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 2vqt_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 KGEELPVNIK HIRETYKEH 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 0.000 175.509 175.510 -0.001 0.000 1.280 28 N CA 0.000 53.050 53.050 -0.001 0.000 0.885 28 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 29 D N -0.717 119.687 120.400 0.007 0.000 2.812 29 D HA 0.342 4.982 4.640 -0.000 0.000 0.318 29 D C 0.466 176.782 176.300 0.027 0.000 1.234 29 D CA 0.486 54.494 54.000 0.012 0.000 0.989 29 D CB 0.674 41.478 40.800 0.007 0.000 1.442 29 D HN 0.043 nan 8.370 nan 0.000 0.537 30 T N -2.687 111.890 114.554 0.039 0.000 3.129 30 T HA 0.195 4.545 4.350 -0.000 0.000 0.251 30 T C 0.752 175.498 174.700 0.076 0.000 1.117 30 T CA 0.285 62.414 62.100 0.049 0.000 1.034 30 T CB -0.831 68.063 68.868 0.045 0.000 0.968 30 T HN 0.560 nan 8.240 nan 0.000 0.526 31 S N 0.488 116.245 115.700 0.094 0.000 2.603 31 S HA 0.327 4.797 4.470 -0.000 0.000 0.268 31 S C -0.262 174.417 174.600 0.132 0.000 1.317 31 S CA -0.852 57.435 58.200 0.145 0.000 1.012 31 S CB 1.232 64.524 63.200 0.154 0.000 0.926 31 S HN 0.564 nan 8.310 nan 0.000 0.539 32 E N 0.914 121.234 120.200 0.200 0.000 2.183 32 E HA 0.542 4.892 4.350 -0.000 0.000 0.271 32 E C -1.609 175.155 176.600 0.273 0.000 0.919 32 E CA -0.897 55.622 56.400 0.199 0.000 0.781 32 E CB 1.579 31.372 29.700 0.156 0.000 1.140 32 E HN 0.549 nan 8.360 nan 0.000 0.402 33 V N 5.763 125.780 119.914 0.172 0.000 2.448 33 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 33 V C -0.085 176.088 176.094 0.131 0.000 1.025 33 V CA -0.667 61.710 62.300 0.129 0.000 0.859 33 V CB 1.575 33.430 31.823 0.053 0.000 0.988 33 V HN 0.772 nan 8.190 nan 0.000 0.431 34 M N 6.342 126.026 119.600 0.139 0.000 2.227 34 M HA 0.605 5.084 4.480 -0.000 0.000 0.335 34 M C -1.741 174.562 176.300 0.006 0.000 1.053 34 M CA -0.553 54.808 55.300 0.101 0.000 0.973 34 M CB 1.421 34.140 32.600 0.198 0.000 1.623 34 M HN 0.510 nan 8.290 nan 0.000 0.434 35 L N 6.034 127.266 121.223 0.016 0.000 2.265 35 L HA 0.356 4.696 4.340 -0.000 0.000 0.288 35 L C -0.564 176.323 176.870 0.027 0.000 1.058 35 L CA -0.400 54.448 54.840 0.014 0.000 0.809 35 L CB 1.096 43.177 42.059 0.037 0.000 1.179 35 L HN 0.739 nan 8.230 nan 0.000 0.429 36 L N 4.666 125.910 121.223 0.035 0.000 2.449 36 L HA 0.167 4.507 4.340 -0.000 0.000 0.255 36 L C -0.058 177.041 176.870 0.381 0.000 1.167 36 L CA -0.117 54.790 54.840 0.112 0.000 1.090 36 L CB -0.005 42.072 42.059 0.030 0.000 1.385 36 L HN 0.700 nan 8.230 nan 0.000 0.411 37 D N -1.063 119.515 120.400 0.297 0.000 2.513 37 D HA 0.073 4.713 4.640 -0.000 0.000 0.222 37 D C 0.366 176.883 176.300 0.361 0.000 1.210 37 D CA -0.076 54.116 54.000 0.320 0.000 0.825 37 D CB 0.586 41.480 40.800 0.157 0.000 1.037 37 D HN 0.321 nan 8.370 nan 0.000 0.506 38 T N -5.195 109.577 114.554 0.365 0.000 2.864 38 T HA 0.564 4.914 4.350 -0.000 0.000 0.299 38 T C 0.863 175.695 174.700 0.221 0.000 1.166 38 T CA -0.384 61.901 62.100 0.309 0.000 1.007 38 T CB 1.704 70.681 68.868 0.182 0.000 1.219 38 T HN 0.415 nan 8.240 nan 0.000 0.506 39 G N -0.490 108.435 108.800 0.207 0.000 2.175 39 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 39 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 39 G C -0.238 174.729 174.900 0.112 0.000 0.982 39 G CA -0.295 44.865 45.100 0.100 0.000 0.641 39 G HN 0.793 nan 8.290 nan 0.000 0.527 40 W N 0.827 122.238 121.300 0.185 0.000 2.303 40 W HA 0.694 5.354 4.660 -0.000 0.000 0.334 40 W C 0.712 177.400 176.519 0.281 0.000 1.197 40 W CA -0.326 57.166 57.345 0.246 0.000 1.262 40 W CB 0.778 30.420 29.460 0.303 0.000 1.153 40 W HN 0.176 nan 8.180 nan 0.000 0.596 41 E N 1.306 121.869 120.200 0.605 0.000 2.429 41 E HA 0.578 4.927 4.350 -0.000 0.000 0.276 41 E C -1.452 175.537 176.600 0.649 0.000 0.953 41 E CA -1.134 55.600 56.400 0.556 0.000 0.787 41 E CB 2.545 32.487 29.700 0.404 0.000 1.307 41 E HN 0.310 nan 8.360 nan 0.000 0.458 42 F N -1.107 118.992 119.950 0.250 0.000 2.626 42 F HA 0.831 5.358 4.527 -0.000 0.000 0.311 42 F C -1.051 174.570 175.800 -0.298 0.000 1.088 42 F CA -0.728 57.134 58.000 -0.230 0.000 0.949 42 F CB 2.156 40.670 39.000 -0.811 0.000 1.322 42 F HN 0.330 nan 8.300 nan 0.000 0.461 43 S N 1.533 116.769 115.700 -0.774 0.000 2.566 43 S HA 0.233 4.703 4.470 -0.000 0.000 0.273 43 S C -1.677 172.641 174.600 -0.470 0.000 1.157 43 S CA -0.672 56.916 58.200 -1.021 0.000 0.938 43 S CB 1.650 63.614 63.200 -2.061 0.000 1.087 43 S HN 1.037 nan 8.310 nan 0.000 0.474 44 Q N 3.130 122.680 119.800 -0.417 0.000 2.281 44 Q HA 0.253 4.593 4.340 -0.000 0.000 0.267 44 Q C -0.284 175.367 176.000 -0.583 0.000 1.053 44 Q CA 0.088 55.444 55.803 -0.745 0.000 0.905 44 Q CB 0.462 28.815 28.738 -0.642 0.000 1.195 44 Q HN 0.649 nan 8.270 nan 0.000 0.398 45 S N 2.858 118.217 115.700 -0.568 0.000 2.575 45 S HA 0.211 4.681 4.470 -0.000 0.000 0.295 45 S C 0.985 175.444 174.600 -0.235 0.000 1.267 45 S CA 1.214 59.212 58.200 -0.336 0.000 1.074 45 S CB 0.013 63.047 63.200 -0.277 0.000 0.829 45 S HN 1.019 nan 8.310 nan 0.000 0.497 46 G N 2.685 111.397 108.800 -0.147 0.000 2.232 46 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.226 46 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.226 46 G C 0.892 175.721 174.900 -0.119 0.000 0.996 46 G CA 0.897 45.938 45.100 -0.098 0.000 0.626 46 G HN 1.015 nan 8.290 nan 0.000 0.509 47 T N -1.745 112.697 114.554 -0.187 0.000 3.054 47 T HA 0.346 4.696 4.350 -0.000 0.000 0.259 47 T C 1.189 175.798 174.700 -0.152 0.000 1.092 47 T CA 1.378 63.373 62.100 -0.175 0.000 1.121 47 T CB -0.176 68.562 68.868 -0.218 0.000 0.912 47 T HN 0.956 nan 8.240 nan 0.000 0.489 48 E N -0.006 120.091 120.200 -0.172 0.000 3.370 48 E HA -0.196 4.154 4.350 -0.000 0.000 0.291 48 E C 0.015 176.557 176.600 -0.097 0.000 0.916 48 E CA 0.709 57.071 56.400 -0.062 0.000 0.981 48 E CB -1.305 28.422 29.700 0.046 0.000 1.498 48 E HN 0.621 nan 8.360 nan 0.000 0.452 49 K N 0.741 120.955 120.400 -0.309 0.000 2.265 49 K HA 0.373 4.693 4.320 -0.000 0.000 0.267 49 K C -1.154 175.155 176.600 -0.485 0.000 0.994 49 K CA -0.557 55.583 56.287 -0.244 0.000 0.860 49 K CB 0.713 33.096 32.500 -0.195 0.000 1.099 49 K HN -0.018 nan 8.250 nan 0.000 0.448 50 W N 4.686 125.897 121.300 -0.149 0.000 2.627 50 W HA 0.475 5.135 4.660 0.000 0.000 0.339 50 W C -0.125 176.279 176.519 -0.192 0.000 1.058 50 W CA -0.795 56.444 57.345 -0.178 0.000 1.223 50 W CB 1.495 30.908 29.460 -0.079 0.000 1.389 50 W HN 0.178 nan 8.180 nan 0.000 0.541 51 M N 2.536 122.136 119.600 -0.000 0.000 2.569 51 M HA 0.339 4.819 4.480 -0.000 0.000 0.279 51 M C -2.691 173.796 176.300 0.311 0.000 1.253 51 M CA -2.254 53.034 55.300 -0.019 0.000 0.867 51 M CB 1.768 34.145 32.600 -0.372 0.000 1.727 51 M HN 0.000 nan 8.290 nan 0.000 0.467 52 P HA 0.302 nan 4.420 nan 0.000 0.268 52 P C -1.166 176.499 177.300 0.609 0.000 1.205 52 P CA 0.030 63.407 63.100 0.461 0.000 0.771 52 P CB 0.595 32.526 31.700 0.385 0.000 0.858 53 A N 2.352 125.473 122.820 0.503 0.000 2.386 53 A HA 0.771 5.091 4.320 -0.000 0.000 0.308 53 A C -0.615 177.122 177.584 0.254 0.000 1.128 53 A CA -0.384 51.869 52.037 0.361 0.000 0.789 53 A CB 0.968 20.265 19.000 0.494 0.000 1.325 53 A HN 0.410 nan 8.150 nan 0.000 0.437 54 T N 0.774 115.385 114.554 0.096 0.000 2.797 54 T HA 0.583 4.933 4.350 -0.000 0.000 0.279 54 T C -0.888 173.762 174.700 -0.083 0.000 0.991 54 T CA -0.290 61.837 62.100 0.044 0.000 0.979 54 T CB 1.184 70.058 68.868 0.010 0.000 0.943 54 T HN 0.527 nan 8.240 nan 0.000 0.444 55 V N 5.455 125.279 119.914 -0.150 0.000 2.577 55 V HA 0.405 4.525 4.120 -0.000 0.000 0.303 55 V C -2.307 173.694 176.094 -0.156 0.000 1.042 55 V CA -2.013 60.079 62.300 -0.346 0.000 0.872 55 V CB 1.904 33.105 31.823 -1.037 0.000 0.998 55 V HN 0.696 nan 8.190 nan 0.000 0.423 56 P HA 0.554 nan 4.420 nan 0.000 0.272 56 P C 0.142 177.368 177.300 -0.123 0.000 1.223 56 P CA 0.298 63.312 63.100 -0.144 0.000 0.784 56 P CB 0.925 32.583 31.700 -0.069 0.000 0.923 57 G N -0.264 108.443 108.800 -0.155 0.000 2.490 57 G HA2 0.596 4.556 3.960 -0.000 0.000 0.308 57 G HA3 0.596 4.556 3.960 -0.000 0.000 0.308 57 G C -1.473 173.319 174.900 -0.180 0.000 1.286 57 G CA -0.401 44.620 45.100 -0.132 0.000 0.825 57 G HN 0.627 nan 8.290 nan 0.000 0.479 58 T N -2.590 111.848 114.554 -0.193 0.000 2.906 58 T HA 0.562 4.912 4.350 -0.000 0.000 0.295 58 T C 1.084 175.595 174.700 -0.316 0.000 1.075 58 T CA 0.026 61.982 62.100 -0.240 0.000 1.005 58 T CB 1.579 70.356 68.868 -0.151 0.000 1.136 58 T HN 0.726 nan 8.240 nan 0.000 0.498 59 V N 1.014 120.684 119.914 -0.407 0.000 2.332 59 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 59 V C 2.468 178.148 176.094 -0.690 0.000 1.055 59 V CA 2.114 64.024 62.300 -0.650 0.000 1.038 59 V CB -1.274 29.923 31.823 -1.044 0.000 0.651 59 V HN 0.973 nan 8.190 nan 0.000 0.450 60 H N -0.458 118.308 119.070 -0.507 0.000 2.352 60 H HA -0.201 4.355 4.556 -0.000 0.000 0.299 60 H C 2.328 177.471 175.328 -0.309 0.000 1.097 60 H CA 2.025 57.833 56.048 -0.400 0.000 1.311 60 H CB -0.141 29.418 29.762 -0.337 0.000 1.377 60 H HN 0.386 nan 8.280 nan 0.000 0.504 61 Q N 0.563 120.259 119.800 -0.173 0.000 2.123 61 Q HA -0.106 4.234 4.340 -0.000 0.000 0.199 61 Q C 1.336 177.206 176.000 -0.217 0.000 0.966 61 Q CA 1.429 57.136 55.803 -0.161 0.000 0.845 61 Q CB 0.046 28.711 28.738 -0.121 0.000 0.907 61 Q HN 0.417 nan 8.270 nan 0.000 0.439 62 D N -0.123 120.061 120.400 -0.361 0.000 2.117 62 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 62 D C 1.833 177.994 176.300 -0.232 0.000 0.987 62 D CA 1.079 54.783 54.000 -0.493 0.000 0.829 62 D CB -0.050 40.056 40.800 -1.158 0.000 0.961 62 D HN 0.319 nan 8.370 nan 0.000 0.460 63 L N 0.451 121.549 121.223 -0.207 0.000 2.027 63 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 63 L C 2.604 179.522 176.870 0.080 0.000 1.074 63 L CA 0.618 55.507 54.840 0.080 0.000 0.745 63 L CB -0.296 41.737 42.059 -0.042 0.000 0.898 63 L HN -0.027 nan 8.230 nan 0.000 0.433 64 I N -0.168 120.387 120.570 -0.024 0.000 2.194 64 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 64 I C 2.712 178.820 176.117 -0.015 0.000 1.093 64 I CA 1.795 63.089 61.300 -0.011 0.000 1.355 64 I CB -0.341 37.626 38.000 -0.054 0.000 1.046 64 I HN 0.352 nan 8.210 nan 0.000 0.413 65 S N -0.554 115.094 115.700 -0.086 0.000 2.515 65 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 65 S C 1.426 175.890 174.600 -0.227 0.000 0.987 65 S CA 0.687 58.788 58.200 -0.166 0.000 0.936 65 S CB -0.355 62.698 63.200 -0.246 0.000 0.766 65 S HN 0.481 nan 8.310 nan 0.000 0.528 66 H N 1.506 120.634 119.070 0.096 0.000 2.487 66 H HA 0.310 4.866 4.556 -0.000 0.000 0.290 66 H C -0.196 175.195 175.328 0.105 0.000 1.081 66 H CA 0.154 56.275 56.048 0.120 0.000 1.116 66 H CB -0.323 29.545 29.762 0.178 0.000 1.560 66 H HN 0.622 nan 8.280 nan 0.000 0.548 67 E N 0.956 121.248 120.200 0.154 0.000 2.238 67 E HA -0.221 4.128 4.350 -0.000 0.000 0.219 67 E C 0.375 177.073 176.600 0.164 0.000 1.275 67 E CA 0.078 56.556 56.400 0.130 0.000 0.714 67 E CB -1.343 28.419 29.700 0.102 0.000 1.154 67 E HN 0.505 nan 8.360 nan 0.000 0.363 68 L N -0.455 120.893 121.223 0.208 0.000 2.640 68 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 68 L C 0.665 177.711 176.870 0.294 0.000 1.123 68 L CA 0.253 55.243 54.840 0.251 0.000 0.900 68 L CB 0.336 42.583 42.059 0.313 0.000 1.146 68 L HN 0.159 nan 8.230 nan 0.000 0.484 69 L N -0.360 120.990 121.223 0.211 0.000 2.393 69 L HA 0.528 4.868 4.340 -0.000 0.000 0.260 69 L C -2.352 174.604 176.870 0.143 0.000 1.002 69 L CA -1.764 53.197 54.840 0.201 0.000 0.818 69 L CB 2.693 44.818 42.059 0.110 0.000 1.369 69 L HN -0.214 nan 8.230 nan 0.000 0.412 70 P HA 0.097 nan 4.420 nan 0.000 0.279 70 P C -0.973 176.390 177.300 0.104 0.000 1.276 70 P CA -0.598 62.577 63.100 0.126 0.000 0.801 70 P CB 0.427 32.220 31.700 0.155 0.000 1.127 71 N N 1.819 120.583 118.700 0.106 0.000 2.418 71 N HA -0.033 4.707 4.740 -0.000 0.000 0.277 71 N C -1.316 174.297 175.510 0.171 0.000 1.317 71 N CA -1.313 51.802 53.050 0.108 0.000 0.922 71 N CB -0.182 38.400 38.487 0.159 0.000 1.194 71 N HN 0.191 nan 8.380 nan 0.000 0.485 72 P HA -0.087 nan 4.420 nan 0.000 0.223 72 P C 0.674 178.225 177.300 0.417 0.000 1.151 72 P CA 0.947 64.119 63.100 0.120 0.000 0.787 72 P CB 0.027 31.680 31.700 -0.077 0.000 0.788 73 F N -2.068 118.073 119.950 0.318 0.000 2.743 73 F HA 0.161 4.687 4.527 -0.000 0.000 0.297 73 F C 1.306 177.466 175.800 0.600 0.000 1.131 73 F CA -1.116 57.187 58.000 0.504 0.000 1.426 73 F CB -1.373 37.856 39.000 0.382 0.000 1.116 73 F HN -0.116 nan 8.300 nan 0.000 0.583 74 Y N 0.496 121.123 120.300 0.545 0.000 2.299 74 Y HA 0.483 5.033 4.550 -0.000 0.000 0.326 74 Y C 1.190 177.356 175.900 0.444 0.000 1.164 74 Y CA 0.206 58.574 58.100 0.447 0.000 1.234 74 Y CB 0.606 39.247 38.460 0.302 0.000 1.219 74 Y HN 0.285 nan 8.280 nan 0.000 0.497 75 G N 4.341 112.966 108.800 -0.291 0.000 2.622 75 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.307 75 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.307 75 G C 0.382 175.434 174.900 0.254 0.000 1.226 75 G CA 0.672 45.743 45.100 -0.048 0.000 0.997 75 G HN 0.590 nan 8.290 nan 0.000 0.551 76 M N 1.968 121.703 119.600 0.225 0.000 2.560 76 M HA 0.211 4.691 4.480 -0.000 0.000 0.297 76 M C 1.575 177.988 176.300 0.189 0.000 1.201 76 M CA -0.158 55.255 55.300 0.188 0.000 0.973 76 M CB -0.334 32.352 32.600 0.143 0.000 1.401 76 M HN 0.429 nan 8.290 nan 0.000 0.497 77 N N 1.412 120.259 118.700 0.245 0.000 2.519 77 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 77 N C 1.544 177.154 175.510 0.166 0.000 1.062 77 N CA 0.781 53.967 53.050 0.227 0.000 0.910 77 N CB -0.069 38.587 38.487 0.283 0.000 0.958 77 N HN 0.554 nan 8.380 nan 0.000 0.445 78 E N 1.253 121.528 120.200 0.126 0.000 2.058 78 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 78 E C 2.094 178.727 176.600 0.054 0.000 0.997 78 E CA 1.874 58.300 56.400 0.044 0.000 0.801 78 E CB 0.038 29.720 29.700 -0.030 0.000 0.746 78 E HN 0.390 nan 8.360 nan 0.000 0.450 79 K N 1.387 121.833 120.400 0.076 0.000 2.147 79 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 79 K C 1.858 178.536 176.600 0.130 0.000 1.049 79 K CA 1.683 58.021 56.287 0.085 0.000 0.936 79 K CB -0.594 31.953 32.500 0.078 0.000 0.722 79 K HN 0.179 nan 8.250 nan 0.000 0.446 80 K N -0.110 120.383 120.400 0.154 0.000 2.366 80 K HA 0.116 4.436 4.320 -0.000 0.000 0.198 80 K C 1.802 178.577 176.600 0.293 0.000 1.044 80 K CA 1.291 57.708 56.287 0.217 0.000 0.973 80 K CB -0.084 32.535 32.500 0.199 0.000 0.767 80 K HN 0.711 nan 8.250 nan 0.000 0.475 81 I N -2.621 118.053 120.570 0.173 0.000 4.018 81 I HA 0.073 4.243 4.170 -0.000 0.000 0.337 81 I C 1.233 177.301 176.117 -0.082 0.000 1.327 81 I CA -0.163 61.165 61.300 0.047 0.000 1.100 81 I CB 0.349 38.372 38.000 0.038 0.000 1.025 81 I HN -0.180 nan 8.210 nan 0.000 0.396 82 Q N 1.854 121.688 119.800 0.057 0.000 2.226 82 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 82 Q C 1.877 177.927 176.000 0.084 0.000 0.975 82 Q CA 1.884 57.723 55.803 0.060 0.000 0.866 82 Q CB -0.517 28.283 28.738 0.104 0.000 0.915 82 Q HN 0.927 nan 8.270 nan 0.000 0.440 83 W N 0.195 121.563 121.300 0.114 0.000 2.350 83 W HA -0.131 4.529 4.660 -0.000 0.000 0.289 83 W C 1.426 178.041 176.519 0.160 0.000 1.215 83 W CA 0.772 58.186 57.345 0.116 0.000 1.236 83 W CB -1.170 28.349 29.460 0.098 0.000 1.130 83 W HN -0.116 nan 8.180 nan 0.000 0.541 84 V N 2.836 122.415 119.914 -0.558 0.000 2.380 84 V HA -0.365 3.755 4.120 -0.000 0.000 0.251 84 V C 2.725 178.851 176.094 0.053 0.000 1.063 84 V CA 2.810 64.817 62.300 -0.488 0.000 1.055 84 V CB -1.233 29.969 31.823 -1.036 0.000 0.657 84 V HN 0.372 nan 8.190 nan 0.000 0.455 85 E N 0.303 120.530 120.200 0.044 0.000 2.268 85 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 85 E C 1.522 178.219 176.600 0.161 0.000 0.995 85 E CA 1.338 57.804 56.400 0.109 0.000 0.836 85 E CB -0.340 29.393 29.700 0.056 0.000 0.763 85 E HN 0.604 nan 8.360 nan 0.000 0.491 86 N N 0.650 119.458 118.700 0.181 0.000 2.412 86 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 86 N C -0.087 175.502 175.510 0.133 0.000 1.101 86 N CA 0.475 53.625 53.050 0.167 0.000 0.881 86 N CB 0.292 38.887 38.487 0.179 0.000 0.969 86 N HN 0.229 nan 8.380 nan 0.000 0.459 87 E N 0.704 120.982 120.200 0.131 0.000 2.232 87 E HA 0.269 4.619 4.350 -0.000 0.000 0.265 87 E C -0.603 175.860 176.600 -0.229 0.000 1.001 87 E CA -0.386 55.944 56.400 -0.116 0.000 0.870 87 E CB 1.099 30.596 29.700 -0.339 0.000 1.175 87 E HN -0.024 nan 8.360 nan 0.000 0.407 88 D N 0.111 120.255 120.400 -0.427 0.000 2.217 88 D HA 0.420 5.060 4.640 -0.000 0.000 0.248 88 D C -0.742 175.114 176.300 -0.740 0.000 1.008 88 D CA -0.203 53.589 54.000 -0.347 0.000 0.914 88 D CB 0.737 41.411 40.800 -0.210 0.000 1.182 88 D HN 0.185 nan 8.370 nan 0.000 0.451 89 W N 0.493 121.718 121.300 -0.124 0.000 2.883 89 W HA 0.388 5.048 4.660 -0.000 0.000 0.335 89 W C 0.087 176.617 176.519 0.019 0.000 1.083 89 W CA -0.748 56.576 57.345 -0.035 0.000 1.233 89 W CB 1.404 30.938 29.460 0.125 0.000 1.412 89 W HN 0.050 nan 8.180 nan 0.000 0.490 90 E N 1.538 121.834 120.200 0.160 0.000 2.195 90 E HA 0.500 4.850 4.350 -0.000 0.000 0.271 90 E C -1.513 175.345 176.600 0.430 0.000 0.923 90 E CA -1.047 55.540 56.400 0.312 0.000 0.790 90 E CB 2.137 31.971 29.700 0.223 0.000 1.155 90 E HN 0.375 nan 8.360 nan 0.000 0.402 91 Y N 0.923 121.639 120.300 0.693 0.000 2.499 91 Y HA 0.492 5.042 4.550 -0.000 0.000 0.347 91 Y C -0.063 176.179 175.900 0.570 0.000 0.987 91 Y CA -0.936 57.628 58.100 0.773 0.000 1.044 91 Y CB 1.957 40.888 38.460 0.786 0.000 1.245 91 Y HN 0.444 nan 8.280 nan 0.000 0.461 92 R N 0.191 120.986 120.500 0.492 0.000 2.707 92 R HA 0.851 5.191 4.340 -0.000 0.000 0.272 92 R C -1.761 174.421 176.300 -0.197 0.000 1.011 92 R CA -0.860 55.136 56.100 -0.172 0.000 0.893 92 R CB 2.300 31.926 30.300 -1.123 0.000 1.233 92 R HN 0.622 nan 8.270 nan 0.000 0.464 93 T N -0.026 114.246 114.554 -0.470 0.000 2.843 93 T HA 0.555 4.905 4.350 -0.000 0.000 0.302 93 T C -1.333 173.228 174.700 -0.233 0.000 1.232 93 T CA -0.308 61.472 62.100 -0.532 0.000 1.009 93 T CB 1.768 69.844 68.868 -1.320 0.000 1.254 93 T HN 0.859 nan 8.240 nan 0.000 0.504 94 S N 1.572 117.190 115.700 -0.136 0.000 2.634 94 S HA 0.983 5.453 4.470 -0.000 0.000 0.296 94 S C -1.158 173.441 174.600 -0.002 0.000 1.104 94 S CA -0.748 57.369 58.200 -0.137 0.000 0.920 94 S CB 1.574 64.665 63.200 -0.182 0.000 1.111 94 S HN 1.055 nan 8.310 nan 0.000 0.493 95 F N -1.060 118.790 119.950 -0.166 0.000 2.719 95 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 95 F C -1.706 174.047 175.800 -0.079 0.000 1.138 95 F CA -1.503 56.440 58.000 -0.095 0.000 0.943 95 F CB 0.704 39.670 39.000 -0.057 0.000 1.304 95 F HN 0.443 nan 8.300 nan 0.000 0.445 96 I N 2.936 123.582 120.570 0.126 0.000 2.437 96 I HA 0.600 4.770 4.170 -0.000 0.000 0.298 96 I C -0.408 175.790 176.117 0.135 0.000 0.984 96 I CA -1.106 60.209 61.300 0.024 0.000 1.214 96 I CB 1.410 39.420 38.000 0.017 0.000 1.365 96 I HN 0.530 nan 8.210 nan 0.000 0.469 97 V N 4.537 124.488 119.914 0.061 0.000 2.540 97 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 97 V C 0.317 176.418 176.094 0.011 0.000 1.035 97 V CA -0.642 61.719 62.300 0.102 0.000 0.873 97 V CB 1.964 33.916 31.823 0.215 0.000 0.992 97 V HN 0.937 nan 8.190 nan 0.000 0.428 98 S N 2.082 117.758 115.700 -0.041 0.000 2.632 98 S HA 0.286 4.756 4.470 -0.000 0.000 0.271 98 S C 1.103 175.678 174.600 -0.042 0.000 1.260 98 S CA 0.094 58.262 58.200 -0.054 0.000 1.010 98 S CB 1.401 64.548 63.200 -0.089 0.000 0.965 98 S HN 0.939 nan 8.310 nan 0.000 0.534 99 E N 1.121 121.302 120.200 -0.031 0.000 2.130 99 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 99 E C 1.274 177.855 176.600 -0.031 0.000 0.998 99 E CA 1.906 58.293 56.400 -0.022 0.000 0.806 99 E CB -0.337 29.352 29.700 -0.019 0.000 0.738 99 E HN 0.792 nan 8.360 nan 0.000 0.459 100 E N 0.597 120.765 120.200 -0.053 0.000 2.047 100 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 100 E C 2.219 178.768 176.600 -0.085 0.000 0.987 100 E CA 1.637 57.999 56.400 -0.063 0.000 0.799 100 E CB -0.103 29.552 29.700 -0.076 0.000 0.752 100 E HN 0.390 nan 8.360 nan 0.000 0.449 101 Q N 0.050 119.757 119.800 -0.156 0.000 2.096 101 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 101 Q C 2.188 178.207 176.000 0.030 0.000 0.982 101 Q CA 1.059 56.717 55.803 -0.242 0.000 0.850 101 Q CB -0.171 28.224 28.738 -0.572 0.000 0.901 101 Q HN 0.287 nan 8.270 nan 0.000 0.422 102 L N 0.829 122.077 121.223 0.042 0.000 2.265 102 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 102 L C 1.385 178.281 176.870 0.044 0.000 1.117 102 L CA 0.479 55.364 54.840 0.075 0.000 0.782 102 L CB -0.228 41.861 42.059 0.051 0.000 0.914 102 L HN 0.270 nan 8.230 nan 0.000 0.441 103 N N -0.456 118.255 118.700 0.017 0.000 2.336 103 N HA 0.020 4.759 4.740 -0.000 0.000 0.189 103 N C 0.269 175.777 175.510 -0.003 0.000 1.113 103 N CA 0.148 53.200 53.050 0.003 0.000 0.858 103 N CB 0.223 38.706 38.487 -0.007 0.000 0.970 103 N HN 0.125 nan 8.380 nan 0.000 0.471 104 R N 1.158 121.667 120.500 0.014 0.000 2.694 104 R HA 0.033 4.373 4.340 -0.000 0.000 0.268 104 R C 0.835 177.083 176.300 -0.086 0.000 1.061 104 R CA -0.134 55.959 56.100 -0.012 0.000 1.133 104 R CB 0.334 30.670 30.300 0.060 0.000 1.020 104 R HN 0.059 nan 8.270 nan 0.000 0.475 105 D N 0.337 120.648 120.400 -0.150 0.000 2.149 105 D HA -0.045 4.595 4.640 -0.000 0.000 0.198 105 D C 0.819 176.930 176.300 -0.315 0.000 0.990 105 D CA 1.484 55.372 54.000 -0.188 0.000 0.839 105 D CB 0.146 40.849 40.800 -0.162 0.000 0.948 105 D HN 0.641 nan 8.370 nan 0.000 0.460 106 G N -0.532 107.881 108.800 -0.645 0.000 2.682 106 G HA2 0.616 4.576 3.960 -0.000 0.000 0.300 106 G HA3 0.616 4.576 3.960 -0.000 0.000 0.300 106 G C -1.204 173.342 174.900 -0.591 0.000 1.391 106 G CA -0.603 44.009 45.100 -0.813 0.000 0.990 106 G HN 0.017 nan 8.290 nan 0.000 0.501 107 I N 1.112 121.585 120.570 -0.163 0.000 2.500 107 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 107 I C -0.527 175.574 176.117 -0.027 0.000 1.063 107 I CA -0.556 60.674 61.300 -0.117 0.000 1.062 107 I CB 2.285 40.193 38.000 -0.153 0.000 1.223 107 I HN 0.308 nan 8.210 nan 0.000 0.435 108 Q N 4.692 124.485 119.800 -0.012 0.000 2.282 108 Q HA 0.575 4.915 4.340 -0.000 0.000 0.260 108 Q C -1.210 174.713 176.000 -0.129 0.000 0.964 108 Q CA -0.970 54.822 55.803 -0.018 0.000 0.880 108 Q CB 3.215 31.955 28.738 0.005 0.000 1.286 108 Q HN 0.420 nan 8.270 nan 0.000 0.445 109 L N 3.805 124.972 121.223 -0.092 0.000 2.272 109 L HA 0.499 4.838 4.340 -0.000 0.000 0.289 109 L C -1.447 175.324 176.870 -0.165 0.000 1.032 109 L CA -0.104 54.634 54.840 -0.171 0.000 0.810 109 L CB 0.952 42.944 42.059 -0.113 0.000 1.205 109 L HN 0.532 nan 8.230 nan 0.000 0.422 110 I N 5.495 125.901 120.570 -0.273 0.000 2.406 110 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 110 I C -1.039 174.882 176.117 -0.326 0.000 0.999 110 I CA -0.034 61.163 61.300 -0.170 0.000 1.124 110 I CB 1.379 39.323 38.000 -0.094 0.000 1.289 110 I HN 0.363 nan 8.210 nan 0.000 0.441 111 F N 4.762 124.759 119.950 0.078 0.000 2.347 111 F HA 0.348 4.875 4.527 0.000 0.000 0.366 111 F C 1.365 177.178 175.800 0.022 0.000 1.107 111 F CA -0.448 57.603 58.000 0.086 0.000 1.058 111 F CB 1.156 40.264 39.000 0.180 0.000 1.236 111 F HN 0.527 nan 8.300 nan 0.000 0.456 112 E N 2.077 122.323 120.200 0.077 0.000 2.338 112 E HA 0.119 4.469 4.350 -0.000 0.000 0.197 112 E C 0.790 177.311 176.600 -0.132 0.000 1.007 112 E CA 0.358 56.739 56.400 -0.031 0.000 0.849 112 E CB 0.292 29.944 29.700 -0.080 0.000 0.774 112 E HN 0.723 nan 8.360 nan 0.000 0.506 113 G N 0.412 109.160 108.800 -0.086 0.000 2.682 113 G HA2 0.447 4.407 3.960 -0.000 0.000 0.300 113 G HA3 0.447 4.407 3.960 -0.000 0.000 0.300 113 G C -1.559 173.515 174.900 0.291 0.000 1.396 113 G CA -0.815 44.249 45.100 -0.060 0.000 1.104 113 G HN -0.045 nan 8.290 nan 0.000 0.587 114 L N 2.034 123.551 121.223 0.490 0.000 2.356 114 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 114 L C -1.105 175.995 176.870 0.384 0.000 0.996 114 L CA -0.882 54.231 54.840 0.455 0.000 0.822 114 L CB 2.458 44.628 42.059 0.184 0.000 1.256 114 L HN 0.489 nan 8.230 nan 0.000 0.413 115 D N 1.539 122.123 120.400 0.306 0.000 2.472 115 D HA 0.377 5.017 4.640 -0.000 0.000 0.234 115 D C 0.047 176.417 176.300 0.117 0.000 1.088 115 D CA -0.111 53.869 54.000 -0.035 0.000 0.882 115 D CB 1.438 42.055 40.800 -0.305 0.000 1.037 115 D HN 0.514 nan 8.370 nan 0.000 0.520 116 T N 2.087 116.753 114.554 0.186 0.000 3.449 116 T HA 0.061 4.411 4.350 -0.000 0.000 0.268 116 T C -0.040 174.585 174.700 -0.124 0.000 0.996 116 T CA 0.097 62.145 62.100 -0.085 0.000 1.125 116 T CB -0.106 68.546 68.868 -0.359 0.000 1.172 116 T HN 0.221 nan 8.240 nan 0.000 0.430 117 Y N 2.883 123.317 120.300 0.223 0.000 2.636 117 Y HA 0.666 5.216 4.550 -0.000 0.000 0.341 117 Y C 0.306 176.344 175.900 0.230 0.000 1.169 117 Y CA -1.096 57.128 58.100 0.206 0.000 1.498 117 Y CB -0.191 38.411 38.460 0.237 0.000 1.362 117 Y HN 0.205 nan 8.280 nan 0.000 0.494 118 A N 2.184 125.051 122.820 0.079 0.000 2.330 118 A HA 0.596 4.916 4.320 -0.000 0.000 0.313 118 A C -0.972 176.498 177.584 -0.190 0.000 1.124 118 A CA -0.902 50.981 52.037 -0.256 0.000 0.774 118 A CB 0.678 19.203 19.000 -0.793 0.000 1.198 118 A HN 0.434 nan 8.150 nan 0.000 0.465 119 D N 2.008 122.357 120.400 -0.085 0.000 2.329 119 D HA 0.420 5.060 4.640 -0.000 0.000 0.232 119 D C -0.629 175.485 176.300 -0.310 0.000 1.088 119 D CA 0.083 53.984 54.000 -0.166 0.000 0.835 119 D CB 1.796 42.632 40.800 0.059 0.000 1.078 119 D HN 0.148 nan 8.370 nan 0.000 0.495 120 V N 3.780 123.415 119.914 -0.464 0.000 2.370 120 V HA 0.270 4.390 4.120 -0.000 0.000 0.283 120 V C -0.806 175.088 176.094 -0.334 0.000 1.023 120 V CA -0.606 61.523 62.300 -0.286 0.000 0.857 120 V CB 0.366 32.005 31.823 -0.307 0.000 0.985 120 V HN 0.363 nan 8.190 nan 0.000 0.443 121 Y N 5.183 125.581 120.300 0.163 0.000 2.350 121 Y HA 0.686 5.236 4.550 -0.000 0.000 0.338 121 Y C -0.342 175.686 175.900 0.214 0.000 0.961 121 Y CA -0.879 57.317 58.100 0.160 0.000 1.100 121 Y CB 1.921 40.471 38.460 0.149 0.000 1.179 121 Y HN 0.501 nan 8.280 nan 0.000 0.454 122 L N 5.046 126.451 121.223 0.304 0.000 2.372 122 L HA 0.530 4.870 4.340 -0.000 0.000 0.273 122 L C -0.485 176.502 176.870 0.194 0.000 0.989 122 L CA -0.586 54.413 54.840 0.266 0.000 0.841 122 L CB 0.760 42.965 42.059 0.245 0.000 1.225 122 L HN 0.728 nan 8.230 nan 0.000 0.414 123 N N 4.271 123.077 118.700 0.178 0.000 2.740 123 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 123 N C 0.957 176.522 175.510 0.092 0.000 1.062 123 N CA 1.364 54.484 53.050 0.117 0.000 0.704 123 N CB -1.264 37.268 38.487 0.075 0.000 0.968 123 N HN 1.254 nan 8.380 nan 0.000 0.547 124 G N -1.834 107.023 108.800 0.095 0.000 2.179 124 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 124 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 124 G C -0.007 174.967 174.900 0.124 0.000 0.977 124 G CA 0.655 45.797 45.100 0.070 0.000 0.641 124 G HN 0.966 nan 8.290 nan 0.000 0.533 125 S N -0.243 115.553 115.700 0.161 0.000 2.437 125 S HA 0.642 5.111 4.470 -0.000 0.000 0.305 125 S C 0.034 174.732 174.600 0.164 0.000 1.109 125 S CA -0.647 57.638 58.200 0.142 0.000 1.099 125 S CB 1.097 64.358 63.200 0.101 0.000 1.004 125 S HN 1.177 nan 8.310 nan 0.000 0.475 126 L N 7.293 128.584 121.223 0.113 0.000 2.407 126 L HA 0.338 4.678 4.340 -0.000 0.000 0.282 126 L C 0.608 177.420 176.870 -0.097 0.000 1.110 126 L CA 0.407 55.187 54.840 -0.101 0.000 0.863 126 L CB -0.165 41.834 42.059 -0.100 0.000 1.207 126 L HN 0.849 nan 8.230 nan 0.000 0.454 127 L N 4.969 126.122 121.223 -0.115 0.000 2.240 127 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 127 L C 0.058 176.869 176.870 -0.098 0.000 1.106 127 L CA 0.294 55.104 54.840 -0.049 0.000 0.793 127 L CB -0.175 41.903 42.059 0.031 0.000 0.927 127 L HN 0.594 nan 8.230 nan 0.000 0.446 128 L N -0.812 120.292 121.223 -0.197 0.000 2.700 128 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 128 L C -1.580 175.116 176.870 -0.290 0.000 0.933 128 L CA -0.447 54.248 54.840 -0.242 0.000 0.920 128 L CB 1.624 43.486 42.059 -0.327 0.000 1.472 128 L HN -0.137 nan 8.230 nan 0.000 0.426 129 K N 4.040 124.302 120.400 -0.230 0.000 2.478 129 K HA 0.770 5.090 4.320 -0.000 0.000 0.236 129 K C -0.439 176.045 176.600 -0.193 0.000 1.021 129 K CA -0.387 55.798 56.287 -0.171 0.000 1.010 129 K CB 1.485 33.938 32.500 -0.080 0.000 1.331 129 K HN 0.739 nan 8.250 nan 0.000 0.470 130 A N 2.293 124.932 122.820 -0.302 0.000 2.407 130 A HA 0.164 4.484 4.320 -0.000 0.000 0.248 130 A C 0.197 177.727 177.584 -0.091 0.000 1.082 130 A CA -0.043 51.782 52.037 -0.353 0.000 0.785 130 A CB 0.190 18.908 19.000 -0.470 0.000 1.020 130 A HN 0.815 nan 8.150 nan 0.000 0.489 131 D N -0.227 120.164 120.400 -0.016 0.000 2.783 131 D HA 0.094 4.734 4.640 -0.000 0.000 0.306 131 D C -0.749 175.470 176.300 -0.134 0.000 1.633 131 D CA -0.287 53.653 54.000 -0.100 0.000 0.796 131 D CB -0.393 40.453 40.800 0.077 0.000 1.230 131 D HN 0.266 nan 8.370 nan 0.000 0.441 132 N N 1.069 119.735 118.700 -0.056 0.000 2.655 132 N HA 0.116 4.855 4.740 -0.000 0.000 0.277 132 N C 0.286 175.735 175.510 -0.101 0.000 1.177 132 N CA -0.270 52.726 53.050 -0.090 0.000 0.882 132 N CB 1.506 39.985 38.487 -0.014 0.000 1.481 132 N HN 0.060 nan 8.380 nan 0.000 0.547 133 M N 2.422 121.812 119.600 -0.350 0.000 2.267 133 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 133 M C -0.041 176.289 176.300 0.050 0.000 1.063 133 M CA 1.725 56.835 55.300 -0.317 0.000 