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 2wbk_1_A 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 DLPRFMSQFG 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 HIRETYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.510 175.510 -0.000 0.000 1.280 28 N CA 0.000 53.051 53.050 0.002 0.000 0.885 28 N CB 0.000 38.490 38.487 0.005 0.000 1.341 29 D N -2.210 118.194 120.400 0.007 0.000 2.759 29 D HA 0.271 5.311 4.640 0.667 0.000 0.321 29 D C 0.050 176.366 176.300 0.027 0.000 1.267 29 D CA 0.321 54.328 54.000 0.012 0.000 0.933 29 D CB 0.483 41.285 40.800 0.004 0.000 1.431 29 D HN 0.357 nan 8.370 nan 0.000 0.504 30 T N -2.648 111.929 114.554 0.038 0.000 3.148 30 T HA 0.157 4.907 4.350 0.667 0.000 0.253 30 T C 0.866 175.612 174.700 0.078 0.000 1.134 30 T CA 0.346 62.475 62.100 0.049 0.000 1.051 30 T CB -0.807 68.089 68.868 0.047 0.000 0.959 30 T HN 0.599 nan 8.240 nan 0.000 0.525 31 S N 0.772 116.530 115.700 0.097 0.000 2.579 31 S HA 0.184 5.055 4.470 0.667 0.000 0.275 31 S C -0.182 174.497 174.600 0.131 0.000 1.345 31 S CA -0.808 57.481 58.200 0.150 0.000 1.031 31 S CB 0.888 64.176 63.200 0.147 0.000 0.892 31 S HN 0.609 nan 8.310 nan 0.000 0.529 32 E N 1.302 121.616 120.200 0.190 0.000 2.158 32 E HA 0.509 5.260 4.350 0.667 0.000 0.271 32 E C -1.547 175.208 176.600 0.257 0.000 0.911 32 E CA -0.900 55.603 56.400 0.172 0.000 0.767 32 E CB 1.510 31.270 29.700 0.099 0.000 1.120 32 E HN 0.554 nan 8.360 nan 0.000 0.405 33 V N 5.958 125.967 119.914 0.159 0.000 2.398 33 V HA 0.341 4.862 4.120 0.667 0.000 0.286 33 V C -0.029 176.142 176.094 0.128 0.000 1.026 33 V CA -0.569 61.812 62.300 0.134 0.000 0.868 33 V CB 1.502 33.362 31.823 0.061 0.000 0.982 33 V HN 0.794 nan 8.190 nan 0.000 0.443 34 M N 6.258 125.946 119.600 0.146 0.000 2.167 34 M HA 0.545 5.426 4.480 0.667 0.000 0.333 34 M C -1.431 174.881 176.300 0.020 0.000 1.030 34 M CA -0.559 54.804 55.300 0.104 0.000 0.963 34 M CB 1.149 33.867 32.600 0.197 0.000 1.589 34 M HN 0.495 nan 8.290 nan 0.000 0.431 35 L N 6.650 127.888 121.223 0.025 0.000 2.278 35 L HA 0.288 5.028 4.340 0.667 0.000 0.287 35 L C -0.383 176.511 176.870 0.040 0.000 1.072 35 L CA -0.341 54.514 54.840 0.025 0.000 0.819 35 L CB 0.619 42.706 42.059 0.047 0.000 1.176 35 L HN 0.760 nan 8.230 nan 0.000 0.435 36 L N 4.754 126.001 121.223 0.039 0.000 2.423 36 L HA 0.072 4.813 4.340 0.667 0.000 0.249 36 L C 0.456 177.553 176.870 0.377 0.000 1.276 36 L CA -0.059 54.853 54.840 0.120 0.000 1.199 36 L CB -0.372 41.718 42.059 0.051 0.000 1.407 36 L HN 0.681 nan 8.230 nan 0.000 0.410 37 D N -1.204 119.367 120.400 0.284 0.000 2.479 37 D HA 0.059 5.100 4.640 0.667 0.000 0.218 37 D C 0.448 176.960 176.300 0.355 0.000 1.177 37 D CA -0.065 54.127 54.000 0.319 0.000 0.830 37 D CB 0.447 41.346 40.800 0.166 0.000 1.014 37 D HN 0.326 nan 8.370 nan 0.000 0.503 38 T N -5.634 109.134 114.554 0.357 0.000 2.841 38 T HA 0.542 5.293 4.350 0.667 0.000 0.296 38 T C 0.879 175.727 174.700 0.248 0.000 1.166 38 T CA -0.334 61.951 62.100 0.309 0.000 1.007 38 T CB 1.584 70.561 68.868 0.182 0.000 1.253 38 T HN 0.333 nan 8.240 nan 0.000 0.511 39 G N -0.442 108.492 108.800 0.224 0.000 2.136 39 G HA2 -0.200 4.160 3.960 0.667 0.000 0.242 39 G HA3 -0.200 4.160 3.960 0.667 0.000 0.242 39 G C -0.264 174.726 174.900 0.150 0.000 0.989 39 G CA -0.072 45.106 45.100 0.129 0.000 0.682 39 G HN 0.781 nan 8.290 nan 0.000 0.522 40 W N 0.519 121.933 121.300 0.190 0.000 2.381 40 W HA 0.696 5.757 4.660 0.668 0.000 0.329 40 W C 0.697 177.388 176.519 0.287 0.000 1.157 40 W CA -0.510 56.983 57.345 0.248 0.000 1.240 40 W CB 0.855 30.505 29.460 0.317 0.000 1.199 40 W HN 0.161 nan 8.180 nan 0.000 0.579 41 E N 1.541 122.105 120.200 0.606 0.000 2.369 41 E HA 0.576 5.326 4.350 0.667 0.000 0.270 41 E C -1.362 175.620 176.600 0.636 0.000 0.909 41 E CA -1.153 55.581 56.400 0.557 0.000 0.775 41 E CB 2.500 32.450 29.700 0.417 0.000 1.270 41 E HN 0.320 nan 8.360 nan 0.000 0.445 42 F N -1.110 118.969 119.950 0.216 0.000 2.629 42 F HA 0.836 5.764 4.527 0.668 0.000 0.316 42 F C -0.874 174.739 175.800 -0.312 0.000 1.081 42 F CA -0.737 57.114 58.000 -0.247 0.000 0.954 42 F CB 2.158 40.654 39.000 -0.841 0.000 1.337 42 F HN 0.332 nan 8.300 nan 0.000 0.474 43 S N 1.105 116.391 115.700 -0.691 0.000 2.533 43 S HA 0.233 5.103 4.470 0.667 0.000 0.271 43 S C -1.701 172.664 174.600 -0.391 0.000 1.143 43 S CA -0.698 56.960 58.200 -0.904 0.000 0.891 43 S CB 1.710 63.852 63.200 -1.763 0.000 1.105 43 S HN 0.998 nan 8.310 nan 0.000 0.468 44 Q N 2.498 122.075 119.800 -0.371 0.000 2.271 44 Q HA 0.244 4.985 4.340 0.667 0.000 0.273 44 Q C -0.166 175.510 176.000 -0.540 0.000 1.051 44 Q CA 0.154 55.556 55.803 -0.668 0.000 0.901 44 Q CB 0.539 28.942 28.738 -0.558 0.000 1.174 44 Q HN 0.620 nan 8.270 nan 0.000 0.385 45 S N 2.712 118.085 115.700 -0.545 0.000 2.549 45 S HA 0.324 5.195 4.470 0.667 0.000 0.286 45 S C 0.993 175.467 174.600 -0.210 0.000 1.314 45 S CA 1.061 59.074 58.200 -0.312 0.000 1.062 45 S CB 0.181 63.219 63.200 -0.270 0.000 0.865 45 S HN 1.009 nan 8.310 nan 0.000 0.498 46 G N 2.751 111.483 108.800 -0.113 0.000 2.234 46 G HA2 -0.301 4.059 3.960 0.667 0.000 0.235 46 G HA3 -0.301 4.059 3.960 0.667 0.000 0.235 46 G C 0.894 175.729 174.900 -0.107 0.000 0.997 46 G CA 1.050 46.100 45.100 -0.083 0.000 0.623 46 G HN 1.177 nan 8.290 nan 0.000 0.514 47 T N -2.155 112.295 114.554 -0.174 0.000 3.051 47 T HA 0.389 5.140 4.350 0.667 0.000 0.255 47 T C 1.174 175.787 174.700 -0.144 0.000 1.085 47 T CA 1.325 63.326 62.100 -0.166 0.000 1.109 47 T CB -0.003 68.738 68.868 -0.211 0.000 0.921 47 T HN 0.856 nan 8.240 nan 0.000 0.488 48 E N -0.043 120.060 120.200 -0.162 0.000 3.547 48 E HA -0.198 4.552 4.350 0.667 0.000 0.300 48 E C 0.076 176.618 176.600 -0.096 0.000 0.857 48 E CA 0.840 57.211 56.400 -0.048 0.000 1.039 48 E CB -1.212 28.520 29.700 0.054 0.000 1.524 48 E HN 0.617 nan 8.360 nan 0.000 0.457 49 K N 0.712 120.940 120.400 -0.287 0.000 2.234 49 K HA 0.310 5.030 4.320 0.667 0.000 0.277 49 K C -1.119 175.178 176.600 -0.505 0.000 1.038 49 K CA -0.479 55.656 56.287 -0.253 0.000 0.888 49 K CB 0.559 32.939 32.500 -0.201 0.000 1.091 49 K HN -0.019 nan 8.250 nan 0.000 0.467 50 W N 5.522 126.731 121.300 -0.151 0.000 2.520 50 W HA 0.445 5.505 4.660 0.667 0.000 0.323 50 W C -0.209 176.185 176.519 -0.209 0.000 1.062 50 W CA -0.666 56.568 57.345 -0.184 0.000 1.215 50 W CB 1.289 30.704 29.460 -0.075 0.000 1.340 50 W HN 0.285 nan 8.180 nan 0.000 0.516 51 M N 3.512 123.056 119.600 -0.093 0.000 2.593 51 M HA 0.425 5.306 4.480 0.667 0.000 0.290 51 M C -2.569 173.875 176.300 0.241 0.000 1.244 51 M CA -2.204 53.043 55.300 -0.089 0.000 0.857 51 M CB 2.100 34.450 32.600 -0.416 0.000 1.738 51 M HN -0.041 nan 8.290 nan 0.000 0.461 52 P HA 0.241 nan 4.420 nan 0.000 0.269 52 P C -1.325 176.362 177.300 0.646 0.000 1.209 52 P CA -0.022 63.356 63.100 0.463 0.000 0.776 52 P CB 0.542 32.474 31.700 0.386 0.000 0.876 53 A N 1.958 125.088 122.820 0.518 0.000 2.423 53 A HA 0.735 5.456 4.320 0.667 0.000 0.304 53 A C -0.721 177.025 177.584 0.270 0.000 1.104 53 A CA -0.393 51.879 52.037 0.391 0.000 0.757 53 A CB 1.021 20.340 19.000 0.530 0.000 1.313 53 A HN 0.404 nan 8.150 nan 0.000 0.423 54 T N 1.174 115.796 114.554 0.114 0.000 2.770 54 T HA 0.561 5.311 4.350 0.667 0.000 0.283 54 T C -0.783 173.883 174.700 -0.056 0.000 0.988 54 T CA -0.272 61.864 62.100 0.060 0.000 0.957 54 T CB 0.998 69.879 68.868 0.022 0.000 0.930 54 T HN 0.502 nan 8.240 nan 0.000 0.443 55 V N 5.858 125.703 119.914 -0.115 0.000 2.588 55 V HA 0.412 4.932 4.120 0.667 0.000 0.304 55 V C -2.256 173.765 176.094 -0.121 0.000 1.042 55 V CA -2.219 59.897 62.300 -0.307 0.000 0.877 55 V CB 1.839 33.106 31.823 -0.927 0.000 0.996 55 V HN 0.680 nan 8.190 nan 0.000 0.425 56 P HA 0.473 nan 4.420 nan 0.000 0.266 56 P C 0.177 177.414 177.300 -0.105 0.000 1.195 56 P CA 0.469 63.497 63.100 -0.120 0.000 0.768 56 P CB 0.730 32.399 31.700 -0.051 0.000 0.838 57 G N 0.251 108.962 108.800 -0.149 0.000 2.427 57 G HA2 0.596 4.956 3.960 0.667 0.000 0.306 57 G HA3 0.596 4.956 3.960 0.667 0.000 0.306 57 G C -1.436 173.340 174.900 -0.207 0.000 1.280 57 G CA -0.334 44.686 45.100 -0.133 0.000 0.837 57 G HN 0.635 nan 8.290 nan 0.000 0.482 58 T N -2.828 111.595 114.554 -0.219 0.000 2.896 58 T HA 0.571 5.322 4.350 0.667 0.000 0.297 58 T C 1.024 175.525 174.700 -0.331 0.000 1.108 58 T CA 0.088 62.022 62.100 -0.277 0.000 1.004 58 T CB 1.559 70.312 68.868 -0.191 0.000 1.159 58 T HN 0.775 nan 8.240 nan 0.000 0.499 59 V N 1.117 120.781 119.914 -0.417 0.000 2.287 59 V HA -0.201 4.320 4.120 0.667 0.000 0.248 59 V C 2.486 178.164 176.094 -0.693 0.000 1.053 59 V CA 2.235 64.133 62.300 -0.671 0.000 1.027 59 V CB -1.222 29.941 31.823 -1.100 0.000 0.646 59 V HN 0.973 nan 8.190 nan 0.000 0.447 60 H N -0.508 118.238 119.070 -0.540 0.000 2.319 60 H HA -0.207 4.750 4.556 0.668 0.000 0.299 60 H C 2.273 177.403 175.328 -0.330 0.000 1.092 60 H CA 2.039 57.833 56.048 -0.423 0.000 1.302 60 H CB -0.332 29.212 29.762 -0.363 0.000 1.373 60 H HN 0.378 nan 8.280 nan 0.000 0.497 61 Q N 0.708 120.401 119.800 -0.178 0.000 2.124 61 Q HA -0.130 4.610 4.340 0.667 0.000 0.202 61 Q C 1.370 177.231 176.000 -0.232 0.000 0.977 61 Q CA 1.662 57.363 55.803 -0.170 0.000 0.850 61 Q CB -0.130 28.529 28.738 -0.130 0.000 0.901 61 Q HN 0.426 nan 8.270 nan 0.000 0.429 62 D N -0.336 119.842 120.400 -0.370 0.000 2.117 62 D HA -0.135 4.905 4.640 0.667 0.000 0.197 62 D C 1.889 178.009 176.300 -0.299 0.000 0.987 62 D CA 1.022 54.717 54.000 -0.509 0.000 0.829 62 D CB -0.112 40.004 40.800 -1.141 0.000 0.961 62 D HN 0.307 nan 8.370 nan 0.000 0.460 63 L N 0.486 121.557 121.223 -0.252 0.000 1.994 63 L HA -0.150 4.591 4.340 0.667 0.000 0.208 63 L C 2.597 179.493 176.870 0.044 0.000 1.071 63 L CA 0.753 55.619 54.840 0.043 0.000 0.745 63 L CB -0.345 41.666 42.059 -0.081 0.000 0.892 63 L HN -0.002 nan 8.230 nan 0.000 0.431 64 I N -0.120 120.416 120.570 -0.057 0.000 2.194 64 I HA -0.345 4.225 4.170 0.667 0.000 0.246 64 I C 2.692 178.783 176.117 -0.044 0.000 1.093 64 I CA 1.821 63.100 61.300 -0.036 0.000 1.355 64 I CB -0.328 37.628 38.000 -0.072 0.000 1.046 64 I HN 0.368 nan 8.210 nan 0.000 0.413 65 S N -0.672 114.951 115.700 -0.128 0.000 2.515 65 S HA -0.122 4.748 4.470 0.667 0.000 0.231 65 S C 1.484 175.902 174.600 -0.304 0.000 0.987 65 S CA 0.707 58.782 58.200 -0.209 0.000 0.936 65 S CB -0.394 62.645 63.200 -0.269 0.000 0.766 65 S HN 0.489 nan 8.310 nan 0.000 0.528 66 H N 0.857 119.992 119.070 0.107 0.000 2.542 66 H HA 0.363 5.320 4.556 0.668 0.000 0.283 66 H C 0.025 175.417 175.328 0.106 0.000 1.059 66 H CA 0.274 56.397 56.048 0.126 0.000 1.162 66 H CB -0.103 29.767 29.762 0.180 0.000 1.539 66 H HN 0.556 nan 8.280 nan 0.000 0.543 67 E N 0.381 120.670 120.200 0.148 0.000 2.791 67 E HA -0.193 4.557 4.350 0.667 0.000 0.271 67 E C 0.515 177.207 176.600 0.153 0.000 1.044 67 E CA 0.149 56.623 56.400 0.124 0.000 0.814 67 E CB -1.427 28.334 29.700 0.103 0.000 1.400 67 E HN 0.424 nan 8.360 nan 0.000 0.423 68 L N -0.292 121.050 121.223 0.199 0.000 2.567 68 L HA 0.233 4.974 4.340 0.667 0.000 0.225 68 L C 0.737 177.771 176.870 0.274 0.000 1.119 68 L CA 0.447 55.431 54.840 0.238 0.000 0.871 68 L CB 0.244 42.487 42.059 0.306 0.000 1.036 68 L HN 0.087 nan 8.230 nan 0.000 0.459 69 L N 0.048 121.388 121.223 0.196 0.000 2.388 69 L HA 0.493 5.234 4.340 0.667 0.000 0.264 69 L C -2.249 174.696 176.870 0.125 0.000 0.998 69 L CA -1.870 53.080 54.840 0.183 0.000 0.817 69 L CB 2.432 44.542 42.059 0.085 0.000 1.338 69 L HN -0.216 nan 8.230 nan 0.000 0.414 70 P HA 0.047 nan 4.420 nan 0.000 0.275 70 P C -0.881 176.473 177.300 0.090 0.000 1.266 70 P CA -0.556 62.610 63.100 0.110 0.000 0.793 70 P CB 0.416 32.200 31.700 0.140 0.000 1.074 71 N N 1.540 120.297 118.700 0.096 0.000 2.429 71 N HA -0.010 5.130 4.740 0.667 0.000 0.271 71 N C -1.407 174.195 175.510 0.153 0.000 1.272 71 N CA -1.515 51.593 53.050 0.096 0.000 0.921 71 N CB -0.137 38.442 38.487 0.154 0.000 1.128 71 N HN 0.166 nan 8.380 nan 0.000 0.481 72 P HA -0.086 nan 4.420 nan 0.000 0.220 72 P C 0.731 178.233 177.300 0.336 0.000 1.148 72 P CA 1.055 64.191 63.100 0.061 0.000 0.803 72 P CB 0.006 31.619 31.700 -0.147 0.000 0.782 73 F N -2.196 117.930 119.950 0.294 0.000 2.743 73 F HA 0.132 5.060 4.527 0.668 0.000 0.297 73 F C 1.257 177.385 175.800 0.548 0.000 1.131 73 F CA -1.095 57.189 58.000 0.473 0.000 1.426 73 F CB -1.537 37.699 39.000 0.393 0.000 1.116 73 F HN -0.107 nan 8.300 nan 0.000 0.583 74 Y N 0.783 121.396 120.300 0.522 0.000 2.316 74 Y HA 0.464 5.413 4.550 0.666 0.000 0.331 74 Y C 1.132 177.294 175.900 0.437 0.000 1.083 74 Y CA 0.283 58.650 58.100 0.444 0.000 1.206 74 Y CB 0.349 38.989 38.460 0.300 0.000 1.195 74 Y HN 0.301 nan 8.280 nan 0.000 0.497 75 G N 4.831 113.532 108.800 -0.165 0.000 2.583 75 G HA2 -0.307 4.053 3.960 0.667 0.000 0.292 75 G HA3 -0.307 4.053 3.960 0.667 0.000 0.292 75 G C 0.371 175.439 174.900 0.280 0.000 1.203 75 G CA 0.461 45.541 45.100 -0.033 0.000 0.987 75 G HN 0.587 nan 8.290 nan 0.000 0.554 76 M N 2.079 121.826 119.600 0.246 0.000 2.551 76 M HA 0.196 5.077 4.480 0.667 0.000 0.252 76 M C 1.562 177.989 176.300 0.211 0.000 1.219 76 M CA -0.031 55.396 55.300 0.212 0.000 0.978 76 M CB -0.439 32.258 32.600 0.161 0.000 1.533 76 M HN 0.428 nan 8.290 nan 0.000 0.474 77 N N 1.305 120.164 118.700 0.265 0.000 2.453 77 N HA -0.153 4.987 4.740 0.667 0.000 0.183 77 N C 1.544 177.157 175.510 0.172 0.000 1.041 77 N CA 0.687 53.878 53.050 0.235 0.000 0.900 77 N CB -0.057 38.598 38.487 0.280 0.000 0.961 77 N HN 0.544 nan 8.380 nan 0.000 0.443 78 E N 1.263 121.548 120.200 0.141 0.000 2.070 78 E HA -0.253 4.497 4.350 0.667 0.000 0.197 78 E C 1.835 178.473 176.600 0.064 0.000 1.004 78 E CA 1.393 57.827 56.400 0.058 0.000 0.805 78 E CB 0.110 29.809 29.700 -0.003 0.000 0.744 78 E HN 0.070 nan 8.360 nan 0.000 0.451 79 K N 0.669 121.121 120.400 0.086 0.000 2.103 79 K HA -0.136 4.584 4.320 0.667 0.000 0.207 79 K C 1.832 178.513 176.600 0.135 0.000 1.048 79 K CA 1.767 58.109 56.287 0.093 0.000 0.930 79 K CB -0.289 32.264 32.500 0.089 0.000 0.716 79 K HN 0.267 nan 8.250 nan 0.000 0.444 80 K N 0.279 120.775 120.400 0.160 0.000 2.432 80 K HA 0.125 4.845 4.320 0.667 0.000 0.196 80 K C 1.837 178.615 176.600 0.297 0.000 1.038 80 K CA 1.294 57.716 56.287 0.225 0.000 0.986 80 K CB -0.091 32.533 32.500 0.206 0.000 0.782 80 K HN 0.620 nan 8.250 nan 0.000 0.485 81 I N -2.790 117.876 120.570 0.160 0.000 4.018 81 I HA 0.053 4.624 4.170 0.667 0.000 0.337 81 I C 1.153 177.193 176.117 -0.129 0.000 1.327 81 I CA -0.102 61.200 61.300 0.003 0.000 1.100 81 I CB 0.266 38.270 38.000 0.006 0.000 1.025 81 I HN -0.147 nan 8.210 nan 0.000 0.396 82 Q N 1.991 121.809 119.800 0.031 0.000 2.226 82 Q HA -0.153 4.587 4.340 0.667 0.000 0.204 82 Q C 1.969 178.005 176.000 0.060 0.000 0.975 82 Q CA 2.012 57.839 55.803 0.041 0.000 0.866 82 Q CB -0.585 28.210 28.738 0.095 0.000 0.915 82 Q HN 0.925 nan 8.270 nan 0.000 0.440 83 W N 0.108 121.469 121.300 0.102 0.000 2.341 83 W HA -0.116 4.944 4.660 0.668 0.000 0.283 83 W C 1.285 177.898 176.519 0.156 0.000 1.215 83 W CA 0.704 58.115 57.345 0.110 0.000 1.211 83 W CB -1.021 28.495 29.460 0.093 0.000 1.131 83 W HN -0.111 nan 8.180 nan 0.000 0.552 84 V N 2.617 122.151 119.914 -0.632 0.000 2.515 84 V HA -0.313 4.208 4.120 0.667 0.000 0.250 84 V C 2.688 178.811 176.094 0.047 0.000 1.058 84 V CA 2.564 64.526 62.300 -0.564 0.000 1.064 84 V CB -0.961 30.208 31.823 -1.090 0.000 0.675 84 V HN 0.327 nan 8.190 nan 0.000 0.461 85 E N 0.379 120.600 120.200 0.036 0.000 