1.090 133 M CB 0.004 32.105 32.600 -0.831 0.000 1.392 133 M HN 0.367 nan 8.290 nan 0.000 0.422 134 F N -0.323 119.763 119.950 0.228 0.000 2.773 134 F HA 0.235 4.762 4.527 -0.000 0.000 0.304 134 F C 0.282 176.111 175.800 0.049 0.000 1.129 134 F CA -0.288 57.893 58.000 0.302 0.000 1.378 134 F CB -0.661 38.555 39.000 0.360 0.000 1.095 134 F HN -0.206 nan 8.300 nan 0.000 0.565 135 V N -0.288 119.577 119.914 -0.081 0.000 2.513 135 V HA 0.706 4.826 4.120 -0.000 0.000 0.299 135 V C 0.578 176.029 176.094 -1.072 0.000 1.035 135 V CA -1.108 60.752 62.300 -0.735 0.000 0.889 135 V CB 1.375 32.788 31.823 -0.683 0.000 0.988 135 V HN 0.176 nan 8.190 nan 0.000 0.440 136 G N 2.798 110.500 108.800 -1.829 0.000 2.377 136 G HA2 0.548 4.508 3.960 -0.000 0.000 0.299 136 G HA3 0.548 4.508 3.960 -0.000 0.000 0.299 136 G C -1.487 172.964 174.900 -0.748 0.000 1.150 136 G CA -0.139 44.403 45.100 -0.930 0.000 0.847 136 G HN 0.512 nan 8.290 nan 0.000 0.501 137 Y N -0.047 120.221 120.300 -0.052 0.000 2.364 137 Y HA 0.479 5.029 4.550 -0.000 0.000 0.340 137 Y C 0.552 176.499 175.900 0.080 0.000 0.975 137 Y CA -0.626 57.492 58.100 0.029 0.000 1.089 137 Y CB 2.687 41.209 38.460 0.103 0.000 1.192 137 Y HN 0.400 nan 8.280 nan 0.000 0.454 138 T N 5.370 120.036 114.554 0.185 0.000 2.786 138 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 138 T C -0.678 174.097 174.700 0.125 0.000 0.992 138 T CA -0.616 61.553 62.100 0.114 0.000 0.954 138 T CB 0.236 69.138 68.868 0.057 0.000 0.934 138 T HN 0.369 nan 8.240 nan 0.000 0.440 139 L N 6.065 127.355 121.223 0.112 0.000 2.343 139 L HA 0.432 4.772 4.340 -0.000 0.000 0.278 139 L C -2.213 174.701 176.870 0.074 0.000 0.996 139 L CA -2.436 52.469 54.840 0.109 0.000 0.831 139 L CB 2.005 44.157 42.059 0.155 0.000 1.232 139 L HN 0.335 nan 8.230 nan 0.000 0.413 140 P HA 0.030 nan 4.420 nan 0.000 0.276 140 P C 0.294 177.628 177.300 0.057 0.000 1.253 140 P CA -0.028 63.112 63.100 0.068 0.000 0.766 140 P CB 1.560 33.302 31.700 0.070 0.000 0.845 141 V N 1.037 120.978 119.914 0.044 0.000 3.398 141 V HA 0.161 4.281 4.120 -0.000 0.000 0.298 141 V C 2.000 178.124 176.094 0.050 0.000 1.496 141 V CA 0.176 62.508 62.300 0.054 0.000 1.044 141 V CB -0.409 31.456 31.823 0.070 0.000 0.880 141 V HN 0.329 nan 8.190 nan 0.000 0.443 142 K N 2.581 122.999 120.400 0.030 0.000 2.044 142 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 142 K C 2.171 178.797 176.600 0.044 0.000 1.049 142 K CA 2.505 58.812 56.287 0.034 0.000 0.927 142 K CB -0.278 32.225 32.500 0.004 0.000 0.713 142 K HN 0.738 nan 8.250 nan 0.000 0.443 143 S N -0.021 115.701 115.700 0.037 0.000 2.555 143 S HA -0.050 4.419 4.470 -0.000 0.000 0.230 143 S C 1.656 176.281 174.600 0.043 0.000 0.978 143 S CA 0.723 58.944 58.200 0.036 0.000 0.934 143 S CB 0.058 63.276 63.200 0.029 0.000 0.766 143 S HN 0.311 nan 8.310 nan 0.000 0.533 144 V N -1.735 118.212 119.914 0.055 0.000 3.643 144 V HA 0.493 4.613 4.120 -0.000 0.000 0.280 144 V C 0.478 176.610 176.094 0.064 0.000 1.351 144 V CA -0.438 61.899 62.300 0.060 0.000 1.073 144 V CB -0.622 31.245 31.823 0.074 0.000 0.863 144 V HN 0.382 nan 8.190 nan 0.000 0.436 145 L N 1.879 123.146 121.223 0.072 0.000 2.417 145 L HA 0.486 4.826 4.340 -0.000 0.000 0.268 145 L C 0.498 177.393 176.870 0.042 0.000 1.158 145 L CA 0.006 54.892 54.840 0.077 0.000 0.819 145 L CB 0.791 42.931 42.059 0.136 0.000 1.112 145 L HN 0.287 nan 8.230 nan 0.000 0.458 146 R N 1.497 122.001 120.500 0.006 0.000 2.803 146 R HA 0.374 4.714 4.340 -0.000 0.000 0.276 146 R C -0.857 175.433 176.300 -0.018 0.000 0.978 146 R CA -1.089 55.005 56.100 -0.011 0.000 0.939 146 R CB 1.944 32.224 30.300 -0.033 0.000 1.179 146 R HN 0.379 nan 8.270 nan 0.000 0.472 147 K N 1.148 121.542 120.400 -0.011 0.000 2.379 147 K HA 0.269 4.589 4.320 -0.000 0.000 0.284 147 K C 0.332 176.909 176.600 -0.039 0.000 1.044 147 K CA 1.056 57.334 56.287 -0.015 0.000 0.974 147 K CB 0.439 32.933 32.500 -0.009 0.000 0.962 147 K HN 0.753 nan 8.250 nan 0.000 0.474 148 G N 3.018 111.789 108.800 -0.048 0.000 2.481 148 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.230 148 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.230 148 G C -0.923 173.891 174.900 -0.143 0.000 1.210 148 G CA -0.542 44.514 45.100 -0.072 0.000 0.936 148 G HN 0.679 nan 8.290 nan 0.000 0.583 149 E N 1.632 121.725 120.200 -0.178 0.000 2.465 149 E HA 0.185 4.534 4.350 -0.000 0.000 0.260 149 E C -0.047 176.258 176.600 -0.492 0.000 0.980 149 E CA 0.341 56.537 56.400 -0.339 0.000 0.927 149 E CB 0.136 29.665 29.700 -0.285 0.000 0.934 149 E HN 0.395 nan 8.360 nan 0.000 0.459 150 N N 2.152 120.372 118.700 -0.801 0.000 2.238 150 N HA 0.297 5.037 4.740 -0.000 0.000 0.302 150 N C -1.125 173.817 175.510 -0.946 0.000 1.072 150 N CA -0.587 51.949 53.050 -0.857 0.000 0.792 150 N CB 1.627 39.421 38.487 -1.156 0.000 1.425 150 N HN 0.394 nan 8.380 nan 0.000 0.478 151 H N 1.545 120.483 119.070 -0.219 0.000 2.727 151 H HA 0.288 4.844 4.556 0.000 0.000 0.330 151 H C -0.817 174.600 175.328 0.148 0.000 0.986 151 H CA -0.541 55.494 56.048 -0.021 0.000 1.251 151 H CB 2.237 32.049 29.762 0.083 0.000 1.493 151 H HN 0.348 nan 8.280 nan 0.000 0.515 152 L N 4.509 125.899 121.223 0.279 0.000 2.296 152 L HA 0.379 4.719 4.340 -0.000 0.000 0.286 152 L C -1.524 175.578 176.870 0.387 0.000 1.023 152 L CA -0.394 54.662 54.840 0.361 0.000 0.812 152 L CB 0.518 42.782 42.059 0.341 0.000 1.223 152 L HN 0.440 nan 8.230 nan 0.000 0.421 153 Y N 5.116 125.615 120.300 0.332 0.000 2.409 153 Y HA 0.667 5.217 4.550 -0.000 0.000 0.343 153 Y C -0.327 175.858 175.900 0.475 0.000 0.973 153 Y CA -0.755 57.580 58.100 0.392 0.000 1.064 153 Y CB 2.046 40.694 38.460 0.312 0.000 1.207 153 Y HN 0.421 nan 8.280 nan 0.000 0.452 154 I N 3.335 124.278 120.570 0.621 0.000 2.498 154 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 154 I C -1.481 174.862 176.117 0.376 0.000 1.032 154 I CA -0.978 60.547 61.300 0.376 0.000 1.073 154 I CB 2.060 40.159 38.000 0.165 0.000 1.251 154 I HN 0.542 nan 8.210 nan 0.000 0.426 155 Y N 6.264 126.636 120.300 0.120 0.000 2.369 155 Y HA 0.482 5.032 4.550 -0.000 0.000 0.337 155 Y C -1.034 174.780 175.900 -0.142 0.000 0.961 155 Y CA -0.551 57.608 58.100 0.097 0.000 1.186 155 Y CB 0.716 39.242 38.460 0.111 0.000 1.139 155 Y HN 0.336 nan 8.280 nan 0.000 0.494 156 F N 5.387 125.343 119.950 0.010 0.000 2.390 156 F HA 0.244 4.771 4.527 -0.000 0.000 0.361 156 F C 0.500 176.329 175.800 0.047 0.000 1.124 156 F CA -0.507 57.570 58.000 0.130 0.000 1.149 156 F CB 0.249 39.376 39.000 0.211 0.000 1.160 156 F HN 0.437 nan 8.300 nan 0.000 0.501 157 H N 1.315 120.669 119.070 0.474 0.000 2.764 157 H HA -0.009 4.547 4.556 -0.000 0.000 0.341 157 H C 0.538 176.075 175.328 0.348 0.000 1.072 157 H CA -0.264 56.027 56.048 0.405 0.000 1.444 157 H CB 1.278 31.230 29.762 0.316 0.000 1.458 157 H HN 0.521 nan 8.280 nan 0.000 0.572 158 S N 4.614 120.525 115.700 0.353 0.000 2.784 158 S HA -0.048 4.422 4.470 -0.000 0.000 0.322 158 S C -1.093 173.675 174.600 0.279 0.000 1.234 158 S CA -1.149 57.221 58.200 0.283 0.000 1.064 158 S CB 0.396 63.712 63.200 0.193 0.000 0.787 158 S HN 0.547 nan 8.310 nan 0.000 0.506 159 P HA -0.079 nan 4.420 nan 0.000 0.226 159 P C 1.411 178.856 177.300 0.243 0.000 1.153 159 P CA 0.555 63.894 63.100 0.398 0.000 0.777 159 P CB -0.005 31.942 31.700 0.413 0.000 0.794 160 I N 0.702 121.376 120.570 0.174 0.000 2.130 160 I HA -0.116 4.054 4.170 -0.000 0.000 0.234 160 I C 2.655 178.807 176.117 0.059 0.000 1.067 160 I CA 1.307 62.669 61.300 0.103 0.000 1.339 160 I CB -1.736 36.307 38.000 0.072 0.000 1.073 160 I HN -0.067 nan 8.210 nan 0.000 0.405 161 R N 0.512 121.055 120.500 0.072 0.000 2.105 161 R HA -0.236 4.104 4.340 -0.000 0.000 0.239 161 R C 2.251 178.546 176.300 -0.009 0.000 1.135 161 R CA 1.395 57.523 56.100 0.047 0.000 0.967 161 R CB -0.442 29.906 30.300 0.080 0.000 0.861 161 R HN 0.389 nan 8.270 nan 0.000 0.442 162 Q N -0.045 119.726 119.800 -0.048 0.000 2.181 162 Q HA -0.127 4.213 4.340 -0.000 0.000 0.205 162 Q C 1.224 177.088 176.000 -0.228 0.000 0.980 162 Q CA 2.072 57.734 55.803 -0.236 0.000 0.862 162 Q CB 0.158 28.546 28.738 -0.584 0.000 0.905 162 Q HN 0.449 nan 8.270 nan 0.000 0.429 163 T N -3.163 111.322 114.554 -0.114 0.000 3.054 163 T HA 0.250 4.600 4.350 -0.000 0.000 0.255 163 T C 1.436 176.088 174.700 -0.080 0.000 1.035 163 T CA -0.249 61.793 62.100 -0.097 0.000 0.941 163 T CB 0.017 68.923 68.868 0.063 0.000 1.026 163 T HN 0.172 nan 8.240 nan 0.000 0.533 164 L N 0.812 122.013 121.223 -0.037 0.000 2.046 164 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 164 L C -0.455 176.421 176.870 0.010 0.000 1.077 164 L CA 1.341 56.193 54.840 0.018 0.000 0.747 164 L CB -1.467 40.609 42.059 0.029 0.000 0.896 164 L HN 0.201 nan 8.230 nan 0.000 0.432 165 P HA -0.212 nan 4.420 nan 0.000 0.215 165 P C 1.565 178.777 177.300 -0.146 0.000 1.153 165 P CA 1.281 64.332 63.100 -0.081 0.000 0.853 165 P CB 0.036 31.682 31.700 -0.090 0.000 0.788 166 Q N -1.700 117.960 119.800 -0.234 0.000 2.084 166 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 166 Q C 2.174 177.835 176.000 -0.565 0.000 0.978 166 Q CA 1.334 56.885 55.803 -0.420 0.000 0.844 166 Q CB -0.590 27.816 28.738 -0.553 0.000 0.898 166 Q HN 0.181 nan 8.270 nan 0.000 0.426 167 Y N 0.332 120.277 120.300 -0.591 0.000 2.114 167 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 167 Y C 2.088 177.884 175.900 -0.172 0.000 1.143 167 Y CA 1.737 59.633 58.100 -0.341 0.000 1.135 167 Y CB -0.775 37.634 38.460 -0.086 0.000 0.980 167 Y HN 0.184 nan 8.280 nan 0.000 0.499 168 A N 0.069 122.755 122.820 -0.224 0.000 1.927 168 A HA -0.324 3.996 4.320 -0.000 0.000 0.220 168 A C 2.490 179.938 177.584 -0.226 0.000 1.185 168 A CA 2.910 54.814 52.037 -0.220 0.000 0.639 168 A CB -1.610 17.353 19.000 -0.061 0.000 0.820 168 A HN 0.674 nan 8.150 nan 0.000 0.451 169 S N -0.423 115.155 115.700 -0.203 0.000 2.453 169 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 169 S C 1.677 176.172 174.600 -0.176 0.000 1.005 169 S CA 1.395 59.498 58.200 -0.161 0.000 0.949 169 S CB -0.583 62.533 63.200 -0.140 0.000 0.774 169 S HN 0.609 nan 8.310 nan 0.000 0.510 170 N N 1.371 119.912 118.700 -0.265 0.000 2.216 170 N HA 0.108 4.848 4.740 -0.000 0.000 0.183 170 N C 1.453 176.800 175.510 -0.271 0.000 1.017 170 N CA 1.581 54.462 53.050 -0.280 0.000 0.861 170 N CB -0.521 37.782 38.487 -0.307 0.000 0.986 170 N HN 0.650 nan 8.380 nan 0.000 0.428 171 G N -1.504 107.141 108.800 -0.258 0.000 2.176 171 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 171 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 171 G C 0.033 174.967 174.900 0.057 0.000 0.979 171 G CA 0.713 45.763 45.100 -0.084 0.000 0.641 171 G HN 0.571 nan 8.290 nan 0.000 0.530 172 F N -1.739 118.142 119.950 -0.114 0.000 2.668 172 F HA 0.762 5.289 4.527 -0.000 0.000 0.309 172 F C -0.893 174.917 175.800 0.017 0.000 1.117 172 F CA -2.029 55.951 58.000 -0.034 0.000 0.951 172 F CB 0.768 39.795 39.000 0.046 0.000 1.323 172 F HN -0.048 nan 8.300 nan 0.000 0.451 173 N N 1.539 120.426 118.700 0.311 0.000 2.408 173 N HA 0.233 4.973 4.740 -0.000 0.000 0.257 173 N C -1.249 174.546 175.510 0.475 0.000 1.064 173 N CA -0.305 52.988 53.050 0.404 0.000 0.952 173 N CB 0.169 38.836 38.487 0.300 0.000 1.093 173 N HN 0.625 nan 8.380 nan 0.000 0.490 174 Y N 3.316 123.792 120.300 0.294 0.000 2.578 174 Y HA 0.096 4.646 4.550 -0.000 0.000 0.339 174 Y C -1.121 174.930 175.900 0.251 0.000 1.231 174 Y CA -1.052 57.160 58.100 0.188 0.000 1.461 174 Y CB 0.596 38.984 38.460 -0.119 0.000 1.323 174 Y HN 0.506 nan 8.280 nan 0.000 0.590 175 P HA 0.124 nan 4.420 nan 0.000 0.218 175 P C -0.920 176.417 177.300 0.061 0.000 1.793 175 P CA 0.051 63.246 63.100 0.159 0.000 0.941 175 P CB -0.409 31.149 31.700 -0.235 0.000 1.919 176 A N 1.430 124.203 122.820 -0.078 0.000 2.922 176 A HA 0.177 4.497 4.320 -0.000 0.000 0.298 176 A C 1.089 178.296 177.584 -0.629 0.000 1.588 176 A CA -0.337 51.509 52.037 -0.319 0.000 1.288 176 A CB -0.307 18.492 19.000 -0.337 0.000 1.130 176 A HN 0.090 nan 8.150 nan 0.000 0.557 177 D N 0.976 121.180 120.400 -0.326 0.000 2.264 177 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 177 D C 0.971 177.086 176.300 -0.308 0.000 0.966 177 D CA 0.858 54.695 54.000 -0.271 0.000 0.864 177 D CB 0.117 40.843 40.800 -0.124 0.000 0.933 177 D HN 0.553 nan 8.370 nan 0.000 0.499 178 N N 1.152 119.546 118.700 -0.509 0.000 2.515 178 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 178 N C 0.198 175.424 175.510 -0.472 0.000 1.109 178 N CA 0.364 52.997 53.050 -0.695 0.000 0.903 178 N CB 0.237 37.630 38.487 -1.822 0.000 0.969 178 N HN 0.150 nan 8.380 nan 0.000 0.450 179 D N 0.839 121.048 120.400 -0.319 0.000 2.365 179 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 179 D C -0.384 175.988 176.300 0.120 0.000 1.190 179 D CA -0.209 53.716 54.000 -0.124 0.000 0.867 179 D CB -0.093 40.589 40.800 -0.196 0.000 1.050 179 D HN 0.246 nan 8.370 nan 0.000 0.491 180 H N 4.397 123.516 119.070 0.081 0.000 2.998 180 H HA 0.137 4.693 4.556 -0.000 0.000 0.241 180 H C -0.082 175.354 175.328 0.180 0.000 1.852 180 H CA -0.174 55.921 56.048 0.079 0.000 1.419 180 H CB 0.018 29.784 29.762 0.007 0.000 1.793 180 H HN 0.316 nan 8.280 nan 0.000 0.553 181 H N 0.816 120.025 119.070 0.231 0.000 3.094 181 H HA -0.029 4.527 4.556 -0.000 0.000 0.346 181 H C 0.596 175.987 175.328 0.104 0.000 1.238 181 H CA -0.479 55.659 56.048 0.149 0.000 1.209 181 H CB 1.504 31.352 29.762 0.145 0.000 1.911 181 H HN 0.527 nan 8.280 nan 0.000 0.540 182 E N 2.786 122.998 120.200 0.020 0.000 2.108 182 E HA -0.169 4.181 4.350 -0.000 0.000 0.203 182 E C -0.431 176.124 176.600 -0.075 0.000 1.022 182 E CA 1.281 57.679 56.400 -0.004 0.000 0.823 182 E CB 0.249 29.924 29.700 -0.041 0.000 0.744 182 E HN 0.383 nan 8.360 nan 0.000 0.456 183 K N 0.153 120.648 120.400 0.157 0.000 2.213 183 K HA 0.229 4.549 4.320 -0.000 0.000 0.270 183 K C -1.102 175.366 176.600 -0.220 0.000 1.002 183 K CA -0.262 55.824 56.287 -0.335 0.000 0.868 183 K CB 1.083 33.208 32.500 -0.626 0.000 1.093 183 K HN 0.197 nan 8.250 nan 0.000 0.454 184 H N 3.842 122.846 119.070 -0.110 0.000 2.820 184 H HA 0.096 4.652 4.556 -0.000 0.000 0.248 184 H C 0.732 175.992 175.328 -0.114 0.000 1.714 184 H CA -0.381 55.623 56.048 -0.073 0.000 1.334 184 H CB 0.123 29.884 29.762 -0.002 0.000 1.693 184 H HN 0.379 nan 8.280 nan 0.000 0.548 185 L N 0.883 122.084 121.223 -0.037 0.000 2.478 185 L HA -0.099 4.240 4.340 -0.000 0.000 0.223 185 L C 2.338 179.133 176.870 -0.125 0.000 1.140 185 L CA 0.463 55.346 54.840 0.072 0.000 0.842 185 L CB -0.195 41.895 42.059 0.051 0.000 0.953 185 L HN 0.564 nan 8.230 nan 0.000 0.452 186 S N 0.378 115.740 115.700 -0.564 0.000 2.382 186 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 186 S C 1.971 176.353 174.600 -0.364 0.000 1.027 186 S CA 1.243 58.842 58.200 -1.002 0.000 0.991 186 S CB -1.103 61.358 63.200 -1.232 0.000 0.823 186 S HN 0.367 nan 8.310 nan 0.000 0.469 187 V N -1.643 118.015 119.914 -0.427 0.000 2.867 187 V HA 0.037 4.157 4.120 -0.000 0.000 0.260 187 V C 1.886 177.745 176.094 -0.392 0.000 1.099 187 V CA 1.198 63.201 62.300 -0.494 0.000 1.122 187 V CB -1.437 29.749 31.823 -1.062 0.000 0.708 187 V HN 0.356 nan 8.190 nan 0.000 0.490 188 F N 1.190 121.129 119.950 -0.018 0.000 2.512 188 F HA 0.284 4.811 4.527 -0.000 0.000 0.296 188 F C 1.525 177.535 175.800 0.349 0.000 1.110 188 F CA 0.402 58.462 58.000 0.100 0.000 1.446 188 F CB -0.333 38.715 39.000 0.080 0.000 1.092 188 F HN 0.107 nan 8.300 nan 0.000 0.554 189 S N 0.757 116.725 115.700 0.447 0.000 2.475 189 S HA 0.427 4.897 4.470 -0.000 0.000 0.298 189 S C 0.070 174.841 174.600 0.285 0.000 1.119 189 S CA -0.824 57.616 58.200 0.399 0.000 1.085 189 S CB 1.212 64.652 63.200 0.400 0.000 1.028 189 S HN -0.066 nan 8.310 nan 0.000 0.489 190 R N 3.224 123.807 120.500 0.138 0.000 2.608 190 R HA 0.326 4.666 4.340 -0.000 0.000 0.277 190 R C -0.106 175.990 176.300 -0.340 0.000 1.341 190 R CA -0.032 56.093 56.100 0.041 0.000 1.199 190 R CB -0.780 29.539 30.300 0.033 0.000 1.156 190 R HN 0.583 nan 8.270 nan 0.000 0.558 191 K N -0.127 120.138 120.400 -0.227 0.000 2.562 191 K HA 0.424 4.744 4.320 -0.000 0.000 0.267 191 K C -1.133 175.489 176.600 0.037 0.000 0.938 191 K CA -0.656 55.416 56.287 -0.357 0.000 0.840 191 K CB 1.981 34.435 32.500 -0.076 0.000 1.390 191 K HN 0.374 nan 8.250 nan 0.000 0.428 192 A N 4.921 127.763 122.820 0.037 0.000 2.550 192 A HA 0.120 4.440 4.320 -0.000 0.000 0.263 192 A C -1.920 175.861 177.584 0.328 0.000 1.065 192 A CA -0.649 51.592 52.037 0.340 0.000 0.786 192 A CB -0.360 18.827 19.000 0.311 0.000 0.985 192 A HN 0.620 nan 8.150 nan 0.000 0.518 193 P HA -0.239 nan 4.420 nan 0.000 0.216 193 P C 1.219 178.766 177.300 0.412 0.000 1.153 193 P CA 2.088 65.385 63.100 0.329 0.000 0.858 193 P CB -0.155 31.661 31.700 0.195 0.000 0.789 194 Y N -0.747 119.641 120.300 0.146 0.000 2.497 194 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 194 Y C 2.058 178.026 175.900 0.114 0.000 1.137 194 Y CA 0.873 59.077 58.100 0.173 0.000 1.285 194 Y CB -1.455 37.123 38.460 0.198 0.000 0.991 194 Y HN -0.041 nan 8.280 nan 0.000 0.556 195 S N -0.412 114.879 115.700 -0.682 0.000 2.419 195 S HA -0.260 4.210 4.470 -0.000 0.000 0.233 195 S C 1.192 175.495 174.600 -0.494 0.000 1.016 195 S CA 1.079 58.808 58.200 -0.785 0.000 0.974 195 S CB -1.242 61.557 63.200 -0.668 0.000 0.786 195 S HN 0.659 nan 8.310 nan 0.000 0.492 196 Y N 2.810 122.977 120.300 -0.221 0.000 2.529 196 Y HA 0.413 4.962 4.550 -0.000 0.000 0.290 196 Y C 1.554 177.301 175.900 -0.255 0.000 1.177 196 Y CA 0.221 58.230 58.100 -0.151 0.000 1.305 196 Y CB -0.363 38.064 38.460 -0.056 0.000 1.047 196 Y HN 0.604 nan 8.280 nan 0.000 0.522 197 G N -0.951 107.711 108.800 -0.230 0.000 2.570 197 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 197 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 197 G C -1.244 173.411 174.900 -0.409 0.000 1.257 197 G CA -0.747 44.020 45.100 -0.556 0.000 0.846 197 G HN 0.182 nan 8.290 nan 0.000 0.627 198 W N -0.226 120.655 121.300 -0.699 0.000 2.826 198 W HA 0.358 5.018 4.660 0.000 0.000 0.410 198 W C -0.129 176.161 176.519 -0.381 0.000 1.128 198 W CA 0.377 57.351 57.345 -0.619 0.000 1.176 198 W CB 1.220 30.040 29.460 -1.067 0.000 1.475 198 W HN 0.792 nan 8.180 nan 0.000 0.588 199 D N -0.427 119.731 120.400 -0.403 0.000 2.328 199 D HA -0.038 4.602 4.640 -0.000 0.000 0.226 199 D C 0.872 177.364 176.300 0.319 0.000 1.066 199 D CA 0.482 54.475 54.000 -0.011 0.000 0.861 199 D CB -0.607 40.185 40.800 -0.013 0.000 0.912 199 D HN 0.440 nan 8.370 nan 0.000 0.521 200 W N -1.100 120.537 121.300 0.561 0.000 2.304 200 W HA 0.588 5.248 4.660 -0.000 0.000 0.326 200 W C -0.150 176.691 176.519 0.537 0.000 0.920 200 W CA -0.843 56.798 57.345 0.493 0.000 1.518 200 W CB 0.109 29.859 29.460 0.482 0.000 1.112 200 W HN -0.015 nan 8.180 nan 0.000 0.528 201 G N 1.694 110.757 108.800 0.439 0.000 2.533 201 G HA2 0.584 4.544 3.960 -0.000 0.000 0.304 201 G HA3 0.584 4.544 3.960 -0.000 0.000 0.304 201 G C -1.499 173.236 174.900 -0.274 0.000 1.263 201 G CA -0.921 44.326 45.100 0.246 0.000 0.964 201 G HN 0.096 nan 8.290 nan 0.000 0.479 202 I N -0.027 119.925 120.570 -1.030 0.000 2.577 202 I HA 0.504 4.674 4.170 -0.000 0.000 0.300 202 I C 0.575 176.374 176.117 -0.531 0.000 0.990 202 I CA -1.118 59.554 61.300 -1.046 0.000 1.283 202 I CB 1.100 38.087 38.000 -1.688 0.000 1.411 202 I HN 0.455 nan 8.210 nan 0.000 0.515 203 R N 7.841 128.135 120.500 -0.342 0.000 2.210 203 R HA 0.365 4.705 4.340 -0.000 0.000 0.338 203 R C -1.052 175.047 176.300 -0.334 0.000 1.062 203 R CA -0.229 55.706 56.100 -0.276 0.000 0.902 203 R CB 0.491 30.729 30.300 -0.104 0.000 1.050 203 R HN 0.756 nan 8.270 nan 0.000 0.461 204 M N 5.991 125.326 119.600 -0.442 0.000 1.949 204 M HA 0.190 4.670 4.480 -0.000 0.000 0.234 204 M C -1.372 174.574 176.300 -0.591 0.000 0.855 204 M CA -0.584 54.373 55.300 -0.572 0.000 0.800 204 M CB 1.507 33.712 32.600 -0.658 0.000 1.697 204 M HN 0.311 nan 8.290 nan 0.000 0.357 205 V N 2.593 122.241 119.914 -0.443 0.000 2.302 205 V HA 0.108 4.228 4.120 -0.000 0.000 0.244 205 V C 0.709 176.666 176.094 -0.228 0.000 1.160 205 V CA 0.377 62.410 62.300 -0.445 0.000 1.127 205 V CB 0.066 31.624 31.823 -0.442 0.000 1.253 205 V HN 0.721 nan 8.190 nan 0.000 0.496 206 T N 3.506 117.885 114.554 -0.293 0.000 2.897 206 T HA 0.626 4.975 4.350 -0.000 0.000 0.278 206 T C 0.107 174.695 174.700 -0.187 0.000 0.981 206 T CA -0.186 61.830 62.100 -0.140 0.000 0.973 206 T CB 1.336 70.092 68.868 -0.186 0.000 1.092 206 T HN 0.646 nan 8.240 nan 0.000 0.543 207 S N -0.862 114.694 115.700 -0.241 0.000 2.651 207 S HA 0.908 5.378 4.470 -0.000 0.000 0.279 207 S C -0.233 174.004 174.600 -0.606 0.000 1.148 207 S CA -0.150 57.843 58.200 -0.344 0.000 0.837 207 S CB 1.761 64.840 63.200 -0.203 0.000 1.138 207 S HN 1.318 nan 8.310 nan 0.000 0.478 208 G N -0.403 107.795 108.800 -1.004 0.000 2.369 208 G HA2 0.195 4.155 3.960 -0.000 0.000 0.295 208 G HA3 0.195 4.155 3.960 -0.000 0.000 0.295 208 G C -1.744 172.846 174.900 -0.517 0.000 1.298 208 G CA -0.684 43.700 45.100 -1.194 0.000 0.940 208 G HN 0.890 nan 8.290 nan 0.000 0.536 209 V N 2.386 122.051 119.914 -0.414 0.000 2.276 209 V HA 0.219 4.339 4.120 -0.000 0.000 0.249 209 V C 1.438 177.506 176.094 -0.043 0.000 1.160 209 V CA 0.252 62.504 62.300 -0.081 0.000 1.042 209 V CB -0.238 31.428 31.823 -0.262 0.000 1.224 209 V HN 0.806 nan 8.190 nan 0.000 0.496 210 W N 4.781 126.017 121.300 -0.107 0.000 2.905 210 W HA 0.289 4.949 4.660 0.000 0.000 0.251 210 W C 0.345 176.867 176.519 0.005 0.000 1.305 210 W CA -0.489 56.814 57.345 -0.069 0.000 1.465 210 W CB 0.146 29.581 29.460 -0.042 0.000 1.122 210 W HN 0.342 nan 8.180 nan 0.000 0.659 211 R N 0.106 120.371 120.500 -0.392 0.000 2.836 211 R HA 0.397 4.737 4.340 -0.000 0.000 0.269 211 R C -2.569 173.619 176.300 -0.187 0.000 1.010 211 R CA -2.042 53.807 56.100 -0.418 0.000 0.930 211 R CB 1.717 31.569 30.300 -0.747 0.000 1.218 211 R HN -0.397 nan 8.270 nan 0.000 0.473 212 P HA 0.068 nan 4.420 nan 0.000 0.270 212 P C -0.965 176.302 177.300 -0.054 0.000 1.223 212 P CA -0.247 62.812 63.100 -0.068 0.000 0.785 212 P CB 0.573 32.242 31.700 -0.052 0.000 0.923 213 V N 1.355 121.243 119.914 -0.042 0.000 2.495 213 V HA 0.665 4.785 4.120 -0.000 0.000 0.298 213 V C 0.185 176.201 176.094 -0.130 0.000 1.031 213 V CA -0.425 61.791 62.300 -0.141 0.000 0.871 213 V CB 1.586 33.368 31.823 -0.069 0.000 0.988 213 V HN 0.746 nan 8.190 nan 0.000 0.432 214 T N 2.179 116.604 114.554 -0.215 0.000 2.909 214 T HA 0.765 5.114 4.350 -0.000 0.000 0.299 214 T C -1.063 173.492 174.700 -0.242 0.000 1.073 214 T CA -0.687 61.311 62.100 -0.172 0.000 0.999 214 T CB 1.702 70.507 68.868 -0.105 0.000 1.098 214 T HN 0.386 nan 8.240 nan 0.000 0.477 215 L N 1.998 123.077 121.223 -0.240 0.000 2.313 215 L HA 0.661 5.001 4.340 -0.000 0.000 0.283 215 L C 0.095 176.771 176.870 -0.323 0.000 1.013 215 L CA -0.939 53.690 54.840 -0.353 0.000 0.816 215 L CB 1.800 43.589 42.059 -0.451 0.000 1.236 215 L HN 0.725 nan 8.230 nan 0.000 0.419 216 R N 3.519 123.806 120.500 -0.356 0.000 2.360 216 R HA 0.491 4.831 4.340 -0.000 0.000 0.318 216 R C -1.692 174.502 176.300 -0.176 0.000 0.950 216 R CA -0.354 55.653 56.100 -0.156 0.000 0.837 216 R CB 0.796 31.067 30.300 -0.049 0.000 1.165 216 R HN 0.299 nan 8.270 nan 0.000 0.458 217 F N 6.297 126.330 119.950 0.137 0.000 2.385 217 F HA 0.381 4.908 4.527 -0.000 0.000 0.360 217 F C -0.339 175.558 175.800 0.161 0.000 1.122 217 F CA -0.567 57.496 58.000 0.105 0.000 1.090 217 F CB 0.855 39.878 39.000 0.038 0.000 1.150 217 F HN 0.485 nan 8.300 nan 0.000 0.472 218 Y N -0.623 119.758 120.300 0.135 0.000 2.669 218 Y HA 0.730 5.280 4.550 -0.001 0.000 0.335 218 Y C -1.340 174.598 175.900 0.065 0.000 1.116 218 Y CA -1.566 56.583 58.100 0.082 0.000 1.081 218 Y CB 1.293 39.776 38.460 0.038 0.000 1.297 218 Y HN 0.304 nan 8.280 nan 0.000 0.484 219 D N 1.698 122.184 120.400 0.142 0.000 2.342 219 D HA 0.398 5.038 4.640 -0.000 0.000 0.243 219 D C 0.624 177.016 176.300 0.153 0.000 1.019 219 D CA -0.156 53.871 54.000 0.044 0.000 0.864 219 D CB 2.175 42.997 40.800 0.037 0.000 1.315 219 D HN 0.766 nan 8.370 nan 0.000 0.468 220 I N -0.763 119.855 120.570 0.081 0.000 4.624 220 I HA -0.361 3.809 4.170 -0.000 0.000 0.049 220 I C 0.433 176.664 176.117 0.189 0.000 0.621 220 I CA 1.592 62.954 61.300 0.104 0.000 0.836 220 I CB -1.871 36.173 38.000 0.074 0.000 0.765 220 I HN 0.669 nan 8.210 nan 0.000 0.159 221 A N 0.364 123.349 122.820 0.276 0.000 2.608 221 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 221 A C -0.151 177.435 177.584 0.002 0.000 1.066 221 A CA 0.373 52.512 52.037 0.170 0.000 0.676 221 A CB 1.484 20.520 19.000 0.060 0.000 1.277 221 A HN 0.655 nan 8.150 nan 0.000 0.413 222 T N -0.938 113.493 114.554 -0.206 0.000 2.912 222 T HA 0.727 5.077 4.350 -0.000 0.000 0.288 222 T C -0.266 174.342 174.700 -0.152 0.000 1.030 222 T CA -0.541 61.374 62.100 -0.308 0.000 1.020 222 T CB 0.910 69.456 68.868 -0.537 0.000 1.056 222 T HN 0.542 nan 8.240 nan 0.000 0.480 223 I N 2.932 123.430 120.570 -0.120 0.000 2.363 223 I HA 0.128 4.298 4.170 -0.000 0.000 0.292 223 I C 1.156 177.241 176.117 -0.052 0.000 1.075 223 I CA -0.384 60.875 61.300 -0.068 0.000 1.333 223 I CB 1.009 38.975 38.000 -0.057 0.000 1.415 223 I HN 0.793 nan 8.210 nan 0.000 0.502 224 S N 3.376 119.054 115.700 -0.038 0.000 2.414 224 S HA -0.028 4.442 4.470 -0.000 0.000 0.227 224 S C 0.266 174.877 174.600 0.017 0.000 1.022 224 S CA 0.428 58.615 58.200 -0.023 0.000 0.958 224 S CB -0.122 63.063 63.200 -0.024 0.000 0.797 224 S HN 0.764 nan 8.310 nan 0.000 0.493 225 D N -1.035 119.399 120.400 0.058 0.000 2.837 225 D HA 0.439 5.079 4.640 -0.000 0.000 0.220 225 D C -2.006 174.442 176.300 0.246 0.000 1.236 225 D CA -0.558 53.514 54.000 0.119 0.000 0.838 225 D CB 1.312 42.164 40.800 0.086 0.000 1.647 225 D HN -0.006 nan 8.370 nan 0.000 0.486 226 Y N 3.723 124.119 120.300 0.160 0.000 2.329 226 Y HA 0.529 5.080 4.550 0.000 0.000 0.328 226 Y C -2.326 173.736 175.900 0.270 0.000 0.992 226 Y CA -1.224 57.002 58.100 0.209 0.000 1.151 226 Y CB 0.741 39.315 38.460 0.189 0.000 1.150 226 Y HN 0.399 nan 8.280 nan 0.000 0.450 227 Y N 6.046 126.351 120.300 0.010 0.000 2.350 227 Y HA 0.675 5.225 4.550 -0.000 0.000 0.338 227 Y C -1.714 174.019 175.900 -0.277 0.000 0.961 227 Y CA -1.783 56.174 58.100 -0.238 0.000 1.100 227 Y CB 1.598 40.006 38.460 -0.087 0.000 1.179 227 Y HN 0.342 nan 8.280 nan 0.000 0.454 228 V N 8.037 127.588 119.914 -0.606 0.000 2.304 228 V HA 0.414 4.534 4.120 -0.000 0.000 0.269 228 V C 0.066 175.689 176.094 -0.786 0.000 1.036 228 V CA -0.685 61.225 62.300 -0.650 0.000 0.840 228 V CB 0.577 31.937 31.823 -0.771 0.000 1.036 228 V HN 0.711 nan 8.190 nan 0.000 0.466 229 R N 4.030 124.039 120.500 -0.818 0.000 2.254 229 R HA 0.309 4.649 4.340 -0.000 0.000 0.318 229 R C 0.009 176.099 176.300 -0.349 0.000 1.031 229 R CA -0.433 55.250 56.100 -0.695 0.000 0.905 229 R CB 0.860 30.769 30.300 -0.653 0.000 1.050 229 R HN 0.768 nan 8.270 nan 0.000 0.456 230 Q N 5.031 124.678 119.800 -0.255 0.000 2.307 230 Q HA 0.088 4.428 4.340 -0.000 0.000 0.259 230 Q C 0.333 176.269 176.000 -0.106 0.000 0.998 230 Q CA -0.188 55.518 55.803 -0.162 0.000 0.923 230 Q CB 1.006 29.663 28.738 -0.137 0.000 1.196 230 Q HN 0.779 nan 8.270 nan 0.000 0.416 231 L N 2.168 123.340 121.223 -0.085 0.000 2.084 231 L HA 0.090 4.430 4.340 -0.000 0.000 0.202 231 L C 0.721 177.568 176.870 -0.038 0.000 1.074 231 L CA 0.490 55.295 54.840 -0.058 0.000 0.757 231 L CB -0.084 41.946 42.059 -0.049 0.000 0.918 231 L HN 0.641 nan 8.230 nan 0.000 0.444 232 S N -0.946 114.734 115.700 -0.033 0.000 2.596 232 S HA 0.662 5.132 4.470 -0.000 0.000 0.270 232 S C -1.259 173.332 174.600 -0.014 0.000 1.155 232 S CA -0.787 57.402 58.200 -0.018 0.000 0.827 232 S CB 2.595 65.788 63.200 -0.011 0.000 1.130 232 S HN 0.006 nan 8.310 nan 0.000 0.467 233 L N 1.690 122.912 121.223 -0.001 0.000 2.476 233 L HA 0.794 5.134 4.340 -0.000 0.000 0.269 233 L C -0.333 176.549 176.870 0.020 0.000 0.965 233 L CA 0.303 55.149 54.840 0.009 0.000 0.845 233 L CB 1.648 43.718 42.059 0.018 0.000 1.259 233 L HN 1.215 nan 8.230 nan 0.000 0.403 234 T N -0.646 113.920 114.554 0.021 0.000 2.883 234 T HA 0.457 4.807 4.350 -0.000 0.000 0.284 234 T C 0.383 175.103 174.700 0.032 0.000 1.041 234 T CA -0.462 61.653 62.100 0.025 0.000 1.007 234 T CB 1.156 70.035 68.868 0.018 0.000 1.220 234 T HN 0.454 nan 8.240 nan 0.000 0.552 235 D N 0.201 120.621 120.400 0.032 0.000 2.218 235 D HA -0.003 4.637 4.640 -0.000 0.000 0.204 235 D C 1.633 177.953 176.300 0.034 0.000 0.976 235 D CA 1.142 55.163 54.000 0.036 0.000 0.853 235 D CB 0.031 40.848 40.800 0.029 0.000 0.939 235 D HN 0.649 nan 8.370 nan 0.000 0.481 236 E N -0.381 119.835 120.200 0.027 0.000 2.140 236 E HA 0.095 4.445 4.350 -0.000 0.000 0.191 236 E C 0.364 176.977 176.600 0.022 0.000 0.973 236 E CA 0.357 56.771 56.400 0.023 0.000 0.829 236 E CB 0.287 29.997 29.700 0.017 0.000 0.781 236 E HN 0.030 nan 8.360 nan 0.000 0.466 237 N N -0.902 117.809 118.700 0.018 0.000 2.367 237 N HA 0.529 5.269 4.740 -0.000 0.000 0.278 237 N C -2.010 173.503 175.510 0.005 0.000 1.117 237 N CA -0.407 52.650 53.050 0.010 0.000 0.867 237 N CB 1.670 40.161 38.487 0.006 0.000 1.649 237 N HN 0.004 nan 8.380 nan 0.000 0.479 238 A N 2.408 125.224 122.820 -0.007 0.000 2.318 238 A HA 0.745 5.065 4.320 -0.000 0.000 0.324 238 A C -0.608 176.966 177.584 -0.018 0.000 1.170 238 A CA -0.590 51.437 52.037 -0.018 0.000 0.810 238 A CB 0.654 19.630 19.000 -0.040 0.000 1.198 238 A HN 0.647 nan 8.150 nan 0.000 0.484 239 R N 2.123 122.611 120.500 -0.020 0.000 2.338 239 R HA 0.602 4.942 4.340 -0.000 0.000 0.317 239 R C -1.181 175.100 176.300 -0.032 0.000 0.968 239 R CA -0.657 55.432 56.100 -0.018 0.000 0.849 239 R CB 1.292 31.582 30.300 -0.016 0.000 1.128 239 R HN 0.471 nan 8.270 nan 0.000 0.448 240 L N 1.043 122.257 121.223 -0.014 0.000 2.341 240 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 240 L C 0.036 176.891 176.870 -0.025 0.000 1.009 240 L CA -0.489 54.331 54.840 -0.034 0.000 0.819 240 L CB 1.787 43.870 42.059 0.040 0.000 1.323 240 L HN 0.553 nan 8.230 nan 0.000 0.425 241 S N 2.168 117.820 115.700 -0.080 0.000 2.659 241 S HA 0.472 4.941 4.470 -0.000 0.000 0.312 241 S C -0.665 173.898 174.600 -0.061 0.000 1.114 241 S CA -0.706 57.459 58.200 -0.058 0.000 1.063 241 S CB 0.361 63.510 63.200 -0.084 0.000 0.996 241 S HN 0.595 nan 8.310 nan 0.000 0.478 242 N N 4.649 123.382 118.700 0.056 0.000 2.415 242 N HA 0.152 4.892 4.740 -0.000 0.000 0.246 242 N C -0.866 174.745 175.510 0.167 0.000 1.078 242 N CA -0.066 53.095 53.050 0.185 0.000 0.942 242 N CB 0.982 39.642 38.487 0.289 0.000 1.140 242 N HN 0.688 nan 8.380 nan 0.000 0.501 243 E N 2.519 122.824 120.200 0.175 0.000 2.109 243 E HA 0.356 4.706 4.350 -0.000 0.000 0.278 243 E C -0.580 176.194 176.600 0.290 0.000 0.954 243 E CA -0.432 56.083 56.400 0.192 0.000 0.779 243 E CB 1.437 31.242 29.700 0.174 0.000 1.093 243 E HN 0.303 nan 8.360 nan 0.000 0.401 244 L N 4.104 125.447 121.223 0.200 0.000 2.346 244 L HA 0.535 4.875 4.340 -0.000 0.000 0.274 244 L C -0.549 176.382 176.870 0.103 0.000 1.007 244 L CA -0.556 54.376 54.840 0.152 0.000 0.818 244 L CB 1.500 43.581 42.059 0.037 0.000 1.284 244 L HN 0.452 nan 8.230 nan 0.000 0.424 245 I N 3.275 123.885 120.570 0.068 0.000 2.382 245 I HA 0.406 4.575 4.170 -0.000 0.000 0.286 245 I C -0.858 175.223 176.117 -0.059 0.000 1.002 245 I CA -0.722 60.549 61.300 -0.049 0.000 1.135 245 I CB 1.802 39.782 38.000 -0.033 0.000 1.288 245 I HN 0.162 nan 8.210 nan 0.000 0.448 246 V N 5.249 125.108 119.914 -0.092 0.000 2.384 246 V HA 0.301 4.421 4.120 -0.000 0.000 0.287 246 V C -0.233 175.819 176.094 -0.070 0.000 1.020 246 V CA -0.682 61.577 62.300 -0.068 0.000 0.850 246 V CB 1.755 33.548 31.823 -0.050 0.000 0.987 246 V HN 0.665 nan 8.190 nan 0.000 0.436 247 N N 3.871 122.538 118.700 -0.054 0.000 2.485 247 N HA 0.249 4.989 4.740 -0.000 0.000 0.243 247 N C -0.407 175.114 175.510 0.019 0.000 0.987 247 N CA -0.254 52.780 53.050 -0.026 0.000 0.940 247 N CB 1.071 39.543 38.487 -0.025 0.000 1.122 247 N HN 0.795 nan 8.380 nan 0.000 0.509 248 Q N 3.515 123.333 119.800 0.031 0.000 2.267 248 Q HA 0.272 4.612 4.340 -0.000 0.000 0.255 248 Q C 0.076 176.125 176.000 0.081 0.000 0.923 248 Q CA -0.300 55.541 55.803 0.064 0.000 0.925 248 Q CB 1.002 29.764 28.738 0.039 0.000 1.195 248 Q HN 0.718 nan 8.270 nan 0.000 0.417 249 I N 4.276 124.917 120.570 0.117 0.000 3.968 249 I HA 0.079 4.249 4.170 -0.000 0.000 0.328 249 I C -0.340 175.802 176.117 0.040 0.000 1.290 249 I CA 0.071 61.427 61.300 0.094 0.000 1.163 249 I CB 1.167 39.248 38.000 0.135 0.000 1.024 249 I HN 0.523 nan 8.210 nan 0.000 0.413 250 V N -1.765 118.170 119.914 0.035 0.000 2.630 250 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 250 V C -1.743 174.361 176.094 0.018 0.000 1.046 250 V CA -1.413 60.897 62.300 0.017 0.000 0.934 250 V CB 0.830 32.660 31.823 0.011 0.000 1.003 250 V HN -0.067 nan 8.190 nan 0.000 0.451 251 P HA -0.038 nan 4.420 nan 0.000 0.220 251 P C 0.363 177.670 177.300 0.012 0.000 1.152 251 P CA 0.828 63.936 63.100 0.013 0.000 0.812 251 P CB 0.141 31.847 31.700 0.010 0.000 0.792 252 Q N 1.124 120.931 119.800 0.011 0.000 2.354 252 Q HA 0.170 4.510 4.340 -0.000 0.000 0.244 252 Q C -0.125 175.882 176.000 0.012 0.000 0.969 252 Q CA -0.246 55.563 55.803 0.010 0.000 0.885 252 Q CB 0.878 29.621 28.738 0.008 0.000 1.241 252 Q HN 0.098 nan 8.270 nan 0.000 0.461 253 K N 1.317 121.723 120.400 0.011 0.000 2.414 253 K HA 0.197 4.517 4.320 -0.000 0.000 0.272 253 K C -0.210 176.397 176.600 0.010 0.000 0.993 253 K CA -0.070 56.224 56.287 0.011 0.000 0.964 253 K CB 0.388 32.894 32.500 0.009 0.000 0.925 253 K HN 0.515 nan 8.250 nan 0.000 0.487 254 I N 4.897 125.474 120.570 0.011 0.000 2.439 254 I HA 0.199 4.369 4.170 -0.000 0.000 0.285 254 I C -2.258 173.864 176.117 0.009 0.000 1.021 254 I CA -3.119 58.187 61.300 0.011 0.000 1.091 254 I CB 1.401 39.410 38.000 0.015 0.000 1.242 254 I HN 0.332 nan 8.210 nan 0.000 0.439 255 P HA 0.248 nan 4.420 nan 0.000 0.267 255 P C -0.708 176.595 177.300 0.005 0.000 1.209 255 P CA 0.104 63.207 63.100 0.005 0.000 0.763 255 P CB 1.137 32.840 31.700 0.004 0.000 0.816 256 A N 2.813 125.634 122.820 0.003 0.000 2.609 256 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 256 A C -1.184 176.397 177.584 -0.004 0.000 1.096 256 A CA -0.648 51.389 52.037 -0.000 0.000 0.684 256 A CB 1.632 20.632 19.000 -0.000 0.000 1.282 256 A HN 0.501 nan 8.150 nan 0.000 0.412 257 E N 0.905 121.101 120.200 -0.008 0.000 2.191 257 E HA 0.562 4.912 4.350 -0.000 0.000 0.263 257 E C -1.537 175.051 176.600 -0.020 0.000 0.881 257 E CA -0.545 55.848 56.400 -0.011 0.000 0.757 257 E CB 1.683 31.377 29.700 -0.010 0.000 1.147 257 E HN 0.452 nan 8.360 nan 0.000 0.414 258 V N 5.136 125.036 119.914 -0.023 0.000 2.461 258 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 258 V C 0.160 176.231 176.094 -0.038 0.000 1.047 258 V CA -0.251 62.027 62.300 -0.037 0.000 0.955 258 V CB 0.967 32.768 31.823 -0.037 0.000 0.988 258 V HN 0.660 nan 8.190 nan 0.000 0.471 259 R N 3.277 123.746 120.500 -0.053 0.000 2.534 259 R HA 0.744 5.084 4.340 -0.000 0.000 0.301 259 R C -1.543 174.718 176.300 -0.064 0.000 0.961 259 R CA -0.658 55.413 56.100 -0.047 0.000 0.871 259 R CB 2.400 32.676 30.300 -0.040 0.000 1.170 259 R HN 0.513 nan 8.270 nan 0.000 0.446 260 V N 3.346 123.234 119.914 -0.044 0.000 2.407 260 V HA 0.261 4.381 4.120 -0.000 0.000 0.291 260 V C -0.434 175.634 176.094 -0.044 0.000 1.018 260 V CA -0.931 61.350 62.300 -0.032 0.000 0.842 260 V CB 1.567 33.406 31.823 0.028 0.000 0.996 260 V HN 0.695 nan 8.190 nan 0.000 0.426 261 N N 4.261 122.930 118.700 -0.052 0.000 2.419 261 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 261 N C -1.156 174.254 175.510 -0.167 0.000 1.006 261 N CA -0.212 52.789 53.050 -0.081 0.000 0.923 261 N CB 2.052 40.510 38.487 -0.049 0.000 1.140 261 N HN 0.394 nan 8.380 nan 0.000 0.488 262 V N 2.914 122.667 119.914 -0.268 0.000 2.370 262 V HA 0.416 4.535 4.120 -0.000 0.000 0.283 262 V C 0.117 176.113 176.094 -0.164 0.000 1.023 262 V CA -0.541 61.479 62.300 -0.466 0.000 0.857 262 V CB 0.926 32.312 31.823 -0.727 0.000 0.985 262 V HN 0.808 nan 8.190 nan 0.000 0.443 263 S N 4.985 120.649 115.700 -0.060 0.000 2.595 263 S HA 0.877 5.347 4.470 -0.000 0.000 0.281 263 S C -1.206 173.429 174.600 0.058 0.000 1.117 263 S CA -0.875 57.339 58.200 0.023 0.000 0.873 263 S CB 2.279 65.477 63.200 -0.003 0.000 1.108 263 S HN 0.575 nan 8.310 nan 0.000 0.477 264 L N 2.034 123.233 121.223 -0.039 0.000 2.406 264 L HA 0.590 4.930 4.340 -0.000 0.000 0.270 264 L C -0.500 176.297 176.870 -0.121 0.000 0.982 264 L CA 0.211 54.921 54.840 -0.218 0.000 0.843 264 L CB 0.540 42.347 42.059 -0.420 0.000 1.225 264 L HN 0.842 nan 8.230 nan 0.000 0.412 265 N N 4.341 122.984 118.700 -0.095 0.000 2.740 265 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 265 N C 0.909 176.399 175.510 -0.033 0.000 1.062 265 N CA 1.367 54.383 53.050 -0.057 0.000 0.704 265 N CB -1.120 37.328 38.487 -0.066 0.000 0.968 265 N HN 1.266 nan 8.380 nan 0.000 0.547 266 G N -2.470 106.316 108.800 -0.022 0.000 2.176 266 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 266 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 266 G C 0.045 174.939 174.900 -0.011 0.000 0.979 266 G CA 0.578 45.671 45.100 -0.012 0.000 0.641 266 G HN 0.524 nan 8.290 nan 0.000 0.530 267 T N 1.897 116.442 114.554 -0.015 0.000 2.809 267 T HA 0.527 4.877 4.350 -0.000 0.000 0.284 267 T C 0.349 175.046 174.700 -0.005 0.000 0.992 267 T CA 0.125 62.219 62.100 -0.009 0.000 0.957 267 T CB 1.544 70.406 68.868 -0.009 0.000 0.942 267 T HN 0.272 nan 8.240 nan 0.000 0.439 268 T N 2.849 117.398 114.554 -0.007 0.000 2.765 268 T HA 0.018 4.368 4.350 -0.000 0.000 0.275 268 T C 1.712 176.413 174.700 0.002 0.000 1.007 268 T CA 0.229 62.323 62.100 -0.011 0.000 1.175 268 T CB 0.257 69.115 68.868 -0.017 0.000 0.993 268 T HN 0.625 nan 8.240 nan 0.000 0.510 269 V N 1.230 121.150 119.914 0.010 0.000 3.085 269 V HA 0.395 4.515 4.120 -0.000 0.000 0.245 269 V C 0.786 176.875 176.094 -0.008 0.000 1.114 269 V CA 1.028 63.345 62.300 0.030 0.000 1.108 269 V CB 0.539 32.432 31.823 0.117 0.000 0.798 269 V HN 0.850 nan 8.190 nan 0.000 0.471 270 T N 0.190 114.715 114.554 -0.048 0.000 2.942 270 T HA 0.443 4.793 4.350 -0.000 0.000 0.327 270 T C -1.911 172.744 174.700 -0.074 0.000 1.360 270 T CA -0.439 61.626 62.100 -0.058 0.000 1.055 270 T CB 2.064 70.897 68.868 -0.059 0.000 1.261 270 T HN 0.474 nan 8.240 nan 0.000 0.485 271 E N 2.275 122.446 120.200 -0.048 0.000 2.241 271 E HA 0.557 4.907 4.350 -0.000 0.000 0.263 271 E C -0.831 175.751 176.600 -0.030 0.000 0.882 271 E CA -0.640 55.734 56.400 -0.043 0.000 0.769 271 E CB 2.098 31.778 29.700 -0.032 0.000 1.185 271 E HN 0.665 nan 8.360 nan 0.000 0.415 272 V N 0.361 120.260 119.914 -0.026 0.000 2.864 272 V HA 0.776 4.896 4.120 -0.000 0.000 0.314 272 V C -0.445 175.640 176.094 -0.015 0.000 1.073 272 V CA -0.922 61.370 62.300 -0.014 0.000 0.956 272 V CB 2.012 33.833 31.823 -0.002 0.000 1.023 272 V HN 0.674 nan 8.190 nan 0.000 0.435 273 K N 1.936 122.329 120.400 -0.011 0.000 2.495 273 K HA 0.799 5.119 4.320 -0.000 0.000 0.268 273 K C -1.474 175.122 176.600 -0.008 0.000 1.008 273 K CA -0.898 55.382 56.287 -0.013 0.000 0.882 273 K CB 2.741 35.232 32.500 -0.014 0.000 1.443 273 K HN 0.795 nan 8.250 nan 0.000 0.447 274 Q N 1.283 121.078 119.800 -0.008 0.000 2.430 274 Q HA 0.089 4.429 4.340 -0.000 0.000 0.253 274 Q C -1.445 174.552 176.000 -0.005 0.000 0.945 274 Q CA -0.632 55.168 55.803 -0.004 0.000 0.964 274 Q CB 2.012 30.749 28.738 -0.001 0.000 1.460 274 Q HN 0.599 nan 8.270 nan 0.000 0.428 275 Q N 1.704 121.503 119.800 -0.002 0.000 2.332 275 Q HA 0.391 4.731 4.340 -0.000 0.000 0.263 275 Q C -0.063 175.938 176.000 0.001 0.000 0.979 275 Q CA 0.055 55.857 55.803 -0.001 0.000 0.885 275 Q CB 1.250 29.988 28.738 -0.000 0.000 1.218 275 Q HN 0.491 nan 8.270 nan 0.000 0.405 276 V N -1.082 118.832 119.914 0.001 0.000 3.078 276 V HA 0.771 4.891 4.120 -0.000 0.000 0.311 276 V C -0.457 175.640 176.094 0.004 0.000 1.138 276 V CA -0.925 61.377 62.300 0.004 0.000 1.007 276 V CB 2.343 34.167 31.823 0.003 0.000 1.045 276 V HN 0.657 nan 8.190 nan 0.000 0.432 277 T N 4.181 118.739 114.554 0.007 0.000 2.770 277 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 277 T C -0.269 174.437 174.700 0.009 0.000 0.988 277 T CA -0.264 61.840 62.100 0.008 0.000 0.957 277 T CB 0.951 69.824 68.868 0.008 0.000 0.930 277 T HN 0.653 nan 8.240 nan 0.000 0.443 278 L N 3.722 124.950 121.223 0.008 0.000 2.375 278 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 278 L C 0.799 177.676 176.870 0.011 0.000 1.107 278 L CA -0.780 54.065 54.840 0.008 0.000 0.806 278 L CB 0.824 42.888 42.059 0.008 0.000 1.146 278 L HN 0.660 nan 8.230 nan 0.000 0.447 279 Q N 2.600 122.407 119.800 0.011 0.000 2.297 279 Q HA 0.581 4.921 4.340 -0.000 0.000 0.268 279 Q C -2.698 173.310 176.000 0.014 0.000 1.045 279 Q CA -2.351 53.460 55.803 0.013 0.000 0.861 279 Q CB 1.608 30.355 28.738 0.015 0.000 1.344 279 Q HN 0.226 nan 8.270 nan 0.000 0.452 280 P HA 0.022 nan 4.420 nan 0.000 0.266 280 P C 0.605 177.916 177.300 0.018 0.000 1.193 280 P CA 1.575 64.688 63.100 0.021 0.000 0.770 280 P CB 0.301 32.013 31.700 0.020 0.000 0.836 281 G N 2.739 111.552 108.800 0.021 0.000 2.528 281 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.262 281 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.262 281 G C -0.585 174.310 174.900 -0.009 0.000 1.200 281 G CA -0.526 44.583 45.100 0.014 0.000 0.951 281 G HN 0.542 nan 8.290 nan 0.000 0.566 282 I N 2.869 123.424 120.570 -0.024 0.000 2.396 282 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 282 I C 0.396 176.443 176.117 -0.117 0.000 1.056 282 I CA -0.210 61.037 61.300 -0.088 0.000 1.365 282 I CB 0.141 38.089 38.000 -0.087 0.000 1.407 282 I HN 0.412 nan 8.210 nan 0.000 0.509 283 N N 6.411 125.010 118.700 -0.169 0.000 2.361 283 N HA 0.371 5.111 4.740 -0.000 0.000 0.302 283 N C -0.619 174.729 175.510 -0.269 0.000 1.074 283 N CA -0.604 52.366 53.050 -0.132 0.000 0.850 283 N CB 2.045 40.500 38.487 -0.053 0.000 1.228 283 N HN 0.482 nan 8.380 nan 0.000 0.491 284 H N 1.928 121.013 119.070 0.025 0.000 2.539 284 H HA 0.469 5.025 4.556 -0.000 0.000 0.332 284 H C -0.323 175.020 175.328 0.025 0.000 1.031 284 H CA -0.222 55.844 56.048 0.031 0.000 1.206 284 H CB 1.703 31.482 29.762 0.028 0.000 1.446 284 H HN 0.386 nan 8.280 nan 0.000 0.496 285 I N 2.177 122.820 120.570 0.122 0.000 2.569 285 I HA 0.283 4.453 4.170 -0.000 0.000 0.296 285 I C -0.177 175.988 176.117 0.081 0.000 1.028 285 I CA -0.471 60.874 61.300 0.075 0.000 1.082 285 I CB 2.395 40.415 38.000 0.033 0.000 1.264 285 I HN 0.398 nan 8.210 nan 0.000 0.429 286 T N 6.328 120.917 114.554 0.058 0.000 3.011 286 T HA 0.614 4.964 4.350 -0.000 0.000 0.303 286 T C -0.991 173.730 174.700 0.036 0.000 0.997 286 T CA -0.498 61.633 62.100 0.053 0.000 1.007 286 T CB 1.365 70.260 68.868 0.044 0.000 1.017 286 T HN 0.108 nan 8.240 nan 0.000 0.443 287 L N 4.717 125.964 121.223 0.041 0.000 2.385 287 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 287 L C -2.410 174.483 176.870 0.038 0.000 0.990 287 L CA -2.440 52.419 54.840 0.032 0.000 0.821 287 L CB 0.878 42.954 42.059 0.028 0.000 1.279 287 L HN 0.303 nan 8.230 nan 0.000 0.412 288 P HA 0.574 nan 4.420 nan 0.000 0.274 288 P C -1.128 176.192 177.300 0.034 0.000 1.237 288 P CA -0.382 62.731 63.100 0.022 0.000 0.793 288 P CB 1.557 33.262 31.700 0.008 0.000 0.977 289 A N 0.942 123.786 122.820 0.041 0.000 2.612 289 A HA 0.625 4.945 4.320 -0.000 0.000 0.293 289 A C -1.322 176.279 177.584 0.029 0.000 1.075 289 A CA -0.592 51.467 52.037 0.037 0.000 0.680 289 A CB 1.375 20.411 19.000 0.060 0.000 1.279 289 A HN 0.528 nan 8.150 nan 0.000 0.411 290 E N -0.078 120.126 120.200 0.007 0.000 2.317 290 E HA 0.599 4.949 4.350 -0.000 0.000 0.270 290 E C -1.554 175.034 176.600 -0.020 0.000 0.885 290 E CA -0.955 55.444 56.400 -0.003 0.000 0.760 290 E CB 2.708 32.406 29.700 -0.003 0.000 1.227 290 E HN 0.342 nan 8.360 nan 0.000 0.434 291 V N 1.966 121.862 119.914 -0.031 0.000 2.407 291 V HA 0.247 4.367 4.120 -0.000 0.000 0.291 291 V C 0.044 176.133 176.094 -0.008 0.000 1.018 291 V CA -0.834 61.440 62.300 -0.044 0.000 0.842 291 V CB 1.427 33.160 31.823 -0.150 0.000 0.996 291 V HN 0.848 nan 8.190 nan 0.000 0.426 292 T N 1.231 115.793 114.554 0.013 0.000 2.913 292 T HA 0.295 4.645 4.350 -0.000 0.000 0.297 292 T C 0.469 175.196 174.700 0.045 0.000 1.029 292 T CA -0.286 61.828 62.100 0.024 0.000 1.104 292 T CB -0.004 68.877 68.868 0.022 0.000 0.964 292 T HN 0.800 nan 8.240 nan 0.000 0.532 293 N N 0.861 119.588 118.700 0.044 0.000 2.699 293 N HA -0.130 4.610 4.740 -0.000 0.000 0.256 293 N C -2.481 173.087 175.510 0.095 0.000 0.993 293 N CA 0.161 53.247 53.050 0.060 0.000 0.759 293 N CB -1.177 37.342 38.487 0.054 0.000 0.906 293 N HN 0.638 nan 8.380 nan 0.000 0.541 294 P HA -0.017 nan 4.420 nan 0.000 0.266 294 P C -0.080 177.349 177.300 0.215 0.000 1.195 294 P CA 0.142 63.332 63.100 0.150 0.000 0.768 294 P CB 0.801 32.538 31.700 0.063 0.000 0.838 295 V N 5.081 125.209 119.914 0.357 0.000 2.408 295 V HA 0.184 4.304 4.120 -0.000 0.000 0.267 295 V C 1.306 177.590 176.094 0.317 0.000 1.047 295 V CA -0.339 62.118 62.300 0.262 0.000 0.937 295 V CB -0.138 31.782 31.823 0.163 0.000 0.999 295 V HN 0.476 nan 8.190 nan 0.000 0.472 296 R N 2.903 123.539 120.500 0.226 0.000 2.641 296 R HA 0.156 4.495 4.340 -0.000 0.000 0.269 296 R C -0.450 176.028 176.300 0.296 0.000 1.074 296 R CA -0.433 55.822 56.100 0.258 0.000 1.133 296 R CB 0.976 31.396 30.300 0.201 0.000 1.029 296 R HN 0.772 nan 8.270 nan 0.000 0.488 297 W N 4.203 125.590 121.300 0.144 0.000 2.304 297 W HA 0.138 4.798 4.660 -0.000 0.000 0.313 297 W C -0.906 175.691 176.519 0.129 0.000 1.323 297 W CA -0.404 57.015 57.345 0.123 0.000 1.223 297 W CB 0.672 30.200 29.460 0.114 0.000 1.237 297 W HN 0.253 nan 8.180 nan 0.000 0.535 298 M N 9.574 129.016 119.600 -0.265 0.000 2.472 298 M HA 0.372 4.851 4.480 -0.000 0.000 0.331 298 M C -1.920 173.943 176.300 -0.728 0.000 1.170 298 M CA -3.249 51.924 55.300 -0.212 0.000 1.009 298 M CB 0.744 33.309 32.600 -0.058 0.000 1.672 298 M HN 0.274 nan 8.290 nan 0.000 0.453 299 P HA 0.036 nan 4.420 nan 0.000 0.273 299 P C -0.422 176.674 177.300 -0.341 0.000 1.250 299 P CA -0.386 62.423 63.100 -0.483 0.000 0.793 299 P CB 0.311 31.840 31.700 -0.286 0.000 1.011 300 N N -0.354 118.173 118.700 -0.289 0.000 2.411 300 N HA 0.189 4.928 4.740 -0.000 0.000 0.261 300 N C 1.411 176.825 175.510 -0.160 0.000 1.248 300 N CA 1.929 54.870 53.050 -0.182 0.000 0.885 300 N CB -0.700 37.709 38.487 -0.131 0.000 1.062 300 N HN 0.745 nan 8.380 nan 0.000 0.471 301 G N 2.590 111.358 108.800 -0.054 0.000 2.258 301 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.233 301 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.233 301 G C 0.437 175.485 174.900 0.248 0.000 1.006 301 G CA 0.195 45.316 45.100 0.036 0.000 0.620 301 G HN 0.578 nan 8.290 nan 0.000 0.511 302 W N 1.725 122.985 121.300 -0.067 0.000 3.127 302 W HA 0.575 5.235 4.660 -0.000 0.000 0.344 302 W C 1.310 177.788 176.519 -0.069 0.000 1.151 302 W CA 0.517 57.830 57.345 -0.053 0.000 1.765 302 W CB 0.152 29.587 29.460 -0.042 0.000 1.085 302 W HN 1.141 nan 8.180 nan 0.000 0.596 303 G N -0.436 108.426 108.800 0.104 0.000 2.260 303 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.250 303 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.250 303 G C -0.831 174.036 174.900 -0.055 0.000 1.340 303 G CA -0.898 44.215 45.100 0.023 0.000 1.056 303 G HN -0.265 nan 8.290 nan 0.000 0.471 304 T N 3.584 118.099 114.554 -0.065 0.000 2.832 304 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 304 T C -2.129 172.446 174.700 -0.208 0.000 0.968 304 T CA -0.464 61.577 62.100 -0.099 0.000 1.107 304 T CB 1.759 70.599 68.868 -0.047 0.000 0.916 304 T HN 0.429 nan 8.240 nan 0.000 0.517 305 P HA 0.122 nan 4.420 nan 0.000 0.225 305 P C -0.283 176.966 177.300 -0.086 0.000 1.813 305 P CA -0.458 62.285 63.100 -0.595 0.000 1.013 305 P CB -0.926 30.472 31.700 -0.505 0.000 1.961 306 T N 2.903 117.478 114.554 0.036 0.000 2.866 306 T HA 0.098 4.447 4.350 -0.000 0.000 0.293 306 T C 0.501 175.396 174.700 0.325 0.000 1.005 306 T CA 0.575 62.763 62.100 0.146 0.000 1.162 306 T CB 0.097 69.043 68.868 0.130 0.000 0.968 306 T HN 0.203 nan 8.240 nan 0.000 0.530 307 L N 3.658 125.003 121.223 0.203 0.000 2.376 307 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 307 L C -0.583 176.380 176.870 0.156 0.000 0.987 307 L CA -1.058 53.933 54.840 0.253 0.000 0.828 307 L CB 1.213 43.397 42.059 0.207 0.000 1.249 307 L HN 0.641 nan 8.230 nan 0.000 0.409 308 Y N 1.145 121.571 120.300 0.211 0.000 2.307 308 Y HA 0.186 4.736 4.550 -0.001 0.000 0.324 308 Y C 0.395 176.455 175.900 0.266 0.000 1.238 308 Y CA -0.431 57.806 58.100 0.230 0.000 1.280 308 Y CB 1.025 39.699 38.460 0.358 0.000 1.248 308 Y HN 0.449 nan 8.280 nan 0.000 0.508 309 D N 2.778 123.375 120.400 0.329 0.000 2.317 309 D HA 0.167 4.807 4.640 -0.000 0.000 0.234 309 D C -1.260 175.197 176.300 0.262 0.000 1.112 309 D CA 0.012 54.174 54.000 0.270 0.000 0.840 309 D CB 0.738 41.618 40.800 0.132 0.000 1.078 309 D HN 0.237 nan 8.370 nan 0.000 0.486 310 F N 1.262 121.306 119.950 0.156 0.000 2.361 310 F HA 0.168 4.695 4.527 0.001 0.000 0.364 310 F C 0.774 176.719 175.800 0.241 0.000 1.117 310 F CA -0.552 57.565 58.000 0.195 0.000 1.071 310 F CB 1.710 40.827 39.000 0.196 0.000 1.188 310 F HN 0.034 nan 8.300 nan 0.000 0.464 311 S N 3.216 119.063 115.700 0.245 0.000 2.478 311 S HA 0.864 5.334 4.470 -0.000 0.000 0.312 311 S C -0.693 173.909 174.600 0.004 0.000 1.094 311 S CA -0.482 57.798 58.200 0.133 0.000 1.081 311 S CB 0.820 64.048 63.200 0.047 0.000 1.007 311 S HN 0.716 nan 8.310 nan 0.000 0.475 312 A N 4.710 127.423 122.820 -0.179 0.000 2.303 312 A HA 0.687 5.007 4.320 -0.000 0.000 0.320 312 A C -0.551 176.897 177.584 -0.227 0.000 1.192 312 A CA -0.649 51.162 52.037 -0.377 0.000 0.821 312 A CB 0.864 19.264 19.000 -1.001 0.000 1.188 312 A HN 0.836 nan 8.150 nan 0.000 0.492 313 Q N 1.540 121.250 119.800 -0.149 0.000 2.342 313 Q HA 0.508 4.848 4.340 -0.000 0.000 0.267 313 Q C -1.069 174.883 176.000 -0.081 0.000 1.038 313 Q CA -0.834 54.912 55.803 -0.094 0.000 0.832 313 Q CB 2.469 31.172 28.738 -0.059 0.000 1.323 313 Q HN 0.620 nan 8.270 nan 0.000 0.448 314 I N 2.088 122.622 120.570 -0.060 0.000 2.306 314 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 314 I C -0.217 175.888 176.117 -0.021 0.000 1.036 314 I CA -0.500 60.776 61.300 -0.040 0.000 1.221 314 I CB 0.532 38.512 38.000 -0.033 0.000 1.385 314 I HN 0.569 nan 8.210 nan 0.000 0.472 315 A N 6.260 129.069 122.820 -0.018 0.000 2.260 315 A HA 0.559 4.879 4.320 -0.000 0.000 0.314 315 A C -0.423 177.159 177.584 -0.003 0.000 1.257 315 A CA -0.299 51.732 52.037 -0.010 0.000 0.871 315 A CB 0.485 19.478 19.000 -0.012 0.000 1.166 315 A HN 0.756 nan 8.150 nan 0.000 0.522 316 C N 3.257 122.559 119.300 0.003 0.000 2.335 316 C HA 0.756 5.215 4.460 -0.000 0.000 0.318 316 C C 1.206 176.199 174.990 0.006 0.000 1.150 316 C CA 0.413 59.435 59.018 0.007 0.000 1.466 316 C CB -0.552 27.196 27.740 0.013 0.000 2.024 316 C HN 1.785 nan 8.230 nan 0.000 0.429 317 G N 4.564 113.366 108.800 0.003 0.000 2.509 317 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 317 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 317 G C 0.179 175.080 174.900 0.001 0.000 1.152 317 G CA 0.634 45.735 45.100 0.003 0.000 0.951 317 G HN 0.729 nan 8.290 nan 0.000 0.559 318 D N 0.725 121.126 120.400 0.001 0.000 2.427 318 D HA 0.241 4.881 4.640 -0.000 0.000 0.224 318 D C 0.851 177.153 176.300 0.002 0.000 1.157 318 D CA -0.133 53.867 54.000 0.000 0.000 0.828 318 D CB -0.073 40.727 40.800 0.000 0.000 0.974 318 D HN 0.590 nan 8.370 nan 0.000 0.498 319 R N 0.714 121.217 120.500 0.005 0.000 2.254 319 R HA 0.310 4.650 4.340 -0.000 0.000 0.318 319 R C -0.227 176.078 176.300 0.008 0.000 1.031 319 R CA -0.743 55.362 56.100 0.009 0.000 0.905 319 R CB 1.338 31.646 30.300 0.014 0.000 1.050 319 R HN 0.082 nan 8.270 nan 0.000 0.456 320 I N 5.792 126.366 120.570 0.007 0.000 2.269 320 I HA -0.015 4.155 4.170 -0.000 0.000 0.293 320 I C 1.622 177.747 176.117 0.013 0.000 1.106 320 I CA 0.080 61.381 61.300 0.002 0.000 1.248 320 I CB 0.589 38.586 38.000 -0.004 0.000 1.444 320 I HN 0.534 nan 8.210 nan 0.000 0.497 321 V N 3.266 123.192 119.914 0.019 0.000 2.719 321 V HA 0.381 4.501 4.120 -0.000 0.000 0.252 321 V C 0.871 176.987 176.094 0.037 0.000 1.065 321 V CA 0.750 63.077 62.300 0.045 0.000 1.086 321 V CB -0.280 31.579 31.823 0.060 0.000 0.700 321 V HN 0.677 nan 8.190 nan 0.000 0.467 322 A N -0.159 122.661 122.820 0.001 0.000 2.517 322 A HA 0.753 5.073 4.320 -0.000 0.000 0.297 322 A C -0.935 176.621 177.584 -0.046 0.000 1.050 322 A CA -0.450 51.570 52.037 -0.028 0.000 0.694 322 A CB 1.896 20.867 19.000 -0.049 0.000 1.277 322 A HN 0.275 nan 8.150 nan 0.000 0.400 323 E N 1.152 121.322 120.200 -0.051 0.000 2.314 323 E HA 0.599 4.949 4.350 -0.000 0.000 0.272 323 E C -1.709 174.851 176.600 -0.067 0.000 0.884 323 E CA -0.362 56.000 56.400 -0.063 0.000 0.753 323 E CB 2.228 31.903 29.700 -0.041 0.000 1.213 323 E HN 0.680 nan 8.360 nan 0.000 0.432 324 Q N 1.341 121.090 119.800 -0.084 0.000 2.289 324 Q HA 0.493 4.833 4.340 -0.000 0.000 0.270 324 Q C -1.845 174.154 176.000 -0.002 0.000 1.038 324 Q CA -0.397 55.371 55.803 -0.058 0.000 0.812 324 Q CB 2.016 30.743 28.738 -0.019 0.000 1.300 324 Q HN 0.353 nan 8.270 nan 0.000 0.427 325 S N 2.668 118.323 115.700 -0.075 0.000 2.566 325 S HA 0.717 5.186 4.470 -0.000 0.000 0.298 325 S C -1.393 173.048 174.600 -0.265 0.000 1.083 325 S CA -0.685 57.506 58.200 -0.015 0.000 0.978 325 S CB 0.901 64.109 63.200 0.014 0.000 1.073 325 S HN 0.576 nan 8.310 nan 0.000 0.491 326 H N 1.067 120.216 119.070 0.131 0.000 2.894 326 H HA 0.373 4.929 4.556 0.000 0.000 0.367 326 H C -0.576 174.784 175.328 0.053 0.000 1.144 326 H CA -0.681 55.357 56.048 -0.016 0.000 1.180 326 H CB 1.371 31.005 29.762 -0.214 0.000 1.758 326 H HN 0.434 nan 8.280 nan 0.000 0.541 327 R N 1.995 122.577 120.500 0.137 0.000 2.340 327 R HA 0.355 4.695 4.340 -0.000 0.000 0.300 327 R C -0.221 176.117 176.300 0.064 0.000 1.069 327 R CA -0.504 55.680 56.100 0.140 0.000 0.984 327 R CB 0.826 31.197 30.300 0.118 0.000 1.003 327 R HN 0.298 nan 8.270 nan 0.000 0.459 328 I N 1.637 122.285 120.570 0.131 0.000 2.465 328 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 328 I C 0.553 176.732 176.117 0.105 0.000 1.014 328 I CA -0.571 60.705 61.300 -0.040 0.000 1.093 328 I CB 1.729 39.510 38.000 -0.365 0.000 1.267 328 I HN 0.686 nan 8.210 nan 0.000 0.431 329 G N 6.626 115.395 108.800 -0.053 0.000 2.335 329 G HA2 0.615 4.574 3.960 -0.000 0.000 0.316 329 G HA3 0.615 4.574 3.960 -0.000 0.000 0.316 329 G C -0.617 174.287 174.900 0.007 0.000 1.129 329 G CA -0.495 44.623 45.100 0.029 0.000 0.899 329 G HN 0.477 nan 8.290 nan 0.000 0.448 330 L N 4.196 125.525 121.223 0.176 0.000 2.268 330 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 330 L C 0.375 177.343 176.870 0.162 0.000 1.064 330 L CA -0.772 54.123 54.840 0.092 0.000 0.824 330 L CB 0.328 42.432 42.059 0.074 0.000 1.202 330 L HN 0.616 nan 8.230 nan 0.000 0.433 331 R N 1.736 122.294 120.500 0.096 0.000 2.690 331 R HA 0.471 4.811 4.340 -0.000 0.000 0.269 331 R C -1.166 175.187 176.300 0.088 0.000 1.037 331 R CA -0.694 55.501 56.100 0.157 0.000 0.877 331 R CB 1.229 31.715 30.300 0.309 0.000 1.255 331 R HN 0.389 nan 8.270 nan 0.000 0.467 332 T N -0.492 114.131 114.554 0.115 0.000 2.867 332 T HA 0.734 5.084 4.350 -0.000 0.000 0.282 332 T C 0.358 175.127 174.700 0.115 0.000 1.000 332 T CA -0.748 61.402 62.100 0.084 0.000 1.042 332 T CB 0.831 69.740 68.868 0.070 0.000 0.973 332 T HN 0.484 nan 8.240 nan 0.000 0.465 333 I N 2.401 123.017 120.570 0.077 0.000 2.468 333 I HA 0.454 4.624 4.170 -0.000 0.000 0.285 333 I C -0.092 176.038 176.117 0.022 0.000 1.039 333 I CA -0.822 60.533 61.300 0.092 0.000 1.074 333 I CB 2.011 40.076 38.000 0.108 0.000 1.228 333 I HN 0.591 nan 8.210 nan 0.000 0.436 334 R N 5.817 126.302 120.500 -0.026 0.000 2.480 334 R HA 0.628 4.968 4.340 -0.000 0.000 0.306 334 R C -1.486 174.584 176.300 -0.383 0.000 0.958 334 R CA -0.555 55.452 56.100 -0.156 0.000 0.861 334 R CB 1.971 32.194 30.300 -0.128 0.000 1.171 334 R HN 0.416 nan 8.270 nan 0.000 0.445 335 V N 5.588 125.118 119.914 -0.640 0.000 2.408 335 V HA 0.161 4.281 4.120 -0.000 0.000 0.267 335 V C 0.010 175.446 176.094 -1.097 0.000 1.047 335 V CA -0.546 61.017 62.300 -1.228 0.000 0.937 335 V CB 1.322 31.979 31.823 -1.944 0.000 0.999 335 V HN 0.489 nan 8.190 nan 0.000 0.472 336 V N 5.863 125.103 119.914 -1.125 0.000 2.353 336 V HA 0.270 4.390 4.120 -0.000 0.000 0.264 336 V C 0.500 176.099 176.094 -0.826 0.000 1.049 336 V CA -0.242 61.500 62.300 -0.929 0.000 0.896 336 V CB 0.666 31.784 31.823 -1.176 0.000 1.025 336 V HN 0.940 nan 8.190 nan 0.000 0.475 337 N N 4.835 123.204 118.700 -0.552 0.000 2.626 337 N HA 0.387 5.127 4.740 -0.000 0.000 0.249 337 N C -0.888 174.571 175.510 -0.085 0.000 1.021 337 N CA -0.317 52.566 53.050 -0.279 0.000 0.886 337 N CB 1.159 39.485 38.487 -0.267 0.000 1.149 337 N HN 0.747 nan 8.380 nan 0.000 0.517 338 E N 1.713 121.903 120.200 -0.018 0.000 2.356 338 E HA 0.231 4.581 4.350 -0.000 0.000 0.275 338 E C -1.038 175.605 176.600 0.072 0.000 0.904 338 E CA -0.822 55.589 56.400 0.018 0.000 0.757 338 E CB 2.429 32.126 29.700 -0.004 0.000 1.232 338 E HN 0.306 nan 8.360 nan 0.000 0.442 339 K N 2.229 122.674 120.400 0.074 0.000 2.489 339 K HA 0.050 4.370 4.320 -0.000 0.000 0.278 339 K C -0.480 176.168 176.600 0.080 0.000 1.000 339 K CA 0.762 57.100 56.287 0.084 0.000 1.012 339 K CB 0.192 32.736 32.500 0.073 0.000 0.903 339 K HN 0.471 nan 8.250 nan 0.000 0.485 340 D N 0.175 120.627 120.400 0.087 0.000 2.825 340 D HA 0.026 4.666 4.640 -0.000 0.000 0.327 340 D C 0.127 176.480 176.300 0.088 0.000 1.277 340 D CA -0.885 53.165 54.000 0.085 0.000 0.950 340 D CB 0.187 41.043 40.800 0.092 0.000 1.438 340 D HN 0.336 nan 8.370 nan 0.000 0.526 341 K N -1.011 119.444 120.400 0.091 0.000 2.362 341 K HA -0.011 4.309 4.320 -0.000 0.000 0.200 341 K C -0.002 176.669 176.600 0.119 0.000 1.046 341 K CA 1.071 57.416 56.287 0.096 0.000 0.952 341 K CB -0.122 32.434 32.500 0.094 0.000 0.753 341 K HN 0.228 nan 8.250 nan 0.000 0.466 342 D N 0.070 120.548 120.400 0.130 0.000 2.369 342 D HA 0.131 4.770 4.640 -0.000 0.000 0.211 342 D C 0.966 177.351 176.300 0.141 0.000 1.077 342 D CA 0.843 54.949 54.000 0.176 0.000 0.842 342 D CB 1.339 42.264 40.800 0.207 0.000 0.947 342 D HN 0.490 nan 8.370 nan 0.000 0.509 343 G N 1.194 110.061 108.800 0.111 0.000 1.844 343 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.177 343 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.177 343 G C -0.968 174.002 174.900 0.116 0.000 1.010 343 G CA -0.716 44.452 45.100 0.112 0.000 1.257 343 G HN 0.156 nan 8.290 nan 0.000 0.428 344 E N 1.126 121.404 120.200 0.130 0.000 2.265 344 E HA 0.523 4.873 4.350 -0.000 0.000 0.262 344 E C -0.064 176.646 176.600 0.183 0.000 0.889 344 E CA -0.080 56.424 56.400 0.174 0.000 0.789 344 E CB 2.026 31.887 29.700 0.268 0.000 1.221 344 E HN 0.746 nan 8.360 