2.418 85 E HA -0.198 4.553 4.350 0.667 0.000 0.197 85 E C 1.421 178.120 176.600 0.165 0.000 1.026 85 E CA 1.535 57.999 56.400 0.106 0.000 0.862 85 E CB -0.469 29.255 29.700 0.040 0.000 0.799 85 E HN 0.757 nan 8.360 nan 0.000 0.518 86 N N 0.238 119.051 118.700 0.188 0.000 2.353 86 N HA 0.019 5.160 4.740 0.667 0.000 0.185 86 N C -0.259 175.338 175.510 0.144 0.000 1.098 86 N CA -0.110 53.043 53.050 0.172 0.000 0.872 86 N CB 0.416 39.013 38.487 0.182 0.000 0.970 86 N HN 0.094 nan 8.380 nan 0.000 0.467 87 E N 0.817 121.107 120.200 0.150 0.000 2.227 87 E HA 0.224 4.975 4.350 0.667 0.000 0.268 87 E C -0.825 175.650 176.600 -0.208 0.000 0.990 87 E CA -0.324 56.016 56.400 -0.099 0.000 0.856 87 E CB 1.072 30.563 29.700 -0.348 0.000 1.159 87 E HN 0.025 nan 8.360 nan 0.000 0.401 88 D N 0.358 120.523 120.400 -0.392 0.000 2.229 88 D HA 0.410 5.450 4.640 0.667 0.000 0.249 88 D C -0.643 175.171 176.300 -0.810 0.000 1.027 88 D CA -0.105 53.685 54.000 -0.350 0.000 0.923 88 D CB 0.669 41.334 40.800 -0.226 0.000 1.174 88 D HN 0.201 nan 8.370 nan 0.000 0.443 89 W N 0.354 121.567 121.300 -0.144 0.000 2.883 89 W HA 0.376 5.437 4.660 0.669 0.000 0.335 89 W C 0.071 176.611 176.519 0.034 0.000 1.083 89 W CA -0.748 56.581 57.345 -0.028 0.000 1.233 89 W CB 1.392 30.939 29.460 0.145 0.000 1.412 89 W HN 0.053 nan 8.180 nan 0.000 0.490 90 E N 1.351 121.673 120.200 0.204 0.000 2.227 90 E HA 0.559 5.309 4.350 0.667 0.000 0.268 90 E C -1.614 175.273 176.600 0.478 0.000 0.907 90 E CA -1.189 55.410 56.400 0.332 0.000 0.786 90 E CB 2.499 32.329 29.700 0.216 0.000 1.191 90 E HN 0.393 nan 8.360 nan 0.000 0.411 91 Y N 0.541 121.251 120.300 0.683 0.000 2.524 91 Y HA 0.434 5.384 4.550 0.667 0.000 0.347 91 Y C -0.202 176.080 175.900 0.638 0.000 1.005 91 Y CA -0.964 57.599 58.100 0.771 0.000 1.025 91 Y CB 2.101 41.004 38.460 0.740 0.000 1.275 91 Y HN 0.454 nan 8.280 nan 0.000 0.460 92 R N 0.597 121.452 120.500 0.591 0.000 2.707 92 R HA 0.868 5.609 4.340 0.667 0.000 0.272 92 R C -1.852 174.348 176.300 -0.166 0.000 1.011 92 R CA -0.741 55.297 56.100 -0.103 0.000 0.893 92 R CB 2.429 32.040 30.300 -1.147 0.000 1.233 92 R HN 0.642 nan 8.270 nan 0.000 0.464 93 T N -0.086 114.174 114.554 -0.489 0.000 2.816 93 T HA 0.558 5.308 4.350 0.667 0.000 0.299 93 T C -1.326 173.219 174.700 -0.257 0.000 1.230 93 T CA -0.471 61.319 62.100 -0.517 0.000 1.007 93 T CB 2.037 70.206 68.868 -1.164 0.000 1.289 93 T HN 0.588 nan 8.240 nan 0.000 0.508 94 S N 0.782 116.372 115.700 -0.182 0.000 2.548 94 S HA 0.928 5.799 4.470 0.667 0.000 0.286 94 S C -1.594 172.953 174.600 -0.089 0.000 1.098 94 S CA -0.633 57.434 58.200 -0.222 0.000 0.930 94 S CB 0.988 64.061 63.200 -0.211 0.000 1.070 94 S HN 0.656 nan 8.310 nan 0.000 0.480 95 F N -0.026 119.809 119.950 -0.192 0.000 2.668 95 F HA 0.707 5.635 4.527 0.668 0.000 0.309 95 F C -1.681 174.064 175.800 -0.092 0.000 1.117 95 F CA -1.339 56.593 58.000 -0.113 0.000 0.951 95 F CB 0.579 39.535 39.000 -0.074 0.000 1.323 95 F HN 0.228 nan 8.300 nan 0.000 0.451 96 I N 3.066 123.698 120.570 0.103 0.000 2.385 96 I HA 0.536 5.106 4.170 0.667 0.000 0.294 96 I C -0.373 175.833 176.117 0.149 0.000 0.988 96 I CA -1.097 60.221 61.300 0.030 0.000 1.265 96 I CB 1.376 39.383 38.000 0.012 0.000 1.388 96 I HN 0.528 nan 8.210 nan 0.000 0.480 97 V N 5.230 125.197 119.914 0.088 0.000 2.448 97 V HA 0.376 4.896 4.120 0.667 0.000 0.295 97 V C 0.434 176.540 176.094 0.021 0.000 1.025 97 V CA -0.624 61.747 62.300 0.118 0.000 0.859 97 V CB 1.875 33.833 31.823 0.224 0.000 0.988 97 V HN 0.945 nan 8.190 nan 0.000 0.431 98 S N 2.621 118.299 115.700 -0.038 0.000 2.655 98 S HA 0.262 5.133 4.470 0.667 0.000 0.265 98 S C 1.090 175.673 174.600 -0.029 0.000 1.240 98 S CA 0.182 58.355 58.200 -0.045 0.000 0.986 98 S CB 1.246 64.398 63.200 -0.079 0.000 0.985 98 S HN 0.834 nan 8.310 nan 0.000 0.562 99 E N 0.452 120.637 120.200 -0.024 0.000 2.058 99 E HA -0.256 4.494 4.350 0.667 0.000 0.194 99 E C 1.928 178.517 176.600 -0.019 0.000 0.997 99 E CA 1.604 57.995 56.400 -0.014 0.000 0.801 99 E CB -0.287 29.405 29.700 -0.013 0.000 0.746 99 E HN 0.876 nan 8.360 nan 0.000 0.450 100 E N -0.078 120.100 120.200 -0.037 0.000 2.153 100 E HA -0.244 4.506 4.350 0.667 0.000 0.194 100 E C 2.130 178.698 176.600 -0.054 0.000 0.988 100 E CA 1.044 57.419 56.400 -0.042 0.000 0.811 100 E CB 0.062 29.732 29.700 -0.050 0.000 0.746 100 E HN 0.355 nan 8.360 nan 0.000 0.466 101 Q N -0.143 119.597 119.800 -0.100 0.000 2.119 101 Q HA -0.133 4.607 4.340 0.667 0.000 0.201 101 Q C 2.173 178.225 176.000 0.086 0.000 0.972 101 Q CA 0.937 56.645 55.803 -0.159 0.000 0.847 101 Q CB 0.016 28.490 28.738 -0.440 0.000 0.903 101 Q HN 0.260 nan 8.270 nan 0.000 0.433 102 L N 0.963 122.230 121.223 0.074 0.000 2.217 102 L HA -0.081 4.659 4.340 0.667 0.000 0.211 102 L C 1.341 178.247 176.870 0.060 0.000 1.107 102 L CA 1.370 56.271 54.840 0.102 0.000 0.783 102 L CB -0.156 41.944 42.059 0.068 0.000 0.919 102 L HN 0.158 nan 8.230 nan 0.000 0.442 103 N N -0.532 118.187 118.700 0.031 0.000 2.467 103 N HA -0.005 5.136 4.740 0.667 0.000 0.184 103 N C 0.195 175.707 175.510 0.004 0.000 1.106 103 N CA 0.074 53.130 53.050 0.011 0.000 0.892 103 N CB 0.104 38.591 38.487 0.000 0.000 0.969 103 N HN 0.224 nan 8.380 nan 0.000 0.454 104 R N 1.549 122.064 120.500 0.024 0.000 2.811 104 R HA -0.034 4.707 4.340 0.667 0.000 0.265 104 R C 0.886 177.137 176.300 -0.081 0.000 1.026 104 R CA 0.083 56.179 56.100 -0.007 0.000 1.142 104 R CB 0.200 30.533 30.300 0.055 0.000 1.027 104 R HN 0.112 nan 8.270 nan 0.000 0.465 105 D N 0.177 120.489 120.400 -0.147 0.000 2.117 105 D HA -0.052 4.988 4.640 0.667 0.000 0.197 105 D C 0.977 177.090 176.300 -0.311 0.000 0.987 105 D CA 1.614 55.500 54.000 -0.189 0.000 0.829 105 D CB 0.038 40.741 40.800 -0.162 0.000 0.961 105 D HN 0.633 nan 8.370 nan 0.000 0.460 106 G N -0.725 107.682 108.800 -0.655 0.000 2.612 106 G HA2 0.657 5.018 3.960 0.667 0.000 0.298 106 G HA3 0.657 5.018 3.960 0.667 0.000 0.298 106 G C -1.164 173.385 174.900 -0.584 0.000 1.336 106 G CA -0.602 44.039 45.100 -0.766 0.000 0.953 106 G HN 0.034 nan 8.290 nan 0.000 0.482 107 I N 0.537 120.971 120.570 -0.226 0.000 2.548 107 I HA 0.310 4.880 4.170 0.667 0.000 0.287 107 I C -0.719 175.350 176.117 -0.081 0.000 1.103 107 I CA -0.568 60.608 61.300 -0.207 0.000 1.049 107 I CB 2.423 40.252 38.000 -0.285 0.000 1.232 107 I HN 0.327 nan 8.210 nan 0.000 0.429 108 Q N 4.519 124.288 119.800 -0.051 0.000 2.345 108 Q HA 0.648 5.389 4.340 0.667 0.000 0.268 108 Q C -1.410 174.511 176.000 -0.132 0.000 1.054 108 Q CA -1.023 54.768 55.803 -0.020 0.000 0.835 108 Q CB 3.466 32.218 28.738 0.025 0.000 1.339 108 Q HN 0.419 nan 8.270 nan 0.000 0.447 109 L N 3.308 124.472 121.223 -0.099 0.000 2.305 109 L HA 0.545 5.285 4.340 0.667 0.000 0.284 109 L C -1.596 175.170 176.870 -0.173 0.000 1.013 109 L CA -0.197 54.533 54.840 -0.182 0.000 0.819 109 L CB 1.174 43.153 42.059 -0.134 0.000 1.227 109 L HN 0.544 nan 8.230 nan 0.000 0.417 110 I N 5.588 125.997 120.570 -0.269 0.000 2.389 110 I HA 0.369 4.939 4.170 0.667 0.000 0.288 110 I C -1.022 174.914 176.117 -0.301 0.000 0.999 110 I CA -0.126 61.078 61.300 -0.160 0.000 1.129 110 I CB 1.272 39.218 38.000 -0.089 0.000 1.288 110 I HN 0.393 nan 8.210 nan 0.000 0.444 111 F N 4.751 124.754 119.950 0.088 0.000 2.361 111 F HA 0.341 5.268 4.527 0.667 0.000 0.364 111 F C 1.362 177.177 175.800 0.024 0.000 1.117 111 F CA -0.421 57.633 58.000 0.090 0.000 1.071 111 F CB 1.224 40.328 39.000 0.173 0.000 1.188 111 F HN 0.516 nan 8.300 nan 0.000 0.464 112 E N 2.039 122.288 120.200 0.082 0.000 2.358 112 E HA 0.173 4.923 4.350 0.667 0.000 0.195 112 E C 0.687 177.197 176.600 -0.149 0.000 1.010 112 E CA 0.154 56.531 56.400 -0.038 0.000 0.856 112 E CB 0.363 30.013 29.700 -0.083 0.000 0.795 112 E HN 0.741 nan 8.360 nan 0.000 0.504 113 G N 0.684 109.430 108.800 -0.090 0.000 2.682 113 G HA2 0.449 4.810 3.960 0.667 0.000 0.300 113 G HA3 0.449 4.810 3.960 0.667 0.000 0.300 113 G C -1.496 173.543 174.900 0.231 0.000 1.396 113 G CA -0.770 44.244 45.100 -0.144 0.000 1.104 113 G HN -0.044 nan 8.290 nan 0.000 0.587 114 L N 2.111 123.599 121.223 0.440 0.000 2.381 114 L HA 0.507 5.248 4.340 0.667 0.000 0.274 114 L C -1.230 175.858 176.870 0.364 0.000 0.988 114 L CA -0.909 54.183 54.840 0.421 0.000 0.824 114 L CB 2.559 44.729 42.059 0.184 0.000 1.263 114 L HN 0.505 nan 8.230 nan 0.000 0.410 115 D N 1.537 122.104 120.400 0.279 0.000 2.472 115 D HA 0.403 5.444 4.640 0.667 0.000 0.234 115 D C -0.011 176.334 176.300 0.076 0.000 1.088 115 D CA -0.094 53.874 54.000 -0.053 0.000 0.882 115 D CB 1.491 42.077 40.800 -0.356 0.000 1.037 115 D HN 0.507 nan 8.370 nan 0.000 0.520 116 T N 2.029 116.683 114.554 0.168 0.000 3.545 116 T HA 0.073 4.823 4.350 0.667 0.000 0.274 116 T C -0.265 174.368 174.700 -0.111 0.000 0.989 116 T CA 0.078 62.124 62.100 -0.091 0.000 1.129 116 T CB -0.141 68.510 68.868 -0.362 0.000 1.165 116 T HN 0.202 nan 8.240 nan 0.000 0.436 117 Y N 2.720 123.154 120.300 0.224 0.000 2.600 117 Y HA 0.672 5.623 4.550 0.668 0.000 0.351 117 Y C 0.227 176.270 175.900 0.237 0.000 1.042 117 Y CA -1.060 57.170 58.100 0.216 0.000 1.333 117 Y CB 0.094 38.704 38.460 0.250 0.000 1.172 117 Y HN 0.233 nan 8.280 nan 0.000 0.517 118 A N 2.790 125.675 122.820 0.108 0.000 2.359 118 A HA 0.570 5.290 4.320 0.667 0.000 0.303 118 A C -1.141 176.323 177.584 -0.199 0.000 1.066 118 A CA -0.947 50.950 52.037 -0.234 0.000 0.730 118 A CB 0.739 19.320 19.000 -0.699 0.000 1.211 118 A HN 0.482 nan 8.150 nan 0.000 0.439 119 D N 1.783 122.108 120.400 -0.125 0.000 2.232 119 D HA 0.435 5.475 4.640 0.667 0.000 0.242 119 D C -0.516 175.555 176.300 -0.383 0.000 1.093 119 D CA 0.130 53.990 54.000 -0.234 0.000 0.845 119 D CB 1.855 42.613 40.800 -0.070 0.000 1.124 119 D HN 0.156 nan 8.370 nan 0.000 0.467 120 V N 3.777 123.382 119.914 -0.514 0.000 2.357 120 V HA 0.285 4.806 4.120 0.667 0.000 0.284 120 V C -0.794 175.100 176.094 -0.332 0.000 1.018 120 V CA -0.686 61.422 62.300 -0.320 0.000 0.841 120 V CB 0.351 31.977 31.823 -0.329 0.000 0.991 120 V HN 0.362 nan 8.190 nan 0.000 0.437 121 Y N 5.147 125.543 120.300 0.160 0.000 2.393 121 Y HA 0.750 5.701 4.550 0.667 0.000 0.341 121 Y C -0.300 175.733 175.900 0.222 0.000 0.988 121 Y CA -0.958 57.240 58.100 0.164 0.000 1.078 121 Y CB 1.951 40.495 38.460 0.141 0.000 1.203 121 Y HN 0.516 nan 8.280 nan 0.000 0.453 122 L N 4.291 125.708 121.223 0.322 0.000 2.406 122 L HA 0.527 5.267 4.340 0.667 0.000 0.272 122 L C -0.502 176.492 176.870 0.206 0.000 0.980 122 L CA -0.704 54.302 54.840 0.277 0.000 0.831 122 L CB 1.249 43.460 42.059 0.253 0.000 1.253 122 L HN 0.719 nan 8.230 nan 0.000 0.406 123 N N 4.419 123.228 118.700 0.182 0.000 2.707 123 N HA -0.228 4.913 4.740 0.667 0.000 0.253 123 N C 1.014 176.581 175.510 0.094 0.000 0.998 123 N CA 1.451 54.575 53.050 0.123 0.000 0.751 123 N CB -1.070 37.468 38.487 0.086 0.000 0.920 123 N HN 1.283 nan 8.380 nan 0.000 0.539 124 G N -2.063 106.794 108.800 0.095 0.000 2.225 124 G HA2 -0.296 4.064 3.960 0.667 0.000 0.254 124 G HA3 -0.296 4.064 3.960 0.667 0.000 0.254 124 G C 0.037 175.012 174.900 0.126 0.000 0.988 124 G CA 0.550 45.688 45.100 0.064 0.000 0.625 124 G HN 0.857 nan 8.290 nan 0.000 0.527 125 S N 0.014 115.812 115.700 0.164 0.000 2.462 125 S HA 0.640 5.510 4.470 0.667 0.000 0.294 125 S C 0.073 174.793 174.600 0.201 0.000 1.144 125 S CA -0.584 57.711 58.200 0.158 0.000 1.088 125 S CB 1.082 64.347 63.200 0.109 0.000 1.009 125 S HN 1.148 nan 8.310 nan 0.000 0.484 126 L N 7.224 128.542 121.223 0.157 0.000 2.433 126 L HA 0.331 5.072 4.340 0.667 0.000 0.284 126 L C 0.492 177.316 176.870 -0.077 0.000 1.120 126 L CA 0.465 55.271 54.840 -0.056 0.000 0.879 126 L CB -0.247 41.785 42.059 -0.046 0.000 1.232 126 L HN 0.846 nan 8.230 nan 0.000 0.454 127 L N 4.904 126.067 121.223 -0.100 0.000 2.209 127 L HA 0.182 4.922 4.340 0.667 0.000 0.207 127 L C -0.020 176.787 176.870 -0.105 0.000 1.094 127 L CA 0.233 55.047 54.840 -0.043 0.000 0.790 127 L CB -0.118 41.962 42.059 0.035 0.000 0.932 127 L HN 0.558 nan 8.230 nan 0.000 0.447 128 L N -0.461 120.634 121.223 -0.212 0.000 2.611 128 L HA 0.329 5.070 4.340 0.667 0.000 0.260 128 L C -1.387 175.296 176.870 -0.311 0.000 0.924 128 L CA -0.448 54.230 54.840 -0.270 0.000 0.901 128 L CB 1.673 43.511 42.059 -0.369 0.000 1.369 128 L HN -0.118 nan 8.230 nan 0.000 0.415 129 K N 4.522 124.782 120.400 -0.233 0.000 2.357 129 K HA 0.737 5.457 4.320 0.667 0.000 0.251 129 K C -0.344 176.149 176.600 -0.179 0.000 1.069 129 K CA -0.369 55.819 56.287 -0.164 0.000 0.994 129 K CB 1.287 33.743 32.500 -0.073 0.000 1.411 129 K HN 0.722 nan 8.250 nan 0.000 0.450 130 A N 2.543 125.200 122.820 -0.272 0.000 2.371 130 A HA 0.182 4.902 4.320 0.667 0.000 0.257 130 A C 0.244 177.792 177.584 -0.060 0.000 1.089 130 A CA -0.224 51.634 52.037 -0.299 0.000 0.794 130 A CB 0.242 18.973 19.000 -0.448 0.000 1.029 130 A HN 0.814 nan 8.150 nan 0.000 0.488 131 D N 0.252 120.656 120.400 0.007 0.000 2.783 131 D HA 0.069 5.109 4.640 0.667 0.000 0.306 131 D C -0.815 175.409 176.300 -0.127 0.000 1.633 131 D CA -0.264 53.688 54.000 -0.080 0.000 0.796 131 D CB -0.412 40.455 40.800 0.112 0.000 1.230 131 D HN 0.276 nan 8.370 nan 0.000 0.441 132 N N 1.128 119.803 118.700 -0.042 0.000 2.599 132 N HA 0.142 5.282 4.740 0.667 0.000 0.283 132 N C 0.463 175.917 175.510 -0.093 0.000 1.160 132 N CA -0.278 52.724 53.050 -0.081 0.000 0.869 132 N CB 1.655 40.141 38.487 -0.002 0.000 1.448 132 N HN 0.024 nan 8.380 nan 0.000 0.535 133 M N 2.496 121.905 119.600 -0.318 0.000 2.195 133 M HA -0.084 4.796 4.480 0.667 0.000 0.260 133 M C 0.006 176.321 176.300 0.024 0.000 1.066 133 M CA 1.892 57.014 55.300 -0.296 0.000 1.089 133 M CB 0.005 32.099 32.600 -0.843 0.000 1.377 133 M HN 0.397 nan 8.290 nan 0.000 0.411 134 F N -0.547 119.535 119.950 0.218 0.000 2.732 134 F HA 0.243 5.170 4.527 0.667 0.000 0.303 134 F C 0.124 175.930 175.800 0.010 0.000 1.110 134 F CA -0.302 57.874 58.000 0.293 0.000 1.355 134 F CB -0.525 38.708 39.000 0.389 0.000 1.081 134 F HN -0.218 nan 8.300 nan 0.000 0.565 135 V N -0.129 119.701 119.914 -0.141 0.000 2.459 135 V HA 0.689 5.210 4.120 0.667 0.000 0.295 135 V C 0.575 175.979 176.094 -1.150 0.000 1.029 135 V CA -1.123 60.693 62.300 -0.807 0.000 0.874 135 V CB 1.343 32.725 31.823 -0.735 0.000 0.985 135 V HN 0.188 nan 8.190 nan 0.000 0.438 136 G N 3.008 110.652 108.800 -1.927 0.000 2.395 136 G HA2 0.535 4.896 3.960 0.667 0.000 0.283 136 G HA3 0.535 4.896 3.960 0.667 0.000 0.283 136 G C -1.390 173.065 174.900 -0.741 0.000 1.178 136 G CA -0.130 44.386 45.100 -0.973 0.000 0.837 136 G HN 0.530 nan 8.290 nan 0.000 0.518 137 Y N 0.163 120.433 120.300 -0.050 0.000 2.364 137 Y HA 0.462 5.413 4.550 0.667 0.000 0.340 137 Y C 0.574 176.528 175.900 0.089 0.000 0.975 137 Y CA -0.655 57.467 58.100 0.037 0.000 1.089 137 Y CB 2.591 41.111 38.460 0.102 0.000 1.192 137 Y HN 0.381 nan 8.280 nan 0.000 0.454 138 T N 5.564 120.241 114.554 0.205 0.000 2.809 138 T HA 0.568 5.318 4.350 0.667 0.000 0.296 138 T C -0.632 174.143 174.700 0.125 0.000 1.015 138 T CA -0.583 61.591 62.100 0.124 0.000 0.954 138 T CB 0.016 68.924 68.868 0.066 0.000 0.950 138 T HN 0.361 nan 8.240 nan 0.000 0.450 139 L N 5.993 127.283 121.223 0.113 0.000 2.333 139 L HA 0.479 5.220 4.340 0.667 0.000 0.280 139 L C -2.242 174.670 176.870 0.070 0.000 1.004 139 L CA -2.494 52.411 54.840 0.107 0.000 0.820 139 L CB 1.808 43.956 42.059 0.147 0.000 1.247 139 L HN 0.312 nan 8.230 nan 0.000 0.416 140 P HA 0.068 nan 4.420 nan 0.000 0.276 140 P C 0.196 177.523 177.300 0.046 0.000 1.243 