nan 0.000 0.414 345 S N 2.385 118.182 115.700 0.162 0.000 2.576 345 S HA 0.288 4.758 4.470 -0.000 0.000 0.272 345 S C -0.266 174.491 174.600 0.261 0.000 1.352 345 S CA -0.282 58.039 58.200 0.202 0.000 1.021 345 S CB 0.495 63.844 63.200 0.249 0.000 0.887 345 S HN 0.513 nan 8.310 nan 0.000 0.542 346 F N 3.400 123.422 119.950 0.120 0.000 3.164 346 F HA 0.508 5.035 4.527 -0.000 0.000 0.375 346 F C -1.225 174.602 175.800 0.046 0.000 1.257 346 F CA -0.705 57.273 58.000 -0.037 0.000 1.171 346 F CB 0.805 39.824 39.000 0.032 0.000 1.588 346 F HN 0.827 nan 8.300 nan 0.000 0.604 347 Y N 2.202 122.257 120.300 -0.409 0.000 2.638 347 Y HA 0.737 5.287 4.550 -0.000 0.000 0.335 347 Y C -2.111 173.508 175.900 -0.468 0.000 1.155 347 Y CA -2.355 55.640 58.100 -0.175 0.000 1.046 347 Y CB 1.028 39.531 38.460 0.072 0.000 1.303 347 Y HN 0.210 nan 8.280 nan 0.000 0.460 348 F N 1.406 121.386 119.950 0.050 0.000 2.415 348 F HA 0.455 4.982 4.527 -0.000 0.000 0.348 348 F C 0.080 175.979 175.800 0.165 0.000 1.119 348 F CA -0.487 57.493 58.000 -0.034 0.000 1.069 348 F CB 1.604 40.604 39.000 -0.000 0.000 1.124 348 F HN 0.460 nan 8.300 nan 0.000 0.472 349 E N 2.663 122.978 120.200 0.192 0.000 2.133 349 E HA 0.504 4.854 4.350 -0.000 0.000 0.274 349 E C -1.303 175.447 176.600 0.249 0.000 0.930 349 E CA -0.599 55.957 56.400 0.260 0.000 0.770 349 E CB 1.979 31.778 29.700 0.165 0.000 1.104 349 E HN 0.320 nan 8.360 nan 0.000 0.403 350 V N 4.734 124.856 119.914 0.346 0.000 2.444 350 V HA 0.170 4.290 4.120 -0.000 0.000 0.294 350 V C 0.057 176.365 176.094 0.356 0.000 1.022 350 V CA -1.012 61.502 62.300 0.357 0.000 0.850 350 V CB 1.451 33.510 31.823 0.394 0.000 0.992 350 V HN 0.797 nan 8.190 nan 0.000 0.426 351 N N 3.982 122.836 118.700 0.257 0.000 2.727 351 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 351 N C 1.244 176.839 175.510 0.141 0.000 1.048 351 N CA 1.390 54.553 53.050 0.188 0.000 0.714 351 N CB -0.937 37.668 38.487 0.197 0.000 0.959 351 N HN 1.563 nan 8.380 nan 0.000 0.544 352 G N -1.163 107.722 108.800 0.141 0.000 2.189 352 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.267 352 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.267 352 G C 0.129 175.110 174.900 0.135 0.000 0.975 352 G CA 0.628 45.796 45.100 0.114 0.000 0.644 352 G HN 0.553 nan 8.290 nan 0.000 0.537 353 I N 1.804 122.488 120.570 0.190 0.000 2.378 353 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 353 I C -2.229 174.116 176.117 0.379 0.000 0.992 353 I CA -2.678 58.741 61.300 0.199 0.000 1.154 353 I CB 2.121 40.117 38.000 -0.008 0.000 1.315 353 I HN -0.186 nan 8.210 nan 0.000 0.448 354 P HA 0.103 nan 4.420 nan 0.000 0.271 354 P C -0.771 176.809 177.300 0.467 0.000 1.226 354 P CA -0.063 63.257 63.100 0.368 0.000 0.765 354 P CB 0.590 32.362 31.700 0.120 0.000 0.835 355 M N 5.371 125.226 119.600 0.424 0.000 2.125 355 M HA 0.370 4.850 4.480 -0.000 0.000 0.321 355 M C -1.180 175.227 176.300 0.179 0.000 0.983 355 M CA -1.190 54.239 55.300 0.215 0.000 0.934 355 M CB 0.714 33.235 32.600 -0.132 0.000 1.542 355 M HN 0.157 nan 8.290 nan 0.000 0.424 356 F N 4.445 124.415 119.950 0.032 0.000 2.506 356 F HA 0.501 5.028 4.527 -0.000 0.000 0.371 356 F C 0.084 175.827 175.800 -0.095 0.000 1.078 356 F CA -0.299 57.713 58.000 0.019 0.000 1.195 356 F CB 0.602 39.603 39.000 0.002 0.000 1.099 356 F HN 0.677 nan 8.300 nan 0.000 0.548 357 A N 6.990 129.593 122.820 -0.361 0.000 2.363 357 A HA 0.505 4.825 4.320 -0.000 0.000 0.270 357 A C -0.694 176.669 177.584 -0.369 0.000 1.121 357 A CA -0.564 51.299 52.037 -0.291 0.000 0.800 357 A CB 0.348 19.298 19.000 -0.083 0.000 1.052 357 A HN 0.823 nan 8.150 nan 0.000 0.493 358 K N 1.876 122.022 120.400 -0.423 0.000 2.601 358 K HA 0.613 4.933 4.320 -0.000 0.000 0.249 358 K C -0.030 176.177 176.600 -0.654 0.000 0.966 358 K CA -0.142 55.623 56.287 -0.869 0.000 0.827 358 K CB 2.205 33.845 32.500 -1.434 0.000 1.178 358 K HN 1.094 nan 8.250 nan 0.000 0.437 359 G N 1.038 109.651 108.800 -0.313 0.000 2.435 359 G HA2 0.699 4.659 3.960 -0.000 0.000 0.228 359 G HA3 0.699 4.659 3.960 -0.000 0.000 0.228 359 G C -1.824 172.914 174.900 -0.271 0.000 1.198 359 G CA -0.101 44.905 45.100 -0.157 0.000 0.948 359 G HN 0.663 nan 8.290 nan 0.000 0.487 360 A N -0.963 121.596 122.820 -0.435 0.000 2.599 360 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 360 A C -1.243 176.039 177.584 -0.503 0.000 1.101 360 A CA -0.716 50.863 52.037 -0.762 0.000 0.674 360 A CB 1.036 19.325 19.000 -1.186 0.000 1.277 360 A HN 0.596 nan 8.150 nan 0.000 0.419 361 N N 0.683 119.031 118.700 -0.586 0.000 2.472 361 N HA 0.334 5.074 4.740 -0.000 0.000 0.277 361 N C -1.538 173.591 175.510 -0.635 0.000 1.081 361 N CA 0.227 52.962 53.050 -0.527 0.000 0.973 361 N CB 1.380 39.524 38.487 -0.573 0.000 1.105 361 N HN 0.634 nan 8.380 nan 0.000 0.470 362 Y N 3.622 123.621 120.300 -0.503 0.000 2.330 362 Y HA 0.467 5.017 4.550 0.000 0.000 0.336 362 Y C -0.086 175.552 175.900 -0.436 0.000 1.036 362 Y CA -0.847 56.979 58.100 -0.457 0.000 1.125 362 Y CB 0.597 38.898 38.460 -0.266 0.000 1.194 362 Y HN 0.444 nan 8.280 nan 0.000 0.469 363 I N 3.791 123.635 120.570 -1.210 0.000 3.023 363 I HA 0.752 4.922 4.170 -0.000 0.000 0.312 363 I C -2.800 172.586 176.117 -1.219 0.000 1.056 363 I CA -3.234 57.449 61.300 -1.028 0.000 1.033 363 I CB 1.808 39.023 38.000 -1.307 0.000 1.233 363 I HN 0.390 nan 8.210 nan 0.000 0.462 364 P HA 0.061 nan 4.420 nan 0.000 0.267 364 P C -0.600 176.418 177.300 -0.471 0.000 1.201 364 P CA 0.146 62.883 63.100 -0.604 0.000 0.775 364 P CB 0.380 31.629 31.700 -0.753 0.000 0.854 365 Q N 0.274 119.929 119.800 -0.241 0.000 2.403 365 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 365 Q C 0.079 176.122 176.000 0.071 0.000 0.932 365 Q CA 0.728 56.443 55.803 -0.147 0.000 0.945 365 Q CB 0.329 28.970 28.738 -0.161 0.000 1.045 365 Q HN 0.494 nan 8.270 nan 0.000 0.511 366 D N -2.164 118.322 120.400 0.143 0.000 2.706 366 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 366 D C -0.281 176.225 176.300 0.343 0.000 1.241 366 D CA -0.025 54.168 54.000 0.322 0.000 0.784 366 D CB 1.538 42.537 40.800 0.331 0.000 1.521 366 D HN -0.045 nan 8.370 nan 0.000 0.461 367 A N 2.643 125.678 122.820 0.357 0.000 1.986 367 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 367 A C 1.067 178.715 177.584 0.108 0.000 1.171 367 A CA 1.111 53.282 52.037 0.223 0.000 0.640 367 A CB -0.178 18.942 19.000 0.200 0.000 0.811 367 A HN 0.493 nan 8.150 nan 0.000 0.451 368 L N 0.484 121.799 121.223 0.153 0.000 2.313 368 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 368 L C 0.581 177.541 176.870 0.151 0.000 1.028 368 L CA -0.522 54.360 54.840 0.071 0.000 0.871 368 L CB 1.303 43.366 42.059 0.006 0.000 1.242 368 L HN 0.237 nan 8.230 nan 0.000 0.434 369 L N 3.270 124.604 121.223 0.184 0.000 2.042 369 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 369 L C -0.455 176.588 176.870 0.288 0.000 1.076 369 L CA 1.459 56.470 54.840 0.284 0.000 0.749 369 L CB -1.214 41.084 42.059 0.399 0.000 0.893 369 L HN 0.509 nan 8.230 nan 0.000 0.432 370 P HA -0.064 nan 4.420 nan 0.000 0.234 370 P C 0.725 178.112 177.300 0.145 0.000 1.167 370 P CA 0.843 64.055 63.100 0.187 0.000 0.763 370 P CB -0.085 31.686 31.700 0.119 0.000 0.835 371 N N -0.847 117.935 118.700 0.136 0.000 2.453 371 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 371 N C 0.074 175.665 175.510 0.134 0.000 1.041 371 N CA 0.475 53.597 53.050 0.121 0.000 0.900 371 N CB -0.514 38.047 38.487 0.122 0.000 0.961 371 N HN 0.041 nan 8.380 nan 0.000 0.443 372 V N 2.390 122.401 119.914 0.160 0.000 2.415 372 V HA 0.069 4.189 4.120 -0.000 0.000 0.267 372 V C 0.928 177.145 176.094 0.205 0.000 1.042 372 V CA -0.464 61.908 62.300 0.121 0.000 1.000 372 V CB -0.005 31.831 31.823 0.023 0.000 1.015 372 V HN 0.237 nan 8.190 nan 0.000 0.478 373 T N 1.505 116.151 114.554 0.152 0.000 2.788 373 T HA 0.107 4.457 4.350 -0.000 0.000 0.287 373 T C 1.431 176.310 174.700 0.299 0.000 1.007 373 T CA 0.102 62.315 62.100 0.189 0.000 1.005 373 T CB 0.916 69.856 68.868 0.120 0.000 1.012 373 T HN 0.583 nan 8.240 nan 0.000 0.530 374 T N 1.113 115.811 114.554 0.241 0.000 2.665 374 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 374 T C 1.815 176.647 174.700 0.221 0.000 1.035 374 T CA 1.972 64.211 62.100 0.232 0.000 1.151 374 T CB -0.487 68.451 68.868 0.118 0.000 0.862 374 T HN 0.754 nan 8.240 nan 0.000 0.438 375 E N 0.750 121.040 120.200 0.149 0.000 2.077 375 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 375 E C 2.437 179.102 176.600 0.108 0.000 0.989 375 E CA 0.918 57.384 56.400 0.111 0.000 0.800 375 E CB -0.153 29.594 29.700 0.079 0.000 0.746 375 E HN 0.376 nan 8.360 nan 0.000 0.452 376 R N -0.714 119.841 120.500 0.093 0.000 2.081 376 R HA -0.134 4.205 4.340 -0.000 0.000 0.235 376 R C 2.095 178.405 176.300 0.018 0.000 1.131 376 R CA 1.378 57.486 56.100 0.012 0.000 0.960 376 R CB -0.383 29.880 30.300 -0.062 0.000 0.856 376 R HN 0.248 nan 8.270 nan 0.000 0.436 377 Y N 1.160 121.531 120.300 0.119 0.000 2.097 377 Y HA -0.286 4.264 4.550 0.000 0.000 0.282 377 Y C 2.586 178.600 175.900 0.189 0.000 1.152 377 Y CA 1.728 59.932 58.100 0.174 0.000 1.136 377 Y CB -0.388 38.177 38.460 0.175 0.000 0.975 377 Y HN 0.120 nan 8.280 nan 0.000 0.498 378 Q N -0.875 119.099 119.800 0.291 0.000 2.112 378 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 378 Q C 2.139 178.240 176.000 0.169 0.000 0.987 378 Q CA 2.291 58.211 55.803 0.195 0.000 0.858 378 Q CB -0.466 28.345 28.738 0.122 0.000 0.905 378 Q HN 0.446 nan 8.270 nan 0.000 0.420 379 T N 1.062 115.690 114.554 0.123 0.000 2.777 379 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 379 T C 1.666 176.404 174.700 0.063 0.000 1.040 379 T CA 0.734 62.885 62.100 0.086 0.000 1.141 379 T CB -0.192 68.708 68.868 0.054 0.000 0.868 379 T HN 0.079 nan 8.240 nan 0.000 0.444 380 L N 0.581 121.817 121.223 0.021 0.000 2.017 380 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 380 L C 1.932 178.688 176.870 -0.191 0.000 1.073 380 L CA 1.587 56.364 54.840 -0.104 0.000 0.745 380 L CB -1.073 40.899 42.059 -0.146 0.000 0.894 380 L HN 0.212 nan 8.230 nan 0.000 0.432 381 F N -0.359 119.552 119.950 -0.065 0.000 2.171 381 F HA -0.203 4.324 4.527 0.000 0.000 0.300 381 F C 2.765 178.551 175.800 -0.023 0.000 1.090 381 F CA 1.685 59.630 58.000 -0.093 0.000 1.293 381 F CB -0.421 38.492 39.000 -0.145 0.000 1.013 381 F HN 0.087 nan 8.300 nan 0.000 0.486 382 R N 0.660 121.254 120.500 0.157 0.000 2.081 382 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 382 R C 1.752 178.157 176.300 0.175 0.000 1.131 382 R CA 2.036 58.222 56.100 0.144 0.000 0.960 382 R CB -0.470 29.909 30.300 0.131 0.000 0.856 382 R HN 0.170 nan 8.270 nan 0.000 0.436 383 D N 0.446 120.939 120.400 0.156 0.000 2.123 383 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 383 D C 1.994 178.361 176.300 0.112 0.000 0.992 383 D CA 1.596 55.699 54.000 0.171 0.000 0.833 383 D CB -0.198 40.542 40.800 -0.099 0.000 0.954 383 D HN 0.354 nan 8.370 nan 0.000 0.455 384 M N 0.211 119.803 119.600 -0.014 0.000 2.099 384 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 384 M C 2.266 178.583 176.300 0.028 0.000 1.067 384 M CA 1.146 56.428 55.300 -0.031 0.000 1.124 384 M CB -0.172 32.316 32.600 -0.186 0.000 1.353 384 M HN -0.112 nan 8.290 nan 0.000 0.410 385 K N 0.818 121.254 120.400 0.060 0.000 2.057 385 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 385 K C 1.619 178.282 176.600 0.105 0.000 1.049 385 K CA 1.591 57.922 56.287 0.073 0.000 0.931 385 K CB -0.008 32.543 32.500 0.085 0.000 0.714 385 K HN 0.331 nan 8.250 nan 0.000 0.440 386 E N -0.613 119.690 120.200 0.173 0.000 2.268 386 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 386 E C 1.094 177.838 176.600 0.240 0.000 0.995 386 E CA 0.704 57.253 56.400 0.249 0.000 0.836 386 E CB 0.101 30.041 29.700 0.399 0.000 0.763 386 E HN 0.386 nan 8.360 nan 0.000 0.491 387 A N 0.564 123.455 122.820 0.118 0.000 2.337 387 A HA 0.081 4.401 4.320 -0.000 0.000 0.227 387 A C 0.116 177.765 177.584 0.107 0.000 1.259 387 A CA 0.075 52.102 52.037 -0.016 0.000 0.870 387 A CB -0.448 18.312 19.000 -0.400 0.000 0.927 387 A HN 0.378 nan 8.150 nan 0.000 0.497 388 N N -1.577 117.186 118.700 0.105 0.000 2.782 388 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 388 N C -0.179 175.344 175.510 0.021 0.000 1.101 388 N CA 0.801 53.903 53.050 0.086 0.000 0.764 388 N CB -1.453 37.112 38.487 0.129 0.000 1.122 388 N HN 0.605 nan 8.380 nan 0.000 0.561 389 M N 0.679 120.285 119.600 0.011 0.000 2.241 389 M HA 0.158 4.638 4.480 -0.000 0.000 0.335 389 M C 1.212 177.415 176.300 -0.162 0.000 1.122 389 M CA 0.315 55.545 55.300 -0.117 0.000 1.164 389 M CB 0.426 32.988 32.600 -0.064 0.000 1.459 389 M HN 0.260 nan 8.290 nan 0.000 0.461 390 N N 1.174 119.735 118.700 -0.233 0.000 2.143 390 N HA 0.277 5.017 4.740 -0.000 0.000 0.222 390 N C -0.652 174.753 175.510 -0.175 0.000 1.264 390 N CA -0.220 52.705 53.050 -0.208 0.000 0.897 390 N CB 0.764 39.072 38.487 -0.299 0.000 1.092 390 N HN 0.699 nan 8.380 nan 0.000 0.516 391 M N 0.370 119.864 119.600 -0.177 0.000 2.470 391 M HA 0.514 4.994 4.480 -0.000 0.000 0.285 391 M C -2.100 174.128 176.300 -0.119 0.000 1.213 391 M CA -0.926 54.292 55.300 -0.137 0.000 0.901 391 M CB 2.562 35.057 32.600 -0.175 0.000 1.718 391 M HN -0.167 nan 8.290 nan 0.000 0.469 392 V N 3.951 123.825 119.914 -0.067 0.000 2.709 392 V HA 0.637 4.756 4.120 -0.000 0.000 0.308 392 V C -1.264 174.825 176.094 -0.009 0.000 1.062 392 V CA -0.648 61.603 62.300 -0.082 0.000 0.901 392 V CB 2.234 33.994 31.823 -0.105 0.000 1.003 392 V HN 0.967 nan 8.190 nan 0.000 0.425 393 R N 5.988 126.435 120.500 -0.088 0.000 2.221 393 R HA 0.518 4.858 4.340 -0.000 0.000 0.327 393 R C -0.751 175.549 176.300 -0.000 0.000 1.033 393 R CA -0.462 55.567 56.100 -0.118 0.000 0.887 393 R CB 0.724 30.743 30.300 -0.467 0.000 1.057 393 R HN 0.767 nan 8.270 nan 0.000 0.455 394 I N 6.186 126.799 120.570 0.073 0.000 2.278 394 I HA 0.078 4.248 4.170 -0.000 0.000 0.296 394 I C 0.034 176.249 176.117 0.163 0.000 1.121 394 I CA -0.412 60.944 61.300 0.093 0.000 1.267 394 I CB 0.106 38.072 38.000 -0.058 0.000 1.447 394 I HN 0.621 nan 8.210 nan 0.000 0.509 395 W N 6.061 127.341 121.300 -0.033 0.000 2.158 395 W HA 0.299 4.959 4.660 -0.000 0.000 0.339 395 W C 1.317 177.825 176.519 -0.020 0.000 1.294 395 W CA -0.436 56.928 57.345 0.032 0.000 1.231 395 W CB 0.914 30.467 29.460 0.154 0.000 1.143 395 W HN 0.546 nan 8.180 nan 0.000 0.571 396 G N 2.590 111.009 108.800 -0.634 0.000 2.882 396 G HA2 0.038 3.998 3.960 -0.000 0.000 0.206 396 G HA3 0.038 3.998 3.960 -0.000 0.000 0.206 396 G C 0.957 175.263 174.900 -0.991 0.000 1.155 396 G CA 0.368 45.077 45.100 -0.652 0.000 0.800 396 G HN 0.855 nan 8.290 nan 0.000 0.524 397 G N -0.554 107.070 108.800 -1.960 0.000 3.088 397 G HA2 0.432 4.392 3.960 -0.000 0.000 0.217 397 G HA3 0.432 4.392 3.960 -0.000 0.000 0.217 397 G C 0.834 175.398 174.900 -0.561 0.000 1.159 397 G CA 0.659 44.846 45.100 -1.521 0.000 0.760 397 G HN 0.504 nan 8.290 nan 0.000 0.550 398 G N 0.199 108.771 108.800 -0.380 0.000 3.434 398 G HA2 0.503 4.463 3.960 -0.000 0.000 0.192 398 G HA3 0.503 4.463 3.960 -0.000 0.000 0.192 398 G C 0.114 174.955 174.900 -0.098 0.000 1.704 398 G CA 0.608 45.616 45.100 -0.152 0.000 0.936 398 G HN 0.572 nan 8.290 nan 0.000 0.623 399 T N -2.848 111.660 114.554 -0.077 0.000 2.916 399 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 399 T C -1.083 173.535 174.700 -0.137 0.000 1.055 399 T CA -0.724 61.370 62.100 -0.010 0.000 1.009 399 T CB 1.511 70.591 68.868 0.354 0.000 1.118 399 T HN 0.276 nan 8.240 nan 0.000 0.497 400 Y N 1.673 121.970 120.300 -0.004 0.000 2.677 400 Y HA 0.221 4.771 4.550 -0.000 0.000 0.335 400 Y C 1.447 177.476 175.900 0.215 0.000 1.162 400 Y CA -0.208 57.938 58.100 0.076 0.000 1.483 400 Y CB 0.022 38.532 38.460 0.084 0.000 1.209 400 Y HN 0.518 nan 8.280 nan 0.000 0.528 401 E N 2.819 123.187 120.200 0.280 0.000 2.409 401 E HA -0.029 4.321 4.350 -0.000 0.000 0.257 401 E C 0.069 176.889 176.600 0.366 0.000 1.150 401 E CA -0.282 56.247 56.400 0.216 0.000 0.942 401 E CB 0.411 29.864 29.700 -0.412 0.000 0.979 401 E HN 0.728 nan 8.360 nan 0.000 0.447 402 N N 1.344 120.203 118.700 0.265 0.000 2.326 402 N HA -0.041 4.699 4.740 -0.000 0.000 0.239 402 N C 0.524 176.152 175.510 0.196 0.000 1.301 402 N CA -0.165 52.976 53.050 0.151 0.000 0.909 402 N CB 0.244 38.740 38.487 0.014 0.000 1.156 402 N HN 0.217 nan 8.380 nan 0.000 0.462 403 N N -0.316 118.448 118.700 0.106 0.000 2.166 403 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 403 N C 1.480 177.033 175.510 0.072 0.000 1.019 403 N CA 0.597 53.724 53.050 0.130 0.000 0.856 403 N CB -0.566 37.978 38.487 0.095 0.000 0.993 403 N HN 0.537 nan 8.380 nan 0.000 0.426 404 L N 0.684 121.872 121.223 -0.058 0.000 2.021 404 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 404 L C 2.093 178.819 176.870 -0.239 0.000 1.074 404 L CA 1.466 56.198 54.840 -0.181 0.000 0.760 404 L CB -1.061 40.798 42.059 -0.333 0.000 0.889 404 L HN 0.097 nan 8.230 nan 0.000 0.433 405 F N -0.726 119.014 119.950 -0.351 0.000 2.043 405 F HA -0.366 4.161 4.527 -0.000 0.000 0.297 405 F C 2.171 177.687 175.800 -0.474 0.000 1.121 405 F CA 2.217 60.056 58.000 -0.269 0.000 1.199 405 F CB -0.564 38.339 39.000 -0.161 0.000 0.968 405 F HN 0.186 nan 8.300 nan 0.000 0.478 406 Y N 0.355 120.579 120.300 -0.126 0.000 2.293 406 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 406 Y C 2.399 178.040 175.900 -0.432 0.000 1.137 406 Y CA 1.153 58.990 58.100 -0.439 0.000 1.202 406 Y CB -0.812 37.004 38.460 -1.073 0.000 0.990 406 Y HN 0.087 nan 8.280 nan 0.000 0.537 407 D N 0.312 120.635 120.400 -0.128 0.000 2.123 407 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 407 D C 2.153 178.306 176.300 -0.246 0.000 0.992 407 D CA 1.302 55.274 54.000 -0.048 0.000 0.833 407 D CB -0.393 40.399 40.800 -0.013 0.000 0.954 407 D HN 0.322 nan 8.370 nan 0.000 0.455 408 L N 0.555 121.445 121.223 -0.556 0.000 2.093 408 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 408 L C 2.557 178.810 176.870 -1.028 0.000 1.085 408 L CA 1.010 55.324 54.840 -0.877 0.000 0.755 408 L CB -0.349 40.933 42.059 -1.295 0.000 0.904 408 L HN -0.036 nan 8.230 nan 0.000 0.435 409 A N -0.071 122.072 122.820 -1.128 0.000 1.902 409 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 409 A C 1.911 179.472 177.584 -0.038 0.000 1.181 409 A CA 1.926 53.706 52.037 -0.429 0.000 0.623 409 A CB -0.534 18.333 19.000 -0.221 0.000 0.818 409 A HN 0.346 nan 8.150 nan 0.000 0.443 410 D N -0.052 120.352 120.400 0.007 0.000 2.116 410 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 410 D C 1.921 178.439 176.300 0.362 0.000 0.998 410 D CA 1.771 55.928 54.000 0.262 0.000 0.836 410 D CB -0.395 40.514 40.800 0.182 0.000 0.951 410 D HN 0.890 nan 8.370 nan 0.000 0.449 411 E N -0.404 119.856 120.200 0.101 0.000 2.478 411 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 411 E C 0.949 177.550 176.600 0.001 0.000 1.045 411 E CA 0.311 56.748 56.400 0.061 0.000 0.868 411 E CB 0.045 29.750 29.700 0.007 0.000 0.885 411 E HN 0.103 nan 8.360 nan 0.000 0.505 412 N N 0.472 119.165 118.700 -0.011 0.000 2.184 412 N HA 0.076 4.816 4.740 -0.000 0.000 0.206 412 N C 0.556 176.050 175.510 -0.027 0.000 1.151 412 N CA 0.683 53.728 53.050 -0.009 0.000 0.878 412 N CB 1.452 39.964 38.487 0.041 0.000 1.014 412 N HN 0.362 nan 8.380 nan 0.000 0.512 413 G N 1.725 110.509 108.800 -0.028 0.000 2.176 413 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 413 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 413 G C -0.059 174.827 174.900 -0.023 0.000 1.024 413 G CA -0.107 44.849 45.100 -0.241 0.000 0.755 413 G HN 0.312 nan 8.290 nan 0.000 0.507 414 I N 0.673 121.339 120.570 0.160 0.000 2.307 414 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 414 I C 0.606 176.834 176.117 0.186 0.000 1.021 414 I CA -1.100 60.276 61.300 0.126 0.000 1.224 414 I CB 1.015 39.080 38.000 0.109 0.000 1.376 414 I HN -0.097 nan 8.210 nan 0.000 0.470 415 L N 7.436 128.736 121.223 0.127 0.000 2.456 415 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 415 L C 0.031 176.927 176.870 0.044 0.000 1.189 415 L CA 0.408 55.297 54.840 0.081 0.000 0.846 415 L CB 0.683 42.718 42.059 -0.040 0.000 1.111 415 L HN 0.277 nan 8.230 nan 0.000 0.475 416 V N 2.575 122.529 119.914 0.066 0.000 2.384 416 V HA 0.246 4.366 4.120 -0.000 0.000 0.287 416 V C -0.650 175.535 176.094 0.152 0.000 1.020 416 V CA -0.744 61.618 62.300 0.103 0.000 0.850 416 V CB 1.448 33.340 31.823 0.116 0.000 0.987 416 V HN 0.715 nan 8.190 nan 0.000 0.436 417 W N 5.899 127.191 121.300 -0.012 0.000 2.332 417 W HA 0.554 5.214 4.660 -0.000 0.000 0.306 417 W C -0.484 176.020 176.519 -0.025 0.000 1.149 417 W CA -1.083 56.281 57.345 0.032 0.000 1.271 417 W CB 1.363 30.898 29.460 0.126 0.000 1.243 417 W HN 0.630 nan 8.180 nan 0.000 0.459 418 Q N 4.871 124.775 119.800 0.173 0.000 2.394 418 Q HA 0.222 4.562 4.340 -0.000 0.000 0.259 418 Q C -0.835 175.254 176.000 0.148 0.000 1.021 418 Q CA -0.179 55.636 55.803 0.020 0.000 0.805 418 Q CB 0.603 29.066 28.738 -0.458 0.000 1.226 418 Q HN 0.298 nan 8.270 nan 0.000 0.476 419 D N 2.834 123.396 120.400 0.270 0.000 2.362 419 D HA 0.132 4.772 4.640 -0.000 0.000 0.242 419 D C -0.337 176.036 176.300 0.123 0.000 1.132 419 D CA 0.194 54.355 54.000 0.269 0.000 0.907 419 D CB 0.412 41.328 40.800 0.193 0.000 1.195 419 D HN 0.421 nan 8.370 nan 0.000 0.429 420 F N 0.588 120.764 119.950 0.376 0.000 2.444 420 F HA 0.105 4.632 4.527 -0.000 0.000 0.331 420 F C 1.459 177.193 175.800 -0.109 0.000 1.167 420 F CA -0.420 57.777 58.000 0.328 0.000 1.262 420 F CB 0.399 39.757 39.000 0.598 0.000 1.196 420 F HN 0.021 nan 8.300 nan 0.000 0.583 421 M N 3.686 123.008 119.600 -0.464 0.000 3.596 421 M HA 0.182 4.662 4.480 -0.000 0.000 0.219 421 M C -1.538 174.231 176.300 -0.885 0.000 1.471 421 M CA 0.388 55.192 55.300 -0.828 0.000 1.644 421 M CB -1.734 30.074 32.600 -1.321 0.000 1.083 421 M HN 0.300 nan 8.290 nan 0.000 0.579 422 F N 0.558 120.439 119.950 -0.115 0.000 2.585 422 F HA 0.668 5.195 4.527 -0.000 0.000 0.319 422 F C -0.210 175.628 175.800 0.062 0.000 1.165 422 F CA -0.995 56.960 58.000 -0.076 0.000 0.949 422 F CB 1.669 40.629 39.000 -0.067 0.000 1.218 422 F HN 0.327 nan 8.300 nan 0.000 0.453 423 A N 1.369 124.437 122.820 0.413 0.000 2.402 423 A HA 0.615 4.934 4.320 -0.000 0.000 0.291 423 A C 0.186 178.079 177.584 0.515 0.000 1.051 423 A CA -0.679 51.538 52.037 0.301 0.000 0.716 423 A CB 0.692 19.614 19.000 -0.130 0.000 1.223 423 A HN 1.151 nan 8.150 nan 0.000 0.425 424 C N 0.319 119.873 119.300 0.423 0.000 4.663 424 C HA -0.134 4.326 4.460 -0.000 0.000 0.272 424 C C 1.029 176.239 174.990 0.368 0.000 1.566 424 C CA 1.601 60.875 59.018 0.427 0.000 1.735 424 C CB -2.436 25.672 27.740 0.613 0.000 1.857 424 C HN 1.401 nan 8.230 nan 0.000 0.674 425 T N 0.867 115.579 114.554 0.263 0.000 2.907 425 T HA 0.635 4.985 4.350 -0.000 0.000 0.292 425 T C -2.662 172.105 174.700 0.111 0.000 1.043 425 T CA -1.351 60.821 62.100 0.121 0.000 1.003 425 T CB 2.284 71.068 68.868 -0.140 0.000 1.084 425 T HN 0.065 nan 8.240 nan 0.000 0.483 426 P HA 0.297 nan 4.420 nan 0.000 0.274 426 P C -1.344 175.909 177.300 -0.078 0.000 1.246 426 P CA -0.168 63.068 63.100 0.227 0.000 0.795 426 P CB 0.486 32.324 31.700 0.231 0.000 1.006 427 Y N -0.905 119.419 120.300 0.041 0.000 2.602 427 Y HA 0.421 4.971 4.550 0.000 0.000 0.342 427 Y C -1.703 173.961 175.900 -0.392 0.000 1.029 427 Y CA -2.261 55.635 58.100 -0.341 0.000 1.080 427 Y CB 0.724 39.143 38.460 -0.069 0.000 1.284 427 Y HN 0.270 nan 8.280 nan 0.000 0.485 428 P HA -0.007 nan 4.420 nan 0.000 0.270 428 P C -0.294 176.864 177.300 -0.237 0.000 1.216 428 P CA 0.472 63.323 63.100 -0.416 0.000 0.788 428 P CB 0.439 31.655 31.700 -0.806 0.000 0.883 429 S N -2.661 113.037 115.700 -0.003 0.000 3.078 429 S HA 0.088 4.558 4.470 -0.000 0.000 0.248 429 S C -0.094 174.574 174.600 0.113 0.000 0.857 429 S CA -0.742 57.514 58.200 0.093 0.000 1.139 429 S CB -0.752 62.471 63.200 0.038 0.000 1.186 429 S HN 0.521 nan 8.310 nan 0.000 0.567 430 D N 1.646 122.131 120.400 0.141 0.000 2.360 430 D HA 0.186 4.826 4.640 -0.000 0.000 0.242 430 D C -2.016 174.366 176.300 0.136 0.000 1.184 430 D CA -1.100 52.976 54.000 0.127 0.000 0.930 430 D CB 0.695 41.574 40.800 0.133 0.000 1.161 430 D HN -0.027 nan 8.370 nan 0.000 0.447 431 P HA -0.118 nan 4.420 nan 0.000 0.216 431 P C 1.459 178.805 177.300 0.077 0.000 1.153 431 P CA 1.556 64.692 63.100 0.060 0.000 0.848 431 P CB 0.000 31.721 31.700 0.035 0.000 0.787 432 T N -0.730 113.885 114.554 0.102 0.000 2.665 432 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 432 T C 1.477 176.260 174.700 0.139 0.000 1.035 432 T CA 1.371 63.537 62.100 0.109 0.000 1.151 432 T CB -1.090 67.853 68.868 0.125 0.000 0.862 432 T HN 0.041 nan 8.240 nan 0.000 0.438 433 F N 1.303 121.292 119.950 0.065 0.000 2.146 433 F HA 0.057 4.584 4.527 0.000 0.000 0.298 433 F C 1.930 177.753 175.800 0.038 0.000 1.096 433 F CA 1.001 59.051 58.000 0.083 0.000 1.275 433 F CB -0.342 38.722 39.000 0.107 0.000 1.008 433 F HN 0.052 nan 8.300 nan 0.000 0.480 434 L N -0.250 121.020 121.223 0.080 0.000 2.201 434 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 434 L C 2.319 179.118 176.870 -0.117 0.000 1.105 434 L CA 1.048 55.853 54.840 -0.059 0.000 0.775 434 L CB -0.557 41.487 42.059 -0.023 0.000 0.913 434 L HN 0.070 nan 8.230 nan 0.000 0.440 435 K N 0.551 120.911 120.400 -0.067 0.000 2.031 435 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 435 K C 2.138 178.685 176.600 -0.088 0.000 1.049 435 K CA 1.235 57.485 56.287 -0.062 0.000 0.939 435 K CB -0.052 32.437 32.500 -0.019 0.000 0.717 435 K HN 0.053 nan 8.250 nan 0.000 0.438 436 R N -0.378 120.058 120.500 -0.107 0.000 2.113 436 R HA -0.155 4.185 4.340 -0.000 0.000 0.244 436 R C 2.155 178.356 176.300 -0.166 0.000 1.142 436 R CA 1.782 57.804 56.100 -0.129 0.000 0.953 436 R CB -0.708 29.491 30.300 -0.169 0.000 0.860 436 R HN 0.028 nan 8.270 nan 0.000 0.438 437 V N 0.808 120.563 119.914 -0.264 0.000 2.358 437 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 437 V C 2.281 178.286 176.094 -0.149 0.000 1.047 437 V CA 1.797 63.986 62.300 -0.186 0.000 1.035 437 V CB -0.483 31.204 31.823 -0.228 0.000 0.658 437 V HN 0.387 nan 8.190 nan 0.000 0.452 438 E N 0.395 120.492 120.200 -0.171 0.000 2.070 438 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 438 E C 2.228 178.742 176.600 -0.145 0.000 1.004 438 E CA 1.734 58.037 56.400 -0.162 0.000 0.805 438 E CB -0.240 29.383 29.700 -0.129 0.000 0.744 438 E HN 0.574 nan 8.360 nan 0.000 0.451 439 A N 1.411 124.164 122.820 -0.111 0.000 1.902 439 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 439 A C 2.059 179.589 177.584 -0.090 0.000 1.181 439 A CA 1.817 53.794 52.037 -0.100 0.000 0.623 439 A CB -0.726 18.228 19.000 -0.076 0.000 0.818 439 A HN 0.580 nan 8.150 nan 0.000 0.443 440 E N 0.079 120.244 120.200 -0.059 0.000 2.150 440 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 440 E C 1.940 178.479 176.600 -0.101 0.000 0.985 440 E CA 1.078 57.468 56.400 -0.017 0.000 0.814 440 E CB -0.335 29.435 29.700 0.118 0.000 0.752 440 E HN 0.459 nan 8.360 nan 0.000 0.466 441 A N 1.380 124.136 122.820 -0.108 0.000 1.855 441 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 441 A C 2.488 179.901 177.584 -0.285 0.000 1.191 441 A CA 1.378 53.340 52.037 -0.124 0.000 0.613 441 A CB -0.742 18.123 19.000 -0.225 0.000 0.829 441 A HN 0.191 nan 8.150 nan 0.000 0.442 442 V N -1.209 118.497 119.914 -0.347 0.000 2.295 442 V HA -0.281 3.838 4.120 -0.000 0.000 0.246 442 V C 2.361 178.177 176.094 -0.463 0.000 1.049 442 V CA 2.162 64.104 62.300 -0.597 0.000 1.024 442 V CB -1.083 30.357 31.823 -0.639 0.000 0.648 442 V HN 0.697 nan 8.190 nan 0.000 0.447 443 Y N 1.901 121.980 120.300 -0.367 0.000 2.081 443 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 443 Y C 2.556 178.291 175.900 -0.275 0.000 1.163 443 Y CA 2.269 60.194 58.100 -0.292 0.000 1.135 443 Y CB -0.423 37.890 38.460 -0.244 0.000 0.970 443 Y HN 0.291 nan 8.280 nan 0.000 0.498 444 N N 0.244 118.726 118.700 -0.364 0.000 2.216 444 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 444 N C 1.971 177.327 175.510 -0.257 0.000 1.017 444 N CA 1.644 54.452 53.050 -0.403 0.000 0.861 444 N CB -0.195 37.962 38.487 -0.549 0.000 0.986 444 N HN 0.437 nan 8.380 nan 0.000 0.428 445 I N 1.396 121.771 120.570 -0.325 0.000 2.179 445 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 445 I C 2.532 178.506 176.117 -0.238 0.000 1.088 445 I CA 1.178 62.324 61.300 -0.257 0.000 1.357 445 I CB -0.128 37.589 38.000 -0.472 0.000 1.051 445 I HN 0.040 nan 8.210 nan 0.000 0.409 446 R N 0.128 120.399 120.500 -0.382 0.000 2.075 446 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 446 R C 2.455 178.545 176.300 -0.350 0.000 1.126 446 R CA 1.141 57.019 56.100 -0.370 0.000 0.963 446 R CB -0.334 29.742 30.300 -0.373 0.000 0.858 446 R HN 0.276 nan 8.270 nan 0.000 0.435 447 R N 0.834 121.064 120.500 -0.450 0.000 2.103 447 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 447 R C 1.704 177.857 176.300 -0.244 0.000 1.142 447 R CA 1.448 57.309 56.100 -0.398 0.000 0.960 447 R CB -0.049 29.901 30.300 -0.583 0.000 0.858 447 R HN 0.208 nan 8.270 nan 0.000 0.439 448 L N 0.237 121.337 121.223 -0.205 0.000 2.590 448 L HA 0.138 4.478 4.340 -0.000 0.000 0.227 448 L C 2.102 178.927 176.870 -0.075 0.000 1.099 448 L CA 0.003 54.764 54.840 -0.130 0.000 0.872 448 L CB -0.032 41.842 42.059 -0.309 0.000 1.088 448 L HN 0.203 nan 8.230 nan 0.000 0.479 449 R N -0.298 120.125 120.500 -0.130 0.000 2.316 449 R HA -0.022 4.318 4.340 -0.000 0.000 0.202 449 R C 0.816 177.023 176.300 -0.155 0.000 1.029 449 R CA 0.822 56.861 56.100 -0.102 0.000 1.018 449 R CB -0.425 29.758 30.300 -0.195 0.000 0.888 449 R HN 0.369 nan 8.270 nan 0.000 0.471 450 N N 0.595 119.088 118.700 -0.345 0.000 2.336 450 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 450 N C -0.468 174.783 175.510 -0.432 0.000 1.113 450 N CA 0.118 52.892 53.050 -0.459 0.000 0.858 450 N CB 0.182 38.147 38.487 -0.871 0.000 0.970 450 N HN 0.312 nan 8.380 nan 0.000 0.471 451 H N 0.671 119.606 119.070 -0.225 0.000 2.742 451 H HA 0.185 4.741 4.556 0.000 0.000 0.302 451 H C 1.051 176.219 175.328 -0.267 0.000 1.069 451 H CA -0.224 55.711 56.048 -0.188 0.000 1.446 451 H CB 1.557 31.262 29.762 -0.095 0.000 1.462 451 H HN 0.080 nan 8.280 nan 0.000 0.499 452 A N 3.481 126.132 122.820 -0.282 0.000 1.948 452 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 452 A C 2.378 179.499 177.584 -0.772 0.000 1.177 452 A CA 2.100 53.721 52.037 -0.695 0.000 0.636 452 A CB -0.524 17.746 19.000 -1.217 0.000 0.815 452 A HN 0.741 nan 8.150 nan 0.000 0.449 453 S N -0.977 114.489 115.700 -0.389 0.000 2.423 453 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 453 S C 0.720 175.278 174.600 -0.070 0.000 1.014 453 S CA 0.526 58.633 58.200 -0.155 0.000 0.965 453 S CB -0.683 62.547 63.200 0.051 0.000 0.785 453 S HN 0.399 nan 8.310 nan 0.000 0.495 454 L N 1.895 123.088 121.223 -0.049 0.000 2.500 454 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 454 L C 0.860 177.680 176.870 -0.083 0.000 1.149 454 L CA 0.220 55.021 54.840 -0.066 0.000 0.897 454 L CB 0.504 42.484 42.059 -0.131 0.000 1.178 454 L HN 0.207 nan 8.230 nan 0.000 0.473 455 A N 6.533 129.328 122.820 -0.042 0.000 2.192 455 A HA 0.484 4.804 4.320 -0.000 0.000 0.208 455 A C 0.362 177.988 177.584 0.070 0.000 1.220 455 A CA 0.734 52.806 52.037 0.058 0.000 0.900 455 A CB 0.030 19.121 19.000 0.150 0.000 0.937 455 A HN 0.786 nan 8.150 nan 0.000 0.487 456 M N -4.240 115.317 119.600 -0.072 0.000 2.822 456 M HA 0.524 5.004 4.480 -0.000 0.000 0.275 456 M C -2.451 173.670 176.300 -0.299 0.000 1.084 456 M CA -0.681 54.574 55.300 -0.075 0.000 0.814 456 M CB 0.577 33.177 32.600 -0.001 0.000 1.693 456 M HN 0.034 nan 8.290 nan 0.000 0.531 457 W N 1.182 122.460 121.300 -0.037 0.000 2.606 457 W HA 0.774 5.434 4.660 -0.000 0.000 0.332 457 W C -0.811 175.633 176.519 -0.124 0.000 1.052 457 W CA -0.376 56.955 57.345 -0.023 0.000 1.223 457 W CB 1.935 31.513 29.460 0.197 0.000 1.383 457 W HN 0.856 nan 8.180 nan 0.000 0.524 458 C N 2.607 122.042 119.300 0.225 0.000 2.396 458 C HA 0.596 5.056 4.460 -0.000 0.000 0.321 458 C C 1.570 176.791 174.990 0.386 0.000 1.233 458 C CA 0.042 59.121 59.018 0.102 0.000 1.440 458 C CB 0.293 28.226 27.740 0.322 0.000 2.110 458 C HN 0.997 nan 8.230 nan 0.000 0.473 459 G N 4.322 113.214 108.800 0.154 0.000 2.469 459 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.219 459 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.219 459 G C 0.272 175.468 174.900 0.494 0.000 1.150 459 G CA 1.563 47.005 45.100 0.570 0.000 0.763 459 G HN 1.134 nan 8.290 nan 0.000 0.561 460 N N -2.749 116.075 118.700 0.207 0.000 3.185 460 N HA 0.185 4.925 4.740 -0.000 0.000 0.238 460 N C -1.636 173.962 175.510 0.145 0.000 1.451 460 N CA -0.885 52.242 53.050 0.127 0.000 0.888 460 N CB 0.524 38.837 38.487 -0.290 0.000 1.413 460 N HN -0.009 nan 8.380 nan 0.000 0.511 461 N N 0.149 118.934 118.700 0.141 0.000 2.439 461 N HA 0.260 5.000 4.740 -0.000 0.000 0.249 461 N C -0.873 174.760 175.510 0.205 0.000 1.003 461 N CA -0.062 53.121 53.050 0.222 0.000 0.942 461 N CB 0.258 38.863 38.487 0.197 0.000 1.115 461 N HN 0.752 nan 8.380 nan 0.000 0.505 462 E N 1.447 121.728 120.200 0.135 0.000 3.286 462 E HA -0.253 4.097 4.350 -0.000 0.000 0.292 462 E C 0.498 177.007 176.600 -0.151 0.000 0.928 462 E CA 0.557 56.966 56.400 0.016 0.000 0.982 462 E CB -1.292 28.520 29.700 0.187 0.000 1.500 462 E HN 0.677 nan 8.360 nan 0.000 0.441 463 I N -0.279 120.260 120.570 -0.052 0.000 2.333 463 I HA -0.189 3.980 4.170 -0.000 0.000 0.246 463 I C 2.366 178.371 176.117 -0.188 0.000 1.106 463 I CA 0.772 62.052 61.300 -0.034 0.000 1.411 463 I CB -0.190 37.895 38.000 0.142 0.000 1.082 463 I HN 0.121 nan 8.210 nan 0.000 0.420 464 L N 1.241 122.322 121.223 -0.238 0.000 2.083 464 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 464 L C 2.426 179.080 176.870 -0.359 0.000 1.083 464 L CA 1.831 56.402 54.840 -0.449 0.000 0.752 464 L CB -0.626 41.248 42.059 -0.308 0.000 0.899 464 L HN 0.242 nan 8.230 nan 0.000 0.433 465 E N -0.657 119.367 120.200 -0.293 0.000 2.058 465 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 465 E C 2.138 178.299 176.600 -0.731 0.000 0.997 465 E CA 1.352 57.573 56.400 -0.298 0.000 0.801 465 E CB -0.214 29.372 29.700 -0.191 0.000 0.746 465 E HN 0.591 nan 8.360 nan 0.000 0.450 466 A N 0.967 123.078 122.820 -1.181 0.000 1.865 466 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 466 A C 2.244 179.285 177.584 -0.906 0.000 1.191 466 A CA 1.616 52.757 52.037 -1.493 0.000 0.623 466 A CB -0.910 17.512 19.000 -0.964 0.000 0.826 466 A HN 0.338 nan 8.150 nan 0.000 0.444 467 L N -0.895 120.055 121.223 -0.454 0.000 2.012 467 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 467 L C 2.654 179.377 176.870 -0.246 0.000 1.073 467 L CA 2.133 56.851 54.840 -0.203 0.000 0.748 467 L CB -0.363 41.570 42.059 -0.210 0.000 0.891 467 L HN 0.369 nan 8.230 nan 0.000 0.431 468 K N -1.586 118.536 120.400 -0.464 0.000 2.116 468 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 468 K C 1.271 177.436 176.600 -0.726 0.000 1.052 468 K CA 1.178 57.063 56.287 -0.669 0.000 0.952 468 K CB 0.100 31.960 32.500 -1.066 0.000 0.729 468 K HN 0.213 nan 8.250 nan 0.000 0.446 469 Y N -2.700 117.469 120.300 -0.219 0.000 2.471 469 Y HA 0.120 4.670 4.550 -0.000 0.000 0.249 469 Y C 0.489 176.428 175.900 0.064 0.000 1.116 469 Y CA -0.749 57.302 58.100 -0.081 0.000 1.240 469 Y CB 0.492 38.938 38.460 -0.023 0.000 1.251 469 Y HN 0.069 nan 8.280 nan 0.000 0.527 470 W N 0.686 121.812 121.300 -0.291 0.000 3.325 470 W HA 0.536 5.196 4.660 -0.000 0.000 0.370 470 W C 1.204 177.554 176.519 -0.282 0.000 1.169 470 W CA -0.259 56.886 57.345 -0.333 0.000 1.874 470 W CB -0.396 28.786 29.460 -0.464 0.000 1.076 470 W HN 0.172 nan 8.180 nan 0.000 0.684 471 G N 0.469 109.258 108.800 -0.019 0.000 2.225 471 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.264 471 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.264 471 G C 0.537 175.564 174.900 0.212 0.000 1.060 471 G CA 0.143 45.276 45.100 0.055 0.000 0.833 471 G HN 0.111 nan 8.290 nan 0.000 0.498 472 F N 0.149 120.188 119.950 0.147 0.000 2.234 472 F HA 0.161 4.688 4.527 -0.000 0.000 0.296 472 F C 2.769 178.642 175.800 0.122 0.000 1.089 472 F CA 1.381 59.538 58.000 0.262 0.000 1.343 472 F CB -1.183 38.102 39.000 0.474 0.000 1.040 472 F HN 0.472 nan 8.300 nan 0.000 0.498 473 E N 0.909 121.072 120.200 -0.063 0.000 2.219 473 E HA -0.279 4.071 4.350 -0.000 0.000 0.198 473 E C 2.120 178.661 176.600 -0.098 0.000 0.998 473 E CA 1.934 58.145 56.400 -0.315 0.000 0.818 473 E CB -1.153 28.196 29.700 -0.586 0.000 0.741 473 E HN 0.361 nan 8.360 nan 0.000 0.477 474 K N -0.317 120.055 120.400 -0.046 0.000 2.418 474 K HA 0.064 4.384 4.320 -0.000 0.000 0.195 474 K C 2.052 178.598 176.600 -0.091 0.000 1.035 474 K CA 1.042 57.297 56.287 -0.053 0.000 1.003 474 K CB 0.167 32.645 32.500 -0.036 0.000 0.793 474 K HN 0.366 nan 8.250 nan 0.000 0.494 475 K N -0.613 119.705 120.400 -0.136 0.000 2.352 475 K HA 0.420 4.740 4.320 -0.000 0.000 0.194 475 K C -0.341 175.763 176.600 -0.827 0.000 1.038 475 K CA 0.238 56.246 56.287 -0.464 0.000 1.023 475 K CB -0.147 31.995 32.500 -0.597 0.000 0.840 475 K HN 0.566 nan 8.250 nan 0.000 0.519 476 F N 0.599 120.524 119.950 -0.041 0.000 2.576 476 F HA 0.348 4.875 4.527 -0.000 0.000 0.313 476 F C 0.780 176.532 175.800 -0.081 0.000 1.078 476 F CA -1.571 56.366 58.000 -0.104 0.000 0.921 476 F CB 1.181 40.073 39.000 -0.180 0.000 1.232 476 F HN -0.081 nan 8.300 nan 0.000 0.459 477 T N -0.219 114.385 114.554 0.084 0.000 2.906 477 T HA 0.031 4.380 4.350 -0.000 0.000 0.329 477 T C -1.723 173.016 174.700 0.065 0.000 1.091 477 T CA -0.929 61.196 62.100 0.041 0.000 1.127 477 T CB 0.601 69.480 68.868 0.019 0.000 1.035 477 T HN 0.424 nan 8.240 nan 0.000 0.547 478 P HA -0.021 nan 4.420 nan 0.000 0.222 478 P C 1.059 178.406 177.300 0.077 0.000 1.147 478 P CA 0.901 64.047 63.100 0.077 0.000 0.790 478 P CB 0.130 31.855 31.700 0.043 0.000 0.780 479 E N -0.193 120.027 120.200 0.034 0.000 2.047 479 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 479 E C 2.157 178.737 176.600 -0.034 0.000 0.987 479 E CA 0.855 57.263 56.400 0.014 0.000 0.799 479 E CB -1.260 28.448 29.700 0.012 0.000 0.752 479 E HN -0.011 nan 8.360 nan 0.000 0.449 480 V N 0.456 120.307 119.914 -0.105 0.000 2.261 480 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 480 V C 2.018 177.931 176.094 -0.302 0.000 1.047 480 V CA 1.999 64.099 62.300 -0.334 0.000 1.015 480 V CB -0.624 30.828 31.823 -0.619 0.000 0.642 480 V HN 0.307 nan 8.190 nan 0.000 0.446 481 Y N 0.878 121.041 120.300 -0.228 0.000 2.114 481 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 481 Y C 2.757 178.578 175.900 -0.132 0.000 1.165 481 Y CA 2.136 60.143 58.100 -0.155 0.000 1.148 481 Y CB -0.276 38.170 38.460 -0.023 0.000 0.972 481 Y HN 0.189 nan 8.280 nan 0.000 0.504 482 Q N -0.307 119.443 119.800 -0.083 0.000 2.170 482 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 482 Q C 2.466 178.358 176.000 -0.180 0.000 0.976 482 Q CA 1.392 57.093 55.803 -0.170 0.000 0.858 482 Q CB -0.976 27.757 28.738 -0.008 0.000 0.907 482 Q HN 0.658 nan 8.270 nan 0.000 0.433 483 G N -0.114 108.632 108.800 -0.090 0.000 2.464 483 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 483 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 483 G C 1.549 176.421 174.900 -0.046 0.000 1.138 483 G CA 0.048 45.150 45.100 0.003 0.000 0.793 483 G HN 0.244 nan 8.290 nan 0.000 0.539 484 L N 0.229 121.341 121.223 -0.184 0.000 1.994 484 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 484 L C 3.086 179.871 176.870 -0.142 0.000 1.071 484 L CA 0.891 55.633 54.840 -0.162 0.000 0.745 484 L CB -0.442 41.435 42.059 -0.303 0.000 0.892 484 L HN 0.138 nan 8.230 nan 0.000 0.431 485 M N -0.806 118.580 119.600 -0.357 0.000 2.082 485 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 485 M C 2.349 178.548 176.300 -0.168 0.000 1.069 485 M CA 1.813 56.911 55.300 -0.338 0.000 1.102 485 M CB -1.602 30.674 32.600 -0.541 0.000 1.336 485 M HN 0.303 nan 8.290 nan 0.000 0.404 486 H N -0.621 118.420 119.070 -0.047 0.000 2.363 486 H HA 0.051 4.607 4.556 -0.000 0.000 0.301 486 H C 2.248 177.585 175.328 0.015 0.000 1.074 486 H CA 1.579 57.620 56.048 -0.011 0.000 1.354 486 H CB -0.794 28.954 29.762 -0.023 0.000 1.397 486 H HN 0.430 nan 8.280 nan 0.000 0.516 487 G N 0.107 108.988 108.800 0.135 0.000 2.442 487 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 487 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 487 G C 1.733 176.680 174.900 0.079 0.000 1.141 487 G CA 0.876 46.031 45.100 0.091 0.000 0.763 487 G HN 0.448 nan 8.290 nan 0.000 0.554 488 Y N 1.802 122.139 120.300 0.062 0.000 2.097 488 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 488 Y C 2.496 178.478 175.900 0.136 0.000 1.152 488 Y CA 2.176 60.385 58.100 0.181 0.000 1.136 488 Y CB -0.092 38.438 38.460 0.117 0.000 0.975 488 Y HN 0.207 nan 8.280 nan 0.000 0.498 489 D N 0.043 120.570 120.400 0.212 0.000 2.144 489 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 489 D C 2.003 178.265 176.300 -0.063 0.000 0.984 489 D CA 1.481 55.532 54.000 0.084 0.000 0.834 489 D CB -0.214 40.646 40.800 0.101 0.000 0.955 489 D HN 0.396 nan 8.370 nan 0.000 0.465 490 K N -0.299 120.057 120.400 -0.074 0.000 2.057 490 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 490 K C 1.871 178.313 176.600 -0.262 0.000 1.049 490 K CA 0.476 56.688 56.287 -0.126 0.000 0.931 490 K CB -0.063 32.389 32.500 -0.079 0.000 0.714 490 K HN 0.070 nan 8.250 nan 0.000 0.440 491 L N -0.220 120.744 121.223 -0.431 0.000 2.071 491 L HA 0.016 4.356 4.340 -0.000 0.000 0.201 491 L C 1.693 178.039 176.870 -0.873 0.000 1.076 491 L CA 1.732 56.094 54.840 -0.797 0.000 0.755 491 L CB -0.446 40.882 42.059 -1.219 0.000 0.915 491 L HN -0.005 nan 8.230 nan 0.000 0.445 492 F N -0.433 119.245 119.950 -0.453 0.000 2.619 492 F HA 0.193 4.720 4.527 -0.000 0.000 0.293 492 F C 2.186 177.907 175.800 -0.132 0.000 1.119 492 F CA 0.436 58.220 58.000 -0.359 0.000 1.445 492 F CB -0.280 38.298 39.000 -0.703 0.000 1.119 492 F HN -0.008 nan 8.300 nan 0.000 0.573 493 R N -0.434 120.045 120.500 -0.034 0.000 2.362 493 R HA 0.171 4.511 4.340 -0.000 0.000 0.227 493 R C 0.856 177.102 176.300 -0.091 0.000 0.905 493 R CA 0.357 56.457 56.100 -0.000 0.000 1.067 493 R CB 0.293 30.597 30.300 0.006 0.000 1.078 493 R HN 0.313 nan 8.270 nan 0.000 0.516 494 E N -0.232 119.868 120.200 -0.167 0.000 3.100 494 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 494 E C 1.188 177.640 176.600 -0.246 0.000 1.097 494 E CA -0.192 56.102 56.400 -0.177 0.000 1.339 494 E CB 0.032 29.650 29.700 -0.136 0.000 1.330 494 E HN -0.067 nan 8.360 nan 0.000 0.511 495 L N 1.867 122.917 121.223 -0.289 0.000 1.976 495 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 495 L C 2.030 178.644 176.870 -0.426 0.000 1.071 495 L CA 1.726 56.373 54.840 -0.321 0.000 0.746 495 L CB -0.538 41.319 42.059 -0.337 0.000 0.890 495 L HN 0.158 nan 8.230 nan 0.000 0.432 496 L N -0.008 120.881 121.223 -0.556 0.000 1.989 496 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 496 L C -0.093 176.234 176.870 -0.906 0.000 1.071 496 L CA 1.603 55.978 54.840 -0.774 0.000 0.749 496 L CB -2.404 39.190 42.059 -0.774 0.000 0.890 496 L HN 0.275 nan 8.230 nan 0.000 0.431 497 P HA -0.171 nan 4.420 nan 0.000 0.215 497 P C 1.796 178.805 177.300 -0.486 0.000 1.153 497 P CA 2.084 64.631 63.100 -0.920 0.000 0.853 497 P CB -0.111 31.273 31.700 -0.527 0.000 0.788 498 S N -1.805 113.681 115.700 -0.357 0.000 2.428 498 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 498 S C 2.173 176.645 174.600 -0.214 0.000 1.014 498 S CA 1.710 59.765 58.200 -0.242 0.000 0.957 498 S CB -1.798 61.287 63.200 -0.191 0.000 0.784 498 S HN 0.111 nan 8.310 nan 0.000 0.499 499 T N 1.325 115.734 114.554 -0.241 0.000 2.777 499 T HA 0.012 4.362 4.350 -0.000 0.000 0.266 499 T C 1.696 176.340 174.700 -0.094 0.000 1.040 499 T CA 1.396 63.429 62.100 -0.113 0.000 1.141 499 T CB -0.554 68.199 68.868 -0.192 0.000 0.868 499 T HN 0.290 nan 8.240 nan 0.000 0.444 500 V N 1.309 121.070 119.914 -0.255 0.000 2.358 500 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 500 V C 2.570 178.586 176.094 -0.130 0.000 1.047 500 V CA 1.667 63.831 62.300 -0.225 0.000 1.035 500 V CB -0.452 31.231 31.823 -0.233 0.000 0.658 500 V HN 0.472 nan 8.190 nan 0.000 0.452 501 K N -0.222 120.083 120.400 -0.159 0.000 2.097 501 K HA -0.232 4.087 4.320 -0.000 0.000 0.206 501 K C 2.236 178.742 176.600 -0.157 0.000 1.049 501 K CA 1.764 57.973 56.287 -0.130 0.000 0.933 501 K CB -0.117 32.300 32.500 -0.139 0.000 0.717 501 K HN 0.547 nan 8.250 nan 0.000 0.442 502 E N -0.452 119.618 120.200 -0.216 0.000 2.107 502 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 502 E C 0.972 177.240 176.600 -0.554 0.000 0.982 502 E CA 0.939 57.087 56.400 -0.419 0.000 0.809 502 E CB 0.203 29.562 29.700 -0.568 0.000 0.756 502 E HN 0.206 nan 8.360 nan 0.000 0.459 503 F N -0.627 119.220 119.950 -0.171 0.000 2.706 503 F HA 0.254 4.781 4.527 -0.000 0.000 0.308 503 F C 0.265 175.924 175.800 -0.236 0.000 1.095 503 F CA -0.202 57.668 58.000 -0.218 0.000 1.244 503 F CB 1.174 40.020 39.000 -0.257 0.000 1.063 503 F HN -0.150 nan 8.300 nan 0.000 0.582 504 D N -0.982 119.415 120.400 -0.004 0.000 3.285 504 D HA 0.147 4.787 4.640 -0.000 0.000 0.273 504 D C 0.539 176.880 176.300 0.068 0.000 1.295 504 D CA 0.214 54.240 54.000 0.045 0.000 0.762 504 D CB 0.262 41.125 40.800 0.105 0.000 1.379 504 D HN -0.131 nan 8.370 nan 0.000 0.612 505 S N -0.498 115.230 115.700 0.046 0.000 2.481 505 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 505 S C 1.112 175.739 174.600 0.045 0.000 0.996 505 S CA 0.429 58.642 58.200 0.021 0.000 0.942 505 S CB 0.366 63.560 63.200 -0.009 0.000 0.768 505 S HN 0.337 nan 8.310 nan 0.000 0.520 506 D N 0.974 121.417 120.400 0.071 0.000 2.339 506 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 506 D C 0.488 176.840 176.300 0.086 0.000 1.050 506 D CA 0.212 54.248 54.000 0.061 0.000 0.856 506 D CB 0.319 41.144 40.800 0.043 0.000 0.922 506 D HN 0.331 nan 8.370 nan 0.000 0.518 507 R N 0.199 120.780 120.500 0.134 0.000 2.604 507 R HA 0.323 4.663 4.340 -0.000 0.000 0.287 507 R C -0.365 176.072 176.300 0.229 0.000 0.970 507 R CA -0.877 55.335 56.100 0.186 0.000 0.946 507 R CB 1.578 32.039 30.300 0.268 0.000 1.127 507 R HN -0.116 nan 8.270 nan 0.000 0.473 508 F N 2.668 122.634 119.950 0.027 0.000 2.471 508 F HA 0.119 4.646 4.527 -0.000 0.000 0.353 508 F C -0.699 175.177 175.800 0.128 0.000 1.113 508 F CA -0.003 57.984 58.000 -0.022 0.000 1.262 508 F CB 0.345 39.209 39.000 -0.227 0.000 1.146 508 F HN 0.396 nan 8.300 nan 0.000 0.578 509 Y N 6.187 126.086 120.300 -0.667 0.000 2.409 509 Y HA 0.621 5.171 4.550 -0.000 0.000 0.343 509 Y C -1.783 173.541 175.900 -0.960 0.000 0.973 509 Y CA -1.033 56.769 58.100 -0.496 0.000 1.064 509 Y CB 1.552 39.928 38.460 -0.139 0.000 1.207 509 Y HN 0.563 nan 8.280 nan 0.000 0.452 510 V N 6.485 125.673 119.914 -1.211 0.000 2.735 510 V HA 0.255 4.375 4.120 -0.000 0.000 0.310 510 V C 0.237 175.753 176.094 -0.962 0.000 1.061 510 V CA -0.404 61.378 62.300 -0.864 0.000 0.913 510 V CB 1.486 33.085 31.823 -0.373 0.000 1.005 510 V HN 1.060 nan 8.190 nan 0.000 0.428 511 H N 3.138 121.981 119.070 -0.379 0.000 2.491 511 H HA 0.310 4.865 4.556 -0.000 0.000 0.290 511 H C 0.708 176.039 175.328 0.004 0.000 1.050 511 H CA 1.119 57.134 56.048 -0.055 0.000 1.309 511 H CB 0.138 30.043 29.762 0.238 0.000 1.392 511 H HN 0.562 nan 8.280 nan 0.000 0.554 512 S N -1.161 114.338 115.700 -0.335 0.000 2.565 512 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 512 S C -1.667 172.934 174.600 0.001 0.000 1.144 512 S CA -0.439 57.698 58.200 -0.104 0.000 0.849 512 S CB 1.439 64.631 63.200 -0.014 0.000 1.103 512 S HN 0.406 nan 8.310 nan 0.000 0.455 513 S N 3.242 119.024 115.700 0.137 0.000 2.605 513 S HA 0.754 5.223 4.470 -0.000 0.000 0.308 513 S C -2.950 171.561 174.600 -0.148 0.000 1.113 513 S CA -1.545 56.772 58.200 0.194 0.000 1.049 513 S CB 1.367 64.924 63.200 0.595 0.000 1.001 513 S HN 0.504 nan 8.310 nan 0.000 0.480 514 P HA 0.191 nan 4.420 nan 0.000 0.279 514 P C 0.072 177.310 177.300 -0.103 0.000 1.239 514 P CA -0.438 62.523 63.100 -0.233 0.000 0.789 514 P CB 0.295 31.840 31.700 -0.259 0.000 0.933 515 Y N 2.442 122.683 120.300 -0.098 0.000 2.395 515 Y HA 0.145 4.695 4.550 -0.000 0.000 0.293 515 Y C 1.161 177.077 175.900 0.026 0.000 1.123 515 Y CA 0.948 58.968 58.100 -0.134 0.000 1.227 515 Y CB -0.530 37.811 38.460 -0.198 0.000 1.012 515 Y HN 0.202 nan 8.280 nan 0.000 0.552 516 L N -0.111 120.991 121.223 -0.202 0.000 2.885 516 L HA 0.615 4.955 4.340 -0.000 0.000 0.263 516 L C 0.888 177.760 176.870 0.005 0.000 1.033 516 L CA 0.452 55.289 54.840 -0.005 0.000 1.051 516 L CB -0.507 41.589 42.059 0.062 0.000 1.860 516 L HN 0.099 nan 8.230 nan 0.000 0.544 517 A N 1.447 124.217 122.820 -0.083 0.000 2.462 517 A HA 0.362 4.682 4.320 -0.000 0.000 0.243 517 A C -0.078 177.573 177.584 0.112 0.000 1.076 517 A CA 0.116 52.193 52.037 0.067 0.000 0.773 517 A CB -0.290 18.767 19.000 0.095 0.000 1.010 517 A HN 0.457 nan 8.150 nan 0.000 0.493 518 N N 2.646 121.429 118.700 0.139 0.000 2.296 518 N HA 0.135 4.874 4.740 -0.000 0.000 0.294 518 N C 0.833 176.484 175.510 0.235 0.000 1.033 518 N CA -0.678 52.390 53.050 0.029 0.000 0.839 518 N CB 0.973 39.181 38.487 -0.465 0.000 1.395 518 N HN 0.882 nan 8.380 nan 0.000 0.479 519 W N 3.342 124.803 121.300 0.270 0.000 2.424 519 W HA 0.064 4.724 4.660 -0.000 0.000 0.264 519 W C 0.480 177.291 176.519 0.486 0.000 1.229 519 W CA 0.863 58.427 57.345 0.366 0.000 1.208 519 W CB -0.524 29.101 29.460 0.276 0.000 1.127 519 W HN 0.561 nan 8.180 nan 0.000 0.588 520 G N 1.260 109.869 108.800 -0.319 0.000 3.088 520 G HA2 0.015 3.975 3.960 -0.000 0.000 0.217 520 G HA3 0.015 3.975 3.960 -0.000 0.000 0.217 520 G C 0.667 175.432 174.900 -0.225 0.000 1.159 520 G CA -0.352 44.470 45.100 -0.464 0.000 0.760 520 G HN -0.093 nan 8.290 nan 0.000 0.550 521 R N 0.514 120.914 120.500 -0.166 0.000 2.505 521 R HA 0.285 4.625 4.340 -0.000 0.000 0.284 521 R C -2.205 173.720 176.300 -0.626 0.000 1.324 521 R CA -2.469 53.456 56.100 -0.292 0.000 1.432 521 R CB 1.191 31.349 30.300 -0.236 0.000 1.107 521 R HN 0.009 nan 8.270 nan 0.000 0.587 522 P HA -0.212 nan 4.420 nan 0.000 0.218 522 P C 1.153 177.784 177.300 -1.114 0.000 1.146 522 P CA 1.160 63.110 63.100 -1.918 0.000 0.813 522 P CB 0.399 31.378 31.700 -1.202 0.000 0.778 523 E N -0.011 119.860 120.200 -0.549 0.000 2.418 523 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 523 E C 1.305 177.809 176.600 -0.160 0.000 1.026 523 E CA 1.315 57.553 56.400 -0.270 0.000 0.862 523 E CB -0.803 28.803 29.700 -0.158 0.000 0.799 523 E HN 0.325 nan 8.360 nan 0.000 0.518 524 S N -0.945 114.637 115.700 -0.195 0.000 2.548 524 S HA 0.044 4.514 4.470 -0.000 0.000 0.215 524 S C 1.200 175.901 174.600 0.169 0.000 0.976 524 S CA -0.507 57.695 58.200 0.003 0.000 0.908 524 S CB -0.590 62.628 63.200 0.031 0.000 0.781 524 S HN 0.220 nan 8.310 nan 0.000 0.519 525 W N 2.393 123.735 121.300 0.069 0.000 2.465 525 W HA 0.333 4.993 4.660 -0.000 0.000 0.268 525 W C 2.200 178.791 176.519 0.120 0.000 1.242 525 W CA 0.130 57.533 57.345 0.097 0.000 1.248 525 W CB -1.333 28.208 29.460 0.134 0.000 1.118 525 W HN 0.516 nan 8.180 nan 0.000 0.587 526 G N -0.475 108.529 108.800 0.340 0.000 2.776 526 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.209 526 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.209 526 G C 0.086 175.062 174.900 0.127 0.000 1.145 526 G CA 0.438 45.685 45.100 0.245 0.000 0.791 526 G HN 0.048 nan 8.290 nan 0.000 0.530 527 T N 0.833 115.452 114.554 0.109 0.000 2.977 527 T HA 0.576 4.926 4.350 -0.000 0.000 0.346 527 T C 0.763 175.394 174.700 -0.114 0.000 1.140 527 T CA 0.194 62.330 62.100 0.060 0.000 1.040 527 T CB 1.156 70.071 68.868 0.079 0.000 1.046 527 T HN 0.835 nan 8.240 nan 0.000 0.494 528 G N 4.044 112.836 108.800 -0.015 0.000 2.562 528 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.250 528 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.250 528 G C -0.620 174.147 174.900 -0.221 0.000 1.269 528 G CA -0.129 44.887 45.100 -0.140 0.000 0.919 528 G HN 0.862 nan 8.290 nan 0.000 0.574 529 D N 0.158 120.256 120.400 -0.504 0.000 2.264 529 D HA 0.564 5.204 4.640 -0.000 0.000 0.249 529 D C -0.130 176.119 176.300 -0.086 0.000 1.070 529 D CA 0.133 53.968 54.000 -0.275 0.000 0.912 529 D CB 1.478 42.006 40.800 -0.452 0.000 1.193 529 D HN 0.455 nan 8.370 nan 0.000 0.427 530 S N 0.406 116.146 115.700 0.067 0.000 2.472 530 S HA 0.244 4.714 4.470 -0.000 0.000 0.303 530 S C -0.520 174.261 174.600 0.302 0.000 1.099 530 S CA -0.726 57.544 58.200 0.116 0.000 1.077 530 S CB 0.896 64.101 63.200 0.008 0.000 1.031 530 S HN 0.398 nan 8.310 nan 0.000 0.487 531 H N 2.612 121.783 119.070 0.169 0.000 2.818 531 H HA 0.196 4.751 4.556 -0.000 0.000 0.269 531 H C -0.196 175.247 175.328 0.193 0.000 1.277 531 H CA -0.596 55.596 56.048 0.240 0.000 1.290 531 H CB 0.304 30.377 29.762 0.518 0.000 1.479 531 H HN 0.333 nan 8.280 nan 0.000 0.507 532 N N 3.251 121.954 118.700 0.005 0.000 2.555 532 N HA -0.045 4.695 4.740 -0.000 0.000 0.244 532 N C -0.398 174.961 175.510 -0.253 0.000 1.114 532 N CA -0.320 52.700 53.050 -0.051 0.000 0.963 532 N CB 0.031 38.416 38.487 -0.170 0.000 1.276 532 N HN 0.573 nan 8.380 nan 0.000 0.510 533 W N 1.799 123.035 121.300 -0.106 0.000 3.223 533 W HA 0.370 5.030 4.660 -0.000 0.000 0.389 533 W C 1.877 177.842 176.519 -0.924 0.000 1.118 533 W CA -0.622 56.515 57.345 -0.345 0.000 1.902 533 W CB 0.383 29.777 29.460 -0.109 0.000 1.094 533 W HN 0.585 nan 8.180 nan 0.000 0.666 534 G N 0.715 109.142 108.800 -0.623 0.000 2.491 534 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 534 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 534 G C 0.687 175.514 174.900 -0.122 0.000 1.180 534 G CA 0.631 45.493 45.100 -0.396 0.000 0.774 534 G HN -0.036 nan 8.290 nan 0.000 0.562 535 V N 0.950 120.872 119.914 0.013 0.000 2.655 535 V HA 0.225 4.345 4.120 -0.000 0.000 0.300 535 V C 0.835 177.094 176.094 0.276 0.000 1.044 535 V CA 0.369 62.761 62.300 0.153 0.000 1.095 535 V CB 0.335 32.263 31.823 0.175 0.000 0.952 535 V HN 0.641 nan 8.190 nan 0.000 0.485 536 W N 3.601 124.956 121.300 0.091 0.000 1.372 536 W HA -0.379 4.281 4.660 0.000 0.000 0.248 536 W C 1.299 177.824 176.519 0.010 0.000 1.519 536 W CA 1.490 58.830 57.345 -0.007 0.000 1.884 536 W CB -1.403 28.097 29.460 0.066 0.000 1.294 536 W HN 0.547 nan 8.180 nan 0.000 0.437 537 Y N 1.295 121.643 120.300 0.080 0.000 2.128 537 Y HA 0.004 4.554 4.550 -0.000 0.000 0.284 537 Y C 2.688 178.489 175.900 -0.164 0.000 1.154 537 Y CA 2.763 60.787 58.100 -0.125 0.000 1.149 537 Y CB -1.468 36.971 38.460 -0.034 0.000 0.976 537 Y HN 0.290 nan 8.280 nan 0.000 0.505 538 G N -0.923 107.763 108.800 -0.190 0.000 3.026 538 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 538 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 538 G C 0.764 175.699 174.900 0.059 0.000 1.169 538 G CA 0.216 45.278 45.100 -0.063 0.000 0.788 538 G HN 0.361 nan 8.290 nan 0.000 0.533 539 K N -0.873 119.559 120.400 0.053 0.000 3.274 539 K HA -0.201 4.119 4.320 -0.000 0.000 0.305 539 K C 0.322 176.894 176.600 -0.046 0.000 1.225 539 K CA 0.934 57.246 56.287 0.042 0.000 0.904 539 K CB -0.874 31.595 32.500 -0.052 0.000 1.227 539 K HN 0.444 nan 8.250 nan 0.000 0.453 540 K N 1.341 121.774 120.400 0.056 0.000 2.355 540 K HA 0.120 4.440 4.320 -0.000 0.000 0.270 540 K C -2.202 174.376 176.600 -0.036 0.000 1.003 540 K CA -1.395 54.903 56.287 0.020 0.000 0.957 540 K CB 0.145 32.699 32.500 0.090 0.000 0.939 540 K HN -0.093 nan 8.250 nan 0.000 0.482 541 P HA -0.020 nan 4.420 nan 0.000 0.272 541 P C 0.184 177.491 177.300 0.010 0.000 1.230 541 P CA -0.118 62.913 63.100 -0.115 0.000 0.788 541 P CB 0.320 31.977 31.700 -0.071 0.000 0.949 542 F N 0.386 120.406 119.950 0.117 0.000 2.202 542 F HA -0.163 4.364 4.527 -0.000 0.000 0.301 542 F C 2.129 177.981 175.800 0.086 0.000 1.082 542 F CA 1.671 59.718 58.000 0.079 0.000 1.313 542 F CB -1.128 37.853 39.000 -0.032 0.000 1.024 542 F HN 0.324 nan 8.300 nan 0.000 0.495 543 E N -0.139 120.171 120.200 0.183 0.000 2.265 543 E HA -0.164 4.185 4.350 -0.000 0.000 0.196 543 E C 2.314 179.010 176.600 0.160 0.000 0.996 543 E CA 1.218 57.713 56.400 0.158 0.000 0.832 543 E CB -0.555 29.185 29.700 0.067 0.000 0.756 543 E HN 0.389 nan 8.360 nan 0.000 0.491 544 S N 0.336 116.113 115.700 0.128 0.000 2.419 544 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 544 S C 1.894 176.545 174.600 0.085 0.000 1.019 544 S CA 0.781 59.044 58.200 0.106 0.000 0.982 544 S CB -0.478 62.782 63.200 0.099 0.000 0.789 544 S HN 0.248 nan 8.310 nan 0.000 0.490 545 L N 1.486 122.775 121.223 0.109 0.000 2.265 545 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 545 L C 2.132 178.995 176.870 -0.012 0.000 1.117 545 L CA 1.205 56.066 54.840 0.036 0.000 0.782 545 L CB -0.678 41.399 42.059 0.031 0.000 0.914 545 L HN 0.276 nan 8.230 nan 0.000 0.441 546 D N -0.500 119.918 120.400 0.031 0.000 2.178 546 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 546 D C 2.111 178.415 176.300 0.008 0.000 0.974 546 D CA 2.011 56.006 54.000 -0.008 0.000 0.841 546 D CB 0.076 40.904 40.800 0.047 0.000 0.953 546 D HN 0.462 nan 8.370 nan 0.000 0.478 547 T N -2.416 112.164 114.554 0.044 0.000 2.990 547 T HA 0.030 4.380 4.350 -0.000 0.000 0.249 547 T C 0.445 175.201 174.700 0.094 0.000 1.039 547 T CA -0.260 61.878 62.100 0.065 0.000 1.036 547 T CB 0.301 69.227 68.868 0.097 0.000 0.994 547 T HN -0.240 nan 8.240 nan 0.000 0.489 548 D N 2.250 122.675 120.400 0.042 0.000 2.524 548 D HA 0.451 5.091 4.640 -0.000 0.000 0.222 548 D C -0.592 175.608 176.300 -0.166 0.000 1.142 548 D CA -0.192 53.760 54.000 -0.080 0.000 0.973 548 D CB 0.364 40.949 40.800 -0.358 0.000 1.025 548 D HN 0.406 nan 8.370 nan 0.000 0.519 549 L N 2.887 124.125 121.223 0.025 0.000 2.334 549 L HA 0.464 4.804 4.340 -0.000 0.000 0.277 549 L C -1.964 175.017 176.870 0.186 0.000 1.075 549 L CA -1.453 53.435 54.840 0.080 0.000 0.804 549 L CB 1.286 43.394 42.059 0.083 0.000 1.174 549 L HN 0.085 nan 8.230 nan 0.000 0.438 550 P HA 0.385 nan 4.420 nan 0.000 0.287 550 P C -0.493 176.893 177.300 0.142 0.000 1.292 550 P CA -0.800 62.356 63.100 0.093 0.000 0.879 550 P CB 1.585 33.215 31.700 -0.116 0.000 1.214 551 R N -0.030 120.506 120.500 0.060 0.000 2.189 551 R HA 0.193 4.533 4.340 -0.000 0.000 0.218 551 R C 0.200 176.611 176.300 0.186 0.000 1.074 551 R CA 0.746 56.844 56.100 -0.003 0.000 0.991 551 R CB -0.861 29.448 30.300 0.014 0.000 0.883 551 R HN 0.583 nan 8.270 nan 0.000 0.457 552 F N -0.336 119.608 119.950 -0.010 0.000 2.651 552 F HA 0.259 4.786 4.527 -0.000 0.000 0.327 552 F C -1.403 174.344 175.800 -0.088 0.000 1.133 552 F CA -1.166 56.835 58.000 0.003 0.000 1.076 552 F CB 1.190 40.327 39.000 0.228 0.000 1.315 552 F HN -0.237 nan 8.300 nan 0.000 0.499 553 M N 5.259 124.613 119.600 -0.410 0.000 2.069 553 M HA 0.284 4.764 4.480 -0.000 0.000 0.349 553 M C 0.291 176.574 176.300 -0.028 0.000 1.194 553 M CA 0.279 55.413 55.300 -0.277 0.000 1.081 553 M CB 0.892 