140 P CA -0.123 63.012 63.100 0.058 0.000 0.768 140 P CB 1.526 33.263 31.700 0.062 0.000 0.856 141 V N 0.519 120.448 119.914 0.025 0.000 3.337 141 V HA 0.198 4.718 4.120 0.667 0.000 0.307 141 V C 1.853 177.965 176.094 0.029 0.000 1.505 141 V CA 0.055 62.376 62.300 0.036 0.000 1.072 141 V CB -0.362 31.491 31.823 0.049 0.000 0.929 141 V HN 0.337 nan 8.190 nan 0.000 0.455 142 K N 2.562 122.966 120.400 0.006 0.000 2.074 142 K HA -0.219 4.501 4.320 0.667 0.000 0.209 142 K C 2.185 178.803 176.600 0.029 0.000 1.048 142 K CA 2.430 58.721 56.287 0.007 0.000 0.926 142 K CB -0.199 32.288 32.500 -0.022 0.000 0.713 142 K HN 0.753 nan 8.250 nan 0.000 0.444 143 S N -0.608 115.109 115.700 0.028 0.000 2.515 143 S HA -0.025 4.845 4.470 0.667 0.000 0.231 143 S C 1.618 176.242 174.600 0.040 0.000 0.987 143 S CA 0.788 59.006 58.200 0.030 0.000 0.936 143 S CB 0.367 63.583 63.200 0.026 0.000 0.766 143 S HN 0.146 nan 8.310 nan 0.000 0.528 144 V N 0.850 120.796 119.914 0.052 0.000 3.431 144 V HA 0.346 4.867 4.120 0.667 0.000 0.253 144 V C 0.986 177.121 176.094 0.068 0.000 1.184 144 V CA 0.093 62.432 62.300 0.064 0.000 1.104 144 V CB -0.358 31.513 31.823 0.081 0.000 0.799 144 V HN 0.431 nan 8.190 nan 0.000 0.462 145 L N 0.916 122.184 121.223 0.075 0.000 2.452 145 L HA 0.335 5.075 4.340 0.667 0.000 0.267 145 L C 0.370 177.272 176.870 0.053 0.000 1.188 145 L CA 0.314 55.204 54.840 0.085 0.000 0.821 145 L CB 0.472 42.610 42.059 0.131 0.000 1.102 145 L HN 0.212 nan 8.230 nan 0.000 0.470 146 R N 1.168 121.682 120.500 0.024 0.000 2.750 146 R HA 0.316 5.056 4.340 0.667 0.000 0.281 146 R C -0.832 175.468 176.300 -0.000 0.000 0.972 146 R CA -1.071 55.032 56.100 0.005 0.000 0.912 146 R CB 2.108 32.399 30.300 -0.016 0.000 1.187 146 R HN 0.392 nan 8.270 nan 0.000 0.464 147 K N 1.340 121.742 120.400 0.004 0.000 2.484 147 K HA 0.147 4.868 4.320 0.667 0.000 0.280 147 K C 0.482 177.066 176.600 -0.026 0.000 1.013 147 K CA 1.396 57.682 56.287 -0.002 0.000 1.029 147 K CB 0.236 32.735 32.500 -0.001 0.000 0.902 147 K HN 0.741 nan 8.250 nan 0.000 0.481 148 G N 1.538 110.318 108.800 -0.034 0.000 2.496 148 G HA2 -0.277 4.083 3.960 0.667 0.000 0.243 148 G HA3 -0.277 4.083 3.960 0.667 0.000 0.243 148 G C -0.309 174.520 174.900 -0.118 0.000 1.176 148 G CA -0.059 45.007 45.100 -0.056 0.000 0.940 148 G HN 0.908 nan 8.290 nan 0.000 0.573 149 E N 0.917 121.025 120.200 -0.153 0.000 2.360 149 E HA 0.550 5.301 4.350 0.667 0.000 0.269 149 E C 0.215 176.534 176.600 -0.468 0.000 1.022 149 E CA 0.219 56.436 56.400 -0.306 0.000 0.887 149 E CB 0.291 29.838 29.700 -0.254 0.000 0.990 149 E HN 0.721 nan 8.360 nan 0.000 0.426 150 N N 1.229 119.445 118.700 -0.807 0.000 2.225 150 N HA 0.374 5.515 4.740 0.667 0.000 0.298 150 N C -1.388 173.527 175.510 -0.992 0.000 1.076 150 N CA -0.607 51.920 53.050 -0.872 0.000 0.792 150 N CB 1.653 39.457 38.487 -1.138 0.000 1.498 150 N HN 0.619 nan 8.380 nan 0.000 0.474 151 H N 1.397 120.324 119.070 -0.238 0.000 2.658 151 H HA 0.319 5.276 4.556 0.667 0.000 0.337 151 H C -0.894 174.520 175.328 0.144 0.000 1.009 151 H CA -0.597 55.428 56.048 -0.040 0.000 1.231 151 H CB 2.562 32.368 29.762 0.074 0.000 1.508 151 H HN 0.298 nan 8.280 nan 0.000 0.517 152 L N 4.353 125.733 121.223 0.262 0.000 2.325 152 L HA 0.384 5.125 4.340 0.667 0.000 0.281 152 L C -1.720 175.335 176.870 0.307 0.000 1.004 152 L CA -0.581 54.456 54.840 0.328 0.000 0.823 152 L CB 0.604 42.833 42.059 0.284 0.000 1.236 152 L HN 0.424 nan 8.230 nan 0.000 0.415 153 Y N 5.122 125.621 120.300 0.332 0.000 2.425 153 Y HA 0.683 5.634 4.550 0.668 0.000 0.344 153 Y C -0.430 175.751 175.900 0.469 0.000 0.969 153 Y CA -0.593 57.748 58.100 0.401 0.000 1.052 153 Y CB 2.125 40.783 38.460 0.330 0.000 1.215 153 Y HN 0.417 nan 8.280 nan 0.000 0.451 154 I N 3.807 124.749 120.570 0.619 0.000 2.478 154 I HA 0.218 4.789 4.170 0.667 0.000 0.287 154 I C -1.501 174.831 176.117 0.359 0.000 1.042 154 I CA -0.948 60.562 61.300 0.349 0.000 1.067 154 I CB 1.899 40.002 38.000 0.172 0.000 1.233 154 I HN 0.536 nan 8.210 nan 0.000 0.431 155 Y N 6.375 126.742 120.300 0.112 0.000 2.335 155 Y HA 0.485 5.435 4.550 0.668 0.000 0.339 155 Y C -1.048 174.737 175.900 -0.192 0.000 0.987 155 Y CA -0.427 57.720 58.100 0.078 0.000 1.140 155 Y CB 0.853 39.360 38.460 0.079 0.000 1.173 155 Y HN 0.352 nan 8.280 nan 0.000 0.486 156 F N 5.660 125.610 119.950 0.001 0.000 2.313 156 F HA 0.259 5.187 4.527 0.668 0.000 0.369 156 F C 0.301 176.131 175.800 0.050 0.000 1.109 156 F CA -0.679 57.388 58.000 0.111 0.000 1.132 156 F CB 0.195 39.310 39.000 0.193 0.000 1.291 156 F HN 0.470 nan 8.300 nan 0.000 0.496 157 H N 1.019 120.380 119.070 0.485 0.000 2.815 157 H HA -0.008 4.948 4.556 0.667 0.000 0.350 157 H C 0.554 176.100 175.328 0.362 0.000 1.080 157 H CA -0.119 56.177 56.048 0.414 0.000 1.433 157 H CB 1.201 31.155 29.762 0.320 0.000 1.432 157 H HN 0.473 nan 8.280 nan 0.000 0.592 158 S N 4.022 119.949 115.700 0.378 0.000 2.537 158 S HA -0.001 4.869 4.470 0.667 0.000 0.286 158 S C -1.297 173.477 174.600 0.290 0.000 1.299 158 S CA -1.188 57.193 58.200 0.301 0.000 1.067 158 S CB 0.585 63.913 63.200 0.213 0.000 0.864 158 S HN 0.536 nan 8.310 nan 0.000 0.494 159 P HA 0.043 nan 4.420 nan 0.000 0.245 159 P C 1.218 178.666 177.300 0.247 0.000 1.206 159 P CA 0.156 63.490 63.100 0.391 0.000 0.781 159 P CB 0.079 32.031 31.700 0.420 0.000 0.994 160 I N 0.442 121.113 120.570 0.168 0.000 2.188 160 I HA -0.069 4.502 4.170 0.667 0.000 0.237 160 I C 2.772 178.920 176.117 0.051 0.000 1.073 160 I CA 0.965 62.324 61.300 0.098 0.000 1.359 160 I CB -1.507 36.536 38.000 0.071 0.000 1.083 160 I HN -0.008 nan 8.210 nan 0.000 0.412 161 R N 0.876 121.418 120.500 0.070 0.000 2.113 161 R HA -0.282 4.459 4.340 0.667 0.000 0.244 161 R C 2.266 178.562 176.300 -0.006 0.000 1.142 161 R CA 2.244 58.374 56.100 0.050 0.000 0.953 161 R CB -0.276 30.080 30.300 0.093 0.000 0.860 161 R HN 0.314 nan 8.270 nan 0.000 0.438 162 Q N -0.062 119.715 119.800 -0.039 0.000 2.170 162 Q HA -0.110 4.630 4.340 0.667 0.000 0.203 162 Q C 1.597 177.461 176.000 -0.227 0.000 0.976 162 Q CA 2.427 58.104 55.803 -0.211 0.000 0.858 162 Q CB -0.064 28.394 28.738 -0.467 0.000 0.907 162 Q HN 0.550 nan 8.270 nan 0.000 0.433 163 T N -3.292 111.188 114.554 -0.122 0.000 3.040 163 T HA 0.197 4.947 4.350 0.667 0.000 0.250 163 T C 1.593 176.230 174.700 -0.105 0.000 1.058 163 T CA -0.056 61.976 62.100 -0.113 0.000 0.988 163 T CB -0.083 68.795 68.868 0.017 0.000 0.993 163 T HN 0.203 nan 8.240 nan 0.000 0.519 164 L N 1.528 122.719 121.223 -0.053 0.000 2.042 164 L HA 0.010 4.750 4.340 0.667 0.000 0.210 164 L C -0.101 176.765 176.870 -0.007 0.000 1.076 164 L CA 1.451 56.289 54.840 -0.004 0.000 0.749 164 L CB -1.486 40.583 42.059 0.016 0.000 0.893 164 L HN 0.270 nan 8.230 nan 0.000 0.432 165 P HA -0.197 nan 4.420 nan 0.000 0.219 165 P C 1.473 178.685 177.300 -0.147 0.000 1.150 165 P CA 1.279 64.331 63.100 -0.080 0.000 0.814 165 P CB 0.049 31.699 31.700 -0.083 0.000 0.787 166 Q N -0.904 118.757 119.800 -0.233 0.000 2.050 166 Q HA -0.213 4.527 4.340 0.667 0.000 0.202 166 Q C 2.325 177.998 176.000 -0.545 0.000 0.980 166 Q CA 1.298 56.859 55.803 -0.403 0.000 0.840 166 Q CB -0.630 27.787 28.738 -0.536 0.000 0.898 166 Q HN 0.142 nan 8.270 nan 0.000 0.424 167 Y N 0.201 120.116 120.300 -0.642 0.000 2.181 167 Y HA -0.166 4.785 4.550 0.668 0.000 0.288 167 Y C 1.984 177.765 175.900 -0.197 0.000 1.146 167 Y CA 1.577 59.432 58.100 -0.407 0.000 1.164 167 Y CB -0.531 37.830 38.460 -0.164 0.000 0.982 167 Y HN 0.203 nan 8.280 nan 0.000 0.515 168 A N -0.188 122.529 122.820 -0.172 0.000 1.933 168 A HA -0.195 4.525 4.320 0.667 0.000 0.218 168 A C 2.411 179.850 177.584 -0.241 0.000 1.175 168 A CA 2.056 53.962 52.037 -0.218 0.000 0.628 168 A CB -1.327 17.637 19.000 -0.060 0.000 0.814 168 A HN 0.613 nan 8.150 nan 0.000 0.444 169 S N -0.202 115.370 115.700 -0.214 0.000 2.481 169 S HA -0.125 4.746 4.470 0.667 0.000 0.231 169 S C 1.585 176.071 174.600 -0.191 0.000 0.996 169 S CA 1.233 59.331 58.200 -0.171 0.000 0.942 169 S CB -0.561 62.556 63.200 -0.138 0.000 0.768 169 S HN 0.576 nan 8.310 nan 0.000 0.520 170 N N 1.577 120.104 118.700 -0.289 0.000 2.270 170 N HA 0.101 5.241 4.740 0.667 0.000 0.181 170 N C 1.490 176.813 175.510 -0.310 0.000 1.016 170 N CA 1.448 54.313 53.050 -0.309 0.000 0.870 170 N CB -0.576 37.719 38.487 -0.320 0.000 0.979 170 N HN 0.614 nan 8.380 nan 0.000 0.431 171 G N -1.419 107.210 108.800 -0.285 0.000 2.205 171 G HA2 -0.253 4.108 3.960 0.667 0.000 0.261 171 G HA3 -0.253 4.108 3.960 0.667 0.000 0.261 171 G C 0.113 175.033 174.900 0.035 0.000 0.980 171 G CA 0.974 46.011 45.100 -0.106 0.000 0.632 171 G HN 0.561 nan 8.290 nan 0.000 0.533 172 F N -1.762 118.129 119.950 -0.097 0.000 2.685 172 F HA 0.790 5.717 4.527 0.667 0.000 0.315 172 F C -0.872 174.961 175.800 0.056 0.000 1.126 172 F CA -2.003 55.992 58.000 -0.007 0.000 0.950 172 F CB 0.855 39.865 39.000 0.017 0.000 1.360 172 F HN -0.028 nan 8.300 nan 0.000 0.469 173 N N 0.885 119.843 118.700 0.430 0.000 2.425 173 N HA 0.293 5.434 4.740 0.667 0.000 0.268 173 N C -1.422 174.440 175.510 0.587 0.000 0.991 173 N CA -0.530 52.828 53.050 0.513 0.000 0.931 173 N CB 0.487 39.227 38.487 0.421 0.000 1.130 173 N HN 0.640 nan 8.380 nan 0.000 0.493 174 Y N 2.939 123.452 120.300 0.355 0.000 2.578 174 Y HA 0.122 5.072 4.550 0.667 0.000 0.339 174 Y C -1.191 174.870 175.900 0.270 0.000 1.231 174 Y CA -0.992 57.241 58.100 0.222 0.000 1.461 174 Y CB 0.664 39.076 38.460 -0.079 0.000 1.323 174 Y HN 0.476 nan 8.280 nan 0.000 0.590 175 P HA 0.187 nan 4.420 nan 0.000 0.209 175 P C -1.042 176.233 177.300 -0.043 0.000 1.843 175 P CA -0.061 63.069 63.100 0.050 0.000 0.985 175 P CB -0.187 31.199 31.700 -0.523 0.000 1.904 176 A N 1.431 124.138 122.820 -0.187 0.000 2.774 176 A HA 0.239 4.960 4.320 0.667 0.000 0.326 176 A C 1.046 178.232 177.584 -0.663 0.000 1.478 176 A CA -0.349 51.484 52.037 -0.340 0.000 1.099 176 A CB -0.217 18.577 19.000 -0.342 0.000 1.148 176 A HN 0.055 nan 8.150 nan 0.000 0.519 177 D N 0.949 121.157 120.400 -0.321 0.000 2.264 177 D HA -0.114 4.927 4.640 0.667 0.000 0.208 177 D C 1.083 177.239 176.300 -0.240 0.000 0.966 177 D CA 0.952 54.812 54.000 -0.232 0.000 0.864 177 D CB 0.202 40.965 40.800 -0.060 0.000 0.933 177 D HN 0.548 nan 8.370 nan 0.000 0.499 178 N N 0.950 119.368 118.700 -0.471 0.000 2.494 178 N HA -0.095 5.046 4.740 0.667 0.000 0.182 178 N C 0.207 175.383 175.510 -0.558 0.000 1.076 178 N CA 0.296 52.923 53.050 -0.706 0.000 0.908 178 N CB 0.207 37.618 38.487 -1.792 0.000 0.967 178 N HN 0.128 nan 8.380 nan 0.000 0.449 179 D N 1.046 121.242 120.400 -0.340 0.000 2.383 179 D HA -0.016 5.024 4.640 0.667 0.000 0.245 179 D C -0.350 176.047 176.300 0.162 0.000 1.263 179 D CA -0.088 53.841 54.000 -0.119 0.000 0.936 179 D CB -0.374 40.322 40.800 -0.174 0.000 1.053 179 D HN 0.269 nan 8.370 nan 0.000 0.507 180 H N 4.287 123.409 119.070 0.086 0.000 2.998 180 H HA 0.119 5.075 4.556 0.667 0.000 0.241 180 H C -0.002 175.433 175.328 0.178 0.000 1.852 180 H CA -0.157 55.944 56.048 0.087 0.000 1.419 180 H CB 0.018 29.785 29.762 0.009 0.000 1.793 180 H HN 0.333 nan 8.280 nan 0.000 0.553 181 H N 0.909 120.116 119.070 0.228 0.000 3.079 181 H HA -0.022 4.934 4.556 0.667 0.000 0.356 181 H C 0.638 176.005 175.328 0.066 0.000 1.221 181 H CA -0.477 55.649 56.048 0.129 0.000 1.185 181 H CB 1.617 31.454 29.762 0.125 0.000 1.882 181 H HN 0.536 nan 8.280 nan 0.000 0.543 182 E N 2.814 122.987 120.200 -0.045 0.000 2.114 182 E HA -0.157 4.593 4.350 0.667 0.000 0.199 182 E C -0.491 176.044 176.600 -0.107 0.000 1.008 182 E CA 1.227 57.598 56.400 -0.049 0.000 0.810 182 E CB 0.239 29.894 29.700 -0.075 0.000 0.739 182 E HN 0.400 nan 8.360 nan 0.000 0.456 183 K N 0.284 120.773 120.400 0.148 0.000 2.213 183 K HA 0.247 4.967 4.320 0.667 0.000 0.270 183 K C -1.058 175.402 176.600 -0.233 0.000 1.002 183 K CA -0.290 55.784 56.287 -0.355 0.000 0.868 183 K CB 1.117 33.181 32.500 -0.725 0.000 1.093 183 K HN 0.192 nan 8.250 nan 0.000 0.454 184 H N 3.585 122.578 119.070 -0.128 0.000 2.820 184 H HA 0.096 5.053 4.556 0.668 0.000 0.248 184 H C 0.644 175.898 175.328 -0.123 0.000 1.714 184 H CA -0.361 55.641 56.048 -0.077 0.000 1.334 184 H CB 0.061 29.828 29.762 0.009 0.000 1.693 184 H HN 0.376 nan 8.280 nan 0.000 0.548 185 L N 0.863 122.050 121.223 -0.060 0.000 2.509 185 L HA -0.068 4.673 4.340 0.667 0.000 0.222 185 L C 2.339 179.114 176.870 -0.158 0.000 1.123 185 L CA 0.254 55.118 54.840 0.039 0.000 0.856 185 L CB -0.108 41.962 42.059 0.019 0.000 0.985 185 L HN 0.548 nan 8.230 nan 0.000 0.456 186 S N 0.658 115.953 115.700 -0.674 0.000 2.374 186 S HA -0.214 4.657 4.470 0.667 0.000 0.227 186 S C 1.971 176.322 174.600 -0.414 0.000 1.037 186 S CA 1.497 59.023 58.200 -1.123 0.000 1.024 186 S CB -1.252 61.242 63.200 -1.175 0.000 0.861 186 S HN 0.369 nan 8.310 nan 0.000 0.456 187 V N -1.825 117.796 119.914 -0.488 0.000 2.867 187 V HA 0.040 4.561 4.120 0.667 0.000 0.260 187 V C 1.926 177.744 176.094 -0.459 0.000 1.099 187 V CA 1.233 63.173 62.300 -0.600 0.000 1.122 187 V CB -1.502 29.607 31.823 -1.191 0.000 0.708 187 V HN 0.378 nan 8.190 nan 0.000 0.490 188 F N 1.170 121.070 119.950 -0.083 0.000 2.615 188 F HA 0.296 5.224 4.527 0.668 0.000 0.297 188 F C 1.385 177.368 175.800 0.305 0.000 1.124 188 F CA 0.336 58.371 58.000 0.058 0.000 1.451 188 F CB -0.237 38.783 39.000 0.033 0.000 1.103 188 F HN 0.101 nan 8.300 nan 0.000 0.569 189 S N 0.612 116.566 115.700 0.423 0.000 2.472 189 S HA 0.441 5.311 4.470 0.667 0.000 0.303 189 S C -0.020 174.758 174.600 0.297 0.000 1.099 189 S CA -0.873 57.569 58.200 0.404 0.000 1.077 189 S CB 1.336 64.787 63.200 0.419 0.000 1.031 189 S HN -0.077 nan 8.310 nan 0.000 0.487 190 R N 3.154 123.757 120.500 0.171 0.000 2.612 190 R HA 0.312 5.052 4.340 0.667 0.000 0.273 190 R C -0.103 176.050 176.300 -0.244 0.000 1.376 190 R CA -0.004 56.143 56.100 0.078 0.000 1.171 190 R CB -0.991 29.340 30.300 0.050 0.000 1.151 190 R HN 0.621 nan 8.270 nan 0.000 0.560 191 K N -0.194 120.117 120.400 -0.148 0.000 2.569 191 K HA 0.374 5.095 4.320 0.667 0.000 0.259 191 K C -1.164 175.481 176.600 0.074 0.000 0.932 191 K CA -0.595 55.524 56.287 -0.280 0.000 0.833 191 K CB 1.725 34.199 32.500 -0.043 0.000 1.340 191 K HN 0.371 nan 8.250 nan 0.000 0.429 192 A N 5.332 128.172 122.820 0.032 0.000 2.558 192 A HA 0.076 4.796 4.320 0.667 0.000 0.262 192 A C -1.906 175.879 177.584 0.335 0.000 1.049 192 A CA -0.482 51.738 52.037 0.305 0.000 0.804 192 A CB -0.429 18.739 19.000 0.280 0.000 0.957 192 A HN 0.648 nan 8.150 nan 0.000 0.520 193 P HA -0.246 nan 4.420 nan 0.000 0.215 193 P C 1.325 178.909 177.300 0.474 0.000 1.157 193 P CA 2.061 65.381 63.100 0.367 0.000 0.874 193 P CB -0.183 31.648 31.700 0.219 0.000 0.790 194 Y N -0.330 120.069 120.300 0.165 0.000 2.465 194 Y HA -0.158 4.792 4.550 0.667 0.000 0.289 194 Y C 1.975 177.947 175.900 0.120 0.000 1.150 194 Y CA 1.024 59.251 58.100 0.212 0.000 1.293 194 Y CB -1.443 37.144 38.460 0.211 0.000 0.977 194 Y HN -0.023 nan 8.280 nan 0.000 0.556 195 S N -0.619 114.762 115.700 -0.533 0.000 2.423 195 S HA -0.223 4.648 4.470 0.667 0.000 0.231 195 S C 1.182 175.486 174.600 -0.494 0.000 1.014 195 S CA 0.900 58.663 58.200 -0.728 0.000 0.965 195 S CB -1.188 61.625 63.200 -0.644 0.000 0.785 195 S HN 0.670 nan 8.310 nan 0.000 0.495 196 Y N 2.837 123.017 120.300 -0.201 0.000 2.578 196 Y HA 0.405 5.356 4.550 0.667 0.000 0.297 196 Y C 1.536 177.296 175.900 -0.233 0.000 1.176 196 Y CA 0.210 58.225 58.100 -0.142 0.000 1.315 196 Y CB -0.434 37.994 38.460 -0.054 0.000 