33.096 32.600 -0.660 0.000 1.500 553 M HN 0.532 nan 8.290 nan 0.000 0.438 554 S N 2.431 118.258 115.700 0.213 0.000 2.517 554 S HA 0.334 4.804 4.470 -0.000 0.000 0.214 554 S C 0.084 174.651 174.600 -0.055 0.000 0.991 554 S CA -0.192 58.105 58.200 0.161 0.000 0.906 554 S CB -0.037 63.262 63.200 0.165 0.000 0.789 554 S HN 0.743 nan 8.310 nan 0.000 0.513 555 E N 0.070 120.237 120.200 -0.054 0.000 2.352 555 E HA 0.632 4.982 4.350 -0.000 0.000 0.280 555 E C -1.586 174.985 176.600 -0.048 0.000 0.930 555 E CA -0.894 55.474 56.400 -0.052 0.000 0.765 555 E CB 2.519 32.117 29.700 -0.169 0.000 1.219 555 E HN 0.448 nan 8.360 nan 0.000 0.434 556 F N -0.838 118.869 119.950 -0.405 0.000 2.725 556 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 556 F C -0.863 174.625 175.800 -0.521 0.000 1.132 556 F CA -0.633 56.911 58.000 -0.760 0.000 0.957 556 F CB 1.453 40.235 39.000 -0.362 0.000 1.286 556 F HN 0.570 nan 8.300 nan 0.000 0.440 557 G N 1.190 109.442 108.800 -0.914 0.000 2.601 557 G HA2 0.600 4.559 3.960 -0.000 0.000 0.291 557 G HA3 0.600 4.559 3.960 -0.000 0.000 0.291 557 G C -2.831 172.133 174.900 0.106 0.000 1.456 557 G CA -0.898 43.989 45.100 -0.356 0.000 0.804 557 G HN 1.063 nan 8.290 nan 0.000 0.499 558 F N 0.091 120.047 119.950 0.009 0.000 2.615 558 F HA 0.546 5.073 4.527 -0.000 0.000 0.312 558 F C -0.173 175.326 175.800 -0.501 0.000 1.119 558 F CA -0.675 57.227 58.000 -0.164 0.000 0.979 558 F CB 2.156 41.164 39.000 0.014 0.000 1.266 558 F HN 0.523 nan 8.300 nan 0.000 0.444 559 Q N 2.612 121.401 119.800 -1.685 0.000 2.306 559 Q HA 0.620 4.960 4.340 -0.000 0.000 0.241 559 Q C -0.916 174.719 176.000 -0.610 0.000 0.948 559 Q CA -0.278 54.665 55.803 -1.432 0.000 0.886 559 Q CB 1.671 29.321 28.738 -1.814 0.000 1.227 559 Q HN 0.744 nan 8.270 nan 0.000 0.457 560 S N 0.412 115.853 115.700 -0.431 0.000 2.579 560 S HA 0.526 4.996 4.470 -0.000 0.000 0.272 560 S C -0.950 173.569 174.600 -0.134 0.000 1.141 560 S CA -0.885 57.199 58.200 -0.193 0.000 0.843 560 S CB 0.564 63.650 63.200 -0.189 0.000 1.122 560 S HN 0.354 nan 8.310 nan 0.000 0.468 561 F N 3.035 122.865 119.950 -0.201 0.000 2.518 561 F HA 0.389 4.916 4.527 -0.000 0.000 0.359 561 F C -1.484 174.234 175.800 -0.136 0.000 1.118 561 F CA -1.294 56.638 58.000 -0.113 0.000 1.287 561 F CB 0.210 39.172 39.000 -0.063 0.000 1.132 561 F HN 0.396 nan 8.300 nan 0.000 0.587 562 P HA 0.071 nan 4.420 nan 0.000 0.274 562 P C -0.753 176.585 177.300 0.063 0.000 1.256 562 P CA -0.529 62.592 63.100 0.034 0.000 0.795 562 P CB 0.591 32.335 31.700 0.075 0.000 1.038 563 E N 0.639 120.874 120.200 0.059 0.000 2.409 563 E HA 0.018 4.367 4.350 -0.000 0.000 0.257 563 E C 1.081 177.732 176.600 0.086 0.000 1.150 563 E CA -0.571 55.884 56.400 0.091 0.000 0.942 563 E CB 0.117 29.928 29.700 0.185 0.000 0.979 563 E HN 0.160 nan 8.360 nan 0.000 0.447 564 M N 1.446 121.089 119.600 0.071 0.000 2.149 564 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 564 M C 2.029 178.318 176.300 -0.018 0.000 1.064 564 M CA 2.122 57.412 55.300 -0.018 0.000 1.102 564 M CB -1.304 31.287 32.600 -0.015 0.000 1.369 564 M HN 0.711 nan 8.290 nan 0.000 0.408 565 K N -1.270 119.152 120.400 0.037 0.000 2.211 565 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 565 K C 1.642 178.234 176.600 -0.012 0.000 1.047 565 K CA 1.728 58.023 56.287 0.013 0.000 0.935 565 K CB -0.636 31.876 32.500 0.020 0.000 0.728 565 K HN 0.164 nan 8.250 nan 0.000 0.452 566 T N 1.632 116.216 114.554 0.050 0.000 2.937 566 T HA 0.127 4.477 4.350 -0.000 0.000 0.260 566 T C 1.864 176.582 174.700 0.030 0.000 1.051 566 T CA 0.742 62.931 62.100 0.148 0.000 1.141 566 T CB -0.096 68.939 68.868 0.278 0.000 0.879 566 T HN 0.168 nan 8.240 nan 0.000 0.459 567 I N 1.703 122.188 120.570 -0.141 0.000 2.208 567 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 567 I C 2.909 178.664 176.117 -0.604 0.000 1.097 567 I CA 1.187 62.118 61.300 -0.615 0.000 1.363 567 I CB -0.574 37.203 38.000 -0.372 0.000 1.051 567 I HN 0.180 nan 8.210 nan 0.000 0.413 568 A N 0.815 123.515 122.820 -0.201 0.000 2.070 568 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 568 A C 2.468 180.073 177.584 0.036 0.000 1.159 568 A CA 1.654 53.701 52.037 0.017 0.000 0.656 568 A CB -0.559 18.500 19.000 0.098 0.000 0.800 568 A HN 0.464 nan 8.150 nan 0.000 0.453 569 A N -0.824 122.007 122.820 0.019 0.000 2.067 569 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 569 A C 1.677 179.476 177.584 0.358 0.000 1.156 569 A CA 1.264 53.429 52.037 0.213 0.000 0.683 569 A CB -0.542 18.617 19.000 0.264 0.000 0.808 569 A HN 1.069 nan 8.150 nan 0.000 0.455 570 F N -3.283 116.693 119.950 0.044 0.000 2.746 570 F HA 0.741 5.268 4.527 -0.000 0.000 0.313 570 F C 0.413 175.850 175.800 -0.606 0.000 1.095 570 F CA -0.200 57.633 58.000 -0.279 0.000 1.224 570 F CB 0.158 38.806 39.000 -0.586 0.000 1.060 570 F HN 0.147 nan 8.300 nan 0.000 0.584 571 A N 1.470 123.974 122.820 -0.527 0.000 2.393 571 A HA 0.828 5.148 4.320 -0.000 0.000 0.306 571 A C -0.325 177.243 177.584 -0.026 0.000 1.050 571 A CA -0.465 51.394 52.037 -0.297 0.000 0.724 571 A CB 0.693 19.532 19.000 -0.269 0.000 1.248 571 A HN 0.515 nan 8.150 nan 0.000 0.424 572 A N 3.043 125.841 122.820 -0.037 0.000 2.386 572 A HA 0.611 4.931 4.320 -0.000 0.000 0.248 572 A C -1.624 175.699 177.584 -0.435 0.000 1.082 572 A CA -1.216 50.772 52.037 -0.082 0.000 0.789 572 A CB -0.190 18.810 19.000 -0.001 0.000 1.025 572 A HN 0.533 nan 8.150 nan 0.000 0.490 573 P HA -0.129 nan 4.420 nan 0.000 0.219 573 P C 0.644 177.528 177.300 -0.692 0.000 1.146 573 P CA 1.332 63.654 63.100 -1.298 0.000 0.808 573 P CB 0.098 31.356 31.700 -0.736 0.000 0.779 574 E N -0.479 119.513 120.200 -0.347 0.000 2.333 574 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 574 E C 0.880 177.382 176.600 -0.164 0.000 1.010 574 E CA 1.104 57.390 56.400 -0.191 0.000 0.841 574 E CB -0.713 28.923 29.700 -0.108 0.000 0.757 574 E HN 0.361 nan 8.360 nan 0.000 0.508 575 D N -1.017 119.266 120.400 -0.196 0.000 2.431 575 D HA -0.007 4.633 4.640 -0.000 0.000 0.213 575 D C -0.315 175.932 176.300 -0.090 0.000 1.130 575 D CA -0.102 53.839 54.000 -0.098 0.000 0.834 575 D CB 0.170 40.939 40.800 -0.052 0.000 0.985 575 D HN 0.165 nan 8.370 nan 0.000 0.504 576 Y N 2.030 122.104 120.300 -0.377 0.000 2.937 576 Y HA 0.235 4.785 4.550 -0.000 0.000 0.364 576 Y C 0.286 175.629 175.900 -0.929 0.000 1.164 576 Y CA -0.143 57.495 58.100 -0.770 0.000 2.025 576 Y CB -1.120 37.093 38.460 -0.411 0.000 2.155 576 Y HN -0.090 nan 8.280 nan 0.000 0.409 577 Q N -0.872 118.570 119.800 -0.597 0.000 2.423 577 Q HA 0.413 4.753 4.340 -0.000 0.000 0.278 577 Q C 0.980 176.847 176.000 -0.221 0.000 1.097 577 Q CA -0.704 54.883 55.803 -0.361 0.000 0.809 577 Q CB 1.813 30.476 28.738 -0.124 0.000 1.391 577 Q HN 0.299 nan 8.270 nan 0.000 0.428 578 I N 0.709 121.307 120.570 0.046 0.000 2.315 578 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 578 I C 0.743 176.979 176.117 0.199 0.000 1.125 578 I CA 1.383 62.806 61.300 0.206 0.000 1.392 578 I CB 0.194 38.154 38.000 -0.068 0.000 1.065 578 I HN 0.595 nan 8.210 nan 0.000 0.424 579 E N 0.504 120.749 120.200 0.076 0.000 2.685 579 E HA 0.142 4.492 4.350 -0.000 0.000 0.208 579 E C 0.441 177.068 176.600 0.045 0.000 0.996 579 E CA -0.008 56.435 56.400 0.073 0.000 1.054 579 E CB 0.222 29.949 29.700 0.045 0.000 1.075 579 E HN 0.380 nan 8.360 nan 0.000 0.460 580 S N 0.138 115.854 115.700 0.026 0.000 2.572 580 S HA 0.011 4.481 4.470 -0.000 0.000 0.267 580 S C 1.266 175.900 174.600 0.056 0.000 1.361 580 S CA -0.243 57.969 58.200 0.020 0.000 1.009 580 S CB 1.758 64.951 63.200 -0.011 0.000 0.888 580 S HN 0.208 nan 8.310 nan 0.000 0.553 581 E N 0.110 120.341 120.200 0.052 0.000 2.058 581 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 581 E C 1.884 178.546 176.600 0.103 0.000 0.997 581 E CA 1.553 57.993 56.400 0.067 0.000 0.801 581 E CB -0.266 29.469 29.700 0.058 0.000 0.746 581 E HN 0.579 nan 8.360 nan 0.000 0.450 582 V N 0.776 120.760 119.914 0.117 0.000 2.343 582 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 582 V C 2.386 178.649 176.094 0.281 0.000 1.051 582 V CA 1.782 64.196 62.300 0.190 0.000 1.036 582 V CB -0.410 31.489 31.823 0.127 0.000 0.654 582 V HN 0.351 nan 8.190 nan 0.000 0.451 583 M N 0.765 120.501 119.600 0.226 0.000 2.082 583 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 583 M C 1.907 178.321 176.300 0.191 0.000 1.069 583 M CA 1.824 57.290 55.300 0.278 0.000 1.102 583 M CB -0.915 31.837 32.600 0.253 0.000 1.336 583 M HN 0.336 nan 8.290 nan 0.000 0.404 584 N N 0.212 118.997 118.700 0.142 0.000 2.120 584 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 584 N C 1.630 177.178 175.510 0.064 0.000 1.024 584 N CA 1.706 54.809 53.050 0.089 0.000 0.852 584 N CB -0.693 37.836 38.487 0.071 0.000 1.003 584 N HN 0.486 nan 8.380 nan 0.000 0.424 585 A N 0.144 123.022 122.820 0.096 0.000 2.084 585 A HA -0.157 4.163 4.320 -0.000 0.000 0.221 585 A C 0.698 178.200 177.584 -0.136 0.000 1.161 585 A CA 1.451 53.510 52.037 0.037 0.000 0.653 585 A CB -0.529 18.529 19.000 0.096 0.000 0.802 585 A HN 0.427 nan 8.150 nan 0.000 0.457 586 H N -2.254 116.698 119.070 -0.196 0.000 2.467 586 H HA 0.433 4.989 4.556 -0.000 0.000 0.275 586 H C -0.397 174.678 175.328 -0.422 0.000 1.131 586 H CA 0.095 55.823 56.048 -0.532 0.000 0.989 586 H CB 0.438 29.422 29.762 -1.295 0.000 1.696 586 H HN 0.442 nan 8.280 nan 0.000 0.574 587 Q N 1.073 120.801 119.800 -0.120 0.000 2.295 587 Q HA 0.279 4.619 4.340 -0.000 0.000 0.259 587 Q C -0.532 175.457 176.000 -0.018 0.000 0.966 587 Q CA -0.603 55.124 55.803 -0.126 0.000 0.763 587 Q CB 0.898 29.572 28.738 -0.107 0.000 1.283 587 Q HN -0.062 nan 8.270 nan 0.000 0.445 588 K N 1.646 122.068 120.400 0.037 0.000 2.374 588 K HA 0.208 4.528 4.320 -0.000 0.000 0.202 588 K C -0.110 176.562 176.600 0.121 0.000 1.040 588 K CA -0.050 56.292 56.287 0.093 0.000 1.085 588 K CB 1.147 33.762 32.500 0.191 0.000 0.873 588 K HN 0.492 nan 8.250 nan 0.000 0.539 589 S N 1.512 117.292 115.700 0.134 0.000 2.452 589 S HA 0.101 4.571 4.470 -0.000 0.000 0.284 589 S C 1.288 175.965 174.600 0.128 0.000 1.171 589 S CA -0.322 58.008 58.200 0.216 0.000 1.064 589 S CB 0.975 64.376 63.200 0.336 0.000 0.967 589 S HN 0.307 nan 8.310 nan 0.000 0.484 590 S N 5.147 120.908 115.700 0.103 0.000 2.428 590 S HA -0.094 4.375 4.470 -0.000 0.000 0.230 590 S C 1.599 176.235 174.600 0.060 0.000 1.014 590 S CA 0.975 59.210 58.200 0.057 0.000 0.957 590 S CB -0.763 62.452 63.200 0.025 0.000 0.784 590 S HN 0.926 nan 8.310 nan 0.000 0.499 591 I N -1.249 119.369 120.570 0.080 0.000 3.793 591 I HA 0.456 4.626 4.170 -0.000 0.000 0.315 591 I C 2.035 178.144 176.117 -0.013 0.000 1.275 591 I CA 0.214 61.523 61.300 0.016 0.000 1.214 591 I CB -0.743 37.243 38.000 -0.023 0.000 1.018 591 I HN 0.236 nan 8.210 nan 0.000 0.439 592 G N 2.398 111.259 108.800 0.102 0.000 2.459 592 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 592 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 592 G C 1.285 176.284 174.900 0.165 0.000 1.183 592 G CA 0.984 46.204 45.100 0.201 0.000 0.776 592 G HN 0.380 nan 8.290 nan 0.000 0.552 593 N N 0.742 119.550 118.700 0.181 0.000 2.223 593 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 593 N C 2.472 178.098 175.510 0.194 0.000 1.016 593 N CA 1.525 54.736 53.050 0.269 0.000 0.863 593 N CB -0.347 38.293 38.487 0.255 0.000 0.983 593 N HN 0.427 nan 8.380 nan 0.000 0.429 594 S N 0.464 116.222 115.700 0.097 0.000 2.395 594 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 594 S C 2.009 176.637 174.600 0.047 0.000 1.027 594 S CA 0.100 58.337 58.200 0.061 0.000 0.965 594 S CB -0.248 62.966 63.200 0.024 0.000 0.812 594 S HN 0.199 nan 8.310 nan 0.000 0.482 595 L N 0.670 121.860 121.223 -0.055 0.000 2.012 595 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 595 L C 2.558 179.536 176.870 0.180 0.000 1.073 595 L CA 1.557 56.332 54.840 -0.108 0.000 0.748 595 L CB -0.553 41.036 42.059 -0.782 0.000 0.891 595 L HN 0.363 nan 8.230 nan 0.000 0.431 596 I N -0.668 120.021 120.570 0.199 0.000 2.179 596 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 596 I C 2.843 179.191 176.117 0.384 0.000 1.088 596 I CA 1.267 62.787 61.300 0.367 0.000 1.357 596 I CB -0.302 37.892 38.000 0.322 0.000 1.051 596 I HN 0.208 nan 8.210 nan 0.000 0.409 597 R N 0.363 121.070 120.500 0.344 0.000 2.073 597 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 597 R C 2.297 178.728 176.300 0.218 0.000 1.134 597 R CA 2.181 58.466 56.100 0.308 0.000 0.952 597 R CB -0.347 30.088 30.300 0.225 0.000 0.850 597 R HN 0.278 nan 8.270 nan 0.000 0.433 598 T N 0.049 114.710 114.554 0.177 0.000 2.635 598 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 598 T C 1.513 176.268 174.700 0.093 0.000 1.040 598 T CA 1.867 64.022 62.100 0.091 0.000 1.156 598 T CB -0.484 68.397 68.868 0.020 0.000 0.863 598 T HN 0.324 nan 8.240 nan 0.000 0.430 599 Y N 0.537 120.903 120.300 0.110 0.000 2.293 599 Y HA 0.036 4.586 4.550 -0.000 0.000 0.291 599 Y C 2.547 178.528 175.900 0.135 0.000 1.137 599 Y CA 0.788 58.950 58.100 0.104 0.000 1.202 599 Y CB -0.440 38.137 38.460 0.195 0.000 0.990 599 Y HN 0.141 nan 8.280 nan 0.000 0.537 600 M N -0.051 119.749 119.600 0.334 0.000 2.065 600 M HA -0.286 4.193 4.480 -0.000 0.000 0.259 600 M C 2.383 178.807 176.300 0.206 0.000 1.071 600 M CA 1.899 57.352 55.300 0.255 0.000 1.109 600 M CB -0.273 32.423 32.600 0.160 0.000 1.313 600 M HN 0.195 nan 8.290 nan 0.000 0.408 601 E N 0.577 120.857 120.200 0.134 0.000 2.169 601 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 601 E C 1.770 178.376 176.600 0.009 0.000 1.016 601 E CA 1.798 58.233 56.400 0.059 0.000 0.817 601 E CB -0.176 29.546 29.700 0.037 0.000 0.736 601 E HN 0.589 nan 8.360 nan 0.000 0.462 602 R N -0.317 120.186 120.500 0.005 0.000 2.189 602 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 602 R C 1.301 177.543 176.300 -0.097 0.000 1.092 602 R CA 1.259 57.329 56.100 -0.050 0.000 0.989 602 R CB 0.153 30.408 30.300 -0.075 0.000 0.876 602 R HN 0.130 nan 8.270 nan 0.000 0.457 603 D N -2.339 117.983 120.400 -0.129 0.000 2.486 603 D HA 0.107 4.747 4.640 -0.000 0.000 0.243 603 D C -0.694 175.146 176.300 -0.767 0.000 1.146 603 D CA 0.356 54.095 54.000 -0.436 0.000 0.821 603 D CB 0.897 41.388 40.800 -0.515 0.000 1.201 603 D HN -0.011 nan 8.370 nan 0.000 0.525 604 Y N 0.058 120.307 120.300 -0.085 0.000 2.588 604 Y HA 0.427 4.977 4.550 -0.000 0.000 0.343 604 Y C -0.051 175.783 175.900 -0.110 0.000 1.065 604 Y CA -0.926 57.107 58.100 -0.111 0.000 1.038 604 Y CB 1.579 39.968 38.460 -0.119 0.000 1.297 604 Y HN -0.319 nan 8.280 nan 0.000 0.467 605 I N 3.489 124.059 120.570 0.001 0.000 2.396 605 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 605 I C -0.246 175.900 176.117 0.048 0.000 1.056 605 I CA -0.062 61.193 61.300 -0.075 0.000 1.365 605 I CB 0.375 38.157 38.000 -0.364 0.000 1.407 605 I HN 0.389 nan 8.210 nan 0.000 0.509 606 I N 9.196 129.807 120.570 0.069 0.000 2.578 606 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 606 I C -1.829 174.364 176.117 0.127 0.000 1.126 606 I CA -1.345 60.026 61.300 0.118 0.000 1.380 606 I CB -0.269 37.807 38.000 0.126 0.000 1.408 606 I HN 0.330 nan 8.210 nan 0.000 0.532 607 P HA 0.090 nan 4.420 nan 0.000 0.272 607 P C 0.381 177.755 177.300 0.124 0.000 1.223 607 P CA -0.325 62.864 63.100 0.148 0.000 0.784 607 P CB 0.735 32.517 31.700 0.136 0.000 0.923 608 E N 0.113 120.374 120.200 0.103 0.000 2.072 608 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 608 E C 0.753 177.397 176.600 0.073 0.000 0.982 608 E CA 1.000 57.446 56.400 0.075 0.000 0.803 608 E CB -0.484 29.259 29.700 0.073 0.000 0.755 608 E HN 0.590 nan 8.360 nan 0.000 0.453 609 S N 0.034 115.786 115.700 0.088 0.000 2.601 609 S HA 0.111 4.581 4.470 -0.000 0.000 0.271 609 S C 0.922 175.601 174.600 0.131 0.000 1.305 609 S CA -0.749 57.516 58.200 0.107 0.000 1.022 609 S CB 0.937 64.196 63.200 0.098 0.000 0.940 609 S HN 0.087 nan 8.310 nan 0.000 0.525 610 F N 2.306 122.268 119.950 0.020 0.000 2.063 610 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 610 F C 2.067 177.892 175.800 0.043 0.000 1.109 610 F CA 2.391 60.394 58.000 0.005 0.000 1.212 610 F CB -0.679 38.322 39.000 0.000 0.000 0.973 610 F HN 0.751 nan 8.300 nan 0.000 0.480 611 E N 0.034 120.257 120.200 0.038 0.000 2.110 611 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 611 E C 1.859 178.432 176.600 -0.046 0.000 0.988 611 E CA 1.573 57.942 56.400 -0.051 0.000 0.804 611 E CB -0.404 29.329 29.700 0.054 0.000 0.745 611 E HN 0.428 nan 8.360 nan 0.000 0.458 612 D N -0.568 119.845 120.400 0.022 0.000 2.162 612 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 612 D C 1.543 177.855 176.300 0.021 0.000 0.967 612 D CA 0.398 54.451 54.000 0.088 0.000 0.840 612 D CB -0.253 40.605 40.800 0.096 0.000 0.972 612 D HN 0.125 nan 8.370 nan 0.000 0.482 613 F N 1.459 121.293 119.950 -0.193 0.000 2.126 613 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 613 F C 2.091 177.646 175.800 -0.408 0.000 1.096 613 F CA 1.101 58.925 58.000 -0.293 0.000 1.255 613 F CB -0.239 38.561 39.000 -0.332 0.000 0.997 613 F HN -0.221 nan 8.300 nan 0.000 0.479 614 V N -0.029 119.598 119.914 -0.478 0.000 2.295 614 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 614 V C 2.130 178.019 176.094 -0.341 0.000 1.049 614 V CA 2.234 64.231 62.300 -0.505 0.000 1.024 614 V CB -1.200 30.330 31.823 -0.488 0.000 0.648 614 V HN 0.610 nan 8.190 nan 0.000 0.447 615 Y N 0.875 121.003 120.300 -0.286 0.000 2.128 615 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 615 Y C 2.320 178.042 175.900 -0.298 0.000 1.154 615 Y CA 2.000 59.978 58.100 -0.203 0.000 1.149 615 Y CB -0.652 37.786 38.460 -0.037 0.000 0.976 615 Y HN 0.042 nan 8.280 nan 0.000 0.505 616 V N 0.645 120.049 119.914 -0.848 0.000 2.427 616 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 616 V C 2.665 178.233 176.094 -0.876 0.000 1.051 616 V CA 1.821 63.514 62.300 -1.013 0.000 1.048 616 V CB -1.556 29.837 31.823 -0.716 0.000 0.666 616 V HN 0.657 nan 8.190 nan 0.000 0.456 617 G N -0.082 108.254 108.800 -0.773 0.000 2.442 617 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 617 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 617 G C 1.583 176.199 174.900 -0.474 0.000 1.141 617 G CA 0.963 45.694 45.100 -0.615 0.000 0.763 617 G HN 0.474 nan 8.290 nan 0.000 0.554 618 L N 0.081 120.997 121.223 -0.512 0.000 2.046 618 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 618 L C 2.984 179.468 176.870 -0.643 0.000 1.077 618 L CA 0.518 55.025 54.840 -0.555 0.000 0.747 618 L CB -0.505 41.191 42.059 -0.606 0.000 0.896 618 L HN 0.089 nan 8.230 nan 0.000 0.432 619 V N -0.073 119.441 119.914 -0.668 0.000 2.358 619 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 619 V C 2.345 178.124 176.094 -0.525 0.000 1.047 619 V CA 1.659 63.604 62.300 -0.592 0.000 1.035 619 V CB -0.353 31.078 31.823 -0.653 0.000 0.658 619 V HN 0.352 nan 8.190 nan 0.000 0.452 620 L N 0.289 121.161 121.223 -0.586 0.000 1.976 620 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 620 L C 2.510 179.120 176.870 -0.433 0.000 1.071 620 L CA 2.500 57.104 54.840 -0.393 0.000 0.746 620 L CB -1.012 40.862 42.059 -0.307 0.000 0.890 620 L HN 0.410 nan 8.230 nan 0.000 0.432 621 Q N -0.602 118.988 119.800 -0.351 0.000 2.112 621 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 621 Q C 1.992 177.709 176.000 -0.473 0.000 0.987 621 Q CA 2.024 57.642 55.803 -0.308 0.000 0.858 621 Q CB -0.556 28.116 28.738 -0.111 0.000 0.905 621 Q HN 0.684 nan 8.270 nan 0.000 0.420 622 G N 0.173 108.686 108.800 -0.479 0.000 2.408 622 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 622 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 622 G C 1.377 176.010 174.900 -0.445 0.000 1.150 622 G CA 0.405 45.223 45.100 -0.471 0.000 0.776 622 G HN 0.290 nan 8.290 nan 0.000 0.542 623 Q N 0.331 119.872 119.800 -0.431 0.000 2.083 623 Q HA -0.013 4.327 4.340 -0.000 0.000 0.198 623 Q C 2.814 178.495 176.000 -0.530 0.000 0.969 623 Q CA 1.347 56.931 55.803 -0.364 0.000 0.838 623 Q CB -0.566 28.036 28.738 -0.226 0.000 0.900 623 Q HN 0.443 nan 8.270 nan 0.000 0.436 624 G N 0.673 108.895 108.800 -0.963 0.000 2.394 624 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.214 624 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.214 624 G C 1.477 175.744 174.900 -1.055 0.000 1.176 624 G CA 0.453 44.459 45.100 -1.824 0.000 0.786 624 G HN 0.130 nan 8.290 nan 0.000 0.533 625 M N 1.414 120.551 119.600 -0.772 0.000 2.080 625 M HA -0.086 4.394 4.480 -0.000 0.000 0.260 625 M C 2.617 178.774 176.300 -0.239 0.000 1.068 625 M CA 1.688 56.764 55.300 -0.373 0.000 1.109 625 M CB -0.939 31.341 32.600 -0.533 0.000 1.342 625 M HN 0.404 nan 8.290 nan 0.000 0.405 626 R N -1.034 119.268 120.500 -0.330 0.000 2.152 626 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 626 R C 1.899 178.095 176.300 -0.173 0.000 1.117 626 R CA 1.838 57.781 56.100 -0.262 0.000 0.981 626 R CB -1.490 28.649 30.300 -0.269 0.000 0.870 626 R HN 0.413 nan 8.270 nan 0.000 0.451 627 H N 0.036 118.962 119.070 -0.239 0.000 2.387 627 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 627 H C 2.018 177.238 175.328 -0.180 0.000 1.090 627 H CA 2.076 58.017 56.048 -0.177 0.000 1.332 627 H CB -0.429 29.235 29.762 -0.162 0.000 1.386 627 H HN 0.375 nan 8.280 nan 0.000 0.516 628 G N 0.266 109.008 108.800 -0.097 0.000 2.404 628 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 628 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 628 G C 1.703 176.137 174.900 -0.777 0.000 1.174 628 G CA 0.782 45.661 45.100 -0.368 0.000 0.780 628 G HN 0.392 nan 8.290 nan 0.000 0.537 629 L N 0.256 121.322 121.223 -0.261 0.000 2.043 629 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 629 L C 2.896 179.679 176.870 -0.145 0.000 1.075 629 L CA 1.540 56.331 54.840 -0.081 0.000 0.752 629 L CB -0.502 41.548 42.059 -0.015 0.000 0.891 629 L HN 0.309 nan 8.230 nan 0.000 0.432 630 E N 0.135 120.195 120.200 -0.234 0.000 2.051 630 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 630 E C 2.345 178.764 176.600 -0.302 0.000 0.991 630 E CA 1.166 57.421 56.400 -0.242 0.000 0.799 630 E CB -0.228 29.321 29.700 -0.253 0.000 0.748 630 E HN 0.507 nan 8.360 nan 0.000 0.449 631 A N 1.133 123.699 122.820 -0.423 0.000 1.883 631 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 631 A C 1.757 179.240 177.584 -0.170 0.000 1.186 631 A CA 1.913 53.738 52.037 -0.352 0.000 0.624 631 A CB -1.028 17.741 19.000 -0.385 0.000 0.822 631 A HN 0.352 nan 8.150 nan 0.000 0.444 632 H N -0.980 118.024 119.070 -0.109 0.000 2.293 632 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 632 H C 2.499 177.878 175.328 0.085 0.000 1.082 632 H CA 1.346 57.415 56.048 0.035 0.000 1.308 632 H CB -0.079 29.723 29.762 0.066 0.000 1.375 632 H HN 0.396 nan 8.280 nan 0.000 0.495 633 R N 0.588 121.060 120.500 -0.046 0.000 2.081 633 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 633 R C 2.441 178.555 176.300 -0.311 0.000 1.131 633 R CA 1.117 56.889 56.100 -0.547 0.000 0.960 633 R CB -0.204 29.812 30.300 -0.473 0.000 0.856 633 R HN 0.284 nan 8.270 nan 0.000 0.436 634 R N 0.683 121.049 120.500 -0.223 0.000 2.189 634 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 634 R C 0.888 177.082 176.300 -0.177 0.000 1.092 634 R CA 1.030 56.971 56.100 -0.265 0.000 0.989 634 R CB 0.095 30.125 30.300 -0.449 0.000 0.876 634 R HN 0.191 nan 8.270 nan 0.000 0.457 635 N N 0.875 119.536 118.700 -0.065 0.000 2.251 635 N HA -0.031 4.709 4.740 -0.000 0.000 0.217 635 N C -0.427 175.187 175.510 0.173 0.000 1.124 635 N CA -0.098 52.980 53.050 0.047 0.000 0.843 635 N CB 0.362 38.888 38.487 0.065 0.000 1.024 635 N HN 0.156 nan 8.380 nan 0.000 0.501 636 R N 2.454 123.038 120.500 0.140 0.000 2.522 636 R HA 0.046 4.386 4.340 -0.000 0.000 0.284 636 R C -1.639 174.750 176.300 0.147 0.000 1.032 636 R CA -0.600 55.617 56.100 0.195 0.000 1.049 636 R CB 0.689 31.062 30.300 0.123 0.000 0.956 636 R HN 0.017 nan 8.270 nan 0.000 0.422 637 P HA -0.015 nan 4.420 nan 0.000 0.267 637 P C 0.558 177.948 177.300 0.151 0.000 1.289 637 P CA 0.131 63.309 63.100 0.131 0.000 0.866 637 P CB -0.031 31.695 31.700 0.043 0.000 1.309 638 Y N 0.964 121.327 120.300 0.104 0.000 2.081 638 Y HA -0.199 4.351 4.550 -0.000 0.000 0.280 638 Y C 1.194 177.179 175.900 0.141 0.000 1.163 638 Y CA 1.374 59.544 58.100 0.117 0.000 1.135 638 Y CB -0.592 37.932 38.460 0.106 0.000 0.970 638 Y HN 0.029 nan 8.280 nan 0.000 0.498 639 C N 2.071 121.568 119.300 0.330 0.000 2.350 639 C HA 0.349 4.809 4.460 -0.000 0.000 0.348 639 C C 0.738 175.870 174.990 0.236 0.000 1.260 639 C CA -0.755 58.407 59.018 0.240 0.000 1.966 639 C CB -0.075 27.840 27.740 0.291 0.000 2.380 639 C HN 0.608 nan 8.230 nan 0.000 0.535 640 M N 4.584 124.207 119.600 0.038 0.000 2.412 640 M HA 0.313 4.793 4.480 -0.000 0.000 0.315 640 M C 0.530 176.285 176.300 -0.908 0.000 1.092 640 M CA 0.224 55.449 55.300 -0.125 0.000 0.974 640 M CB -0.091 32.629 32.600 0.200 0.000 1.437 640 M HN 0.993 nan 8.290 nan 0.000 0.524 641 G N -0.397 107.517 108.800 -1.476 0.000 2.338 641 G HA2 0.358 4.318 3.960 -0.000 0.000 0.295 641 G HA3 0.358 4.318 3.960 -0.000 0.000 0.295 641 G C -1.632 172.443 174.900 -1.376 0.000 1.461 641 G CA -0.402 43.585 45.100 -1.855 0.000 0.817 641 G HN -0.096 nan 8.290 nan 0.000 0.556 642 T N 0.125 114.189 114.554 -0.817 0.000 3.237 642 T HA 0.573 4.923 4.350 -0.000 0.000 0.319 642 T C -1.325 173.346 174.700 -0.049 0.000 1.037 642 T CA -0.434 61.496 62.100 -0.282 0.000 1.048 642 T CB 0.465 69.470 68.868 0.229 0.000 1.081 642 T HN 0.659 nan 8.240 nan 0.000 0.455 643 L N 6.373 127.597 121.223 0.002 0.000 2.372 643 L HA 0.583 4.923 4.340 -0.000 0.000 0.274 643 L C -0.417 176.497 176.870 0.074 0.000 0.988 643 L CA -1.328 53.504 54.840 -0.013 0.000 0.833 643 L CB 1.206 43.203 42.059 -0.103 0.000 1.236 643 L HN 0.703 nan 8.230 nan 0.000 0.410 644 Y N 0.188 120.521 120.300 0.054 0.000 2.307 644 Y HA 0.381 4.931 4.550 -0.000 0.000 0.324 644 Y C -0.370 175.402 175.900 -0.213 0.000 1.238 644 Y CA -1.014 56.999 58.100 -0.145 0.000 1.280 644 Y CB 0.945 39.163 38.460 -0.403 0.000 1.248 644 Y HN 0.582 nan 8.280 nan 0.000 0.508 645 W N 6.627 127.832 121.300 -0.158 0.000 2.332 645 W HA 0.335 4.995 4.660 -0.000 0.000 0.306 645 W C -1.356 175.157 176.519 -0.009 0.000 1.149 645 W CA -0.505 56.754 57.345 -0.144 0.000 1.271 645 W CB 1.195 30.648 29.460 -0.013 0.000 1.243 645 W HN 0.922 nan 8.180 nan 0.000 0.459 646 Q N 4.041 123.552 119.800 -0.482 0.000 2.501 646 Q HA 0.261 4.601 4.340 -0.000 0.000 0.288 646 Q C -0.363 175.281 176.000 -0.593 0.000 1.051 646 Q CA -0.856 54.275 55.803 -1.119 0.000 0.788 646 Q CB 1.840 29.455 28.738 -1.871 0.000 1.469 646 Q HN 0.417 nan 8.270 nan 0.000 0.416 647 L N 1.112 121.934 121.223 -0.668 0.000 2.072 647 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 647 L C 0.025 176.675 176.870 -0.368 0.000 1.079 647 L CA 1.858 56.456 54.840 -0.402 0.000 0.752 647 L CB -0.168 41.659 42.059 -0.387 0.000 0.906 647 L HN 0.875 nan 8.230 nan 0.000 0.436 648 N N -2.013 116.386 118.700 -0.502 0.000 2.571 648 N HA 0.267 5.007 4.740 -0.000 0.000 0.273 648 N C -1.643 173.576 175.510 -0.486 0.000 1.340 648 N CA -0.671 52.115 53.050 -0.440 0.000 0.789 648 N CB 1.317 39.558 38.487 -0.410 0.000 1.514 648 N HN -0.118 nan 8.380 nan 0.000 0.499 649 D N -0.729 119.471 120.400 -0.335 0.000 2.433 649 D HA 0.295 4.935 4.640 -0.000 0.000 0.236 649 D C 0.388 176.639 176.300 -0.081 0.000 1.026 649 D CA -0.371 53.481 54.000 -0.246 0.000 0.884 649 D CB 2.160 42.884 40.800 -0.127 0.000 1.384 649 D HN 0.623 nan 8.370 nan 0.000 0.477 650 S N 0.121 115.821 115.700 0.001 0.000 2.517 650 S HA 0.137 4.607 4.470 -0.000 0.000 0.214 650 S C 0.412 175.023 174.600 0.018 0.000 0.991 650 S CA -0.278 58.005 58.200 0.139 0.000 0.906 650 S CB 0.305 63.635 63.200 0.217 0.000 0.789 650 S HN 0.620 nan 8.310 nan 0.000 0.513 651 W N -0.180 120.751 121.300 -0.615 0.000 2.989 651 W HA 0.521 5.180 4.660 -0.000 0.000 0.344 651 W C -3.812 172.213 176.519 -0.824 0.000 1.233 651 W CA -2.614 53.839 57.345 -1.487 0.000 1.187 651 W CB -0.222 28.190 29.460 -1.745 0.000 1.443 651 W HN -0.234 nan 8.180 nan 0.000 0.573 652 P HA 0.272 nan 4.420 nan 0.000 0.264 652 P C -0.477 176.140 177.300 -1.137 0.000 1.229 652 P CA 0.572 63.349 63.100 -0.538 0.000 0.780 652 P CB 1.027 32.765 31.700 0.063 0.000 0.808 653 V N 4.639 124.052 119.914 -0.835 0.000 3.147 653 V HA 0.232 4.352 4.120 -0.000 0.000 0.299 653 V C -0.904 174.897 176.094 -0.488 0.000 1.302 653 V CA -0.997 60.756 62.300 -0.910 0.000 1.015 653 V CB 2.758 34.000 31.823 -0.968 0.000 1.086 653 V HN 0.062 nan 8.190 nan 0.000 0.437 654 V N 5.063 124.679 119.914 -0.497 0.000 2.521 654 V HA 0.669 4.789 4.120 -0.000 0.000 0.286 654 V C 0.455 176.286 176.094 -0.440 0.000 1.034 654 V CA 1.070 63.058 62.300 -0.520 0.000 1.045 654 V CB 0.517 31.866 31.823 -0.789 0.000 0.974 654 V HN 1.182 nan 8.190 nan 0.000 0.480 655 S N 4.117 119.540 115.700 -0.461 0.000 2.661 655 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 655 S C -0.257 174.042 174.600 -0.503 0.000 1.162 655 S CA -0.842 57.098 58.200 -0.433 0.000 0.817 655 S CB 1.111 64.286 63.200 -0.041 0.000 1.141 655 S HN 0.537 nan 8.310 nan 0.000 0.477 656 W N 2.334 123.511 121.300 -0.206 0.000 3.180 656 W HA 0.181 4.841 4.660 -0.000 0.000 0.254 656 W C 1.267 177.622 176.519 -0.273 0.000 1.318 656 W CA 0.273 57.477 57.345 -0.235 0.000 1.608 656 W CB -0.429 29.033 29.460 0.002 0.000 1.124 656 W HN 0.818 nan 8.180 nan 0.000 0.694 657 S N 0.676 116.306 115.700 -0.117 0.000 2.576 657 S HA 0.026 4.496 4.470 -0.000 0.000 0.272 657 S C 1.238 175.721 174.600 -0.195 0.000 1.352 657 