1.031 196 Y HN 0.585 nan 8.280 nan 0.000 0.524 197 G N -1.102 107.583 108.800 -0.191 0.000 2.459 197 G HA2 -0.022 4.338 3.960 0.667 0.000 0.685 197 G HA3 -0.022 4.338 3.960 0.667 0.000 0.685 197 G C -1.444 173.246 174.900 -0.351 0.000 1.303 197 G CA -0.874 43.943 45.100 -0.471 0.000 0.907 197 G HN 0.145 nan 8.290 nan 0.000 0.632 198 W N -0.074 120.808 121.300 -0.696 0.000 2.937 198 W HA 0.335 5.395 4.660 0.667 0.000 0.360 198 W C -0.134 176.123 176.519 -0.437 0.000 1.215 198 W CA 0.334 57.276 57.345 -0.671 0.000 1.183 198 W CB 1.309 30.094 29.460 -1.125 0.000 1.458 198 W HN 0.811 nan 8.180 nan 0.000 0.574 199 D N -0.389 119.765 120.400 -0.409 0.000 2.352 199 D HA -0.066 4.975 4.640 0.667 0.000 0.232 199 D C 0.857 177.318 176.300 0.268 0.000 1.055 199 D CA 0.590 54.589 54.000 -0.002 0.000 0.891 199 D CB -0.576 40.268 40.800 0.075 0.000 0.897 199 D HN 0.422 nan 8.370 nan 0.000 0.529 200 W N -1.272 120.353 121.300 0.541 0.000 2.036 200 W HA 0.588 5.650 4.660 0.671 0.000 0.298 200 W C -0.164 176.656 176.519 0.500 0.000 0.885 200 W CA -0.936 56.677 57.345 0.446 0.000 1.488 200 W CB 0.031 29.772 29.460 0.468 0.000 1.079 200 W HN -0.024 nan 8.180 nan 0.000 0.506 201 G N 1.797 110.791 108.800 0.324 0.000 2.498 201 G HA2 0.588 4.949 3.960 0.667 0.000 0.312 201 G HA3 0.588 4.949 3.960 0.667 0.000 0.312 201 G C -1.431 173.361 174.900 -0.180 0.000 1.230 201 G CA -0.905 44.316 45.100 0.203 0.000 0.968 201 G HN 0.121 nan 8.290 nan 0.000 0.481 202 I N 0.313 120.368 120.570 -0.859 0.000 2.440 202 I HA 0.482 5.052 4.170 0.667 0.000 0.294 202 I C 0.502 176.304 176.117 -0.525 0.000 0.995 202 I CA -1.085 59.644 61.300 -0.951 0.000 1.306 202 I CB 1.029 38.010 38.000 -1.699 0.000 1.407 202 I HN 0.414 nan 8.210 nan 0.000 0.501 203 R N 8.482 128.779 120.500 -0.338 0.000 2.216 203 R HA 0.440 5.180 4.340 0.667 0.000 0.332 203 R C -1.358 174.746 176.300 -0.326 0.000 1.056 203 R CA -0.227 55.707 56.100 -0.278 0.000 0.901 203 R CB 0.503 30.736 30.300 -0.110 0.000 1.039 203 R HN 0.707 nan 8.270 nan 0.000 0.456 204 M N 5.821 125.156 119.600 -0.442 0.000 1.988 204 M HA 0.161 5.041 4.480 0.667 0.000 0.243 204 M C -1.070 174.865 176.300 -0.608 0.000 0.897 204 M CA -0.613 54.345 55.300 -0.570 0.000 0.935 204 M CB 2.102 34.310 32.600 -0.654 0.000 1.956 204 M HN 0.246 nan 8.290 nan 0.000 0.389 205 V N 1.652 121.284 119.914 -0.471 0.000 2.223 205 V HA 0.123 4.643 4.120 0.667 0.000 0.249 205 V C 0.705 176.615 176.094 -0.306 0.000 1.233 205 V CA 0.270 62.276 62.300 -0.491 0.000 1.131 205 V CB 0.359 31.886 31.823 -0.494 0.000 1.298 205 V HN 0.726 nan 8.190 nan 0.000 0.498 206 T N 3.125 117.456 114.554 -0.373 0.000 2.862 206 T HA 0.626 5.376 4.350 0.667 0.000 0.276 206 T C 0.199 174.751 174.700 -0.246 0.000 0.974 206 T CA -0.144 61.811 62.100 -0.241 0.000 0.966 206 T CB 1.329 69.991 68.868 -0.343 0.000 1.072 206 T HN 0.627 nan 8.240 nan 0.000 0.538 207 S N -0.926 114.598 115.700 -0.293 0.000 2.685 207 S HA 0.927 5.797 4.470 0.667 0.000 0.282 207 S C -0.156 174.040 174.600 -0.672 0.000 1.159 207 S CA -0.172 57.788 58.200 -0.399 0.000 0.833 207 S CB 1.639 64.678 63.200 -0.267 0.000 1.151 207 S HN 1.355 nan 8.310 nan 0.000 0.485 208 G N -0.498 107.611 108.800 -1.152 0.000 2.359 208 G HA2 0.177 4.538 3.960 0.667 0.000 0.303 208 G HA3 0.177 4.538 3.960 0.667 0.000 0.303 208 G C -1.781 172.740 174.900 -0.630 0.000 1.293 208 G CA -0.705 43.599 45.100 -1.325 0.000 0.964 208 G HN 0.871 nan 8.290 nan 0.000 0.531 209 V N 2.418 122.044 119.914 -0.481 0.000 2.313 209 V HA 0.248 4.768 4.120 0.667 0.000 0.252 209 V C 1.342 177.412 176.094 -0.040 0.000 1.112 209 V CA 0.289 62.524 62.300 -0.108 0.000 0.984 209 V CB -0.006 31.649 31.823 -0.280 0.000 1.157 209 V HN 0.811 nan 8.190 nan 0.000 0.493 210 W N 5.323 126.552 121.300 -0.118 0.000 3.139 210 W HA 0.317 5.377 4.660 0.666 0.000 0.260 210 W C 0.297 176.812 176.519 -0.006 0.000 1.312 210 W CA -0.571 56.722 57.345 -0.087 0.000 1.606 210 W CB 0.129 29.548 29.460 -0.068 0.000 1.118 210 W HN 0.346 nan 8.180 nan 0.000 0.675 211 R N 0.049 120.324 120.500 -0.374 0.000 2.855 211 R HA 0.421 5.162 4.340 0.667 0.000 0.266 211 R C -2.600 173.606 176.300 -0.157 0.000 1.034 211 R CA -2.053 53.826 56.100 -0.368 0.000 0.944 211 R CB 1.484 31.407 30.300 -0.629 0.000 1.219 211 R HN -0.395 nan 8.270 nan 0.000 0.474 212 P HA 0.063 nan 4.420 nan 0.000 0.269 212 P C -1.009 176.271 177.300 -0.033 0.000 1.215 212 P CA -0.231 62.842 63.100 -0.045 0.000 0.780 212 P CB 0.591 32.269 31.700 -0.037 0.000 0.898 213 V N 2.032 121.934 119.914 -0.020 0.000 2.448 213 V HA 0.568 5.088 4.120 0.667 0.000 0.295 213 V C 0.287 176.307 176.094 -0.123 0.000 1.025 213 V CA -0.307 61.922 62.300 -0.118 0.000 0.859 213 V CB 1.374 33.216 31.823 0.032 0.000 0.988 213 V HN 0.729 nan 8.190 nan 0.000 0.431 214 T N 2.588 117.021 114.554 -0.201 0.000 2.906 214 T HA 0.810 5.561 4.350 0.667 0.000 0.295 214 T C -1.220 173.347 174.700 -0.222 0.000 1.075 214 T CA -0.782 61.226 62.100 -0.153 0.000 1.005 214 T CB 2.064 70.880 68.868 -0.086 0.000 1.136 214 T HN 0.375 nan 8.240 nan 0.000 0.498 215 L N 1.371 122.472 121.223 -0.204 0.000 2.356 215 L HA 0.697 5.438 4.340 0.667 0.000 0.277 215 L C -0.285 176.434 176.870 -0.251 0.000 0.996 215 L CA -0.727 53.933 54.840 -0.300 0.000 0.822 215 L CB 1.651 43.475 42.059 -0.392 0.000 1.256 215 L HN 0.883 nan 8.230 nan 0.000 0.413 216 R N 4.490 124.814 120.500 -0.293 0.000 2.480 216 R HA 0.536 5.277 4.340 0.667 0.000 0.306 216 R C -1.835 174.391 176.300 -0.123 0.000 0.958 216 R CA -0.463 55.582 56.100 -0.091 0.000 0.861 216 R CB 0.902 31.198 30.300 -0.006 0.000 1.171 216 R HN 0.535 nan 8.270 nan 0.000 0.445 217 F N 5.917 125.945 119.950 0.130 0.000 2.402 217 F HA 0.394 5.321 4.527 0.667 0.000 0.355 217 F C -0.435 175.450 175.800 0.141 0.000 1.123 217 F CA -0.637 57.414 58.000 0.085 0.000 1.021 217 F CB 1.118 40.134 39.000 0.026 0.000 1.160 217 F HN 0.471 nan 8.300 nan 0.000 0.451 218 Y N -0.522 119.855 120.300 0.128 0.000 2.644 218 Y HA 0.669 5.620 4.550 0.668 0.000 0.338 218 Y C -1.473 174.460 175.900 0.056 0.000 1.119 218 Y CA -1.680 56.465 58.100 0.075 0.000 1.060 218 Y CB 1.105 39.585 38.460 0.033 0.000 1.294 218 Y HN 0.301 nan 8.280 nan 0.000 0.472 219 D N 2.849 123.360 120.400 0.185 0.000 2.163 219 D HA 0.359 5.400 4.640 0.667 0.000 0.248 219 D C 0.877 177.295 176.300 0.197 0.000 1.035 219 D CA -0.033 54.021 54.000 0.091 0.000 0.872 219 D CB 1.822 42.666 40.800 0.074 0.000 1.183 219 D HN 0.765 nan 8.370 nan 0.000 0.445 220 I N -0.492 120.141 120.570 0.105 0.000 4.701 220 I HA -0.379 4.192 4.170 0.667 0.000 0.046 220 I C 0.536 176.772 176.117 0.198 0.000 0.626 220 I CA 1.714 63.085 61.300 0.118 0.000 0.723 220 I CB -1.887 36.161 38.000 0.081 0.000 0.675 220 I HN 0.631 nan 8.210 nan 0.000 0.157 221 A N 0.319 123.293 122.820 0.256 0.000 2.610 221 A HA 0.748 5.469 4.320 0.667 0.000 0.291 221 A C -0.107 177.433 177.584 -0.075 0.000 1.086 221 A CA 0.392 52.523 52.037 0.156 0.000 0.677 221 A CB 1.578 20.605 19.000 0.045 0.000 1.278 221 A HN 0.607 nan 8.150 nan 0.000 0.414 222 T N -1.203 113.180 114.554 -0.285 0.000 2.950 222 T HA 0.731 5.481 4.350 0.667 0.000 0.288 222 T C -0.313 174.274 174.700 -0.188 0.000 1.035 222 T CA -0.534 61.343 62.100 -0.373 0.000 1.028 222 T CB 0.921 69.439 68.868 -0.583 0.000 1.109 222 T HN 0.512 nan 8.240 nan 0.000 0.514 223 I N 2.979 123.456 120.570 -0.155 0.000 2.291 223 I HA 0.164 4.734 4.170 0.667 0.000 0.292 223 I C 1.575 177.650 176.117 -0.070 0.000 1.064 223 I CA -0.481 60.762 61.300 -0.094 0.000 1.269 223 I CB 1.255 39.202 38.000 -0.088 0.000 1.418 223 I HN 0.957 nan 8.210 nan 0.000 0.485 224 S N 2.945 118.616 115.700 -0.049 0.000 2.470 224 S HA 0.014 4.884 4.470 0.667 0.000 0.225 224 S C 0.296 174.902 174.600 0.010 0.000 1.006 224 S CA 0.194 58.377 58.200 -0.029 0.000 0.934 224 S CB -0.006 63.179 63.200 -0.024 0.000 0.778 224 S HN 0.720 nan 8.310 nan 0.000 0.517 225 D N -0.976 119.452 120.400 0.047 0.000 2.837 225 D HA 0.447 5.487 4.640 0.667 0.000 0.220 225 D C -2.147 174.291 176.300 0.229 0.000 1.236 225 D CA -0.575 53.488 54.000 0.105 0.000 0.838 225 D CB 1.423 42.272 40.800 0.082 0.000 1.647 225 D HN 0.109 nan 8.370 nan 0.000 0.486 226 Y N 3.969 124.347 120.300 0.130 0.000 2.327 226 Y HA 0.496 5.447 4.550 0.668 0.000 0.325 226 Y C -2.340 173.750 175.900 0.318 0.000 0.999 226 Y CA -1.247 56.969 58.100 0.193 0.000 1.195 226 Y CB 0.638 39.164 38.460 0.110 0.000 1.132 226 Y HN 0.397 nan 8.280 nan 0.000 0.455 227 Y N 6.320 126.681 120.300 0.103 0.000 2.328 227 Y HA 0.658 5.609 4.550 0.667 0.000 0.336 227 Y C -1.639 174.142 175.900 -0.200 0.000 0.960 227 Y CA -1.805 56.206 58.100 -0.148 0.000 1.134 227 Y CB 1.372 39.808 38.460 -0.041 0.000 1.166 227 Y HN 0.345 nan 8.280 nan 0.000 0.464 228 V N 8.335 127.998 119.914 -0.419 0.000 2.334 228 V HA 0.421 4.942 4.120 0.667 0.000 0.267 228 V C 0.008 175.731 176.094 -0.617 0.000 1.040 228 V CA -0.580 61.415 62.300 -0.508 0.000 0.866 228 V CB 0.651 32.069 31.823 -0.675 0.000 1.019 228 V HN 0.680 nan 8.190 nan 0.000 0.468 229 R N 4.161 124.260 120.500 -0.669 0.000 2.295 229 R HA 0.343 5.083 4.340 0.667 0.000 0.324 229 R C -0.129 175.976 176.300 -0.326 0.000 0.968 229 R CA -0.541 55.151 56.100 -0.680 0.000 0.837 229 R CB 1.154 30.941 30.300 -0.855 0.000 1.133 229 R HN 0.776 nan 8.270 nan 0.000 0.450 230 Q N 4.877 124.536 119.800 -0.235 0.000 2.296 230 Q HA 0.087 4.828 4.340 0.667 0.000 0.263 230 Q C 0.357 176.298 176.000 -0.099 0.000 1.026 230 Q CA -0.073 55.646 55.803 -0.141 0.000 0.912 230 Q CB 0.926 29.597 28.738 -0.111 0.000 1.198 230 Q HN 0.751 nan 8.270 nan 0.000 0.407 231 L N 2.270 123.446 121.223 -0.078 0.000 2.127 231 L HA 0.123 4.863 4.340 0.667 0.000 0.203 231 L C 0.600 177.450 176.870 -0.033 0.000 1.080 231 L CA 0.387 55.194 54.840 -0.054 0.000 0.768 231 L CB -0.023 42.009 42.059 -0.046 0.000 0.924 231 L HN 0.692 nan 8.230 nan 0.000 0.444 232 S N -0.778 114.906 115.700 -0.027 0.000 2.552 232 S HA 0.598 5.469 4.470 0.667 0.000 0.272 232 S C -1.329 173.267 174.600 -0.006 0.000 1.150 232 S CA -0.838 57.355 58.200 -0.012 0.000 0.849 232 S CB 2.395 65.590 63.200 -0.007 0.000 1.113 232 S HN 0.002 nan 8.310 nan 0.000 0.458 233 L N 1.968 123.195 121.223 0.007 0.000 2.439 233 L HA 0.853 5.594 4.340 0.667 0.000 0.270 233 L C -0.370 176.517 176.870 0.027 0.000 0.972 233 L CA 0.320 55.170 54.840 0.018 0.000 0.836 233 L CB 1.904 43.980 42.059 0.028 0.000 1.255 233 L HN 1.201 nan 8.230 nan 0.000 0.404 234 T N -0.717 113.853 114.554 0.027 0.000 2.888 234 T HA 0.450 5.201 4.350 0.667 0.000 0.288 234 T C 0.343 175.065 174.700 0.036 0.000 1.063 234 T CA -0.559 61.559 62.100 0.030 0.000 1.010 234 T CB 1.221 70.102 68.868 0.021 0.000 1.214 234 T HN 0.461 nan 8.240 nan 0.000 0.533 235 D N 0.355 120.776 120.400 0.035 0.000 2.182 235 D HA -0.049 4.991 4.640 0.667 0.000 0.201 235 D C 1.655 177.976 176.300 0.036 0.000 0.986 235 D CA 1.292 55.315 54.000 0.038 0.000 0.847 235 D CB -0.045 40.773 40.800 0.030 0.000 0.942 235 D HN 0.671 nan 8.370 nan 0.000 0.467 236 E N -0.408 119.808 120.200 0.027 0.000 2.230 236 E HA 0.066 4.817 4.350 0.667 0.000 0.192 236 E C 0.220 176.834 176.600 0.023 0.000 0.987 236 E CA 0.419 56.833 56.400 0.024 0.000 0.841 236 E CB 0.228 29.938 29.700 0.017 0.000 0.783 236 E HN 0.027 nan 8.360 nan 0.000 0.481 237 N N -0.864 117.849 118.700 0.021 0.000 2.452 237 N HA 0.443 5.583 4.740 0.667 0.000 0.277 237 N C -1.971 173.544 175.510 0.009 0.000 1.078 237 N CA -0.320 52.737 53.050 0.013 0.000 0.947 237 N CB 1.559 40.051 38.487 0.007 0.000 1.655 237 N HN -0.022 nan 8.380 nan 0.000 0.490 238 A N 2.992 125.812 122.820 -0.001 0.000 2.260 238 A HA 0.676 5.396 4.320 0.667 0.000 0.314 238 A C -0.330 177.245 177.584 -0.014 0.000 1.257 238 A CA -0.512 51.517 52.037 -0.012 0.000 0.871 238 A CB 0.408 19.388 19.000 -0.034 0.000 1.166 238 A HN 0.610 nan 8.150 nan 0.000 0.522 239 R N 2.774 123.266 120.500 -0.014 0.000 2.246 239 R HA 0.502 5.242 4.340 0.667 0.000 0.332 239 R C -1.112 175.174 176.300 -0.022 0.000 0.974 239 R CA -0.545 55.546 56.100 -0.014 0.000 0.837 239 R CB 1.045 31.336 30.300 -0.015 0.000 1.145 239 R HN 0.510 nan 8.270 nan 0.000 0.467 240 L N 1.100 122.320 121.223 -0.005 0.000 2.333 240 L HA 0.475 5.216 4.340 0.667 0.000 0.269 240 L C 0.220 177.079 176.870 -0.018 0.000 1.010 240 L CA -0.482 54.349 54.840 -0.015 0.000 0.818 240 L CB 1.807 43.913 42.059 0.078 0.000 1.306 240 L HN 0.481 nan 8.230 nan 0.000 0.430 241 S N 2.038 117.694 115.700 -0.075 0.000 2.530 241 S HA 0.431 5.301 4.470 0.667 0.000 0.322 241 S C -0.504 174.064 174.600 -0.052 0.000 1.085 241 S CA -0.727 57.438 58.200 -0.059 0.000 1.096 241 S CB 0.311 63.458 63.200 -0.089 0.000 0.988 241 S HN 0.582 nan 8.310 nan 0.000 0.466 242 N N 4.881 123.621 118.700 0.065 0.000 2.415 242 N HA 0.134 5.274 4.740 0.667 0.000 0.246 242 N C -0.760 174.848 175.510 0.164 0.000 1.078 242 N CA -0.010 53.157 53.050 0.195 0.000 0.942 242 N CB 0.817 39.485 38.487 0.301 0.000 1.140 242 N HN 0.699 nan 8.380 nan 0.000 0.501 243 E N 2.583 122.883 120.200 0.166 0.000 2.156 243 E HA 0.399 5.149 4.350 0.667 0.000 0.279 243 E C -0.522 176.248 176.600 0.284 0.000 0.965 243 E CA -0.503 56.007 56.400 0.184 0.000 0.789 243 E CB 1.666 31.468 29.700 0.170 0.000 1.098 243 E HN 0.301 nan 8.360 nan 0.000 0.397 244 L N 3.784 125.120 121.223 0.188 0.000 2.365 244 L HA 0.534 5.274 4.340 0.667 0.000 0.273 244 L C -0.532 176.396 176.870 0.097 0.000 1.000 244 L CA -0.549 54.373 54.840 0.137 0.000 0.819 244 L CB 1.650 43.716 42.059 0.012 0.000 1.284 244 L HN 0.444 nan 8.230 nan 0.000 0.418 245 I N 3.238 123.850 120.570 0.070 0.000 2.389 245 I HA 0.449 5.020 4.170 0.667 0.000 0.288 245 I C -0.877 175.213 176.117 -0.045 0.000 0.999 245 I CA -0.776 60.515 61.300 -0.014 0.000 1.129 245 I CB 1.871 39.880 38.000 0.014 0.000 1.288 245 I HN 0.182 nan 8.210 nan 0.000 0.444 246 V N 5.227 125.090 119.914 -0.086 0.000 2.448 246 V HA 0.309 4.830 4.120 0.667 0.000 0.295 246 V C -0.307 175.741 176.094 -0.076 0.000 1.025 246 V CA -0.713 61.543 62.300 -0.074 0.000 0.859 246 V CB 1.893 33.679 31.823 -0.063 0.000 0.988 246 V HN 0.695 nan 8.190 nan 0.000 0.431 247 N N 3.708 122.372 118.700 -0.060 0.000 2.469 247 N HA 0.293 5.433 4.740 0.667 0.000 0.253 247 N C -0.499 175.020 175.510 0.014 0.000 0.970 247 N CA -0.327 52.704 53.050 -0.031 0.000 0.940 247 N CB 1.272 39.746 38.487 -0.022 0.000 1.128 247 N HN 0.800 nan 8.380 nan 0.000 0.503 248 Q N 3.639 123.455 119.800 0.026 0.000 2.256 248 Q HA 0.307 5.048 4.340 0.667 0.000 0.254 248 Q C -0.048 175.999 176.000 0.080 0.000 0.916 248 Q CA -0.359 55.481 55.803 0.062 0.000 0.932 248 Q CB 1.070 29.828 28.738 0.035 0.000 1.207 248 Q HN 0.749 nan 8.270 nan 0.000 0.426 249 I N 4.154 124.795 120.570 0.118 0.000 3.968 249 I HA 0.077 4.648 4.170 0.667 0.000 0.328 249 I C -0.276 175.862 176.117 0.034 0.000 1.290 249 I CA 0.070 61.422 61.300 0.088 0.000 1.163 249 I CB 1.176 39.249 38.000 0.121 0.000 1.024 249 I HN 0.536 nan 8.210 nan 0.000 0.413 250 V N -2.378 117.555 119.914 0.031 0.000 2.713 250 V HA 0.538 5.059 4.120 0.667 0.000 0.307 250 V C -1.790 174.313 176.094 0.015 0.000 1.052 250 V CA -1.406 60.901 62.300 0.013 0.000 0.967 250 V CB 0.576 32.405 31.823 0.010 0.000 1.019 250 V HN -0.085 nan 8.190 nan 0.000 0.459 251 P HA 0.039 nan 4.420 nan 0.000 0.221 251 P C 0.251 177.557 177.300 0.010 0.000 1.150 251 P CA 0.774 63.880 63.100 0.010 0.000 0.800 251 P CB 0.123 31.828 31.700 0.007 0.000 0.787 252 Q N 0.178 119.983 119.800 0.009 0.000 2.500 252 Q HA 0.213 4.953 4.340 0.667 0.000 0.215 252 Q C 0.128 176.134 176.000 0.010 0.000 1.062 252 Q CA 0.167 55.975 55.803 0.009 0.000 0.996 252 Q CB 0.137 28.880 28.738 0.008 0.000 1.239 252 Q HN 0.010 nan 8.270 nan 0.000 0.578 253 K N 0.931 121.336 120.400 0.009 0.000 2.276 253 K HA 0.320 5.041 4.320 0.667 0.000 0.285 253 K C -0.733 175.872 176.600 0.008 0.000 1.062 253 K CA -0.184 56.108 56.287 0.008 0.000 0.918 253 K CB 0.646 33.151 32.500 0.007 0.000 1.055 253 K HN 0.360 nan 8.250 nan 0.000 0.477 254 I N 5.813 126.389 120.570 0.009 0.000 2.354 254 I HA 0.246 4.816 4.170 0.667 0.000 0.286 254 I C -2.362 173.759 176.117 0.006 0.000 1.007 254 I CA -3.049 58.256 61.300 0.009 0.000 1.167 254 I CB 1.036 39.043 38.000 0.013 0.000 1.320 254 I HN 0.265 nan 8.210 nan 0.000 0.458 255 P HA 0.334 nan 4.420 nan 0.000 0.271 255 P C -0.527 176.774 177.300 0.002 0.000 1.220 255 P CA 0.038 63.139 63.100 0.003 0.000 0.768 255 P CB 1.116 32.818 31.700 0.003 0.000 0.848 256 A N 2.216 125.036 122.820 -0.001 0.000 2.593 256 A HA 0.635 5.355 4.320 0.667 0.000 0.290 256 A C -1.338 176.242 177.584 -0.007 0.000 1.126 256 A CA -0.559 51.476 52.037 -0.003 0.000 0.695 256 A CB 1.374 20.372 19.000 -0.004 0.000 1.290 256 A HN 0.471 nan 8.150 nan 0.000 0.414 257 E N 0.718 120.911 120.200 -0.011 0.000 2.191 257 E HA 0.557 5.308 4.350 0.667 0.000 0.263 257 E C -1.542 175.044 176.600 -0.024 0.000 0.881 257 E CA -0.521 55.870 56.400 -0.015 0.000 0.757 257 E CB 1.587 31.279 29.700 -0.013 0.000 1.147 257 E HN 0.443 nan 8.360 nan 0.000 0.414 258 V N 5.363 125.260 119.914 -0.027 0.000 2.498 258 V HA 0.415 4.936 4.120 0.667 0.000 0.279 258 V C 0.140 176.209 176.094 -0.043 0.000 1.048 258 V CA -0.318 61.956 62.300 -0.042 0.000 0.967 258 V CB 0.992 32.788 31.823 -0.044 0.000 0.988 258 V HN 0.646 nan 8.190 nan 0.000 0.473 259 R N 3.573 124.039 120.500 -0.057 0.000 2.575 259 R HA 0.709 5.450 4.340 0.667 0.000 0.293 259 R C -1.726 174.537 176.300 -0.061 0.000 0.983 259 R CA -0.738 55.333 56.100 -0.049 0.000 0.887 259 R CB 2.347 32.623 30.300 -0.039 0.000 1.184 259 R HN 0.463 nan 8.270 nan 0.000 0.445 260 V N 3.147 123.036 119.914 -0.043 0.000 2.409 260 V HA 0.268 4.789 4.120 0.667 0.000 0.291 260 V C -0.215 175.851 176.094 -0.047 0.000 1.020 260 V CA -0.894 61.389 62.300 -0.028 0.000 0.848 260 V CB 1.599 33.436 31.823 0.023 0.000 0.990 260 V HN 0.685 nan 8.190 nan 0.000 0.430 261 N N 4.140 122.812 118.700 -0.047 0.000 2.408 261 N HA 0.458 5.598 4.740 0.667 0.000 0.280 261 N C -1.288 174.133 175.510 -0.148 0.000 1.002 261 N CA -0.226 52.778 53.050 -0.077 0.000 0.907 261 N CB 2.147 40.611 38.487 -0.040 0.000 1.161 261 N HN 0.388 nan 8.380 nan 0.000 0.488 262 V N 2.343 122.106 119.914 -0.252 0.000 2.370 262 V HA 0.447 4.968 4.120 0.667 0.000 0.283 262 V C -0.040 175.976 176.094 -0.129 0.000 1.023 262 V CA -0.452 61.592 62.300 -0.426 0.000 0.857 262 V CB 1.177 32.572 31.823 -0.712 0.000 0.985 262 V HN 0.658 nan 8.190 nan 0.000 0.443 263 S N 4.201 119.896 115.700 -0.008 0.000 2.569 263 S HA 0.829 5.700 4.470 0.667 0.000 0.280 263 S C -1.395 173.254 174.600 0.082 0.000 1.111 263 S CA -0.504 57.723 58.200 0.045 0.000 0.887 263 S CB 2.097 65.311 63.200 0.025 0.000 1.095 263 S HN 0.541 nan 8.310 nan 0.000 0.476 264 L N 3.299 124.528 121.223 0.010 0.000 2.439 264 L HA 0.592 5.333 4.340 0.667 0.000 0.270 264 L C -0.015 176.819 176.870 -0.061 0.000 0.972 264 L CA 0.107 54.887 54.840 -0.100 0.000 0.836 264 L CB 1.103 43.018 42.059 -0.240 0.000 1.255 264 L HN 0.793 nan 8.230 nan 0.000 0.404 265 N N 3.907 122.575 118.700 -0.054 0.000 2.708 265 N HA -0.186 4.955 4.740 0.667 0.000 0.249 265 N C 0.844 176.346 175.510 -0.013 0.000 1.097 265 N CA 1.947 54.978 53.050 -0.032 0.000 0.710 265 N CB -0.970 37.491 38.487 -0.043 0.000 1.032 265 N HN 1.431 nan 8.380 nan 0.000 0.551 266 G N -3.313 105.485 108.800 -0.003 0.000 2.175 266 G HA2 -0.245 4.115 3.960 0.667 0.000 0.244 266 G HA3 -0.245 4.115 3.960 0.667 0.000 0.244 266 G C 0.138 175.039 174.900 0.002 0.000 0.982 266 G CA 0.500 45.602 45.100 0.004 0.000 0.641 266 G HN 0.749 nan 8.290 nan 0.000 0.527 267 T N 2.202 116.755 114.554 -0.001 0.000 2.770 267 T HA 0.551 5.301 4.350 0.667 0.000 0.283 267 T C 0.389 175.093 174.700 0.006 0.000 0.988 267 T CA 0.173 62.274 62.100 0.001 0.000 0.957 267 T CB 1.590 70.457 68.868 -0.001 0.000 0.930 267 T HN 0.267 nan 8.240 nan 0.000 0.443 268 T N 2.854 117.409 114.554 0.002 0.000 2.905 268 T HA 0.062 4.812 4.350 0.667 0.000 0.299 268 T C 1.380 176.083 174.700 0.005 0.000 1.024 268 T CA -0.108 61.990 62.100 -0.003 0.000 1.151 268 T CB 0.509 69.370 68.868 -0.011 0.000 0.987 268 T HN 0.381 nan 8.240 nan 0.000 0.535 269 V N 1.977 121.894 119.914 0.006 0.000 3.048 269 V HA 0.268 4.789 4.120 0.667 0.000 0.241 269 V C 1.090 177.177 176.094 -0.012 0.000 1.129 269 V CA 0.686 63.002 62.300 0.026 0.000 1.128 269 V CB 0.878 32.761 31.823 0.100 0.000 0.849 269 V HN 0.990 nan 8.190 nan 0.000 0.475 270 T N -0.553 113.969 114.554 -0.052 0.000 2.893 270 T HA 0.435 5.186 4.350 0.667 0.000 0.337 270 T C -2.119 172.530 174.700 -0.086 0.000 1.587 270 T CA -0.416 61.645 62.100 -0.065 0.000 1.066 270 T CB 2.138 70.961 68.868 -0.075 0.000 1.414 270 T HN 0.302 nan 8.240 nan 0.000 0.488 271 E N 1.649 121.812 120.200 -0.062 0.000 2.278 271 E HA 0.630 5.380 4.350 0.667 0.000 0.272 271 E C -1.124 175.450 176.600 -0.042 0.000 0.890 271 E CA -0.812 55.554 56.400 -0.056 0.000 0.770 271 E CB 1.843 31.520 29.700 -0.040 0.000 1.212 271 E HN 0.638 nan 8.360 nan 0.000 0.415 272 V N -0.707 119.184 119.914 -0.039 0.000 2.914 272 V HA 1.027 5.547 4.120 0.667 0.000 0.314 272 V C -0.567 175.514 176.094 -0.022 0.000 1.084 272 V CA -0.474 61.810 62.300 -0.026 0.000 0.963 272 V CB 1.100 32.912 31.823 -0.019 0.000 1.025 272 V HN 0.678 nan 8.190 nan 0.000 0.432 273 K N 0.310 120.699 120.400 -0.017 0.000 2.466 273 K HA 1.018 5.739 4.320 0.667 0.000 0.260 273 K C -0.373 176.220 176.600 -0.012 0.000 1.011 273 K CA -0.276 56.001 56.287 -0.017 0.000 0.871 273 K CB 1.560 34.050 32.500 -0.017 0.000 1.404 273 K HN 2.270 nan 8.250 nan 0.000 0.450 274 Q N 0.903 120.695 119.800 -0.013 0.000 2.313 274 Q HA 0.597 5.338 4.340 0.667 0.000 0.260 274 Q C -0.849 175.146 176.000 -0.009 0.000 0.972 274 Q CA -0.796 55.002 55.803 -0.008 0.000 0.886 274 Q CB 1.630 30.364 28.738 -0.006 0.000 1.373 274 Q HN 0.966 nan 8.270 nan 0.000 0.416 275 Q N 0.830 120.626 119.800 -0.006 0.000 2.288 275 Q HA 0.695 5.435 4.340 0.667 0.000 0.254 275 Q C -0.242 175.756 176.000 -0.002 0.000 0.932 275 Q CA 0.281 56.082 55.803 -0.004 0.000 0.902 275 Q CB 1.671 30.408 28.738 -0.003 0.000 1.203 275 Q HN 1.612 nan 8.270 nan 0.000 0.415 276 V N 0.046 119.958 119.914 -0.002 0.000 3.160 276 V HA 0.814 5.334 4.120 0.667 0.000 0.310 276 V C -0.774 175.321 176.094 0.001 0.000 1.181 276 V CA -0.772 61.528 62.300 0.000 0.000 1.047 276 V CB 2.340 34.163 31.823 -0.001 0.000 1.068 276 V HN 0.713 nan 8.190 nan 0.000 0.441 277 T N 3.442 117.998 114.554 0.004 0.000 2.815 277 T HA 0.618 5.368 4.350 0.667 0.000 0.289 277 T C -0.376 174.327 174.700 0.005 0.000 1.000 277 T CA -0.218 61.884 62.100 0.004 0.000 0.958 277 T CB 0.827 69.698 68.868 0.006 0.000 0.944 277 T HN 0.662 nan 8.240 nan 0.000 0.442 278 L N 3.710 124.935 121.223 0.004 0.000 2.349 278 L HA 0.369 5.110 4.340 0.667 0.000 0.275 278 L C 0.504 177.378 176.870 0.006 0.000 1.115 278 L CA -0.780 54.061 54.840 0.003 0.000 0.820 278 L CB 0.666 42.726 42.059 0.003 0.000 1.135 278 L HN 0.384 nan 8.230 nan 0.000 0.445 279 Q N 3.388 123.191 119.800 0.005 0.000 2.235 279 Q HA 0.430 5.170 4.340 0.667 0.000 0.256 279 Q C -2.312 173.693 176.000 0.008 0.000 0.951 279 Q CA -2.273 53.535 55.803 0.008 0.000 0.890 279 Q CB 1.249 29.993 28.738 0.010 0.000 1.279 279 Q HN 0.279 nan 8.270 nan 0.000 0.444 280 P HA 0.073 nan 4.420 nan 0.000 0.266 280 P C 0.536 177.843 177.300 0.012 0.000 1.193 280 P CA 0.971 64.081 63.100 0.016 0.000 0.770 280 P CB 0.376 32.086 31.700 0.016 0.000 0.836 281 G N 2.165 110.974 108.800 0.015 0.000 2.512 281 G HA2 -0.195 4.166 3.960 0.667 0.000 0.240 281 G HA3 -0.195 4.166 3.960 0.667 0.000 0.240 281 G C -0.723 174.166 174.900 -0.019 0.000 1.246 281 G CA -0.643 44.461 45.100 0.007 0.000 0.919 281 G HN 0.537 nan 8.290 nan 0.000 0.577 282 I N 2.462 123.008 120.570 -0.041 0.000 2.474 282 I HA 0.335 4.905 4.170 0.667 0.000 0.287 282 I C 0.351 176.369 176.117 -0.166 0.000 1.048 282 I CA -0.214 61.018 61.300 -0.113 0.000 1.383 282 I CB 0.751 38.676 38.000 -0.124 0.000 1.412 282 I HN 0.497 nan 8.210 nan 0.000 0.531 283 N N 4.841 123.398 118.700 -0.239 0.000 2.225 283 N HA 0.384 5.524 4.740 0.667 0.000 0.298 283 N C -1.137 174.183 175.510 -0.316 0.000 1.076 283 N CA -0.669 52.264 53.050 -0.194 0.000 0.792 283 N CB 2.001 40.440 38.487 -0.080 0.000 1.498 283 N HN 0.516 nan 8.380 nan 0.000 0.474 284 H N 1.096 120.178 119.070 0.020 0.000 2.551 284 H HA 0.514 5.471 4.556 0.667 0.000 0.321 284 H C -0.454 174.886 175.328 0.021 0.000 1.028 284 H CA -0.291 55.773 56.048 0.026 0.000 1.215 284 H CB 1.038 30.815 29.762 0.026 0.000 1.414 284 H HN 0.349 nan 8.280 nan 0.000 0.480 285 I N 2.376 123.017 120.570 0.117 0.000 2.509 285 I HA 0.433 5.003 4.170 0.667 0.000 0.293 285 I C -0.354 175.809 176.117 0.076 0.000 1.020 285 I CA -0.564 60.778 61.300 0.070 0.000 1.088 285 I CB 2.350 40.364 38.000 0.024 0.000 1.267 285 I HN 0.456 nan 8.210 nan 0.000 0.430 286 T N 6.360 120.948 114.554 0.057 0.000 2.937 286 T HA 0.649 5.399 4.350 0.667 0.000 0.297 286 T C -0.788 173.932 174.700 0.033 0.000 0.991 286 T CA -0.439 61.691 62.100 0.050 0.000 0.990 286 T CB 1.226 70.116 68.868 0.037 0.000 0.991 286 T HN 0.142 nan 8.240 nan 0.000 0.440 287 L N 5.408 126.654 121.223 0.038 0.000 2.356 287 L HA 0.552 5.293 4.340 0.667 0.000 0.277 287 L C -2.406 174.485 176.870 0.035 0.000 0.996 287 L CA -2.117 52.740 54.840 0.029 0.000 0.822 287 L CB 1.204 43.278 42.059 0.025 0.000 1.256 287 L HN 0.335 nan 8.230 nan 0.000 0.413 288 P HA 0.536 nan 4.420 nan 0.000 0.274 288 P C -1.204 176.109 177.300 0.022 0.000 1.231 288 P CA -0.487 62.623 63.100 0.016 0.000 0.790 288 P CB 1.239 32.941 31.700 0.003 0.000 0.951 289 A N 1.229 124.066 122.820 0.028 0.000 2.549 289 A HA 0.590 5.310 4.320 0.667 0.000 0.297 289 A C -1.237 176.350 177.584 0.004 0.000 1.061 289 A CA -0.564 51.480 52.037 0.011 0.000 0.690 289 A CB 1.382 20.392 19.000 0.016 0.000 1.287 289 A HN 0.516 nan 8.150 nan 0.000 0.402 290 E N 0.590 120.777 120.200 -0.021 0.000 2.266 290 E HA 0.561 5.311 4.350 0.667 0.000 0.268 290 E C -1.453 175.121 176.600 -0.043 0.000 0.879 290 E CA -0.920 55.466 56.400 -0.023 0.000 0.762 290 E CB 2.656 32.348 29.700 -0.015 0.000 1.199 290 E HN 0.323 nan 8.360 nan 0.000 0.422 291 V N 2.332 122.217 119.914 -0.049 0.000 2.350 291 V HA 0.229 4.750 4.120 0.667 0.000 0.285 291 V C 0.225 176.312 176.094 -0.010 0.000 1.014 291 V CA -0.757 61.512 62.300 -0.050 0.000 0.831 291 V CB 1.328 33.072 31.823 -0.133 0.000 1.000 291 V HN 0.828 nan 8.190 nan 0.000 0.433 292 T N 1.241 115.800 114.554 0.009 0.000 2.910 292 T HA 0.351 5.102 4.350 0.667 0.000 0.293 292 T C 0.389 175.113 174.700 0.041 0.000 1.015 292 T CA -0.312 61.800 62.100 0.020 0.000 1.094 292 T CB 0.156 69.034 68.868 0.017 0.000 0.968 292 T HN 0.786 nan 8.240 nan 0.000 0.521 293 N N 1.023 119.748 118.700 0.043 0.000 2.714 293 N HA -0.120 5.020 4.740 0.667 0.000 0.253 293 N C -2.555 173.010 175.510 0.092 0.000 1.024 293 N CA 0.157 53.241 53.050 0.057 0.000 0.726 293 N CB -1.032 37.485 38.487 0.050 0.000 0.908 293 N HN 0.649 nan 8.380 nan 0.000 0.542 294 P HA 0.041 nan 4.420 nan 0.000 0.269 294 P C -0.151 177.276 177.300 0.212 0.000 1.209 294 P CA -0.022 63.175 63.100 0.162 0.000 0.776 294 P CB 0.887 32.642 31.700 0.091 0.000 0.876 295 V N 4.502 124.617 119.914 0.336 0.000 2.368 295 V HA 0.204 4.724 4.120 0.667 0.000 0.266 295 V C 1.234 177.501 176.094 0.289 0.000 1.045 295 V CA -0.420 62.023 62.300 0.239 0.000 0.899 295 V CB -0.166 31.742 31.823 0.141 0.000 1.006 295 V HN 0.469 nan 8.190 nan 0.000 0.470 296 R N 3.085 123.714 120.500 0.216 0.000 2.590 296 R HA 0.091 4.832 4.340 0.667 0.000 0.274 296 R C -0.321 176.149 176.300 0.283 0.000 1.061 296 R CA -0.350 55.900 56.100 0.249 0.000 1.081 296 R CB 0.822 31.239 30.300 0.195 0.000 0.984 296 R HN 0.772 nan 8.270 nan 0.000 0.448 297 W N 4.914 126.295 121.300 0.136 0.000 2.308 297 W HA 0.069 5.130 4.660 0.668 0.000 0.324 297 W C -0.713 175.877 176.519 0.118 0.000 1.387 297 W CA 0.028 57.440 57.345 0.111 0.000 1.250 297 W CB 0.575 30.096 29.460 0.103 0.000 1.257 297 W HN 0.265 nan 8.180 nan 0.000 0.554 298 M N 8.986 128.404 119.600 -0.303 0.000 2.602 298 M HA 0.381 5.261 4.480 0.667 0.000 0.312 298 M C -2.134 173.700 176.300 -0.776 0.000 1.181 298 M CA -2.403 52.754 55.300 -0.238 0.000 0.910 298 M CB 1.882 34.468 32.600 -0.022 0.000 1.723 298 M HN 0.253 nan 8.290 nan 0.000 0.459 299 P HA 0.148 nan 4.420 nan 0.000 0.276 299 P C -0.647 176.450 177.300 -0.338 0.000 1.252 299 P CA -0.501 62.276 63.100 -0.538 0.000 0.802 299 P CB 0.355 31.864 31.700 -0.318 0.000 1.035 300 N N 0.126 118.656 118.700 -0.283 0.000 2.365 300 N HA 0.161 5.301 4.740 0.667 0.000 0.265 300 N C 1.389 176.813 175.510 -0.144 0.000 1.288 300 N CA 2.146 55.092 53.050 -0.173 0.000 0.869 300 N CB -0.750 37.661 38.487 -0.126 0.000 1.071 300 N HN 0.751 nan 8.380 nan 0.000 0.480 301 G N 2.498 111.271 108.800 -0.046 0.000 2.213 301 G HA2 -0.224 4.136 3.960 0.667 0.000 0.226 301 G HA3 -0.224 4.136 3.960 0.667 0.000 0.226 301 G C 0.319 175.368 174.900 0.248 0.000 0.992 301 G CA 0.080 45.208 45.100 0.047 0.000 0.632 301 G HN 0.575 nan 8.290 nan 0.000 0.511 302 W N 1.485 122.737 121.300 -0.080 0.000 3.005 302 W HA 0.576 5.637 4.660 0.668 0.000 0.374 302 W C 1.256 177.726 176.519 -0.083 0.000 1.076 302 W CA 0.355 57.661 57.345 -0.066 0.000 1.794 302 W CB 0.212 29.640 29.460 -0.054 0.000 1.113 302 W HN 1.180 nan 8.180 nan 0.000 0.584 303 G N 0.084 108.935 108.800 0.086 0.000 2.280 303 G HA2 0.035 4.395 3.960 0.667 0.000 0.277 303 G HA3 0.035 4.395 3.960 0.667 0.000 0.277 303 G C -0.399 174.459 174.900 -0.070 0.000 1.288 303 G CA -0.456 44.649 45.100 0.008 0.000 1.075 303 G HN 0.063 nan 8.290 nan 0.000 0.480 304 T N -0.124 114.382 114.554 -0.080 0.000 2.845 304 T HA 0.652 5.402 4.350 0.667 0.000 0.288 304 T C -2.148 172.414 174.700 -0.231 0.000 0.980 304 T CA -1.108 60.923 62.100 -0.116 0.000 1.071 304 T CB 2.075 70.906 68.868 -0.062 0.000 0.941 304 T HN 0.516 nan 8.240 nan 0.000 0.487 305 P HA 0.167 nan 4.420 nan 0.000 0.226 305 P C -0.158 177.080 177.300 -0.103 0.000 1.783 305 P CA -0.400 62.345 63.100 -0.591 0.000 0.980 305 P CB -0.959 30.474 31.700 -0.445 0.000 1.967 306 T N 2.322 116.877 114.554 0.001 0.000 2.908 306 T HA 0.120 4.871 4.350 0.667 0.000 0.301 306 T C 0.427 175.294 174.700 0.279 0.000 1.019 306 T CA 0.594 62.757 62.100 0.106 0.000 1.152 306 T CB 0.175 69.079 68.868 0.061 0.000 0.966 306 T HN 0.188 nan 8.240 nan 0.000 0.540 307 L N 3.556 124.876 121.223 0.162 0.000 2.404 307 L HA 0.416 5.157 4.340 0.667 0.000 0.272 307 L C -0.620 176.320 176.870 0.117 0.000 0.980 307 L CA -1.049 53.920 54.840 0.214 0.000 0.836 307 L CB 1.224 43.399 42.059 0.194 0.000 1.238 307 L HN 0.658 nan 8.230 nan 0.000 0.408 308 Y N 1.438 121.859 120.300 0.203 0.000 2.326 308 Y HA 0.098 5.048 4.550 0.668 0.000 0.333 308 Y C 0.534 176.601 175.900 0.278 0.000 1.240 308 Y CA -0.039 58.209 58.100 0.247 0.000 1.365 308 Y CB 0.719 39.427 38.460 0.414 0.000 1.289 308 Y HN 0.436 nan 8.280 nan 0.000 0.548 309 D N 3.038 123.665 120.400 0.379 0.000 2.329 309 D HA 0.210 5.250 