S CA 0.323 58.397 58.200 -0.210 0.000 1.021 657 S CB 1.594 64.641 63.200 -0.255 0.000 0.887 657 S HN 0.118 nan 8.310 nan 0.000 0.542 658 S N 1.048 116.651 115.700 -0.162 0.000 2.503 658 S HA 0.344 4.814 4.470 -0.000 0.000 0.215 658 S C 0.257 174.723 174.600 -0.224 0.000 1.003 658 S CA -0.451 57.642 58.200 -0.179 0.000 0.910 658 S CB -0.567 62.599 63.200 -0.058 0.000 0.790 658 S HN 0.705 nan 8.310 nan 0.000 0.514 659 I N 3.201 123.618 120.570 -0.254 0.000 2.499 659 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 659 I C -0.936 175.079 176.117 -0.170 0.000 1.048 659 I CA -0.973 60.173 61.300 -0.257 0.000 1.062 659 I CB 1.995 39.751 38.000 -0.407 0.000 1.238 659 I HN 0.131 nan 8.210 nan 0.000 0.426 660 D N 4.610 124.966 120.400 -0.075 0.000 2.384 660 D HA -0.097 4.543 4.640 -0.000 0.000 0.244 660 D C 0.981 177.266 176.300 -0.026 0.000 1.251 660 D CA -0.009 53.972 54.000 -0.032 0.000 0.961 660 D CB 0.568 41.402 40.800 0.057 0.000 1.116 660 D HN 0.557 nan 8.370 nan 0.000 0.484 661 Y N -0.075 120.122 120.300 -0.172 0.000 2.256 661 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 661 Y C 1.093 176.805 175.900 -0.313 0.000 1.155 661 Y CA 1.427 59.349 58.100 -0.296 0.000 1.203 661 Y CB -0.314 37.883 38.460 -0.439 0.000 0.980 661 Y HN 0.398 nan 8.280 nan 0.000 0.530 662 Y N -0.002 120.259 120.300 -0.066 0.000 2.490 662 Y HA 0.271 4.821 4.550 -0.000 0.000 0.281 662 Y C 1.905 177.766 175.900 -0.065 0.000 1.174 662 Y CA 0.337 58.379 58.100 -0.096 0.000 1.295 662 Y CB 0.015 38.511 38.460 0.061 0.000 1.062 662 Y HN 0.231 nan 8.280 nan 0.000 0.522 663 G N -0.026 108.793 108.800 0.031 0.000 2.141 663 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.242 663 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.242 663 G C -0.169 174.828 174.900 0.162 0.000 0.982 663 G CA -0.287 44.844 45.100 0.053 0.000 0.662 663 G HN 0.283 nan 8.290 nan 0.000 0.527 664 N N 0.290 119.104 118.700 0.191 0.000 2.458 664 N HA 0.301 5.041 4.740 -0.000 0.000 0.270 664 N C -0.086 175.597 175.510 0.289 0.000 1.102 664 N CA -0.076 53.129 53.050 0.259 0.000 0.967 664 N CB 0.489 39.128 38.487 0.253 0.000 1.078 664 N HN 0.213 nan 8.380 nan 0.000 0.471 665 W N 2.489 123.798 121.300 0.016 0.000 2.303 665 W HA 0.169 4.829 4.660 -0.000 0.000 0.318 665 W C 1.090 177.622 176.519 0.022 0.000 1.362 665 W CA -0.329 56.951 57.345 -0.108 0.000 1.234 665 W CB 0.033 29.284 29.460 -0.349 0.000 1.248 665 W HN 0.199 nan 8.180 nan 0.000 0.546 666 K N 2.202 122.628 120.400 0.043 0.000 2.118 666 K HA 0.372 4.692 4.320 -0.000 0.000 0.240 666 K C 1.283 177.703 176.600 -0.300 0.000 1.035 666 K CA -0.024 56.156 56.287 -0.178 0.000 0.899 666 K CB 0.565 32.895 32.500 -0.284 0.000 1.085 666 K HN 0.452 nan 8.250 nan 0.000 0.498 667 A N 1.228 123.413 122.820 -1.058 0.000 1.927 667 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 667 A C 2.021 179.368 177.584 -0.395 0.000 1.185 667 A CA 1.718 53.135 52.037 -1.033 0.000 0.639 667 A CB -0.617 17.509 19.000 -1.456 0.000 0.820 667 A HN 0.651 nan 8.150 nan 0.000 0.451 668 L N -0.798 120.147 121.223 -0.462 0.000 2.051 668 L HA -0.245 4.094 4.340 -0.000 0.000 0.214 668 L C 2.236 178.833 176.870 -0.455 0.000 1.076 668 L CA 2.863 57.422 54.840 -0.469 0.000 0.758 668 L CB -1.021 40.727 42.059 -0.519 0.000 0.890 668 L HN 0.610 nan 8.230 nan 0.000 0.433 669 H N -2.230 116.560 119.070 -0.466 0.000 2.353 669 H HA -0.168 4.388 4.556 -0.000 0.000 0.300 669 H C 1.944 176.950 175.328 -0.537 0.000 1.090 669 H CA 2.317 57.969 56.048 -0.659 0.000 1.327 669 H CB -0.171 28.946 29.762 -1.076 0.000 1.383 669 H HN 0.459 nan 8.280 nan 0.000 0.508 670 Y N 0.174 120.491 120.300 0.027 0.000 2.181 670 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 670 Y C 2.600 178.462 175.900 -0.063 0.000 1.146 670 Y CA 1.226 59.425 58.100 0.165 0.000 1.164 670 Y CB -0.192 38.439 38.460 0.285 0.000 0.982 670 Y HN 0.271 nan 8.280 nan 0.000 0.515 671 Q N -0.312 119.458 119.800 -0.050 0.000 2.119 671 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 671 Q C 2.579 178.369 176.000 -0.351 0.000 0.972 671 Q CA 1.185 56.880 55.803 -0.180 0.000 0.847 671 Q CB -0.566 28.021 28.738 -0.252 0.000 0.903 671 Q HN 0.537 nan 8.270 nan 0.000 0.433 672 A N 1.711 124.201 122.820 -0.551 0.000 1.902 672 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 672 A C 2.157 179.355 177.584 -0.643 0.000 1.181 672 A CA 1.777 53.315 52.037 -0.831 0.000 0.623 672 A CB -0.462 18.002 19.000 -0.893 0.000 0.818 672 A HN 0.312 nan 8.150 nan 0.000 0.443 673 K N -0.214 119.950 120.400 -0.394 0.000 2.020 673 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 673 K C 2.231 178.811 176.600 -0.034 0.000 1.050 673 K CA 1.965 58.177 56.287 -0.126 0.000 0.929 673 K CB -0.221 32.296 32.500 0.029 0.000 0.714 673 K HN 0.462 nan 8.250 nan 0.000 0.443 674 R N -0.172 120.303 120.500 -0.042 0.000 2.075 674 R HA -0.057 4.283 4.340 -0.000 0.000 0.232 674 R C 2.403 178.681 176.300 -0.036 0.000 1.126 674 R CA 1.262 57.357 56.100 -0.009 0.000 0.963 674 R CB -0.379 29.921 30.300 0.000 0.000 0.858 674 R HN 0.285 nan 8.270 nan 0.000 0.435 675 A N 0.317 123.054 122.820 -0.138 0.000 2.067 675 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 675 A C 1.276 178.916 177.584 0.095 0.000 1.158 675 A CA 0.937 52.904 52.037 -0.118 0.000 0.661 675 A CB -0.192 18.645 19.000 -0.272 0.000 0.801 675 A HN 0.183 nan 8.150 nan 0.000 0.452 676 F N -0.305 119.616 119.950 -0.048 0.000 2.727 676 F HA 0.437 4.964 4.527 -0.000 0.000 0.302 676 F C 1.501 177.286 175.800 -0.025 0.000 1.097 676 F CA -0.847 57.132 58.000 -0.035 0.000 1.330 676 F CB -0.988 37.989 39.000 -0.038 0.000 1.084 676 F HN 0.168 nan 8.300 nan 0.000 0.578 677 A N 1.478 124.389 122.820 0.151 0.000 2.531 677 A HA 0.129 4.449 4.320 -0.000 0.000 0.236 677 A C -1.205 176.424 177.584 0.074 0.000 1.062 677 A CA -0.703 51.391 52.037 0.095 0.000 0.760 677 A CB -0.256 18.783 19.000 0.065 0.000 0.995 677 A HN 0.065 nan 8.150 nan 0.000 0.501 678 P HA -0.082 nan 4.420 nan 0.000 0.216 678 P C 0.049 177.384 177.300 0.058 0.000 1.153 678 P CA 1.066 64.207 63.100 0.068 0.000 0.858 678 P CB 0.048 31.798 31.700 0.083 0.000 0.789 679 V N 0.547 120.491 119.914 0.051 0.000 2.384 679 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 679 V C -0.256 175.854 176.094 0.027 0.000 1.020 679 V CA -0.692 61.631 62.300 0.037 0.000 0.850 679 V CB 1.474 33.319 31.823 0.037 0.000 0.987 679 V HN -0.147 nan 8.190 nan 0.000 0.436 680 L N 6.858 128.091 121.223 0.018 0.000 2.362 680 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 680 L C -0.550 176.329 176.870 0.015 0.000 0.998 680 L CA -0.072 54.775 54.840 0.012 0.000 0.820 680 L CB 1.684 43.743 42.059 -0.001 0.000 1.270 680 L HN 0.548 nan 8.230 nan 0.000 0.415 681 I N 4.851 125.429 120.570 0.013 0.000 2.325 681 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 681 I C 0.188 176.320 176.117 0.025 0.000 1.019 681 I CA 0.040 61.353 61.300 0.021 0.000 1.302 681 I CB 0.649 38.653 38.000 0.007 0.000 1.401 681 I HN 0.631 nan 8.210 nan 0.000 0.485 682 N N 8.806 127.536 118.700 0.050 0.000 2.706 682 N HA 0.331 5.071 4.740 -0.000 0.000 0.240 682 N C -2.682 172.871 175.510 0.071 0.000 1.039 682 N CA -1.627 51.444 53.050 0.036 0.000 0.888 682 N CB 1.404 39.885 38.487 -0.010 0.000 1.128 682 N HN 0.225 nan 8.380 nan 0.000 0.512 683 P HA 0.168 nan 4.420 nan 0.000 0.276 683 P C -0.782 176.499 177.300 -0.031 0.000 1.243 683 P CA -0.330 62.741 63.100 -0.048 0.000 0.768 683 P CB 1.091 32.665 31.700 -0.209 0.000 0.856 684 I N 2.233 122.814 120.570 0.018 0.000 2.447 684 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 684 I C -0.869 175.310 176.117 0.104 0.000 1.023 684 I CA -0.871 60.474 61.300 0.074 0.000 1.083 684 I CB 1.825 39.842 38.000 0.030 0.000 1.245 684 I HN 0.262 nan 8.210 nan 0.000 0.434 685 Q N 6.559 126.466 119.800 0.179 0.000 2.322 685 Q HA 0.600 4.940 4.340 -0.000 0.000 0.265 685 Q C -1.548 174.562 176.000 0.184 0.000 0.985 685 Q CA -0.559 55.368 55.803 0.207 0.000 0.849 685 Q CB 1.320 30.262 28.738 0.341 0.000 1.274 685 Q HN 0.723 nan 8.270 nan 0.000 0.449 686 Q N 2.202 122.092 119.800 0.150 0.000 2.416 686 Q HA 0.307 4.647 4.340 -0.000 0.000 0.281 686 Q C -0.982 175.081 176.000 0.105 0.000 1.067 686 Q CA -0.899 54.975 55.803 0.120 0.000 0.809 686 Q CB 1.827 30.628 28.738 0.105 0.000 1.418 686 Q HN 0.839 nan 8.270 nan 0.000 0.411 687 N N 1.555 120.306 118.700 0.085 0.000 2.714 687 N HA -0.220 4.520 4.740 -0.000 0.000 0.252 687 N C -1.080 174.475 175.510 0.075 0.000 1.014 687 N CA 0.643 53.734 53.050 0.069 0.000 0.735 687 N CB -0.739 37.784 38.487 0.060 0.000 0.924 687 N HN 0.742 nan 8.380 nan 0.000 0.540 688 D N -0.961 119.491 120.400 0.087 0.000 2.737 688 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 688 D C -0.742 175.629 176.300 0.118 0.000 1.155 688 D CA 1.730 55.787 54.000 0.094 0.000 0.667 688 D CB -0.809 40.028 40.800 0.062 0.000 1.060 688 D HN 0.535 nan 8.370 nan 0.000 0.427 689 S N -0.682 115.102 115.700 0.139 0.000 2.546 689 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 689 S C -1.395 173.317 174.600 0.186 0.000 1.121 689 S CA -0.913 57.378 58.200 0.152 0.000 0.887 689 S CB 1.577 64.837 63.200 0.099 0.000 1.094 689 S HN 0.184 nan 8.310 nan 0.000 0.474 690 L N 3.402 124.760 121.223 0.225 0.000 2.322 690 L HA 0.777 5.117 4.340 -0.000 0.000 0.281 690 L C -0.664 176.306 176.870 0.167 0.000 1.014 690 L CA 0.240 55.214 54.840 0.223 0.000 0.815 690 L CB 1.839 44.119 42.059 0.368 0.000 1.247 690 L HN 0.649 nan 8.230 nan 0.000 0.421 691 S N 3.121 118.914 115.700 0.155 0.000 2.536 691 S HA 0.789 5.259 4.470 -0.000 0.000 0.298 691 S C -1.026 173.684 174.600 0.185 0.000 1.083 691 S CA -0.628 57.659 58.200 0.144 0.000 0.995 691 S CB 2.043 65.351 63.200 0.179 0.000 1.058 691 S HN 0.392 nan 8.310 nan 0.000 0.488 692 V N 3.043 123.033 119.914 0.126 0.000 2.409 692 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 692 V C -1.411 174.695 176.094 0.021 0.000 1.020 692 V CA -0.585 61.789 62.300 0.124 0.000 0.848 692 V CB 0.705 32.585 31.823 0.095 0.000 0.990 692 V HN 0.857 nan 8.190 nan 0.000 0.430 693 Y N 4.415 124.719 120.300 0.007 0.000 2.409 693 Y HA 0.658 5.208 4.550 -0.000 0.000 0.339 693 Y C 0.031 175.924 175.900 -0.012 0.000 1.033 693 Y CA -0.906 57.192 58.100 -0.003 0.000 1.094 693 Y CB 1.882 40.332 38.460 -0.017 0.000 1.210 693 Y HN 0.401 nan 8.280 nan 0.000 0.456 694 L N 5.176 126.475 121.223 0.127 0.000 2.305 694 L HA 0.542 4.882 4.340 -0.000 0.000 0.284 694 L C -0.886 176.029 176.870 0.074 0.000 1.013 694 L CA -0.445 54.437 54.840 0.070 0.000 0.819 694 L CB 1.138 43.215 42.059 0.031 0.000 1.227 694 L HN 0.535 nan 8.230 nan 0.000 0.417 695 I N 2.445 123.042 120.570 0.045 0.000 2.389 695 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 695 I C -0.169 175.952 176.117 0.007 0.000 0.999 695 I CA -0.149 61.158 61.300 0.012 0.000 1.129 695 I CB 2.079 40.056 38.000 -0.037 0.000 1.288 695 I HN 0.500 nan 8.210 nan 0.000 0.444 696 S N 4.094 119.803 115.700 0.015 0.000 2.532 696 S HA 0.378 4.848 4.470 -0.000 0.000 0.299 696 S C -0.339 174.299 174.600 0.064 0.000 1.105 696 S CA -0.636 57.588 58.200 0.040 0.000 1.018 696 S CB 1.250 64.479 63.200 0.049 0.000 1.021 696 S HN 0.565 nan 8.310 nan 0.000 0.483 697 D N 3.107 123.565 120.400 0.098 0.000 2.424 697 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 697 D C 0.183 176.681 176.300 0.331 0.000 1.150 697 D CA 0.002 54.124 54.000 0.203 0.000 0.831 697 D CB 0.420 41.306 40.800 0.142 0.000 0.981 697 D HN 0.441 nan 8.370 nan 0.000 0.500 698 R N 0.258 120.876 120.500 0.197 0.000 2.490 698 R HA 0.311 4.651 4.340 -0.000 0.000 0.278 698 R C 1.584 177.916 176.300 0.054 0.000 1.069 698 R CA -0.365 55.826 56.100 0.151 0.000 1.080 698 R CB 1.412 31.761 30.300 0.081 0.000 1.030 698 R HN -0.026 nan 8.270 nan 0.000 0.491 699 L N 1.070 122.232 121.223 -0.101 0.000 2.376 699 L HA -0.070 4.270 4.340 -0.000 0.000 0.219 699 L C 0.476 177.259 176.870 -0.144 0.000 1.133 699 L CA 0.769 55.441 54.840 -0.280 0.000 0.816 699 L CB -0.425 41.360 42.059 -0.458 0.000 0.933 699 L HN 0.702 nan 8.230 nan 0.000 0.449 700 D N -1.569 118.788 120.400 -0.070 0.000 2.350 700 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 700 D C -0.240 176.053 176.300 -0.012 0.000 1.036 700 D CA -0.482 53.494 54.000 -0.041 0.000 0.848 700 D CB 1.217 41.999 40.800 -0.031 0.000 1.307 700 D HN -0.289 nan 8.370 nan 0.000 0.469 701 T N 1.599 116.148 114.554 -0.008 0.000 2.926 701 T HA 0.216 4.566 4.350 -0.000 0.000 0.307 701 T C 0.465 175.172 174.700 0.011 0.000 1.059 701 T CA -0.081 62.022 62.100 0.005 0.000 1.122 701 T CB 0.309 69.179 68.868 0.003 0.000 0.972 701 T HN 0.273 nan 8.240 nan 0.000 0.545 702 M N 3.088 122.699 119.600 0.018 0.000 2.205 702 M HA 0.351 4.831 4.480 -0.000 0.000 0.344 702 M C -0.038 176.274 176.300 0.021 0.000 1.085 702 M CA -0.425 54.888 55.300 0.023 0.000 1.001 702 M CB 1.503 34.120 32.600 0.029 0.000 1.626 702 M HN 0.585 nan 8.290 nan 0.000 0.442 703 E N 1.711 121.924 120.200 0.021 0.000 2.244 703 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 703 E C -0.921 175.695 176.600 0.026 0.000 0.914 703 E CA -0.812 55.600 56.400 0.021 0.000 0.794 703 E CB 1.473 31.182 29.700 0.015 0.000 1.210 703 E HN 0.516 nan 8.360 nan 0.000 0.414 704 Q N 1.284 121.101 119.800 0.028 0.000 2.443 704 Q HA -0.207 4.132 4.340 -0.000 0.000 0.337 704 Q C -0.630 175.399 176.000 0.050 0.000 1.401 704 Q CA 0.366 56.192 55.803 0.039 0.000 0.943 704 Q CB -0.907 27.851 28.738 0.033 0.000 1.177 704 Q HN 0.405 nan 8.270 nan 0.000 0.394 705 M N 0.022 119.647 119.600 0.042 0.000 2.444 705 M HA 0.423 4.903 4.480 -0.000 0.000 0.319 705 M C 0.522 176.842 176.300 0.033 0.000 1.183 705 M CA -0.092 55.230 55.300 0.036 0.000 1.032 705 M CB 1.493 34.104 32.600 0.019 0.000 1.569 705 M HN 0.013 nan 8.290 nan 0.000 0.468 706 T N 2.434 116.994 114.554 0.011 0.000 2.807 706 T HA 0.577 4.927 4.350 -0.000 0.000 0.279 706 T C -0.856 173.781 174.700 -0.106 0.000 0.993 706 T CA -0.563 61.496 62.100 -0.068 0.000 0.970 706 T CB 1.565 70.404 68.868 -0.049 0.000 0.950 706 T HN 0.487 nan 8.240 nan 0.000 0.441 707 L N 3.342 124.472 121.223 -0.155 0.000 2.275 707 L HA 0.612 4.952 4.340 -0.000 0.000 0.288 707 L C -0.107 176.639 176.870 -0.206 0.000 1.046 707 L CA -0.107 54.641 54.840 -0.152 0.000 0.805 707 L CB 0.855 42.830 42.059 -0.141 0.000 1.193 707 L HN 0.697 nan 8.230 nan 0.000 0.426 708 E N 5.637 125.742 120.200 -0.158 0.000 2.246 708 E HA 0.521 4.871 4.350 -0.000 0.000 0.266 708 E C -1.613 174.921 176.600 -0.110 0.000 0.880 708 E CA -0.608 55.704 56.400 -0.147 0.000 0.762 708 E CB 1.317 30.955 29.700 -0.103 0.000 1.180 708 E HN 0.729 nan 8.360 nan 0.000 0.416 709 M N 3.553 123.081 119.600 -0.121 0.000 2.535 709 M HA 0.468 4.948 4.480 -0.000 0.000 0.314 709 M C -1.115 175.185 176.300 0.001 0.000 1.153 709 M CA -0.758 54.507 55.300 -0.059 0.000 0.924 709 M CB 2.302 34.843 32.600 -0.099 0.000 1.710 709 M HN 0.393 nan 8.290 nan 0.000 0.451 710 K N 0.324 120.753 120.400 0.050 0.000 2.523 710 K HA 0.696 5.016 4.320 -0.000 0.000 0.257 710 K C -1.619 175.020 176.600 0.064 0.000 0.932 710 K CA -1.012 55.314 56.287 0.066 0.000 0.812 710 K CB 1.568 34.084 32.500 0.027 0.000 1.326 710 K HN 0.396 nan 8.250 nan 0.000 0.433 711 V N 2.325 122.285 119.914 0.078 0.000 2.555 711 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 711 V C -0.332 175.658 176.094 -0.173 0.000 1.044 711 V CA -0.500 61.789 62.300 -0.018 0.000 1.026 711 V CB 1.044 32.862 31.823 -0.008 0.000 0.981 711 V HN 0.575 nan 8.190 nan 0.000 0.480 712 V N 4.035 123.688 119.914 -0.435 0.000 2.709 712 V HA 0.425 4.545 4.120 -0.000 0.000 0.308 712 V C -0.518 175.212 176.094 -0.608 0.000 1.062 712 V CA -0.947 61.022 62.300 -0.551 0.000 0.901 712 V CB 2.169 33.558 31.823 -0.723 0.000 1.003 712 V HN 1.062 nan 8.190 nan 0.000 0.425 713 D N 2.227 122.464 120.400 -0.272 0.000 2.423 713 D HA 0.281 4.921 4.640 -0.000 0.000 0.255 713 D C 0.647 177.049 176.300 0.170 0.000 1.174 713 D CA -0.597 53.326 54.000 -0.128 0.000 1.008 713 D CB 0.511 41.240 40.800 -0.118 0.000 1.101 713 D HN 0.225 nan 8.370 nan 0.000 0.516 714 F N -0.566 119.424 119.950 0.067 0.000 2.583 714 F HA 0.002 4.529 4.527 -0.000 0.000 0.297 714 F C 1.291 177.158 175.800 0.112 0.000 1.131 714 F CA 0.422 58.527 58.000 0.174 0.000 1.467 714 F CB -0.604 38.494 39.000 0.164 0.000 1.097 714 F HN 0.361 nan 8.300 nan 0.000 0.586 715 D N -1.277 119.261 120.400 0.231 0.000 2.398 715 D HA 0.219 4.859 4.640 -0.000 0.000 0.210 715 D C 2.052 178.412 176.300 0.099 0.000 1.094 715 D CA 0.941 55.021 54.000 0.133 0.000 0.839 715 D CB 0.797 41.650 40.800 0.089 0.000 0.963 715 D HN 0.317 nan 8.370 nan 0.000 0.506 716 G N 1.703 110.564 108.800 0.101 0.000 2.184 716 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.206 716 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.206 716 G C 0.418 175.336 174.900 0.031 0.000 0.995 716 G CA -0.194 44.955 45.100 0.080 0.000 0.651 716 G HN 0.264 nan 8.290 nan 0.000 0.511 717 K N 1.724 122.127 120.400 0.006 0.000 2.258 717 K HA 0.496 4.816 4.320 -0.000 0.000 0.284 717 K C 0.081 176.649 176.600 -0.052 0.000 1.051 717 K CA -0.163 56.116 56.287 -0.014 0.000 0.923 717 K CB 0.377 32.873 32.500 -0.008 0.000 1.046 717 K HN 0.048 nan 8.250 nan 0.000 0.474 718 T N 5.080 119.611 114.554 -0.038 0.000 2.916 718 T HA 0.146 4.496 4.350 -0.000 0.000 0.303 718 T C 0.097 174.773 174.700 -0.040 0.000 1.025 718 T CA -0.081 61.992 62.100 -0.045 0.000 1.142 718 T CB 0.167 69.026 68.868 -0.016 0.000 0.947 718 T HN 0.413 nan 8.240 nan 0.000 0.544 719 L N 3.243 124.438 121.223 -0.047 0.000 2.313 719 L HA 0.628 4.968 4.340 -0.000 0.000 0.283 719 L C 1.131 178.011 176.870 0.016 0.000 1.013 719 L CA -0.720 54.100 54.840 -0.033 0.000 0.816 719 L CB 0.888 42.902 42.059 -0.075 0.000 1.236 719 L HN 0.964 nan 8.230 nan 0.000 0.419 720 G N 1.638 110.454 108.800 0.027 0.000 2.645 720 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.246 720 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.246 720 G C -0.319 174.607 174.900 0.044 0.000 1.322 720 G CA -0.011 45.121 45.100 0.054 0.000 0.898 720 G HN 0.851 nan 8.290 nan 0.000 0.573 721 K N 0.131 120.558 120.400 0.045 0.000 2.095 721 K HA 0.747 5.067 4.320 -0.000 0.000 0.252 721 K C 0.689 177.304 176.600 0.026 0.000 0.977 721 K CA 0.231 56.534 56.287 0.026 0.000 0.900 721 K CB 0.490 nan 32.500 nan 0.000 1.060 721 K HN 0.867 nan 8.250 nan 0.000 0.449 722 K N 0.658 121.065 120.400 0.012 0.000 2.485 722 K HA 0.177 4.496 4.320 -0.000 0.000 0.277 722 K C -0.242 176.339 176.600 -0.031 0.000 0.990 722 K CA 0.332 56.616 56.287 -0.005 0.000 0.994 722 K CB 0.041 32.535 32.500 -0.009 0.000 0.906 722 K HN 0.536 nan 8.250 nan 0.000 0.488 723 I N 2.609 123.137 120.570 -0.071 0.000 2.412 723 I HA 0.173 4.343 4.170 -0.000 0.000 0.296 723 I C -0.011 176.001 176.117 -0.175 0.000 0.987 723 I CA -0.560 60.660 61.300 -0.134 0.000 1.180 723 I CB 1.464 39.328 38.000 -0.228 0.000 1.340 723 I HN 0.402 nan 8.210 nan 0.000 0.455 724 Q N 5.004 124.703 119.800 -0.169 0.000 2.331 724 Q HA 0.617 4.957 4.340 -0.000 0.000 0.272 724 Q C -1.527 174.318 176.000 -0.259 0.000 1.062 724 Q CA -0.839 54.809 55.803 -0.258 0.000 0.806 724 Q CB 3.537 32.128 28.738 -0.245 0.000 1.312 724 Q HN 0.411 nan 8.270 nan 0.000 0.431 725 V N 2.743 122.453 119.914 -0.340 0.000 2.398 725 V HA 0.304 4.424 4.120 -0.000 0.000 0.282 725 V C -0.539 175.417 176.094 -0.230 0.000 1.014 725 V CA -0.795 61.392 62.300 -0.188 0.000 0.838 725 V CB 0.986 32.752 31.823 -0.095 0.000 1.018 725 V HN 0.710 nan 8.190 nan 0.000 0.432 726 H N 2.045 121.109 119.070 -0.011 0.000 2.517 726 H HA 0.500 5.056 4.556 -0.000 0.000 0.346 726 H C 0.821 176.146 175.328 -0.005 0.000 1.222 726 H CA 0.187 56.230 56.048 -0.009 0.000 1.314 726 H CB 1.914 31.671 29.762 -0.008 0.000 1.609 726 H HN 0.715 nan 8.280 nan 0.000 0.571 727 S N 0.151 115.939 115.700 0.148 0.000 3.695 727 S HA -0.152 4.318 4.470 -0.000 0.000 0.310 727 S C 0.099 174.726 174.600 0.044 0.000 1.166 727 S CA 0.029 58.274 58.200 0.076 0.000 0.882 727 S CB -1.714 61.524 63.200 0.062 0.000 0.949 727 S HN 0.382 nan 8.310 nan 0.000 0.540 728 L N 1.368 122.613 121.223 0.036 0.000 2.305 728 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 728 L C 0.680 177.561 176.870 0.018 0.000 1.085 728 L CA 0.026 54.876 54.840 0.017 0.000 0.813 728 L CB 0.901 42.961 42.059 0.002 0.000 1.157 728 L HN 0.249 nan 8.230 nan 0.000 0.436 729 E N 2.409 122.617 120.200 0.014 0.000 2.156 729 E HA 0.334 4.684 4.350 -0.000 0.000 0.279 729 E C -1.271 175.337 176.600 0.014 0.000 0.965 729 E CA -0.643 55.766 56.400 0.014 0.000 0.789 729 E CB 1.752 31.459 29.700 0.013 0.000 1.098 729 E HN 0.309 nan 8.360 nan 0.000 0.397 730 V N 7.053 126.978 119.914 0.017 0.000 2.259 730 V HA 0.249 4.369 4.120 -0.000 0.000 0.267 730 V C -2.226 173.882 176.094 0.023 0.000 1.051 730 V CA -1.831 60.481 62.300 0.021 0.000 0.830 730 V CB 0.317 32.154 31.823 0.024 0.000 1.080 730 V HN 0.641 nan 8.190 nan 0.000 0.467 731 P HA 0.180 nan 4.420 nan 0.000 0.269 731 P C 0.067 177.384 177.300 0.029 0.000 1.215 731 P CA 0.001 63.115 63.100 0.023 0.000 0.780 731 P CB 0.618 32.332 31.700 0.023 0.000 0.898 732 A N 2.854 125.687 122.820 0.021 0.000 2.546 732 A HA 0.073 4.392 4.320 -0.000 0.000 0.243 732 A C 0.660 178.274 177.584 0.051 0.000 1.063 732 A CA 0.100 52.151 52.037 0.023 0.000 0.757 732 A CB -1.048 17.942 19.000 -0.016 0.000 0.991 732 A HN 0.719 nan 8.150 nan 0.000 0.503 733 N N -0.019 118.737 118.700 0.093 0.000 2.756 733 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 733 N C -0.015 175.549 175.510 0.091 0.000 1.062 733 N CA 1.645 54.775 53.050 0.133 0.000 0.696 733 N CB -1.491 37.102 38.487 0.176 0.000 0.946 733 N HN 1.323 nan 8.380 nan 0.000 0.548 734 T N -4.197 110.395 114.554 0.063 0.000 2.843 734 T HA 0.631 4.981 4.350 -0.000 0.000 0.302 734 T C -0.477 174.247 174.700 0.041 0.000 1.232 734 T CA -0.625 61.507 62.100 0.053 0.000 1.009 734 T CB 2.514 71.414 68.868 0.054 0.000 1.254 734 T HN 0.097 nan 8.240 nan 0.000 0.504 735 S N 1.058 116.792 115.700 0.057 0.000 2.498 735 S HA 0.642 5.112 4.470 -0.000 0.000 0.317 735 S C -1.129 173.571 174.600 0.166 0.000 1.090 735 S CA -0.779 57.478 58.200 0.096 0.000 1.089 735 S CB 0.201 63.433 63.200 0.054 0.000 0.997 735 S HN 0.677 nan 8.310 nan 0.000 0.470 736 K N 3.111 123.604 120.400 0.154 0.000 2.378 736 K HA 0.342 4.662 4.320 -0.000 0.000 0.252 736 K C -0.863 175.669 176.600 -0.114 0.000 0.931 736 K CA -0.578 55.746 56.287 0.062 0.000 0.794 736 K CB 1.540 34.048 32.500 0.012 0.000 1.181 736 K HN 0.717 nan 8.250 nan 0.000 0.425 737 C N 3.336 122.370 119.300 -0.445 0.000 2.629 737 C HA 0.208 4.668 4.460 -0.000 0.000 0.410 737 C C 1.631 176.418 174.990 -0.337 0.000 1.339 737 C CA -0.257 58.258 59.018 -0.837 0.000 1.810 737 C CB -1.235 25.953 27.740 -0.921 0.000 2.549 737 C HN 0.647 nan 8.230 nan 0.000 0.589 738 V N 3.613 123.391 119.914 -0.226 0.000 3.432 738 V HA 0.415 4.534 4.120 -0.000 0.000 0.298 738 V C -0.293 175.814 176.094 0.022 0.000 1.464 738 V CA -0.062 62.190 62.300 -0.080 0.000 1.046 738 V CB -0.812 30.987 31.823 -0.040 0.000 0.887 738 V HN 0.830 nan 8.190 nan 0.000 0.441 739 Y N 0.503 120.699 120.300 -0.174 0.000 2.424 739 Y HA 0.688 5.238 4.550 -0.000 0.000 0.323 739 Y C -0.876 174.951 175.900 -0.122 0.000 1.174 739 Y CA -0.999 57.021 58.100 -0.133 0.000 1.060 739 Y CB 1.480 39.873 38.460 -0.111 0.000 1.314 739 Y HN 0.212 nan 8.280 nan 0.000 0.439 740 R N 4.383 124.484 120.500 -0.665 0.000 2.533 740 R HA 0.912 5.252 4.340 -0.000 0.000 0.288 740 R C -2.053 173.876 176.300 -0.618 0.000 1.039 740 R CA -0.627 55.202 56.100 -0.452 0.000 0.909 740 R CB 1.550 31.706 30.300 -0.240 0.000 1.195 740 R HN 0.819 nan 8.270 nan 0.000 0.438 741 A N 3.994 126.614 122.820 -0.333 0.000 2.517 741 A HA 0.409 4.729 4.320 -0.000 0.000 0.297 741 A C -1.269 176.364 177.584 0.083 0.000 1.050 741 A CA -0.862 51.053 52.037 -0.204 0.000 0.694 741 A CB 1.554 20.351 19.000 -0.338 0.000 1.277 741 A HN 0.688 nan 8.150 nan 0.000 0.400 742 K N 1.346 121.796 120.400 0.083 0.000 2.295 742 K HA 0.288 4.608 4.320 -0.000 0.000 0.270 742 K C 0.622 177.403 176.600 0.301 0.000 1.011 742 K CA -0.256 56.122 56.287 0.151 0.000 0.953 742 K CB 0.621 33.172 32.500 0.085 0.000 0.956 742 K HN 0.647 nan 8.250 nan 0.000 0.477 743 L N 1.013 122.378 121.223 0.237 0.000 2.240 743 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 743 L C 0.544 177.472 176.870 0.096 0.000 1.106 743 L CA 0.550 55.485 54.840 0.158 0.000 0.793 743 L CB -0.226 41.835 42.059 0.003 0.000 0.927 743 L HN 0.701 nan 8.230 nan 0.000 0.446 744 D N 0.275 120.728 120.400 0.087 0.000 2.382 744 D HA 0.297 4.937 4.640 -0.000 0.000 0.259 744 D C 1.028 177.379 176.300 0.085 0.000 1.224 744 D CA 1.133 55.168 54.000 0.057 0.000 0.894 744 D CB 0.500 41.324 40.800 0.039 0.000 1.127 744 D HN 0.312 nan 8.370 nan 0.000 0.487 745 G N 3.226 112.070 108.800 0.074 0.000 2.157 745 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.239 745 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.239 745 G C 0.386 175.387 174.900 0.169 0.000 0.982 745 G CA 0.316 45.467 45.100 0.086 0.000 0.650 745 G HN 0.570 nan 8.290 nan 0.000 0.527 746 W N 0.171 121.440 121.300 -0.051 0.000 3.875 746 W HA 0.646 5.306 4.660 -0.000 0.000 0.221 746 W C 0.171 176.628 176.519 -0.102 0.000 0.947 746 W CA 0.451 57.761 57.345 -0.058 0.000 2.039 746 W CB 0.177 29.613 29.460 -0.039 0.000 0.954 746 W HN 0.123 nan 8.180 nan 0.000 0.792 747 L N 2.000 123.066 121.223 -0.262 0.000 2.381 747 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 747 L C 0.564 177.268 176.870 -0.276 0.000 0.997 747 L CA -0.808 53.753 54.840 -0.465 0.000 0.818 747 L CB 2.046 43.552 42.059 -0.922 0.000 1.310 747 L HN -0.103 nan 8.230 nan 0.000 0.416 748 T N -1.860 112.559 114.554 -0.225 0.000 2.882 748 T HA 0.299 4.649 4.350 -0.000 0.000 0.287 748 T C -2.009 172.590 174.700 -0.169 0.000 1.014 748 T CA -1.707 60.301 62.100 -0.153 0.000 1.049 748 T CB 1.315 70.115 68.868 -0.113 0.000 1.001 748 T HN 0.323 nan 8.240 nan 0.000 0.525 749 P HA -0.017 nan 4.420 nan 0.000 0.218 749 P C 1.732 178.973 177.300 -0.097 0.000 1.146 749 P CA 1.813 64.856 63.100 -0.094 0.000 0.813 749 P CB -0.241 31.424 31.700 -0.058 0.000 0.778 750 E N 0.321 120.460 120.200 -0.102 0.000 2.047 750 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 750 E C 1.730 178.240 176.600 -0.149 0.000 0.987 750 E CA 1.633 57.971 56.400 -0.104 0.000 0.799 750 E CB -1.685 27.962 29.700 -0.089 0.000 0.752 750 E HN 0.272 nan 8.360 nan 0.000 0.449 751 D N -0.210 120.077 120.400 -0.188 0.000 2.178 751 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 751 D C 2.067 178.207 176.300 -0.267 0.000 0.980 751 D CA 1.309 55.158 54.000 -0.252 0.000 0.842 751 D CB -0.644 39.970 40.800 -0.311 0.000 0.948 751 D HN 0.537 nan 8.370 nan 0.000 0.472 752 C N 0.590 119.745 119.300 -0.242 0.000 2.432 752 C HA -0.029 4.431 4.460 -0.000 0.000 0.280 752 C C 2.316 177.332 174.990 0.044 0.000 1.353 752 C CA 0.294 59.240 59.018 -0.119 0.000 1.766 752 C CB -0.745 26.929 27.740 -0.109 0.000 1.924 752 C HN 0.340 nan 8.230 nan 0.000 0.509 753 R N -0.066 120.407 120.500 -0.044 0.000 2.300 753 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 753 R C 1.580 177.759 176.300 -0.202 0.000 0.920 753 R CA 0.355 56.446 56.100 -0.014 0.000 1.046 753 R CB 0.009 30.298 30.300 -0.018 0.000 0.984 753 R HN 0.515 nan 8.270 nan 0.000 0.493 754 R N 0.258 120.485 120.500 -0.456 0.000 2.549 754 R HA 0.144 4.484 4.340 -0.000 0.000 0.344 754 R C -0.292 175.218 176.300 -1.316 0.000 0.979 754 R CA 0.078 55.577 56.100 -1.003 0.000 1.140 754 R CB 1.284 31.296 30.300 -0.481 0.000 1.377 754 R HN 0.085 nan 8.270 nan 0.000 0.541 755 S N -0.423 114.872 115.700 -0.675 0.000 2.671 755 S HA 0.689 5.159 4.470 -0.000 0.000 0.277 755 S C -0.820 173.992 174.600 0.355 0.000 1.165 755 S CA -0.959 57.151 58.200 -0.150 0.000 0.822 755 S CB 1.572 64.651 63.200 -0.203 0.000 1.150 755 S HN 0.145 nan 8.310 nan 0.000 0.479 756 F N -0.923 119.128 119.950 0.167 0.000 2.650 756 F HA 0.892 5.419 4.527 -0.000 0.000 0.320 756 F C -1.436 174.309 175.800 -0.092 0.000 1.091 756 F CA -1.474 56.387 58.000 -0.230 0.000 0.962 756 F CB 0.826 39.375 39.000 -0.751 0.000 1.363 756 F HN 0.614 nan 8.300 nan 0.000 0.482 757 L N 2.607 123.808 121.223 -0.037 0.000 2.296 757 L HA 0.502 4.842 4.340 -0.000 0.000 0.286 757 L C -0.775 176.191 176.870 0.160 0.000 1.023 757 L CA -0.461 54.439 54.840 0.100 0.000 0.812 757 L CB 1.268 43.406 42.059 0.131 0.000 1.223 757 L HN 0.608 nan 8.230 nan 0.000 0.421 758 K N 6.552 127.055 120.400 0.172 0.000 2.156 758 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 758 K C -1.399 175.239 176.600 0.063 0.000 0.995 758 K CA -0.672 55.701 56.287 0.143 0.000 0.890 758 K CB 1.562 34.162 32.500 0.166 0.000 1.073 758 K HN 0.474 nan 8.250 nan 0.000 0.454 759 L N 4.404 125.645 121.223 0.030 0.000 2.410 759 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 759 L C -0.398 176.462 176.870 -0.017 0.000 0.983 759 L CA -1.168 53.668 54.840 -0.007 0.000 0.822 759 L CB 1.076 43.127 42.059 -0.013 0.000 1.285 759 L HN 0.630 nan 8.230 nan 0.000 0.409 760 I N 0.977 121.525 120.570 -0.036 0.000 2.934 760 I HA 0.775 4.945 4.170 -0.000 0.000 0.306 760 I C -1.177 174.909 176.117 -0.052 0.000 1.110 760 I CA -0.997 60.279 61.300 -0.040 0.000 1.019 760 I CB 2.277 40.254 38.000 -0.039 0.000 1.227 760 I HN 0.414 nan 8.210 nan 0.000 0.434 761 L N 3.616 124.809 121.223 -0.050 0.000 2.356 761 L HA 0.684 5.024 4.340 -0.000 0.000 0.277 761 L C -1.046 175.796 176.870 -0.046 0.000 0.996 761 L CA -0.107 54.706 54.840 -0.045 0.000 0.822 761 L