4.640 0.667 0.000 0.232 309 D C -1.151 175.379 176.300 0.384 0.000 1.088 309 D CA -0.047 54.154 54.000 0.334 0.000 0.835 309 D CB 0.787 41.692 40.800 0.174 0.000 1.078 309 D HN 0.326 nan 8.370 nan 0.000 0.495 310 F N 1.057 121.097 119.950 0.149 0.000 2.411 310 F HA 0.199 5.126 4.527 0.667 0.000 0.352 310 F C 0.834 176.758 175.800 0.207 0.000 1.123 310 F CA -0.733 57.372 58.000 0.175 0.000 1.044 310 F CB 1.764 40.879 39.000 0.190 0.000 1.135 310 F HN 0.090 nan 8.300 nan 0.000 0.461 311 S N 3.532 119.396 115.700 0.273 0.000 2.552 311 S HA 0.821 5.692 4.470 0.667 0.000 0.314 311 S C -0.700 173.932 174.600 0.052 0.000 1.099 311 S CA -0.518 57.779 58.200 0.163 0.000 1.070 311 S CB 0.999 64.241 63.200 0.070 0.000 0.998 311 S HN 0.730 nan 8.310 nan 0.000 0.474 312 A N 4.468 127.213 122.820 -0.125 0.000 2.305 312 A HA 0.735 5.455 4.320 0.667 0.000 0.322 312 A C -0.355 177.099 177.584 -0.217 0.000 1.187 312 A CA -0.607 51.231 52.037 -0.331 0.000 0.825 312 A CB 0.836 19.298 19.000 -0.896 0.000 1.164 312 A HN 0.861 nan 8.150 nan 0.000 0.498 313 Q N 1.233 120.942 119.800 -0.152 0.000 2.372 313 Q HA 0.483 5.223 4.340 0.667 0.000 0.273 313 Q C -1.342 174.605 176.000 -0.089 0.000 1.078 313 Q CA -0.808 54.936 55.803 -0.099 0.000 0.806 313 Q CB 2.444 31.145 28.738 -0.061 0.000 1.332 313 Q HN 0.618 nan 8.270 nan 0.000 0.435 314 I N 1.910 122.439 120.570 -0.070 0.000 2.354 314 I HA 0.482 5.052 4.170 0.667 0.000 0.286 314 I C -0.287 175.813 176.117 -0.028 0.000 1.007 314 I CA -0.422 60.849 61.300 -0.050 0.000 1.167 314 I CB 0.766 38.738 38.000 -0.046 0.000 1.320 314 I HN 0.574 nan 8.210 nan 0.000 0.458 315 A N 6.035 128.841 122.820 -0.023 0.000 2.317 315 A HA 0.642 5.363 4.320 0.667 0.000 0.327 315 A C -0.579 177.002 177.584 -0.006 0.000 1.178 315 A CA -0.318 51.712 52.037 -0.012 0.000 0.817 315 A CB 0.859 19.851 19.000 -0.013 0.000 1.189 315 A HN 0.762 nan 8.150 nan 0.000 0.489 316 C N 2.937 122.237 119.300 0.001 0.000 2.437 316 C HA 0.711 5.572 4.460 0.667 0.000 0.307 316 C C 1.281 176.273 174.990 0.004 0.000 1.093 316 C CA 0.235 59.256 59.018 0.004 0.000 1.463 316 C CB -0.399 27.348 27.740 0.011 0.000 1.926 316 C HN 1.830 nan 8.230 nan 0.000 0.420 317 G N 3.962 112.763 108.800 0.002 0.000 2.574 317 G HA2 -0.261 4.100 3.960 0.667 0.000 0.301 317 G HA3 -0.261 4.100 3.960 0.667 0.000 0.301 317 G C 0.541 175.442 174.900 0.001 0.000 1.166 317 G CA 0.910 46.011 45.100 0.002 0.000 0.971 317 G HN 0.548 nan 8.290 nan 0.000 0.542 318 D N 1.591 121.993 120.400 0.002 0.000 2.354 318 D HA 0.108 5.149 4.640 0.667 0.000 0.209 318 D C 1.391 177.693 176.300 0.003 0.000 1.015 318 D CA 0.373 54.374 54.000 0.002 0.000 0.867 318 D CB 0.285 41.086 40.800 0.002 0.000 0.933 318 D HN 0.404 nan 8.370 nan 0.000 0.520 319 R N 1.123 121.626 120.500 0.006 0.000 2.297 319 R HA 0.317 5.057 4.340 0.667 0.000 0.308 319 R C 0.063 176.367 176.300 0.007 0.000 1.029 319 R CA -0.602 55.504 56.100 0.009 0.000 0.929 319 R CB 1.734 32.043 30.300 0.015 0.000 1.046 319 R HN -0.123 nan 8.270 nan 0.000 0.461 320 I N 5.209 125.782 120.570 0.005 0.000 2.329 320 I HA -0.035 4.535 4.170 0.667 0.000 0.295 320 I C 1.636 177.759 176.117 0.011 0.000 1.109 320 I CA 0.250 61.550 61.300 0.000 0.000 1.297 320 I CB 0.681 38.678 38.000 -0.006 0.000 1.433 320 I HN 0.588 nan 8.210 nan 0.000 0.509 321 V N 3.522 123.445 119.914 0.015 0.000 2.951 321 V HA 0.420 4.940 4.120 0.667 0.000 0.255 321 V C 0.834 176.944 176.094 0.026 0.000 1.088 321 V CA 0.638 62.962 62.300 0.039 0.000 1.109 321 V CB -0.188 31.670 31.823 0.057 0.000 0.724 321 V HN 0.723 nan 8.190 nan 0.000 0.471 322 A N -0.097 122.715 122.820 -0.012 0.000 2.488 322 A HA 0.739 5.459 4.320 0.667 0.000 0.295 322 A C -0.968 176.579 177.584 -0.061 0.000 1.045 322 A CA -0.419 51.590 52.037 -0.048 0.000 0.703 322 A CB 1.884 20.837 19.000 -0.077 0.000 1.271 322 A HN 0.254 nan 8.150 nan 0.000 0.400 323 E N 1.102 121.264 120.200 -0.063 0.000 2.340 323 E HA 0.657 5.407 4.350 0.667 0.000 0.273 323 E C -1.603 174.950 176.600 -0.078 0.000 0.891 323 E CA -0.378 55.979 56.400 -0.072 0.000 0.757 323 E CB 2.280 31.955 29.700 -0.042 0.000 1.231 323 E HN 0.714 nan 8.360 nan 0.000 0.439 324 Q N 1.021 120.765 119.800 -0.092 0.000 2.340 324 Q HA 0.506 5.247 4.340 0.667 0.000 0.276 324 Q C -1.904 174.096 176.000 0.000 0.000 1.048 324 Q CA -0.436 55.330 55.803 -0.061 0.000 0.832 324 Q CB 2.032 30.743 28.738 -0.046 0.000 1.373 324 Q HN 0.336 nan 8.270 nan 0.000 0.409 325 S N 2.347 118.017 115.700 -0.050 0.000 2.566 325 S HA 0.718 5.589 4.470 0.667 0.000 0.298 325 S C -1.411 173.050 174.600 -0.232 0.000 1.083 325 S CA -0.676 57.523 58.200 -0.002 0.000 0.978 325 S CB 0.875 64.099 63.200 0.040 0.000 1.073 325 S HN 0.581 nan 8.310 nan 0.000 0.491 326 H N 1.139 120.262 119.070 0.089 0.000 2.768 326 H HA 0.421 5.377 4.556 0.667 0.000 0.371 326 H C -0.478 174.848 175.328 -0.004 0.000 1.151 326 H CA -0.683 55.321 56.048 -0.074 0.000 1.165 326 H CB 1.377 30.966 29.762 -0.289 0.000 1.722 326 H HN 0.433 nan 8.280 nan 0.000 0.543 327 R N 1.896 122.460 120.500 0.107 0.000 2.357 327 R HA 0.434 5.174 4.340 0.667 0.000 0.296 327 R C -0.292 176.009 176.300 0.000 0.000 1.052 327 R CA -0.588 55.573 56.100 0.102 0.000 0.988 327 R CB 1.017 31.376 30.300 0.098 0.000 1.025 327 R HN 0.326 nan 8.270 nan 0.000 0.469 328 I N 1.493 122.092 120.570 0.049 0.000 2.499 328 I HA 0.296 4.867 4.170 0.667 0.000 0.288 328 I C 0.358 176.518 176.117 0.072 0.000 1.048 328 I CA -0.539 60.694 61.300 -0.111 0.000 1.062 328 I CB 1.771 39.486 38.000 -0.476 0.000 1.238 328 I HN 0.716 nan 8.210 nan 0.000 0.426 329 G N 6.645 115.405 108.800 -0.067 0.000 2.372 329 G HA2 0.648 5.009 3.960 0.667 0.000 0.323 329 G HA3 0.648 5.009 3.960 0.667 0.000 0.323 329 G C -0.654 174.259 174.900 0.023 0.000 1.152 329 G CA -0.504 44.622 45.100 0.043 0.000 0.906 329 G HN 0.468 nan 8.290 nan 0.000 0.460 330 L N 4.039 125.384 121.223 0.204 0.000 2.260 330 L HA 0.652 5.392 4.340 0.667 0.000 0.289 330 L C 0.383 177.362 176.870 0.182 0.000 1.057 330 L CA -0.799 54.114 54.840 0.121 0.000 0.811 330 L CB 0.482 42.609 42.059 0.114 0.000 1.184 330 L HN 0.627 nan 8.230 nan 0.000 0.429 331 R N 1.710 122.277 120.500 0.111 0.000 2.709 331 R HA 0.403 5.143 4.340 0.667 0.000 0.270 331 R C -1.286 175.071 176.300 0.094 0.000 1.038 331 R CA -0.683 55.517 56.100 0.167 0.000 0.872 331 R CB 1.063 31.548 30.300 0.308 0.000 1.259 331 R HN 0.447 nan 8.270 nan 0.000 0.473 332 T N -0.262 114.363 114.554 0.118 0.000 2.859 332 T HA 0.755 5.505 4.350 0.667 0.000 0.281 332 T C 0.358 175.127 174.700 0.115 0.000 1.005 332 T CA -0.737 61.415 62.100 0.086 0.000 1.025 332 T CB 0.954 69.869 68.868 0.077 0.000 0.977 332 T HN 0.477 nan 8.240 nan 0.000 0.458 333 I N 2.128 122.747 120.570 0.082 0.000 2.498 333 I HA 0.545 5.115 4.170 0.667 0.000 0.290 333 I C -0.144 175.997 176.117 0.041 0.000 1.032 333 I CA -0.934 60.427 61.300 0.101 0.000 1.073 333 I CB 2.315 40.380 38.000 0.109 0.000 1.251 333 I HN 0.624 nan 8.210 nan 0.000 0.426 334 R N 5.561 126.060 120.500 -0.002 0.000 2.514 334 R HA 0.584 5.324 4.340 0.667 0.000 0.296 334 R C -1.852 174.242 176.300 -0.344 0.000 1.012 334 R CA -0.521 55.501 56.100 -0.129 0.000 0.897 334 R CB 1.986 32.229 30.300 -0.096 0.000 1.184 334 R HN 0.426 nan 8.270 nan 0.000 0.440 335 V N 5.323 124.873 119.914 -0.606 0.000 2.432 335 V HA 0.226 4.746 4.120 0.667 0.000 0.271 335 V C -0.024 175.401 176.094 -1.115 0.000 1.046 335 V CA -0.547 61.042 62.300 -1.185 0.000 0.945 335 V CB 1.403 32.107 31.823 -1.864 0.000 0.992 335 V HN 0.472 nan 8.190 nan 0.000 0.471 336 V N 5.596 124.823 119.914 -1.145 0.000 2.364 336 V HA 0.357 4.878 4.120 0.667 0.000 0.272 336 V C 0.353 175.961 176.094 -0.809 0.000 1.036 336 V CA -0.355 61.386 62.300 -0.931 0.000 0.880 336 V CB 1.037 32.149 31.823 -1.185 0.000 0.991 336 V HN 0.952 nan 8.190 nan 0.000 0.460 337 N N 4.468 122.858 118.700 -0.516 0.000 2.690 337 N HA 0.372 5.512 4.740 0.667 0.000 0.255 337 N C -0.952 174.507 175.510 -0.084 0.000 1.195 337 N CA -0.277 52.619 53.050 -0.256 0.000 0.790 337 N CB 1.190 39.532 38.487 -0.242 0.000 1.216 337 N HN 0.762 nan 8.380 nan 0.000 0.528 338 E N 0.691 120.874 120.200 -0.028 0.000 2.340 338 E HA 0.187 4.937 4.350 0.667 0.000 0.273 338 E C -0.955 175.683 176.600 0.063 0.000 0.891 338 E CA -0.865 55.542 56.400 0.012 0.000 0.757 338 E CB 2.033 31.727 29.700 -0.009 0.000 1.231 338 E HN 0.080 nan 8.360 nan 0.000 0.439 339 K N 1.879 122.319 120.400 0.066 0.000 2.451 339 K HA 0.155 4.876 4.320 0.667 0.000 0.280 339 K C -0.310 176.332 176.600 0.070 0.000 1.020 339 K CA 0.057 56.390 56.287 0.076 0.000 1.008 339 K CB -0.223 32.317 32.500 0.066 0.000 0.917 339 K HN 0.653 nan 8.250 nan 0.000 0.478 340 D N -0.484 119.963 120.400 0.077 0.000 2.752 340 D HA 0.171 5.212 4.640 0.667 0.000 0.313 340 D C 0.644 176.992 176.300 0.079 0.000 1.225 340 D CA -0.908 53.138 54.000 0.077 0.000 0.976 340 D CB 0.270 41.121 40.800 0.086 0.000 1.443 340 D HN 0.270 nan 8.370 nan 0.000 0.515 341 K N -0.818 119.632 120.400 0.083 0.000 2.211 341 K HA -0.079 4.642 4.320 0.667 0.000 0.204 341 K C 0.446 177.112 176.600 0.109 0.000 1.047 341 K CA 1.511 57.852 56.287 0.090 0.000 0.935 341 K CB -0.207 32.348 32.500 0.092 0.000 0.728 341 K HN 0.257 nan 8.250 nan 0.000 0.452 342 D N -0.271 120.198 120.400 0.114 0.000 2.389 342 D HA 0.129 5.170 4.640 0.667 0.000 0.206 342 D C 1.023 177.392 176.300 0.116 0.000 1.055 342 D CA 0.932 55.025 54.000 0.155 0.000 0.856 342 D CB 1.248 42.136 40.800 0.146 0.000 0.957 342 D HN 0.483 nan 8.370 nan 0.000 0.509 343 G N 0.904 109.756 108.800 0.085 0.000 1.884 343 G HA2 -0.082 4.278 3.960 0.667 0.000 0.053 343 G HA3 -0.082 4.278 3.960 0.667 0.000 0.053 343 G C -1.230 173.725 174.900 0.091 0.000 0.780 343 G CA -0.696 44.456 45.100 0.086 0.000 1.118 343 G HN 0.119 nan 8.290 nan 0.000 0.344 344 E N 1.026 121.286 120.200 0.101 0.000 2.241 344 E HA 0.529 5.280 4.350 0.667 0.000 0.263 344 E C -0.090 176.598 176.600 0.147 0.000 0.882 344 E CA -0.232 56.254 56.400 0.143 0.000 0.769 344 E CB 2.186 32.026 29.700 0.234 0.000 1.185 344 E HN 0.701 nan 8.360 nan 0.000 0.415 345 S N 2.232 118.014 115.700 0.137 0.000 2.596 345 S HA 0.373 5.244 4.470 0.667 0.000 0.260 345 S C -0.249 174.490 174.600 0.232 0.000 1.336 345 S CA -0.314 57.988 58.200 0.170 0.000 0.993 345 S CB 0.520 63.839 63.200 0.199 0.000 0.923 345 S HN 0.539 nan 8.310 nan 0.000 0.567 346 F N 2.606 122.596 119.950 0.068 0.000 3.395 346 F HA 0.449 5.376 4.527 0.667 0.000 0.382 346 F C -1.342 174.468 175.800 0.018 0.000 1.264 346 F CA -0.634 57.314 58.000 -0.086 0.000 1.277 346 F CB 0.635 39.616 39.000 -0.031 0.000 1.780 346 F HN 0.846 nan 8.300 nan 0.000 0.691 347 Y N 2.248 122.292 120.300 -0.428 0.000 2.670 347 Y HA 0.780 5.730 4.550 0.667 0.000 0.334 347 Y C -2.225 173.412 175.900 -0.439 0.000 1.185 347 Y CA -2.459 55.541 58.100 -0.168 0.000 1.053 347 Y CB 1.106 39.594 38.460 0.046 0.000 1.298 347 Y HN 0.189 nan 8.280 nan 0.000 0.459 348 F N 1.550 121.584 119.950 0.140 0.000 2.458 348 F HA 0.435 5.363 4.527 0.669 0.000 0.336 348 F C -0.031 175.879 175.800 0.184 0.000 1.114 348 F CA -0.649 57.343 58.000 -0.012 0.000 0.987 348 F CB 1.960 40.961 39.000 0.002 0.000 1.130 348 F HN 0.629 nan 8.300 nan 0.000 0.458 349 E N 3.574 123.912 120.200 0.231 0.000 2.145 349 E HA 0.575 5.326 4.350 0.667 0.000 0.270 349 E C -1.863 174.893 176.600 0.260 0.000 0.906 349 E CA -0.543 56.030 56.400 0.289 0.000 0.761 349 E CB 1.636 31.462 29.700 0.209 0.000 1.116 349 E HN 0.461 nan 8.360 nan 0.000 0.408 350 V N 5.157 125.281 119.914 0.350 0.000 2.444 350 V HA 0.208 4.728 4.120 0.667 0.000 0.294 350 V C 0.159 176.478 176.094 0.376 0.000 1.022 350 V CA -1.013 61.499 62.300 0.354 0.000 0.850 350 V CB 1.442 33.474 31.823 0.349 0.000 0.992 350 V HN 0.880 nan 8.190 nan 0.000 0.426 351 N N 3.960 122.824 118.700 0.272 0.000 2.701 351 N HA -0.246 4.894 4.740 0.667 0.000 0.250 351 N C 1.200 176.805 175.510 0.158 0.000 1.046 351 N CA 1.511 54.683 53.050 0.202 0.000 0.733 351 N CB -0.811 37.803 38.487 0.211 0.000 0.973 351 N HN 1.547 nan 8.380 nan 0.000 0.541 352 G N -1.670 107.228 108.800 0.163 0.000 2.175 352 G HA2 -0.296 4.064 3.960 0.667 0.000 0.244 352 G HA3 -0.296 4.064 3.960 0.667 0.000 0.244 352 G C -0.009 174.978 174.900 0.144 0.000 0.982 352 G CA 0.324 45.499 45.100 0.126 0.000 0.641 352 G HN 0.438 nan 8.290 nan 0.000 0.527 353 I N 1.629 122.326 120.570 0.211 0.000 2.433 353 I HA 0.451 5.021 4.170 0.667 0.000 0.292 353 I C -2.377 173.993 176.117 0.421 0.000 1.001 353 I CA -2.739 58.695 61.300 0.223 0.000 1.119 353 I CB 2.302 40.318 38.000 0.025 0.000 1.289 353 I HN -0.207 nan 8.210 nan 0.000 0.438 354 P HA 0.137 nan 4.420 nan 0.000 0.267 354 P C -0.813 176.743 177.300 0.426 0.000 1.209 354 P CA -0.077 63.220 63.100 0.328 0.000 0.763 354 P CB 0.457 32.177 31.700 0.033 0.000 0.816 355 M N 5.341 125.149 119.600 0.347 0.000 2.078 355 M HA 0.361 5.242 4.480 0.667 0.000 0.320 355 M C -1.014 175.362 176.300 0.127 0.000 0.969 355 M CA -1.145 54.222 55.300 0.113 0.000 0.929 355 M CB 0.525 32.964 32.600 -0.269 0.000 1.504 355 M HN 0.155 nan 8.290 nan 0.000 0.419 356 F N 4.303 124.260 119.950 0.012 0.000 2.541 356 F HA 0.397 5.324 4.527 0.666 0.000 0.378 356 F C 0.150 175.871 175.800 -0.131 0.000 1.068 356 F CA -0.061 57.930 58.000 -0.015 0.000 1.199 356 F CB 0.508 39.495 39.000 -0.022 0.000 1.091 356 F HN 0.658 nan 8.300 nan 0.000 0.555 357 A N 6.930 129.497 122.820 -0.422 0.000 2.327 357 A HA 0.557 5.278 4.320 0.667 0.000 0.283 357 A C -0.665 176.688 177.584 -0.384 0.000 1.127 357 A CA -0.636 51.210 52.037 -0.319 0.000 0.810 357 A CB 0.476 19.388 19.000 -0.146 0.000 1.066 357 A HN 0.815 nan 8.150 nan 0.000 0.492 358 K N 1.621 121.767 120.400 -0.424 0.000 2.637 358 K HA 0.597 5.318 4.320 0.667 0.000 0.248 358 K C 0.005 176.221 176.600 -0.641 0.000 0.971 358 K CA -0.054 55.730 56.287 -0.837 0.000 0.858 358 K CB 2.145 33.819 32.500 -1.378 0.000 1.170 358 K HN 1.116 nan 8.250 nan 0.000 0.443 359 G N 1.105 109.715 108.800 -0.318 0.000 2.485 359 G HA2 0.697 5.058 3.960 0.667 0.000 0.182 359 G HA3 0.697 5.058 3.960 0.667 0.000 0.182 359 G C -1.772 172.961 174.900 -0.279 0.000 1.172 359 G CA -0.024 44.968 45.100 -0.179 0.000 0.996 359 G HN 0.669 nan 8.290 nan 0.000 0.496 360 A N -1.082 121.485 122.820 -0.421 0.000 2.564 360 A HA 0.750 5.470 4.320 0.667 0.000 0.291 360 A C -1.365 175.939 177.584 -0.467 0.000 1.102 360 A CA -0.671 50.948 52.037 -0.697 0.000 0.660 360 A CB 0.829 19.053 19.000 -1.293 0.000 1.283 360 A HN 0.605 nan 8.150 nan 0.000 0.430 361 N N 0.519 118.911 118.700 -0.514 0.000 2.455 361 N HA 0.373 5.513 4.740 0.667 0.000 0.280 361 N C -1.575 173.625 175.510 -0.518 0.000 1.055 361 N CA 0.179 52.989 53.050 -0.400 0.000 0.961 361 N CB 1.420 39.737 38.487 -0.282 0.000 1.121 361 N HN 0.632 nan 8.380 nan 0.000 0.476 362 Y N 3.846 123.895 120.300 -0.418 0.000 2.330 362 Y HA 0.460 5.410 4.550 0.665 0.000 0.336 362 Y C -0.048 175.627 175.900 -0.374 0.000 1.036 362 Y CA -0.850 57.007 58.100 -0.405 0.000 1.125 362 Y CB 0.599 38.929 38.460 -0.216 0.000 1.194 362 Y HN 0.430 nan 8.280 nan 0.000 0.469 363 I N 3.725 123.599 120.570 -1.160 0.000 2.982 363 I HA 0.731 5.301 4.170 0.667 0.000 0.312 363 I C -2.709 172.634 176.117 -1.289 0.000 1.041 363 I CA -3.233 57.464 61.300 -1.005 0.000 1.053 363 I CB 1.655 38.974 38.000 -1.136 0.000 1.248 363 I HN 0.387 nan 8.210 nan 0.000 0.471 364 P HA 0.064 nan 4.420 nan 0.000 0.266 364 P C -0.595 176.440 177.300 -0.442 0.000 1.195 364 P CA 0.164 62.906 63.100 -0.596 0.000 0.768 364 P CB 0.431 31.689 31.700 -0.737 0.000 0.838 365 Q N 0.445 120.100 119.800 -0.241 0.000 2.451 365 Q HA 0.034 4.775 4.340 0.667 0.000 0.206 365 Q C 0.208 176.257 176.000 0.082 0.000 0.947 365 Q CA 0.862 56.584 55.803 -0.135 0.000 0.937 365 Q CB 0.264 28.913 28.738 -0.148 0.000 1.025 365 Q HN 0.520 nan 8.270 nan 0.000 0.511 366 D N -2.137 118.355 120.400 0.153 0.000 2.837 366 D HA 0.237 5.277 4.640 0.667 0.000 0.220 366 D C -0.323 176.181 176.300 0.341 0.000 1.236 366 D CA -0.099 54.091 54.000 0.317 0.000 0.838 366 D CB 1.630 42.621 40.800 0.319 0.000 1.647 366 D HN -0.052 nan 8.370 nan 0.000 0.486 367 A N 2.724 125.743 122.820 0.331 0.000 2.024 367 A HA -0.033 4.687 4.320 0.667 0.000 0.220 367 A C 0.990 178.622 177.584 0.079 0.000 1.164 367 A CA 1.058 53.204 52.037 0.182 0.000 0.643 367 A CB -0.164 18.904 19.000 0.113 0.000 0.806 367 A HN 0.488 nan 8.150 nan 0.000 0.451 368 L N 0.179 121.489 121.223 0.145 0.000 2.337 368 L HA 0.308 5.048 4.340 0.667 0.000 0.269 368 L C 0.638 177.595 176.870 0.145 0.000 1.018 368 L CA -0.536 54.338 54.840 0.058 0.000 0.876 368 L CB 1.270 43.324 42.059 -0.009 0.000 1.236 368 L HN 0.187 nan 8.230 nan 0.000 0.436 369 L N 2.969 124.298 121.223 0.177 0.000 2.043 369 L HA -0.159 4.582 4.340 0.667 0.000 0.212 369 L C -0.459 176.589 176.870 0.296 0.000 1.075 369 L CA 1.657 56.669 54.840 0.286 0.000 0.752 369 L CB -1.089 41.207 42.059 0.394 0.000 0.891 369 L HN 0.528 nan 8.230 nan 0.000 0.432 370 P HA -0.031 nan 4.420 nan 0.000 0.237 370 P C 0.688 178.079 177.300 0.152 0.000 1.178 370 P CA 0.788 64.007 63.100 0.197 0.000 0.766 370 P CB -0.033 31.741 31.700 0.123 0.000 0.876 371 N N -0.898 117.889 118.700 0.144 0.000 2.494 371 N HA -0.024 5.116 4.740 0.667 0.000 0.182 371 N C 0.120 175.716 175.510 0.143 0.000 1.076 371 N CA 0.403 53.530 53.050 0.129 0.000 0.908 371 N CB -0.410 38.156 38.487 0.131 0.000 0.967 371 N HN 0.017 nan 8.380 nan 0.000 0.449 372 V N 1.879 121.895 119.914 0.169 0.000 2.508 372 V HA 0.110 4.631 4.120 0.667 0.000 0.281 372 V C 0.848 177.061 176.094 0.199 0.000 1.041 372 V CA -0.399 61.973 62.300 0.120 0.000 1.016 372 V CB 0.632 32.473 31.823 0.030 0.000 0.984 372 V HN 0.239 nan 8.190 nan 0.000 0.478 373 T N 0.961 115.606 114.554 0.151 0.000 2.902 373 T HA 0.203 4.953 4.350 0.667 0.000 0.280 373 T C 1.295 176.165 174.700 0.284 0.000 0.992 373 T CA -0.092 62.120 62.100 0.186 0.000 1.015 373 T CB 1.297 70.236 68.868 0.118 0.000 1.044 373 T HN 0.558 nan 8.240 nan 0.000 0.520 374 T N 0.358 115.051 114.554 0.232 0.000 2.665 374 T HA -0.164 4.586 4.350 0.667 0.000 0.268 374 T C 1.702 176.523 174.700 0.202 0.000 1.035 374 T CA 1.964 64.194 62.100 0.217 0.000 1.151 374 T CB -0.451 68.488 68.868 0.119 0.000 0.862 374 T HN 0.844 nan 8.240 nan 0.000 0.438 375 E N 0.635 120.919 120.200 0.140 0.000 2.077 375 E HA -0.169 4.582 4.350 0.667 0.000 0.193 375 E C 2.437 179.099 176.600 0.103 0.000 0.989 375 E CA 0.936 57.400 56.400 0.107 0.000 0.800 375 E CB 0.002 29.748 29.700 0.076 0.000 0.746 375 E HN 0.404 nan 8.360 nan 0.000 0.452 376 R N -0.715 119.837 120.500 0.086 0.000 2.091 376 R HA -0.179 4.561 4.340 0.667 0.000 0.238 376 R C 2.307 178.620 176.300 0.022 0.000 1.136 376 R CA 1.844 57.953 56.100 0.015 0.000 0.959 376 R CB -0.457 29.810 30.300 -0.056 0.000 0.856 376 R HN 0.288 nan 8.270 nan 0.000 0.437 377 Y N 1.163 121.525 120.300 0.105 0.000 2.070 377 Y HA -0.302 4.649 4.550 0.669 0.000 0.280 377 Y C 2.648 178.642 175.900 0.157 0.000 1.148 377 Y CA 1.784 59.973 58.100 0.148 0.000 1.125 377 Y CB -0.443 38.114 38.460 0.162 0.000 0.975 377 Y HN 0.120 nan 8.280 nan 0.000 0.492 378 Q N -0.806 119.159 119.800 0.275 0.000 2.096 378 Q HA -0.234 4.507 4.340 0.667 0.000 0.208 378 Q C 2.166 178.255 176.000 0.148 0.000 0.993 378 Q CA 2.616 58.526 55.803 0.178 0.000 0.862 378 Q CB -0.454 28.355 28.738 0.117 0.000 0.915 378 Q HN 0.452 nan 8.270 nan 0.000 0.416 379 T N 1.009 115.626 114.554 0.105 0.000 2.777 379 T HA -0.131 4.620 4.350 0.667 0.000 0.266 379 T C 1.667 176.395 174.700 0.046 0.000 1.040 379 T CA 0.855 62.999 62.100 0.074 0.000 1.141 379 T CB -0.238 68.659 68.868 0.050 0.000 0.868 379 T HN 0.096 nan 8.240 nan 0.000 0.444 380 L N 0.467 121.690 121.223 -0.000 0.000 2.042 380 L HA 0.050 4.791 4.340 0.667 0.000 0.210 380 L C 1.921 178.649 176.870 -0.236 0.000 1.076 380 L CA 1.613 56.371 54.840 -0.137 0.000 0.749 380 L CB -0.927 41.017 42.059 -0.192 0.000 0.893 380 L HN 0.199 nan 8.230 nan 0.000 0.432 381 F N -0.465 119.420 119.950 -0.108 0.000 2.186 381 F HA -0.151 4.777 4.527 0.668 0.000 0.299 381 F C 2.731 178.498 175.800 -0.056 0.000 1.090 381 F CA 1.534 59.452 58.000 -0.138 0.000 1.307 381 F CB -0.359 38.531 39.000 -0.184 0.000 1.019 381 F HN 0.067 nan 8.300 nan 0.000 0.489 382 R N 0.579 121.161 120.500 0.136 0.000 2.081 382 R HA -0.176 4.564 4.340 0.667 0.000 0.235 382 R C 1.712 178.103 176.300 0.152 0.000 1.131 382 R CA 2.034 58.212 56.100 0.129 0.000 0.960 382 R CB -0.417 29.956 30.300 0.121 0.000 0.856 382 R HN 0.166 nan 8.270 nan 0.000 0.436 383 D N 0.322 120.791 120.400 0.115 0.000 2.097 383 D HA -0.183 4.858 4.640 0.667 0.000 0.195 383 D C 2.001 178.355 176.300 0.091 0.000 0.989 383 D CA 1.518 55.596 54.000 0.130 0.000 0.827 383 D CB -0.173 40.550 40.800 -0.128 0.000 0.966 383 D HN 0.334 nan 8.370 nan 0.000 0.456 384 M N 0.285 119.860 119.600 -0.041 0.000 2.099 384 M HA -0.138 4.743 4.480 0.667 0.000 0.262 384 M C 2.257 178.559 176.300 0.002 0.000 1.067 384 M CA 1.190 56.451 55.300 -0.064 0.000 1.124 384 M CB -0.182 32.284 32.600 -0.224 0.000 1.353 384 M HN -0.102 nan 8.290 nan 0.000 0.410 385 K N 0.860 121.284 120.400 0.040 0.000 2.026 385 K HA -0.179 4.541 4.320 0.667 0.000 0.208 385 K C 1.580 178.233 176.600 0.087 0.000 1.048 385 K CA 1.579 57.901 56.287 0.058 0.000 0.929 385 K CB -0.007 32.537 32.500 0.072 0.000 0.713 385 K HN 0.373 nan 8.250 nan 0.000 0.439 386 E N -0.368 119.923 120.200 0.152 0.000 2.268 386 E HA -0.114 4.637 4.350 0.667 0.000 0.195 386 E C 1.284 178.010 176.600 0.209 0.000 0.995 386 E CA 0.667 57.198 56.400 0.218 0.000 0.836 386 E CB 0.075 29.982 29.700 0.344 0.000 0.763 386 E HN 0.361 nan 8.360 nan 0.000 0.491 387 A N 1.197 124.076 122.820 0.098 0.000 2.302 387 A HA 0.001 4.721 4.320 0.667 0.000 0.219 387 A C 0.251 177.885 177.584 0.083 0.000 1.243 387 A CA -0.135 51.881 52.037 -0.035 0.000 0.856 387 A CB -0.076 18.681 19.000 -0.405 0.000 0.893 387 A HN 0.183 nan 8.150 nan 0.000 0.491 388 N N -1.327 117.423 118.700 0.083 0.000 2.776 388 N HA -0.142 4.998 4.740 0.667 0.000 0.250 388 N C -0.227 175.284 175.510 0.002 0.000 1.112 388 N CA 1.193 54.285 53.050 0.070 0.000 0.733 388 N CB -1.599 36.966 38.487 0.130 0.000 1.097 388 N HN 0.624 nan 8.380 nan 0.000 0.558 389 M N 0.617 120.204 119.600 -0.023 0.000 2.255 389 M HA 0.133 5.013 4.480 0.667 0.000 0.336 389 M C 1.358 177.554 176.300 -0.173 0.000 1.135 389 M CA 0.148 55.364 55.300 -0.140 0.000 1.145 389 M CB 0.529 33.073 32.600 -0.093 0.000 1.473 389 M HN 0.158 nan 8.290 nan 0.000 0.462 390 N N 1.308 119.863 118.700 -0.241 0.000 2.160 390 N HA 0.287 5.427 4.740 0.667 0.000 0.226 390 N C -0.719 174.681 175.510 -0.183 0.000 1.256 390 N CA -0.222 52.701 53.050 -0.211 0.000 0.890 390 N CB 0.750 39.060 38.487 -0.295 0.000 1.116 390 N HN 0.682 nan 8.380 nan 0.000 0.517 391 M N 0.369 119.857 119.600 -0.186 0.000 2.465 391 M HA 0.517 5.397 4.480 0.667 0.000 0.284 391 M C -2.102 174.118 176.300 -0.134 0.000 1.212 391 M CA -0.911 54.300 55.300 -0.149 0.000 0.910 391 M CB 2.549 35.041 32.600 -0.180 0.000 1.725 391 M HN -0.156 nan 8.290 nan 0.000 0.477 392 V N 3.785 123.647 119.914 -0.086 0.000 2.789 392 V HA 0.680 5.200 4.120 0.667 0.000 0.311 392 V C -1.510 174.562 176.094 -0.037 0.000 1.073 392 V CA -0.626 61.614 62.300 -0.100 0.000 0.921 392 V CB 2.392 34.142 31.823 -0.121 0.000 1.009 392 V HN 0.971 nan 8.190 nan 0.000 0.426 393 R N 5.610 126.048 120.500 -0.105 0.000 2.295 393 R HA 0.575 5.315 4.340 0.667 0.000 0.324 393 R C -0.978 175.300 176.300 -0.037 0.000 0.968 393 R CA -0.615 55.399 56.100 -0.143 0.000 0.837 393 R CB 1.126 31.107 30.300 -0.532 0.000 1.133 393 R HN 0.777 nan 8.270 nan 0.000 0.450 394 I N 5.786 126.365 120.570 0.014 0.000 2.278 394 I HA 0.087 4.658 4.170 0.667 0.000 0.296 394 I C -0.059 176.112 176.117 0.089 0.000 1.121 394 I CA -0.435 60.891 61.300 0.044 0.000 1.267 394 I CB 0.139 38.063 38.000 -0.126 0.000 1.447 394 I HN 0.595 nan 8.210 nan 0.000 0.509 395 W N 6.210 127.470 121.300 -0.066 0.000 2.181 395 W HA 0.285 5.347 4.660 0.670 0.000 0.335 395 W C 1.297 177.782 176.519 -0.056 0.000 1.310 395 W CA -0.478 56.859 57.345 -0.012 0.000 1.226 395 W CB 0.917 30.448 29.460 0.118 0.000 1.155 395 W HN 0.561 nan 8.180 nan 0.000 0.565 396 G N 3.181 111.596 108.800 -0.643 0.000 2.882 396 G HA2 0.009 4.369 3.960 0.667 0.000 0.206 396 G HA3 0.009 4.369 3.960 0.667 0.000 0.206 396 G C 1.050 175.343 174.900 -1.011 0.000 1.155 396 G CA 0.355 45.052 45.100 -0.672 0.000 0.800 396 G HN 0.867 nan 8.290 nan 0.000 0.524 397 G N -0.480 107.112 108.800 -2.013 0.000 3.042 397 G HA2 0.406 4.767 3.960 0.667 0.000 0.212 397 G HA3 0.406 4.767 3.960 0.667 0.000 0.212 397 G C 0.866 175.341 174.900 -0.709 0.000 1.166 397 G CA 0.727 44.800 45.100 -1.711 0.000 0.767 397 G HN 0.519 nan 8.290 nan 0.000 0.546 398 G N -0.036 108.448 108.800 -0.527 0.000 3.345 398 G HA2 0.508 4.869 3.960 0.667 0.000 0.202 398 G HA3 0.508 4.869 3.960 0.667 0.000 0.202 398 G C 0.091 174.889 174.900 -0.171 0.000 1.740 398 G CA 0.655 45.581 45.100 -0.289 0.000 0.806 398 G HN 0.630 nan 8.290 nan 0.000 0.718 399 T N -2.819 111.647 114.554 -0.147 0.000 2.883 399 T HA 0.546 5.296 4.350 0.667 0.000 0.296 399 T C -1.182 173.394 174.700 -0.207 0.000 1.117 399 T CA -0.734 61.334 62.100 -0.053 0.000 1.006 399 T CB 1.478 70.554 68.868 0.347 0.000 1.191 399 T HN 0.285 nan 8.240 nan 0.000 0.508 400 Y N 1.675 121.975 120.300 0.001 0.000 2.713 400 Y HA 0.252 5.203 4.550 0.668 0.000 0.341 400 Y C 1.441 177.448 175.900 0.179 0.000 1.167 400 Y CA -0.349 57.793 58.100 0.071 0.000 1.503 400 Y CB 0.029 38.547 38.460 0.097 0.000 1.199 400 Y HN 0.499 nan 8.280 nan 0.000 0.525 401 E N 2.910 123.229 120.200 0.199 0.000 2.409 401 E HA -0.031 4.719 4.350 0.667 0.000 0.257 401 E C 0.096 176.833 176.600 0.228 0.000 1.150 401 E CA -0.277 56.205 56.400 0.135 0.000 0.942 401 E CB 0.438 29.915 29.700 -0.372 0.000 0.979 401 E HN 0.729 nan 8.360 nan 0.000 0.447 402 N N 1.448 120.256 118.700 0.180 0.000 2.326 402 N HA -0.053 5.088 4.740 0.667 0.000 0.239 402 N C 0.523 176.083 175.510 0.083 0.000 1.301 402 N CA -0.164 52.931 53.050 0.075 0.000 0.909 402 N CB 0.220 38.682 38.487 -0.042 0.000 1.156 402 N HN 0.220 nan 8.380 nan 0.000 0.462 403 N N -0.288 118.432 118.700 0.034 0.000 2.149 403 N HA -0.157 4.984 4.740 0.667 0.000 0.188 403 N C 1.478 177.000 175.510 0.020 0.000 1.019 403 N CA 0.760 53.849 53.050 0.064 0.000 0.857 403 N CB -0.567 37.959 38.487 0.065 0.000 0.997 403 N HN 0.583 nan 8.380 nan 0.000 0.426 404 L N 0.370 121.537 121.223 -0.093 0.000 2.042 404 L HA -0.083 4.657 4.340 0.667 0.000 0.210 404 L C 2.080 178.826 176.870 -0.206 0.000 1.076 404 L CA 1.356 56.090 54.840 -0.177 0.000 0.749 404 L CB -0.882 41.003 42.059 -0.291 0.000 0.893 404 L HN 0.094 nan 8.230 nan 0.000 0.432 405 F N -1.053 118.695 119.950 -0.336 0.000 2.095 405 F HA -0.324 4.604 4.527 0.668 0.000 0.298 405 F C 2.080 177.653 175.800 -0.378 0.000 1.104 405 F CA 1.877 59.762 58.000 -0.192 0.000 1.232 405 F CB -0.346 38.626 39.000 -0.047 0.000 0.987 405 F HN 0.128 nan 8.300 nan 0.000 0.475 406 Y N 0.589 120.851 120.300 -0.064 0.000 2.263 406 Y HA -0.203 4.748 4.550 0.669 0.000 0.292 406 Y C 2.340 177.961 175.900 -0.465 0.000 1.130 406 Y CA 1.497 59.352 58.100 -0.409 0.000 1.179 406 Y CB -0.605 37.252 38.460 -1.006 0.000 0.998 406 Y HN 0.066 nan 8.280 nan 0.000 0.532 407 D N -0.035 120.272 120.400 -0.156 0.000 2.144 407 D HA -0.158 4.882 4.640 0.667 0.000 0.199 407 D C 2.144 178.302 176.300 -0.236 0.000 0.984 407 D CA 1.241 55.209 54.000 -0.055 0.000 0.834 407 D CB -0.318 40.479 40.800 -0.004 0.000 0.955 407 D HN 0.320 nan 8.370 nan 0.000 0.465 408 L N 0.569 121.469 121.223 -0.538 0.000 2.072 408 L HA -0.063 4.677 4.340 0.667 0.000 0.205 408 L C 2.559 178.817 176.870 -1.019 0.000 1.079 408 L CA 0.920 55.248 54.840 -0.854 0.000 0.752 408 L CB -0.375 40.912 42.059 -1.287 0.000 0.906 408 L HN -0.053 nan 8.230 nan 0.000 0.436 409 A N 0.058 122.193 122.820 -1.142 0.000 1.940 409 A HA -0.244 4.477 4.320 0.667 0.000 0.219 409 A C 1.900 179.449 177.584 -0.060 0.000 1.176 409 A CA 2.020 53.791 52.037 -0.444 0.000 0.631 409 A CB -0.533 18.333 19.000 -0.224 0.000 0.814 409 A HN 0.360 nan 8.150 nan 0.000 0.446 410 D N -0.007 120.373 120.400 -0.034 0.000 2.092 410 D HA -0.192 4.849 4.640 0.667 0.000 0.193 410 D C 1.943 178.444 176.300 0.335 0.000 0.994 410 D CA 1.788 55.912 54.000 0.207 0.000 0.828 410 D CB -0.492 40.395 40.800 0.146 0.000 0.963 410 D HN 0.884 nan 8.370 nan 0.000 0.450 411 E N -0.191 120.065 120.200 0.095 0.000 2.502 411 E HA -0.010 4.740 4.350 0.667 0.000 0.194 411 E C 0.896 177.499 176.600 0.004 0.000 1.062 411 E CA 0.331 56.770 56.400 0.066 0.000 0.867 411 E CB -0.040 29.664 29.700 0.007 0.000 0.888 411 E HN 0.120 nan 8.360 nan 0.000 0.510 412 N N 0.641 119.332 118.700 -0.016 0.000 2.205 412 N HA 0.064 5.204 4.740 0.667 0.000 0.201 412 N C 0.603 176.095 175.510 -0.030 0.000 1.128 412 N CA 0.686 53.728 53.050 -0.013 0.000 0.867 412 N CB 1.318 39.823 38.487 0.030 0.000 0.996 412 N HN 0.380 nan 8.380 nan 0.000 0.503 413 G N 1.521 110.305 108.800 -0.026 0.000 2.198 413 G HA2 -0.230 4.131 3.960 0.667 0.000 0.260 413 G HA3 -0.230 4.131 3.960 0.667 0.000 0.260 413 G C -0.120 174.770 174.900 -0.017 0.000 1.025 413 G CA -0.150 44.805 45.100 -0.241 0.000 0.769 413 G HN 0.214 nan 8.290 nan 0.000 0.507 414 I N 0.677 121.340 120.570 0.155 0.000 2.297 414 I HA 0.372 4.942 4.170 0.667 0.000 0.291 414 I C 0.853 177.075 176.117 0.174 0.000 1.033 414 I CA -1.462 59.907 61.300 0.117 0.000 1.253 414 I CB 0.823 38.903 38.000 0.134 0.000 1.396 414 I HN -0.074 nan 8.210 nan 0.000 0.476 415 L N 7.095 128.390 121.223 0.120 0.000 2.485 415 L HA 0.106 4.846 4.340 0.667 0.000 0.275 415 L C 0.189 177.063 176.870 0.007 0.000 1.207 415 L CA 0.535 55.409 54.840 0.057 0.000 0.855 415 L CB 0.619 42.635 42.059 -0.072 0.000 1.114 415 L HN 0.265 nan 8.230 nan 0.000 0.485 416 V N 2.791 122.714 119.914 0.015 0.000 2.409 416 V HA 0.253 4.773 4.120 0.667 0.000 0.291 416 V C -0.763 175.391 176.094 0.101 0.000 1.020 416 V CA -0.768 61.550 62.300 0.030 0.000 0.848 416 V CB 1.593 33.387 31.823 -0.048 0.000 0.990 416 V HN 0.726 nan 8.190 nan 0.000 0.430 417 W N 5.780 127.042 121.300 -0.062 0.000 2.342 417 W HA 0.537 5.599 4.660 0.669 0.000 0.310 417 W C -0.397 176.086 176.519 -0.060 0.000 1.128 417 W CA -1.124 56.215 57.345 -0.009 0.000 1.322 417 W CB 1.294 30.806 29.460 0.087 0.000 1.251 417 W HN 0.642 nan 8.180 nan 0.000 0.439 418 Q N 4.816 124.711 119.800 0.158 0.000 2.398 418 Q HA 0.200 4.941 4.340 0.667 0.000 0.251 418 Q C -0.796 175.299 176.000 0.159 0.000 0.999 418 Q CA -0.112 55.695 55.803 0.007 0.000 0.874 418 Q CB 0.430 28.900 28.738 -0.447 0.000 1.215 418 Q HN 0.287 nan 8.270 nan 0.000 0.470 419 D N 3.057 123.617 120.400 0.265 0.000 2.414 419 D HA 0.099 5.139 4.640 0.667 0.000 0.242 419 D C -0.324 176.062 176.300 0.144 0.000 1.129 419 D CA 0.244 54.409 54.000 0.276 0.000 0.885 419 D CB 0.373 41.275 40.800 0.170 0.000 1.198 419 D HN 0.409 nan 8.370 nan 0.000 0.437 420 F N 0.765 120.961 119.950 