CB 1.443 43.484 42.059 -0.029 0.000 1.256 761 L HN 0.701 nan 8.230 nan 0.000 0.413 762 K N 2.726 123.108 120.400 -0.031 0.000 2.316 762 K HA 0.470 4.789 4.320 -0.000 0.000 0.251 762 K C -1.140 175.477 176.600 0.029 0.000 0.934 762 K CA -0.949 55.331 56.287 -0.011 0.000 0.802 762 K CB 1.730 34.230 32.500 -0.001 0.000 1.171 762 K HN 0.730 nan 8.250 nan 0.000 0.426 763 D N 1.213 121.652 120.400 0.065 0.000 2.384 763 D HA 0.074 4.714 4.640 -0.000 0.000 0.244 763 D C 1.278 177.621 176.300 0.072 0.000 1.251 763 D CA -0.283 53.764 54.000 0.078 0.000 0.961 763 D CB 0.389 41.252 40.800 0.105 0.000 1.116 763 D HN 0.445 nan 8.370 nan 0.000 0.484 764 K N 0.159 120.595 120.400 0.060 0.000 2.089 764 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 764 K C 2.092 178.721 176.600 0.050 0.000 1.048 764 K CA 2.558 58.875 56.287 0.051 0.000 0.926 764 K CB -1.735 nan 32.500 nan 0.000 0.714 764 K HN 0.664 nan 8.250 nan 0.000 0.448 765 S N -1.191 114.541 115.700 0.053 0.000 2.603 765 S HA 0.300 4.770 4.470 -0.000 0.000 0.229 765 S C 1.773 176.415 174.600 0.069 0.000 0.972 765 S CA 1.024 59.255 58.200 0.052 0.000 0.935 765 S CB -0.587 62.639 63.200 0.042 0.000 0.769 765 S HN 1.856 nan 8.310 nan 0.000 0.536 766 G N 0.580 109.427 108.800 0.079 0.000 2.148 766 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 766 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 766 G C -0.056 174.899 174.900 0.092 0.000 0.981 766 G CA 0.406 45.551 45.100 0.074 0.000 0.670 766 G HN 0.978 nan 8.290 nan 0.000 0.528 767 H N 0.700 119.779 119.070 0.015 0.000 2.690 767 H HA 0.539 5.095 4.556 -0.000 0.000 0.314 767 H C 0.615 175.949 175.328 0.011 0.000 1.069 767 H CA 0.265 56.320 56.048 0.012 0.000 1.436 767 H CB 0.691 30.460 29.762 0.011 0.000 1.462 767 H HN 0.440 nan 8.280 nan 0.000 0.511 768 Q N 4.134 123.667 119.800 -0.445 0.000 2.313 768 Q HA 0.143 4.483 4.340 -0.000 0.000 0.266 768 Q C -0.564 175.145 176.000 -0.485 0.000 0.989 768 Q CA -0.266 55.324 55.803 -0.354 0.000 0.890 768 Q CB 0.893 29.502 28.738 -0.214 0.000 1.200 768 Q HN 0.715 nan 8.270 nan 0.000 0.396 769 V N 2.730 122.517 119.914 -0.211 0.000 3.484 769 V HA 0.431 4.551 4.120 -0.000 0.000 0.252 769 V C -0.135 175.930 176.094 -0.049 0.000 1.282 769 V CA 0.851 63.093 62.300 -0.096 0.000 1.104 769 V CB 0.948 32.769 31.823 -0.003 0.000 0.868 769 V HN 0.829 nan 8.190 nan 0.000 0.457 770 A N 0.545 123.332 122.820 -0.054 0.000 2.605 770 A HA 0.759 5.079 4.320 -0.000 0.000 0.294 770 A C -1.209 176.354 177.584 -0.036 0.000 1.062 770 A CA -0.497 51.522 52.037 -0.030 0.000 0.682 770 A CB 1.496 20.491 19.000 -0.009 0.000 1.278 770 A HN 0.282 nan 8.150 nan 0.000 0.410 771 E N 0.355 120.539 120.200 -0.026 0.000 2.393 771 E HA 0.854 5.204 4.350 -0.000 0.000 0.273 771 E C -1.096 175.497 176.600 -0.012 0.000 0.918 771 E CA -0.804 55.583 56.400 -0.022 0.000 0.773 771 E CB 2.158 31.841 29.700 -0.027 0.000 1.275 771 E HN 0.437 nan 8.360 nan 0.000 0.451 772 S N 0.195 115.891 115.700 -0.007 0.000 2.607 772 S HA 0.554 5.024 4.470 -0.000 0.000 0.273 772 S C -1.319 173.279 174.600 -0.003 0.000 1.148 772 S CA -0.688 57.512 58.200 -0.000 0.000 0.833 772 S CB 1.984 65.190 63.200 0.010 0.000 1.130 772 S HN 0.421 nan 8.310 nan 0.000 0.470 773 V N 1.876 121.781 119.914 -0.015 0.000 2.735 773 V HA 0.549 4.669 4.120 -0.000 0.000 0.310 773 V C -1.126 174.933 176.094 -0.058 0.000 1.061 773 V CA -0.604 61.650 62.300 -0.076 0.000 0.913 773 V CB 1.782 33.496 31.823 -0.181 0.000 1.005 773 V HN 0.962 nan 8.190 nan 0.000 0.428 774 H N 3.383 122.276 119.070 -0.295 0.000 2.689 774 H HA 0.645 5.201 4.556 -0.000 0.000 0.346 774 H C -1.525 173.383 175.328 -0.701 0.000 1.037 774 H CA -0.531 55.312 56.048 -0.341 0.000 1.234 774 H CB 1.164 30.762 29.762 -0.274 0.000 1.572 774 H HN 0.432 nan 8.280 nan 0.000 0.524 775 F N 4.823 124.330 119.950 -0.739 0.000 2.394 775 F HA 0.210 4.737 4.527 -0.000 0.000 0.340 775 F C 0.286 175.559 175.800 -0.877 0.000 1.105 775 F CA -0.473 57.175 58.000 -0.587 0.000 1.124 775 F CB 0.731 39.590 39.000 -0.235 0.000 1.145 775 F HN 0.592 nan 8.300 nan 0.000 0.505 776 F N 0.821 120.707 119.950 -0.107 0.000 2.754 776 F HA 0.243 4.769 4.527 -0.000 0.000 0.297 776 F C 0.917 176.712 175.800 -0.008 0.000 1.122 776 F CA 0.148 58.113 58.000 -0.059 0.000 1.400 776 F CB -0.066 38.913 39.000 -0.035 0.000 1.117 776 F HN 0.154 nan 8.300 nan 0.000 0.587 777 R N 0.304 120.900 120.500 0.161 0.000 2.837 777 R HA 0.351 4.691 4.340 -0.000 0.000 0.271 777 R C -0.338 175.963 176.300 0.002 0.000 0.993 777 R CA -1.067 55.084 56.100 0.085 0.000 0.931 777 R CB 1.343 31.701 30.300 0.098 0.000 1.206 777 R HN 0.001 nan 8.270 nan 0.000 0.474 778 K N 0.466 120.827 120.400 -0.066 0.000 2.485 778 K HA 0.016 4.335 4.320 -0.000 0.000 0.277 778 K C 0.911 177.387 176.600 -0.206 0.000 0.990 778 K CA 0.281 56.463 56.287 -0.174 0.000 0.994 778 K CB 0.460 32.845 32.500 -0.191 0.000 0.906 778 K HN 0.446 nan 8.250 nan 0.000 0.488 779 T N 2.579 116.922 114.554 -0.352 0.000 2.737 779 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 779 T C 1.632 176.201 174.700 -0.217 0.000 1.040 779 T CA 1.901 63.807 62.100 -0.323 0.000 1.142 779 T CB -0.134 68.481 68.868 -0.423 0.000 0.861 779 T HN 0.656 nan 8.240 nan 0.000 0.456 780 K N 1.024 121.256 120.400 -0.281 0.000 2.281 780 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 780 K C 1.154 177.673 176.600 -0.135 0.000 1.046 780 K CA 1.637 57.803 56.287 -0.202 0.000 0.938 780 K CB -0.034 32.350 32.500 -0.194 0.000 0.737 780 K HN 0.187 nan 8.250 nan 0.000 0.458 781 D N 0.763 121.106 120.400 -0.096 0.000 2.339 781 D HA 0.128 4.767 4.640 -0.000 0.000 0.217 781 D C 0.234 176.554 176.300 0.033 0.000 1.050 781 D CA 0.160 54.139 54.000 -0.035 0.000 0.856 781 D CB 0.208 40.987 40.800 -0.033 0.000 0.922 781 D HN 0.191 nan 8.370 nan 0.000 0.518 782 L N 1.279 122.543 121.223 0.069 0.000 2.349 782 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 782 L C 0.747 177.768 176.870 0.252 0.000 1.115 782 L CA -0.226 54.746 54.840 0.220 0.000 0.820 782 L CB 0.905 43.114 42.059 0.250 0.000 1.135 782 L HN -0.306 nan 8.230 nan 0.000 0.445 783 Q N 4.620 124.601 119.800 0.302 0.000 2.844 783 Q HA 0.288 4.628 4.340 -0.000 0.000 0.235 783 Q C -0.734 175.529 176.000 0.437 0.000 1.336 783 Q CA -0.171 55.788 55.803 0.261 0.000 1.026 783 Q CB 0.246 29.058 28.738 0.124 0.000 1.513 783 Q HN 0.515 nan 8.270 nan 0.000 0.577 784 L N 4.367 125.808 121.223 0.362 0.000 2.410 784 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 784 L C -1.708 175.289 176.870 0.211 0.000 1.152 784 L CA -1.583 53.412 54.840 0.259 0.000 0.855 784 L CB 0.053 42.212 42.059 0.167 0.000 1.129 784 L HN 0.222 nan 8.230 nan 0.000 0.463 785 P HA 0.194 nan 4.420 nan 0.000 0.276 785 P C -2.525 174.820 177.300 0.076 0.000 1.244 785 P CA -1.793 61.387 63.100 0.134 0.000 0.801 785 P CB 0.206 31.990 31.700 0.140 0.000 1.006 786 P HA 0.037 nan 4.420 nan 0.000 0.230 786 P C 0.275 177.597 177.300 0.038 0.000 1.791 786 P CA 0.123 63.245 63.100 0.038 0.000 1.020 786 P CB -0.643 31.068 31.700 0.020 0.000 1.977 787 T N 0.657 115.229 114.554 0.031 0.000 2.926 787 T HA 0.077 4.427 4.350 -0.000 0.000 0.307 787 T C 0.110 174.797 174.700 -0.021 0.000 1.059 787 T CA 0.212 62.291 62.100 -0.035 0.000 1.122 787 T CB 0.050 68.823 68.868 -0.159 0.000 0.972 787 T HN 0.111 nan 8.240 nan 0.000 0.545 788 S N 3.254 118.939 115.700 -0.026 0.000 2.422 788 S HA 0.488 4.958 4.470 -0.000 0.000 0.298 788 S C -0.620 173.963 174.600 -0.028 0.000 1.118 788 S CA -0.774 57.425 58.200 -0.001 0.000 1.083 788 S CB 0.178 63.393 63.200 0.025 0.000 0.971 788 S HN 0.582 nan 8.310 nan 0.000 0.478 789 V N 6.045 125.949 119.914 -0.017 0.000 2.347 789 V HA 0.494 4.614 4.120 -0.000 0.000 0.280 789 V C 0.124 176.264 176.094 0.077 0.000 1.021 789 V CA -0.533 61.757 62.300 -0.017 0.000 0.847 789 V CB 1.264 33.037 31.823 -0.084 0.000 0.990 789 V HN 0.958 nan 8.190 nan 0.000 0.444 790 S N 5.273 121.043 115.700 0.117 0.000 2.578 790 S HA 0.892 5.362 4.470 -0.000 0.000 0.301 790 S C -0.959 173.767 174.600 0.210 0.000 1.091 790 S CA -0.714 57.562 58.200 0.126 0.000 1.032 790 S CB 1.854 65.103 63.200 0.083 0.000 1.064 790 S HN 0.792 nan 8.310 nan 0.000 0.508 791 Y N -2.073 118.242 120.300 0.025 0.000 2.534 791 Y HA 0.805 5.355 4.550 -0.000 0.000 0.345 791 Y C -0.597 175.307 175.900 0.006 0.000 1.031 791 Y CA -1.272 56.841 58.100 0.021 0.000 1.022 791 Y CB 0.548 39.010 38.460 0.003 0.000 1.292 791 Y HN 0.858 nan 8.280 nan 0.000 0.459 792 Q N 3.602 123.446 119.800 0.073 0.000 2.274 792 Q HA 0.742 5.082 4.340 -0.000 0.000 0.260 792 Q C -1.439 174.638 176.000 0.129 0.000 0.974 792 Q CA -0.865 54.937 55.803 -0.001 0.000 0.876 792 Q CB 2.344 31.077 28.738 -0.009 0.000 1.297 792 Q HN 0.947 nan 8.270 nan 0.000 0.446 793 M N 2.094 121.749 119.600 0.093 0.000 2.134 793 M HA 0.413 4.893 4.480 -0.000 0.000 0.310 793 M C -0.796 175.532 176.300 0.046 0.000 0.966 793 M CA -0.497 54.875 55.300 0.120 0.000 0.922 793 M CB 1.362 34.080 32.600 0.196 0.000 1.537 793 M HN 0.657 nan 8.290 nan 0.000 0.424 794 K N 4.294 124.712 120.400 0.030 0.000 2.206 794 K HA 0.185 4.505 4.320 -0.000 0.000 0.268 794 K C -0.629 175.972 176.600 0.001 0.000 1.111 794 K CA -0.155 56.137 56.287 0.009 0.000 0.955 794 K CB 0.594 33.097 32.500 0.004 0.000 1.406 794 K HN 0.730 nan 8.250 nan 0.000 0.427 795 Q N 3.653 123.453 119.800 -0.001 0.000 2.490 795 Q HA 0.052 4.392 4.340 -0.000 0.000 0.226 795 Q C -0.400 175.591 176.000 -0.014 0.000 1.132 795 Q CA -0.235 55.562 55.803 -0.010 0.000 0.928 795 Q CB 0.893 29.626 28.738 -0.008 0.000 1.299 795 Q HN 0.554 nan 8.270 nan 0.000 0.528 796 T N 1.882 116.425 114.554 -0.017 0.000 2.754 796 T HA 0.090 4.440 4.350 -0.000 0.000 0.286 796 T C -0.338 174.349 174.700 -0.021 0.000 0.997 796 T CA -0.509 61.581 62.100 -0.017 0.000 0.982 796 T CB 0.501 69.359 68.868 -0.017 0.000 1.027 796 T HN 0.781 nan 8.240 nan 0.000 0.529 797 D N -0.730 119.659 120.400 -0.018 0.000 2.210 797 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 797 D C 1.124 177.411 176.300 -0.023 0.000 1.062 797 D CA 0.120 54.108 54.000 -0.020 0.000 0.891 797 D CB 0.509 41.300 40.800 -0.015 0.000 1.186 797 D HN 0.852 nan 8.370 nan 0.000 0.432 798 G N 1.068 109.851 108.800 -0.028 0.000 2.234 798 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 798 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 798 G C 0.269 175.138 174.900 -0.050 0.000 0.987 798 G CA 0.604 45.683 45.100 -0.035 0.000 0.625 798 G HN 0.836 nan 8.290 nan 0.000 0.532 799 K N -0.895 119.474 120.400 -0.051 0.000 2.557 799 K HA 0.596 4.916 4.320 -0.000 0.000 0.261 799 K C -1.186 175.379 176.600 -0.058 0.000 0.932 799 K CA -0.496 55.754 56.287 -0.062 0.000 0.829 799 K CB 1.553 34.024 32.500 -0.048 0.000 1.358 799 K HN 0.217 nan 8.250 nan 0.000 0.430 800 C N 2.544 121.800 119.300 -0.074 0.000 2.408 800 C HA 0.451 4.911 4.460 -0.000 0.000 0.321 800 C C -0.812 174.149 174.990 -0.048 0.000 1.245 800 C CA -0.858 58.128 59.018 -0.053 0.000 1.523 800 C CB 0.971 28.674 27.740 -0.061 0.000 2.178 800 C HN 0.740 nan 8.230 nan 0.000 0.488 801 E N 2.167 122.355 120.200 -0.021 0.000 2.197 801 E HA 0.574 4.924 4.350 -0.000 0.000 0.281 801 E C -1.222 175.390 176.600 0.019 0.000 0.995 801 E CA -0.480 55.915 56.400 -0.008 0.000 0.808 801 E CB 1.431 31.129 29.700 -0.004 0.000 1.093 801 E HN 0.380 nan 8.360 nan 0.000 0.394 802 L N 1.854 123.092 121.223 0.026 0.000 2.346 802 L HA 0.376 4.716 4.340 -0.000 0.000 0.274 802 L C -0.046 176.868 176.870 0.073 0.000 1.007 802 L CA -0.358 54.524 54.840 0.071 0.000 0.818 802 L CB 2.174 44.252 42.059 0.031 0.000 1.284 802 L HN 0.411 nan 8.230 nan 0.000 0.424 803 T N 3.374 117.992 114.554 0.107 0.000 2.807 803 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 803 T C -0.584 174.210 174.700 0.157 0.000 0.993 803 T CA -0.365 61.795 62.100 0.099 0.000 0.970 803 T CB 0.939 69.849 68.868 0.071 0.000 0.950 803 T HN 0.149 nan 8.240 nan 0.000 0.441 804 L N 3.459 124.773 121.223 0.152 0.000 2.331 804 L HA 0.759 5.099 4.340 -0.000 0.000 0.275 804 L C -0.774 176.231 176.870 0.225 0.000 1.022 804 L CA -0.691 54.259 54.840 0.183 0.000 0.812 804 L CB 1.318 43.462 42.059 0.141 0.000 1.257 804 L HN 0.601 nan 8.230 nan 0.000 0.435 805 F N 1.160 121.138 119.950 0.047 0.000 2.591 805 F HA 0.722 5.249 4.527 -0.000 0.000 0.309 805 F C -0.574 175.230 175.800 0.007 0.000 1.098 805 F CA -0.231 57.782 58.000 0.022 0.000 0.937 805 F CB 2.148 41.157 39.000 0.015 0.000 1.250 805 F HN 0.375 nan 8.300 nan 0.000 0.447 806 S N 1.835 117.016 115.700 -0.865 0.000 2.540 806 S HA 0.382 4.852 4.470 -0.000 0.000 0.275 806 S C 0.261 174.280 174.600 -0.968 0.000 1.123 806 S CA -0.006 57.790 58.200 -0.673 0.000 0.907 806 S CB 1.516 64.508 63.200 -0.348 0.000 1.081 806 S HN 0.840 nan 8.310 nan 0.000 0.476 807 S N 3.726 119.161 115.700 -0.442 0.000 2.453 807 S HA 0.195 4.665 4.470 -0.000 0.000 0.231 807 S C 0.647 175.183 174.600 -0.108 0.000 1.005 807 S CA 0.440 58.538 58.200 -0.170 0.000 0.949 807 S CB -0.417 62.833 63.200 0.083 0.000 0.774 807 S HN 0.668 nan 8.310 nan 0.000 0.510 808 M N 0.670 120.197 119.600 -0.121 0.000 2.662 808 M HA 0.482 4.962 4.480 -0.000 0.000 0.310 808 M C -0.946 175.295 176.300 -0.098 0.000 1.204 808 M CA -1.119 54.156 55.300 -0.042 0.000 0.891 808 M CB 1.644 34.248 32.600 0.008 0.000 1.732 808 M HN 0.066 nan 8.290 nan 0.000 0.467 809 L N 2.288 123.486 121.223 -0.041 0.000 2.640 809 L HA 0.230 4.570 4.340 -0.000 0.000 0.280 809 L C -0.410 176.323 176.870 -0.229 0.000 1.229 809 L CA 0.672 55.425 54.840 -0.145 0.000 0.919 809 L CB 0.032 41.931 42.059 -0.267 0.000 1.168 809 L HN 0.750 nan 8.230 nan 0.000 0.496 810 A N 5.225 127.882 122.820 -0.271 0.000 2.303 810 A HA 0.590 4.910 4.320 -0.000 0.000 0.320 810 A C -0.492 176.953 177.584 -0.233 0.000 1.192 810 A CA -0.819 51.002 52.037 -0.360 0.000 0.821 810 A CB 0.771 19.435 19.000 -0.561 0.000 1.188 810 A HN 0.664 nan 8.150 nan 0.000 0.492 811 K N 2.320 122.630 120.400 -0.151 0.000 2.248 811 K HA 0.345 4.665 4.320 -0.000 0.000 0.281 811 K C -0.582 175.988 176.600 -0.051 0.000 1.054 811 K CA 0.035 56.227 56.287 -0.158 0.000 0.903 811 K CB 0.243 32.637 32.500 -0.177 0.000 1.077 811 K HN 0.665 nan 8.250 nan 0.000 0.474 812 D N 3.435 123.781 120.400 -0.089 0.000 2.697 812 D HA -0.212 4.428 4.640 -0.000 0.000 0.238 812 D C -0.229 176.067 176.300 -0.007 0.000 1.152 812 D CA 0.550 54.534 54.000 -0.027 0.000 0.666 812 D CB -0.579 40.220 40.800 -0.002 0.000 1.037 812 D HN 0.448 nan 8.370 nan 0.000 0.423 813 I N 0.594 121.008 120.570 -0.259 0.000 2.752 813 I HA -0.053 4.117 4.170 -0.000 0.000 0.289 813 I C 0.628 176.409 176.117 -0.560 0.000 1.197 813 I CA 0.704 61.749 61.300 -0.424 0.000 1.432 813 I CB -0.074 37.513 38.000 -0.688 0.000 1.359 813 I HN 0.044 nan 8.210 nan 0.000 0.571 814 F N 8.696 128.217 119.950 -0.715 0.000 2.496 814 F HA 0.500 5.027 4.527 -0.000 0.000 0.341 814 F C -0.447 174.901 175.800 -0.752 0.000 1.134 814 F CA -1.488 55.919 58.000 -0.988 0.000 0.968 814 F CB 0.737 39.207 39.000 -0.883 0.000 1.205 814 F HN 0.204 nan 8.300 nan 0.000 0.436 815 I N 5.612 125.658 120.570 -0.873 0.000 2.291 815 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 815 I C -0.143 175.410 176.117 -0.940 0.000 1.064 815 I CA -0.161 60.683 61.300 -0.760 0.000 1.269 815 I CB 0.842 38.611 38.000 -0.385 0.000 1.418 815 I HN 0.581 nan 8.210 nan 0.000 0.485 816 E N 6.133 125.703 120.200 -1.051 0.000 2.166 816 E HA 0.486 4.836 4.350 -0.000 0.000 0.275 816 E C -0.762 175.637 176.600 -0.337 0.000 0.941 816 E CA -0.563 55.288 56.400 -0.915 0.000 0.784 816 E CB 1.361 30.387 29.700 -1.124 0.000 1.115 816 E HN 0.649 nan 8.360 nan 0.000 0.399 817 T N 1.024 115.519 114.554 -0.099 0.000 2.916 817 T HA 0.464 4.814 4.350 -0.000 0.000 0.292 817 T C -2.238 172.456 174.700 -0.010 0.000 1.055 817 T CA -1.876 60.195 62.100 -0.048 0.000 1.009 817 T CB 1.654 70.508 68.868 -0.023 0.000 1.118 817 T HN 0.250 nan 8.240 nan 0.000 0.497 818 P HA 0.255 nan 4.420 nan 0.000 0.249 818 P C 0.034 177.330 177.300 -0.007 0.000 1.229 818 P CA -0.035 63.060 63.100 -0.008 0.000 0.788 818 P CB 0.050 31.742 31.700 -0.014 0.000 1.072 819 L N 1.107 122.327 121.223 -0.006 0.000 2.325 819 L HA 0.135 4.475 4.340 -0.000 0.000 0.284 819 L C 0.774 177.649 176.870 0.008 0.000 1.089 819 L CA -0.519 54.314 54.840 -0.012 0.000 0.836 819 L CB 0.082 42.124 42.059 -0.030 0.000 1.184 819 L HN -0.049 nan 8.230 nan 0.000 0.444 820 Q N 2.607 122.397 119.800 -0.016 0.000 2.283 820 Q HA 0.009 4.349 4.340 -0.000 0.000 0.301 820 Q C 1.253 177.282 176.000 0.048 0.000 1.063 820 Q CA 1.056 56.853 55.803 -0.009 0.000 0.952 820 Q CB 0.718 29.386 28.738 -0.117 0.000 1.166 820 Q HN 0.942 nan 8.270 nan 0.000 0.381 821 G N 1.575 110.436 108.800 0.102 0.000 2.184 821 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.264 821 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.264 821 G C 0.421 175.351 174.900 0.050 0.000 0.975 821 G CA 0.221 45.377 45.100 0.095 0.000 0.642 821 G HN 0.947 nan 8.290 nan 0.000 0.536 822 A N 0.043 122.884 122.820 0.035 0.000 2.531 822 A HA 0.585 4.905 4.320 -0.000 0.000 0.236 822 A C 0.831 178.369 177.584 -0.077 0.000 1.062 822 A CA 0.531 52.523 52.037 -0.075 0.000 0.760 822 A CB 0.225 19.133 19.000 -0.154 0.000 0.995 822 A HN 0.548 nan 8.150 nan 0.000 0.501 823 R N 0.676 121.056 120.500 -0.201 0.000 2.460 823 R HA 0.509 4.849 4.340 -0.000 0.000 0.303 823 R C -1.640 174.501 176.300 -0.265 0.000 0.968 823 R CA -0.211 55.779 56.100 -0.184 0.000 0.889 823 R CB 1.430 31.623 30.300 -0.178 0.000 1.123 823 R HN 0.768 nan 8.270 nan 0.000 0.455 824 Y N -0.328 119.881 120.300 -0.153 0.000 2.429 824 Y HA 0.078 4.628 4.550 -0.000 0.000 0.342 824 Y C 1.524 177.392 175.900 -0.054 0.000 1.004 824 Y CA -0.562 57.506 58.100 -0.054 0.000 1.075 824 Y CB 2.246 40.727 38.460 0.035 0.000 1.214 824 Y HN 0.688 nan 8.280 nan 0.000 0.455 825 S N -0.317 115.442 115.700 0.098 0.000 2.399 825 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 825 S C 0.072 174.758 174.600 0.143 0.000 1.022 825 S CA 1.349 59.590 58.200 0.069 0.000 0.983 825 S CB 0.063 63.277 63.200 0.024 0.000 0.803 825 S HN 0.734 nan 8.310 nan 0.000 0.480 826 D N -0.593 119.917 120.400 0.183 0.000 2.623 826 D HA 0.627 5.267 4.640 -0.000 0.000 0.241 826 D C -1.618 174.696 176.300 0.023 0.000 1.241 826 D CA -0.472 53.611 54.000 0.139 0.000 0.788 826 D CB 1.795 42.601 40.800 0.011 0.000 1.413 826 D HN 0.064 nan 8.370 nan 0.000 0.429 827 N N 0.183 118.665 118.700 -0.364 0.000 3.185 827 N HA 0.320 5.060 4.740 -0.000 0.000 0.238 827 N C -1.155 174.027 175.510 -0.547 0.000 1.451 827 N CA -0.498 52.147 53.050 -0.675 0.000 0.888 827 N CB 0.693 38.523 38.487 -1.095 0.000 1.413 827 N HN 0.448 nan 8.380 nan 0.000 0.511 828 F N -0.254 119.348 119.950 -0.580 0.000 3.027 828 F HA -0.228 4.299 4.527 -0.000 0.000 0.276 828 F C -0.367 175.288 175.800 -0.241 0.000 0.967 828 F CA 0.693 58.468 58.000 -0.374 0.000 0.929 828 F CB -1.830 37.017 39.000 -0.255 0.000 0.873 828 F HN 0.324 nan 8.300 nan 0.000 0.787 829 F N -2.071 117.842 119.950 -0.061 0.000 2.579 829 F HA 0.771 5.298 4.527 -0.000 0.000 0.324 829 F C 0.023 175.775 175.800 -0.081 0.000 1.058 829 F CA -2.078 55.885 58.000 -0.062 0.000 0.944 829 F CB 0.733 39.683 39.000 -0.085 0.000 1.245 829 F HN -0.205 nan 8.300 nan 0.000 0.477 830 D N 2.092 122.595 120.400 0.170 0.000 2.351 830 D HA 0.248 4.888 4.640 -0.000 0.000 0.251 830 D C -0.824 175.563 176.300 0.144 0.000 1.137 830 D CA 0.114 54.144 54.000 0.050 0.000 0.879 830 D CB 1.997 42.799 40.800 0.004 0.000 1.181 830 D HN 0.532 nan 8.370 nan 0.000 0.448 831 L N 3.839 125.078 121.223 0.028 0.000 2.262 831 L HA 0.282 4.622 4.340 -0.000 0.000 0.288 831 L C -0.752 176.054 176.870 -0.108 0.000 1.035 831 L CA -0.403 54.449 54.840 0.020 0.000 0.820 831 L CB 0.545 42.599 42.059 -0.008 0.000 1.204 831 L HN 0.227 nan 8.230 nan 0.000 0.424 832 L N 6.746 127.904 121.223 -0.109 0.000 2.418 832 L HA 0.455 4.795 4.340 -0.000 0.000 0.265 832 L C -1.828 175.000 176.870 -0.070 0.000 1.143 832 L CA -2.022 52.753 54.840 -0.108 0.000 0.809 832 L CB 0.308 42.318 42.059 -0.083 0.000 1.124 832 L HN 0.491 nan 8.230 nan 0.000 0.456 833 P HA -0.022 nan 4.420 nan 0.000 0.260 833 P C 0.785 178.048 177.300 -0.061 0.000 1.185 833 P CA 0.778 63.861 63.100 -0.030 0.000 0.763 833 P CB 0.624 32.387 31.700 0.105 0.000 0.776 834 G N 2.784 111.422 108.800 -0.269 0.000 2.184 834 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 834 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 834 G C -0.160 174.818 174.900 0.130 0.000 0.975 834 G CA -0.117 44.955 45.100 -0.046 0.000 0.642 834 G HN 0.609 nan 8.290 nan 0.000 0.536 835 E N 0.920 121.114 120.200 -0.010 0.000 2.101 835 E HA 0.446 4.796 4.350 -0.000 0.000 0.260 835 E C 0.413 177.055 176.600 0.070 0.000 0.897 835 E CA -0.823 55.617 56.400 0.068 0.000 0.744 835 E CB 1.364 31.080 29.700 0.027 0.000 1.140 835 E HN 0.179 nan 8.360 nan 0.000 0.419 836 R N 2.146 122.777 120.500 0.217 0.000 2.758 836 R HA 0.030 4.370 4.340 -0.000 0.000 0.263 836 R C -0.230 176.113 176.300 0.071 0.000 1.010 836 R CA 0.290 56.524 56.100 0.223 0.000 1.114 836 R CB 0.269 30.686 30.300 0.196 0.000 0.985 836 R HN 0.481 nan 8.270 nan 0.000 0.439 837 K N 1.498 121.932 120.400 0.056 0.000 2.601 837 K HA 0.303 4.623 4.320 -0.000 0.000 0.249 837 K C -1.153 175.439 176.600 -0.015 0.000 0.966 837 K CA -0.398 55.865 56.287 -0.040 0.000 0.827 837 K CB 1.284 33.714 32.500 -0.116 0.000 1.178 837 K HN 0.502 nan 8.250 nan 0.000 0.437 838 K N 3.833 124.210 120.400 -0.040 0.000 2.227 838 K HA 0.401 4.721 4.320 -0.000 0.000 0.280 838 K C -1.149 175.431 176.600 -0.033 0.000 1.041 838 K CA -0.646 55.632 56.287 -0.015 0.000 0.905 838 K CB 1.054 33.546 32.500 -0.013 0.000 1.068 838 K HN 0.405 nan 8.250 nan 0.000 0.470 839 V N 6.390 126.308 119.914 0.006 0.000 2.448 839 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 839 V C -0.333 175.765 176.094 0.008 0.000 1.025 839 V CA -0.894 61.422 62.300 0.026 0.000 0.859 839 V CB 1.595 33.483 31.823 0.108 0.000 0.988 839 V HN 0.667 nan 8.190 nan 0.000 0.431 840 I N 5.903 126.468 120.570 -0.007 0.000 2.359 840 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 840 I C -0.320 175.731 176.117 -0.109 0.000 0.987 840 I CA -0.008 61.264 61.300 -0.047 0.000 1.225 840 I CB 1.404 39.380 38.000 -0.041 0.000 1.366 840 I HN 0.397 nan 8.210 nan 0.000 0.466 841 I N 5.221 125.681 120.570 -0.183 0.000 2.436 841 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 841 I C -0.271 175.699 176.117 -0.244 0.000 1.010 841 I CA -0.474 60.612 61.300 -0.356 0.000 1.098 841 I CB 1.985 39.695 38.000 -0.484 0.000 1.266 841 I HN 0.565 nan 8.210 nan 0.000 0.434 842 T N 1.536 115.947 114.554 -0.238 0.000 2.863 842 T HA 0.741 5.091 4.350 -0.000 0.000 0.285 842 T C -0.551 174.062 174.700 -0.145 0.000 1.009 842 T CA -0.810 61.199 62.100 -0.152 0.000 0.989 842 T CB 2.019 70.822 68.868 -0.108 0.000 1.004 842 T HN 0.551 nan 8.240 nan 0.000 0.455 843 S N 1.959 117.598 115.700 -0.102 0.000 2.537 843 S HA 0.555 5.024 4.470 -0.000 0.000 0.271 843 S C -2.514 172.058 174.600 -0.047 0.000 1.148 843 S CA -1.154 57.003 58.200 -0.072 0.000 0.868 843 S CB 1.696 64.850 63.200 -0.076 0.000 1.115 843 S HN 0.476 nan 8.310 nan 0.000 0.461 844 P HA 0.049 nan 4.420 nan 0.000 0.226 844 P C 0.991 178.282 177.300 -0.015 0.000 1.153 844 P CA 0.420 63.510 63.100 -0.016 0.000 0.777 844 P CB 0.085 31.783 31.700 -0.004 0.000 0.794 845 R N -1.152 119.337 120.500 -0.020 0.000 2.310 845 R HA 0.237 4.576 4.340 -0.000 0.000 0.202 845 R C 0.970 177.254 176.300 -0.026 0.000 0.933 845 R CA -0.030 56.059 56.100 -0.017 0.000 1.054 845 R CB -1.416 28.876 30.300 -0.014 0.000 0.985 845 R HN 0.277 nan 8.270 nan 0.000 0.489 846 I N 2.164 122.712 120.570 -0.036 0.000 2.363 846 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 846 I C 0.553 176.653 176.117 -0.027 0.000 1.075 846 I CA 0.186 61.464 61.300 -0.038 0.000 1.333 846 I CB 0.817 38.784 38.000 -0.054 0.000 1.415 846 I HN 0.189 nan 8.210 nan 0.000 0.502 847 K N 4.542 124.929 120.400 -0.021 0.000 2.427 847 K HA 0.793 5.113 4.320 -0.000 0.000 0.252 847 K C -0.058 176.533 176.600 -0.014 0.000 0.931 847 K CA -0.717 55.560 56.287 -0.016 0.000 0.793 847 K CB 1.012 nan 32.500 nan 0.000 1.211 847 K HN 0.599 nan 8.250 nan 0.000 0.426 848 K N -0.210 120.182 120.400 -0.013 0.000 2.518 848 K HA 0.470 4.790 4.320 -0.000 0.000 0.276 848 K C 1.514 178.108 176.600 -0.009 0.000 0.974 848 K CA 0.791 57.071 56.287 -0.011 0.000 0.986 848 K CB -0.613 31.881 32.500 -0.010 0.000 0.901 848 K HN 2.472 nan 8.250 nan 0.000 0.497 849 G N -0.566 108.229 108.800 -0.009 0.000 2.166 849 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 849 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 849 G C 0.099 174.994 174.900 -0.008 0.000 0.986 849 G CA 0.786 45.881 45.100 -0.008 0.000 0.683 849 G HN 1.534 nan 8.290 nan 0.000 0.527 850 E N 0.025 120.220 120.200 -0.008 0.000 2.182 850 E HA 0.510 4.860 4.350 -0.000 0.000 0.258 850 E C -0.293 176.301 176.600 -0.010 0.000 0.879 850 E CA -0.486 55.909 56.400 -0.008 0.000 0.754 850 E CB 1.172 30.867 29.700 -0.008 0.000 1.162 850 E HN 0.448 nan 8.360 nan 0.000 0.419 851 E N 3.336 123.531 120.200 -0.008 0.000 2.259 851 E HA 0.194 4.544 4.350 -0.000 0.000 0.281 851 E C -0.388 176.208 176.600 -0.007 0.000 1.027 851 E CA -0.630 55.767 56.400 -0.005 0.000 0.838 851 E CB 0.972 30.672 29.700 -0.000 0.000 1.066 851 E HN 0.517 nan 8.360 nan 0.000 0.401 852 L N 7.679 128.896 121.223 -0.010 0.000 2.456 852 L HA 0.196 4.536 4.340 -0.000 0.000 0.277 852 L C -2.335 174.525 176.870 -0.017 0.000 1.124 852 L CA -1.217 53.609 54.840 -0.022 0.000 0.880 852 L CB 0.266 42.301 42.059 -0.040 0.000 1.192 852 L HN 0.362 nan 8.230 nan 0.000 0.463 853 P HA 0.123 nan 4.420 nan 0.000 0.267 853 P C -1.167 176.095 177.300 -0.063 0.000 1.209 853 P CA 0.015 63.097 63.100 -0.028 0.000 0.763 853 P CB 0.739 32.420 31.700 -0.031 0.000 0.816 854 V N 3.752 123.622 119.914 -0.073 0.000 2.604 854 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 854 V C -0.160 175.826 176.094 -0.180 0.000 1.043 854 V CA -0.480 61.714 62.300 -0.177 0.000 0.888 854 V CB 1.971 33.624 31.823 -0.284 0.000 0.995 854 V HN 0.516 nan 8.190 nan 0.000 0.429 855 N N 4.144 122.677 118.700 -0.277 0.000 2.519 855 N HA 0.473 5.213 4.740 -0.000 0.000 0.286 855 N C -1.290 173.971 175.510 -0.414 0.000 1.079 855 N CA -0.378 52.507 53.050 -0.275 0.000 0.878 855 N CB 1.183 39.520 38.487 -0.250 0.000 1.375 855 N HN 0.619 nan 8.380 nan 0.000 0.514 856 I N 3.182 123.549 120.570 -0.337 0.000 2.304 856 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 856 I C 0.285 176.198 176.117 -0.340 0.000 1.018 856 I CA -0.545 60.529 61.300 -0.376 0.000 1.260 856 I CB 0.891 38.728 38.000 -0.273 0.000 1.390 856 I HN 0.258 nan 8.210 nan 0.000 0.475 857 K N 5.654 125.755 120.400 -0.498 0.000 2.156 857 K HA 0.693 5.013 4.320 -0.000 0.000 0.250 857 K C -0.977 175.346 176.600 -0.462 0.000 0.955 857 K CA -0.851 55.066 56.287 -0.617 0.000 0.855 857 K CB 2.025 33.894 32.500 -1.051 0.000 1.101 857 K HN 0.684 nan 8.250 nan 0.000 0.434 858 H N -1.970 116.869 119.070 -0.385 0.000 2.990 858 H HA 0.303 4.859 4.556 -0.000 0.000 0.336 858 H C 0.312 175.683 175.328 0.073 0.000 1.306 858 H CA -0.969 55.010 56.048 -0.114 0.000 1.118 858 H CB 0.441 30.118 29.762 -0.142 0.000 1.856 858 H HN 0.272 nan 8.280 nan 0.000 0.538 859 I N 0.078 120.793 120.570 0.241 0.000 2.315 859 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 859 I C 2.433 178.604 176.117 0.090 0.000 1.117 859 I CA 1.192 62.626 61.300 0.223 0.000 1.404 859 I CB -0.717 37.396 38.000 0.187 0.000 1.071 859 I HN 0.700 nan 8.210 nan 0.000 0.419 860 R N 1.898 122.397 120.500 -0.002 0.000 2.127 860 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 860 R C 1.810 177.768 176.300 -0.570 0.000 1.134 860 R CA 1.510 57.448 56.100 -0.270 0.000 0.975 860 R CB -0.495 29.785 30.300 -0.033 0.000 0.865 860 R HN 0.396 nan 8.270 nan 0.000 0.447 861 E N -0.943 118.960 120.200 -0.494 0.000 2.482 861 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 861 E C 0.882 177.312 176.600 -0.283 0.000 1.047 861 E CA 1.210 57.345 56.400 -0.441 0.000 0.869 861 E CB 0.194 29.567 29.700 -0.545 0.000 0.836 861 E HN 0.597 nan 8.360 nan 0.000 0.520 862 T N -1.683 112.756 114.554 -0.192 0.000 3.081 862 T HA -0.003 4.347 4.350 -0.000 0.000 0.250 862 T C 0.203 174.972 174.700 0.115 0.000 1.100 862 T CA -0.133 61.984 62.100 0.028 0.000 1.038 862 T CB -0.233 68.745 68.868 0.183 0.000 0.962 862 T HN 0.187 nan 8.240 nan 0.000 0.516 863 Y N -1.311 118.994 120.300 0.009 0.000 2.615 863 Y HA 0.752 5.302 4.550 -0.000 0.000 0.341 863 Y C -0.807 175.097 175.900 0.006 0.000 1.089 863 Y CA -2.050 56.064 58.100 0.022 0.000 1.049 863 Y CB 1.509 39.993 38.460 0.039 0.000 1.296 863 Y HN -0.189 nan 8.280 nan 0.000 0.470 864 K N 2.670 123.186 120.400 0.193 0.000 2.307 864 K HA 0.239 4.559 4.320 -0.000 0.000 0.263 864 K C -0.804 175.875 176.600 0.132 0.000 0.973 864 K CA -0.515 55.811 56.287 0.066 0.000 0.846 864 K CB 1.171 33.681 32.500 0.018 0.000 1.100 864 K HN 0.963 nan 8.250 nan 0.000 0.438 865 E N 4.344 124.596 120.200 0.087 0.000 2.283 865 E HA 0.252 4.602 4.350 -0.000 0.000 0.267 865 E C -0.622 175.903 176.600 -0.125 0.000 1.045 865 E CA -0.607 55.843 56.400 0.082 0.000 0.884 865 E CB 1.456 31.244 29.700 0.147 0.000 1.106 865 E HN 0.558 nan 8.360 nan 0.000 0.408 866 H N 0.000 119.105 119.070 0.059 0.000 2.539 866 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 866 H CA 0.000 56.072 56.048 0.040 0.000 1.023 866 H CB 0.000 29.782 29.762 0.033 0.000 1.292 866 H HN 0.000 nan 8.280 nan 0.000 0.496