0.410 0.000 2.480 420 F HA 0.087 5.015 4.527 0.668 0.000 0.319 420 F C 1.510 177.292 175.800 -0.030 0.000 1.230 420 F CA -0.237 57.990 58.000 0.378 0.000 1.285 420 F CB 0.370 39.746 39.000 0.626 0.000 1.208 420 F HN 0.080 nan 8.300 nan 0.000 0.579 421 M N 3.197 122.625 119.600 -0.286 0.000 3.654 421 M HA 0.211 5.092 4.480 0.667 0.000 0.212 421 M C -1.535 174.199 176.300 -0.943 0.000 1.354 421 M CA 0.218 55.052 55.300 -0.777 0.000 1.564 421 M CB -1.575 30.284 32.600 -1.235 0.000 1.056 421 M HN 0.282 nan 8.290 nan 0.000 0.608 422 F N 0.523 120.391 119.950 -0.135 0.000 2.539 422 F HA 0.726 5.654 4.527 0.668 0.000 0.318 422 F C -0.094 175.736 175.800 0.050 0.000 1.135 422 F CA -0.961 56.956 58.000 -0.140 0.000 0.915 422 F CB 1.781 40.692 39.000 -0.148 0.000 1.176 422 F HN 0.309 nan 8.300 nan 0.000 0.440 423 A N 1.176 124.267 122.820 0.451 0.000 2.437 423 A HA 0.603 5.324 4.320 0.667 0.000 0.293 423 A C 0.021 177.961 177.584 0.594 0.000 1.038 423 A CA -0.739 51.525 52.037 0.379 0.000 0.708 423 A CB 0.765 19.765 19.000 -0.000 0.000 1.251 423 A HN 1.123 nan 8.150 nan 0.000 0.409 424 C N 0.154 119.763 119.300 0.515 0.000 4.593 424 C HA -0.108 4.752 4.460 0.667 0.000 0.263 424 C C 0.850 176.120 174.990 0.468 0.000 1.378 424 C CA 1.572 60.917 59.018 0.546 0.000 1.666 424 C CB -2.394 25.757 27.740 0.685 0.000 1.603 424 C HN 1.722 nan 8.230 nan 0.000 0.704 425 T N -0.055 114.723 114.554 0.373 0.000 2.889 425 T HA 0.597 5.347 4.350 0.667 0.000 0.315 425 T C -2.864 171.992 174.700 0.260 0.000 1.291 425 T CA -0.944 61.313 62.100 0.261 0.000 1.028 425 T CB 2.378 71.239 68.868 -0.011 0.000 1.235 425 T HN -0.029 nan 8.240 nan 0.000 0.491 426 P HA 0.329 nan 4.420 nan 0.000 0.272 426 P C -1.324 176.044 177.300 0.113 0.000 1.240 426 P CA -0.138 63.163 63.100 0.334 0.000 0.791 426 P CB 0.494 32.362 31.700 0.280 0.000 0.978 427 Y N -0.795 119.595 120.300 0.150 0.000 2.602 427 Y HA 0.427 5.377 4.550 0.667 0.000 0.342 427 Y C -1.792 173.944 175.900 -0.273 0.000 1.029 427 Y CA -2.291 55.690 58.100 -0.199 0.000 1.080 427 Y CB 1.078 39.560 38.460 0.038 0.000 1.284 427 Y HN 0.259 nan 8.280 nan 0.000 0.485 428 P HA 0.059 nan 4.420 nan 0.000 0.269 428 P C -0.314 176.825 177.300 -0.269 0.000 1.217 428 P CA 0.164 63.023 63.100 -0.402 0.000 0.783 428 P CB 0.568 31.829 31.700 -0.732 0.000 0.898 429 S N -2.069 113.620 115.700 -0.018 0.000 3.073 429 S HA 0.106 4.976 4.470 0.667 0.000 0.252 429 S C -0.023 174.639 174.600 0.102 0.000 0.953 429 S CA -0.712 57.532 58.200 0.075 0.000 1.105 429 S CB -0.678 62.534 63.200 0.020 0.000 1.070 429 S HN 0.492 nan 8.310 nan 0.000 0.574 430 D N 1.540 122.018 120.400 0.130 0.000 2.360 430 D HA 0.180 5.221 4.640 0.667 0.000 0.242 430 D C -1.958 174.422 176.300 0.132 0.000 1.184 430 D CA -1.167 52.904 54.000 0.119 0.000 0.930 430 D CB 0.629 41.502 40.800 0.122 0.000 1.161 430 D HN -0.044 nan 8.370 nan 0.000 0.447 431 P HA -0.141 nan 4.420 nan 0.000 0.216 431 P C 1.411 178.755 177.300 0.072 0.000 1.150 431 P CA 1.622 64.756 63.100 0.056 0.000 0.843 431 P CB 0.051 31.772 31.700 0.035 0.000 0.787 432 T N -1.132 113.484 114.554 0.104 0.000 2.701 432 T HA -0.138 4.612 4.350 0.667 0.000 0.263 432 T C 1.457 176.249 174.700 0.152 0.000 1.040 432 T CA 1.007 63.173 62.100 0.111 0.000 1.147 432 T CB -1.077 67.865 68.868 0.123 0.000 0.865 432 T HN 0.008 nan 8.240 nan 0.000 0.426 433 F N 1.813 121.806 119.950 0.072 0.000 2.120 433 F HA -0.116 4.811 4.527 0.667 0.000 0.300 433 F C 1.933 177.759 175.800 0.045 0.000 1.095 433 F CA 1.280 59.333 58.000 0.089 0.000 1.249 433 F CB -0.454 38.611 39.000 0.109 0.000 0.995 433 F HN 0.067 nan 8.300 nan 0.000 0.480 434 L N -0.416 120.857 121.223 0.083 0.000 2.083 434 L HA -0.238 4.502 4.340 0.667 0.000 0.209 434 L C 2.553 179.350 176.870 -0.122 0.000 1.083 434 L CA 1.410 56.206 54.840 -0.074 0.000 0.752 434 L CB -0.982 41.055 42.059 -0.037 0.000 0.899 434 L HN -0.087 nan 8.230 nan 0.000 0.433 435 K N -0.087 120.275 120.400 -0.064 0.000 2.063 435 K HA -0.155 4.565 4.320 0.667 0.000 0.208 435 K C 2.160 178.710 176.600 -0.083 0.000 1.048 435 K CA 1.356 57.607 56.287 -0.060 0.000 0.928 435 K CB -0.440 32.049 32.500 -0.017 0.000 0.713 435 K HN 0.423 nan 8.250 nan 0.000 0.442 436 R N -0.212 120.225 120.500 -0.105 0.000 2.066 436 R HA -0.032 4.709 4.340 0.667 0.000 0.232 436 R C 2.412 178.618 176.300 -0.155 0.000 1.131 436 R CA 1.533 57.564 56.100 -0.115 0.000 0.955 436 R CB -0.669 29.559 30.300 -0.120 0.000 0.851 436 R HN 0.135 nan 8.270 nan 0.000 0.432 437 V N 1.334 121.087 119.914 -0.267 0.000 2.332 437 V HA -0.277 4.243 4.120 0.667 0.000 0.248 437 V C 2.325 178.329 176.094 -0.150 0.000 1.055 437 V CA 2.059 64.247 62.300 -0.187 0.000 1.038 437 V CB -0.519 31.151 31.823 -0.256 0.000 0.651 437 V HN 0.418 nan 8.190 nan 0.000 0.450 438 E N 0.182 120.279 120.200 -0.171 0.000 2.085 438 E HA -0.242 4.509 4.350 0.667 0.000 0.194 438 E C 2.215 178.725 176.600 -0.151 0.000 0.994 438 E CA 1.421 57.720 56.400 -0.168 0.000 0.801 438 E CB -0.210 29.408 29.700 -0.137 0.000 0.743 438 E HN 0.582 nan 8.360 nan 0.000 0.453 439 A N 1.633 124.384 122.820 -0.114 0.000 1.898 439 A HA -0.236 4.484 4.320 0.667 0.000 0.216 439 A C 2.043 179.570 177.584 -0.095 0.000 1.181 439 A CA 1.680 53.654 52.037 -0.104 0.000 0.620 439 A CB -0.670 18.287 19.000 -0.073 0.000 0.819 439 A HN 0.571 nan 8.150 nan 0.000 0.442 440 E N 0.137 120.299 120.200 -0.063 0.000 2.106 440 E HA -0.048 4.703 4.350 0.667 0.000 0.192 440 E C 1.983 178.514 176.600 -0.116 0.000 0.984 440 E CA 1.120 57.502 56.400 -0.030 0.000 0.806 440 E CB -0.413 29.346 29.700 0.098 0.000 0.750 440 E HN 0.436 nan 8.360 nan 0.000 0.458 441 A N 1.558 124.311 122.820 -0.112 0.000 1.877 441 A HA -0.101 4.620 4.320 0.667 0.000 0.216 441 A C 2.524 179.939 177.584 -0.281 0.000 1.186 441 A CA 1.643 53.615 52.037 -0.109 0.000 0.620 441 A CB -0.819 18.038 19.000 -0.237 0.000 0.822 441 A HN 0.199 nan 8.150 nan 0.000 0.443 442 V N -1.298 118.402 119.914 -0.357 0.000 2.295 442 V HA -0.276 4.245 4.120 0.667 0.000 0.246 442 V C 2.374 178.204 176.094 -0.440 0.000 1.049 442 V CA 2.100 64.041 62.300 -0.598 0.000 1.024 442 V CB -1.148 30.269 31.823 -0.677 0.000 0.648 442 V HN 0.703 nan 8.190 nan 0.000 0.447 443 Y N 1.952 122.031 120.300 -0.369 0.000 2.114 443 Y HA -0.228 4.722 4.550 0.667 0.000 0.284 443 Y C 2.521 178.253 175.900 -0.280 0.000 1.143 443 Y CA 2.151 60.072 58.100 -0.298 0.000 1.135 443 Y CB -0.394 37.912 38.460 -0.255 0.000 0.980 443 Y HN 0.263 nan 8.280 nan 0.000 0.499 444 N N 0.371 118.862 118.700 -0.348 0.000 2.331 444 N HA -0.115 5.025 4.740 0.667 0.000 0.180 444 N C 1.893 177.249 175.510 -0.256 0.000 1.019 444 N CA 1.530 54.342 53.050 -0.396 0.000 0.881 444 N CB -0.114 38.078 38.487 -0.490 0.000 0.972 444 N HN 0.455 nan 8.380 nan 0.000 0.435 445 I N 1.391 121.756 120.570 -0.341 0.000 2.142 445 I HA -0.221 4.350 4.170 0.667 0.000 0.240 445 I C 2.420 178.386 176.117 -0.251 0.000 1.078 445 I CA 1.125 62.267 61.300 -0.262 0.000 1.343 445 I CB -0.117 37.609 38.000 -0.456 0.000 1.046 445 I HN 0.004 nan 8.210 nan 0.000 0.405 446 R N 0.172 120.443 120.500 -0.381 0.000 2.096 446 R HA -0.165 4.575 4.340 0.667 0.000 0.235 446 R C 2.423 178.511 176.300 -0.354 0.000 1.127 446 R CA 1.166 57.047 56.100 -0.365 0.000 0.968 446 R CB -0.381 29.711 30.300 -0.348 0.000 0.861 446 R HN 0.294 nan 8.270 nan 0.000 0.440 447 R N 0.798 121.025 120.500 -0.456 0.000 2.120 447 R HA -0.086 4.654 4.340 0.667 0.000 0.234 447 R C 1.555 177.695 176.300 -0.267 0.000 1.123 447 R CA 1.287 57.142 56.100 -0.407 0.000 0.975 447 R CB 0.062 30.015 30.300 -0.578 0.000 0.866 447 R HN 0.213 nan 8.270 nan 0.000 0.446 448 L N 0.085 121.163 121.223 -0.241 0.000 2.701 448 L HA 0.169 4.909 4.340 0.667 0.000 0.238 448 L C 1.966 178.742 176.870 -0.157 0.000 1.106 448 L CA -0.109 54.606 54.840 -0.209 0.000 0.898 448 L CB 0.075 41.900 42.059 -0.390 0.000 1.188 448 L HN 0.157 nan 8.230 nan 0.000 0.508 449 R N -0.206 120.192 120.500 -0.171 0.000 2.285 449 R HA -0.028 4.712 4.340 0.667 0.000 0.213 449 R C 0.785 176.974 176.300 -0.185 0.000 1.068 449 R CA 0.924 56.946 56.100 -0.129 0.000 1.004 449 R CB -0.451 29.723 30.300 -0.212 0.000 0.873 449 R HN 0.381 nan 8.270 nan 0.000 0.467 450 N N 0.604 119.068 118.700 -0.394 0.000 2.336 450 N HA -0.007 5.133 4.740 0.667 0.000 0.189 450 N C -0.454 174.749 175.510 -0.512 0.000 1.113 450 N CA 0.085 52.810 53.050 -0.541 0.000 0.858 450 N CB 0.175 38.052 38.487 -1.017 0.000 0.970 450 N HN 0.300 nan 8.380 nan 0.000 0.471 451 H N 0.920 119.826 119.070 -0.274 0.000 2.878 451 H HA 0.163 5.119 4.556 0.668 0.000 0.290 451 H C 1.120 176.279 175.328 -0.282 0.000 1.065 451 H CA -0.201 55.719 56.048 -0.213 0.000 1.477 451 H CB 1.333 31.037 29.762 -0.097 0.000 1.484 451 H HN 0.104 nan 8.280 nan 0.000 0.504 452 A N 3.586 126.222 122.820 -0.306 0.000 1.948 452 A HA -0.251 4.470 4.320 0.667 0.000 0.220 452 A C 2.397 179.494 177.584 -0.811 0.000 1.177 452 A CA 2.071 53.680 52.037 -0.712 0.000 0.636 452 A CB -0.516 17.753 19.000 -1.220 0.000 0.815 452 A HN 0.736 nan 8.150 nan 0.000 0.449 453 S N -0.991 114.451 115.700 -0.431 0.000 2.423 453 S HA 0.033 4.903 4.470 0.667 0.000 0.231 453 S C 0.721 175.272 174.600 -0.082 0.000 1.014 453 S CA 0.570 58.649 58.200 -0.201 0.000 0.965 453 S CB -0.696 62.506 63.200 0.004 0.000 0.785 453 S HN 0.462 nan 8.310 nan 0.000 0.495 454 L N 1.781 122.985 121.223 -0.031 0.000 2.477 454 L HA 0.544 5.284 4.340 0.667 0.000 0.272 454 L C 0.798 177.624 176.870 -0.074 0.000 1.157 454 L CA 0.200 55.029 54.840 -0.018 0.000 0.889 454 L CB 0.477 42.498 42.059 -0.064 0.000 1.158 454 L HN 0.182 nan 8.230 nan 0.000 0.473 455 A N 6.405 129.193 122.820 -0.054 0.000 2.127 455 A HA 0.499 5.219 4.320 0.667 0.000 0.204 455 A C 0.382 178.003 177.584 0.061 0.000 1.243 455 A CA 0.798 52.856 52.037 0.035 0.000 0.887 455 A CB 0.062 19.116 19.000 0.090 0.000 0.933 455 A HN 0.795 nan 8.150 nan 0.000 0.479 456 M N -4.519 115.041 119.600 -0.066 0.000 2.853 456 M HA 0.579 5.460 4.480 0.667 0.000 0.273 456 M C -2.371 173.783 176.300 -0.243 0.000 1.128 456 M CA -0.686 54.591 55.300 -0.038 0.000 0.814 456 M CB 0.750 33.373 32.600 0.038 0.000 1.667 456 M HN 0.047 nan 8.290 nan 0.000 0.519 457 W N 0.681 121.979 121.300 -0.003 0.000 2.689 457 W HA 0.780 5.841 4.660 0.669 0.000 0.340 457 W C -1.065 175.424 176.519 -0.050 0.000 1.060 457 W CA -0.413 56.947 57.345 0.026 0.000 1.218 457 W CB 2.039 31.624 29.460 0.209 0.000 1.410 457 W HN 0.870 nan 8.180 nan 0.000 0.528 458 C N 2.346 121.830 119.300 0.307 0.000 2.431 458 C HA 0.595 5.456 4.460 0.667 0.000 0.321 458 C C 1.489 176.757 174.990 0.463 0.000 1.202 458 C CA 0.037 59.154 59.018 0.164 0.000 1.398 458 C CB 0.308 28.269 27.740 0.369 0.000 2.047 458 C HN 0.994 nan 8.230 nan 0.000 0.465 459 G N 4.285 113.248 108.800 0.271 0.000 2.440 459 G HA2 0.017 4.378 3.960 0.667 0.000 0.218 459 G HA3 0.017 4.378 3.960 0.667 0.000 0.218 459 G C 0.303 175.471 174.900 0.446 0.000 1.154 459 G CA 1.457 46.922 45.100 0.608 0.000 0.767 459 G HN 1.078 nan 8.290 nan 0.000 0.552 460 N N -2.572 116.210 118.700 0.136 0.000 3.116 460 N HA 0.218 5.358 4.740 0.667 0.000 0.244 460 N C -1.590 174.002 175.510 0.137 0.000 1.485 460 N CA -0.929 52.175 53.050 0.091 0.000 0.884 460 N CB 0.619 38.919 38.487 -0.312 0.000 1.415 460 N HN -0.010 nan 8.380 nan 0.000 0.524 461 N N -0.134 118.665 118.700 0.164 0.000 2.457 461 N HA 0.276 5.416 4.740 0.667 0.000 0.250 461 N C -0.934 174.722 175.510 0.243 0.000 0.982 461 N CA -0.205 53.006 53.050 0.268 0.000 0.941 461 N CB 0.361 39.047 38.487 0.331 0.000 1.120 461 N HN 0.752 nan 8.380 nan 0.000 0.505 462 E N 1.441 121.729 120.200 0.147 0.000 3.628 462 E HA -0.262 4.489 4.350 0.667 0.000 0.309 462 E C 0.546 177.063 176.600 -0.138 0.000 0.839 462 E CA 0.588 57.001 56.400 0.021 0.000 1.123 462 E CB -1.278 28.557 29.700 0.225 0.000 1.568 462 E HN 0.679 nan 8.360 nan 0.000 0.440 463 I N -0.045 120.513 120.570 -0.020 0.000 2.233 463 I HA -0.220 4.351 4.170 0.667 0.000 0.243 463 I C 2.439 178.498 176.117 -0.097 0.000 1.093 463 I CA 0.970 62.284 61.300 0.024 0.000 1.380 463 I CB -0.192 37.919 38.000 0.185 0.000 1.067 463 I HN 0.122 nan 8.210 nan 0.000 0.413 464 L N 1.201 122.345 121.223 -0.132 0.000 2.042 464 L HA -0.241 4.500 4.340 0.667 0.000 0.210 464 L C 2.465 179.129 176.870 -0.342 0.000 1.076 464 L CA 1.906 56.522 54.840 -0.372 0.000 0.749 464 L CB -0.609 41.300 42.059 -0.251 0.000 0.893 464 L HN 0.251 nan 8.230 nan 0.000 0.432 465 E N -0.664 119.356 120.200 -0.299 0.000 2.058 465 E HA -0.281 4.469 4.350 0.667 0.000 0.194 465 E C 2.142 178.250 176.600 -0.820 0.000 0.997 465 E CA 1.377 57.573 56.400 -0.341 0.000 0.801 465 E CB -0.252 29.331 29.700 -0.194 0.000 0.746 465 E HN 0.578 nan 8.360 nan 0.000 0.450 466 A N 0.950 122.996 122.820 -1.290 0.000 1.892 466 A HA -0.219 4.501 4.320 0.667 0.000 0.218 466 A C 2.249 179.396 177.584 -0.728 0.000 1.188 466 A CA 1.683 52.817 52.037 -1.505 0.000 0.631 466 A CB -0.852 17.643 19.000 -0.841 0.000 0.822 466 A HN 0.369 nan 8.150 nan 0.000 0.447 467 L N -1.317 119.698 121.223 -0.348 0.000 2.093 467 L HA -0.177 4.563 4.340 0.667 0.000 0.208 467 L C 2.600 179.374 176.870 -0.159 0.000 1.085 467 L CA 1.749 56.532 54.840 -0.095 0.000 0.755 467 L CB -0.267 41.691 42.059 -0.168 0.000 0.904 467 L HN 0.366 nan 8.230 nan 0.000 0.435 468 K N -1.398 118.739 120.400 -0.439 0.000 2.098 468 K HA -0.044 4.677 4.320 0.667 0.000 0.203 468 K C 1.290 177.479 176.600 -0.684 0.000 1.051 468 K CA 1.117 56.995 56.287 -0.683 0.000 0.957 468 K CB 0.132 31.904 32.500 -1.213 0.000 0.738 468 K HN 0.168 nan 8.250 nan 0.000 0.447 469 Y N -2.551 117.636 120.300 -0.188 0.000 2.453 469 Y HA 0.111 5.062 4.550 0.668 0.000 0.247 469 Y C 0.670 176.619 175.900 0.082 0.000 1.124 469 Y CA -0.703 57.355 58.100 -0.070 0.000 1.243 469 Y CB 0.413 38.844 38.460 -0.048 0.000 1.213 469 Y HN 0.077 nan 8.280 nan 0.000 0.523 470 W N 0.525 121.663 121.300 -0.270 0.000 3.316 470 W HA 0.517 5.578 4.660 0.667 0.000 0.327 470 W C 1.243 177.567 176.519 -0.325 0.000 1.232 470 W CA 0.014 57.129 57.345 -0.382 0.000 1.805 470 W CB -0.381 28.676 29.460 -0.672 0.000 1.090 470 W HN 0.161 nan 8.180 nan 0.000 0.654 471 G N 0.048 108.846 108.800 -0.004 0.000 2.171 471 G HA2 -0.323 4.037 3.960 0.667 0.000 0.238 471 G HA3 -0.323 4.037 3.960 0.667 0.000 0.238 471 G C 0.540 175.557 174.900 0.194 0.000 1.039 471 G CA 0.022 45.161 45.100 0.065 0.000 0.759 471 G HN 0.096 nan 8.290 nan 0.000 0.501 472 F N 0.317 120.331 119.950 0.107 0.000 2.335 472 F HA 0.164 5.091 4.527 0.667 0.000 0.296 472 F C 2.287 178.103 175.800 0.027 0.000 1.091 472 F CA 0.863 58.954 58.000 0.150 0.000 1.399 472 F CB -0.378 38.840 39.000 0.363 0.000 1.067 472 F HN 0.461 nan 8.300 nan 0.000 0.520 473 E N 0.928 121.106 120.200 -0.035 0.000 2.160 473 E HA -0.230 4.520 4.350 0.667 0.000 0.195 473 E C 2.274 178.751 176.600 -0.206 0.000 0.991 473 E CA 1.631 57.746 56.400 -0.474 0.000 0.810 473 E CB 0.109 29.353 29.700 -0.760 0.000 0.742 473 E HN 0.399 nan 8.360 nan 0.000 0.466 474 K N 1.073 121.405 120.400 -0.113 0.000 2.432 474 K HA -0.040 4.680 4.320 0.667 0.000 0.196 474 K C 1.662 178.174 176.600 -0.147 0.000 1.038 474 K CA 0.826 57.053 56.287 -0.100 0.000 0.986 474 K CB -0.175 32.289 32.500 -0.060 0.000 0.782 474 K HN 0.021 nan 8.250 nan 0.000 0.485 475 K N -1.378 118.874 120.400 -0.246 0.000 2.356 475 K HA 0.245 4.965 4.320 0.667 0.000 0.195 475 K C -0.742 175.331 176.600 -0.879 0.000 1.037 475 K CA 0.062 55.996 56.287 -0.588 0.000 1.014 475 K CB 0.223 32.213 32.500 -0.849 0.000 0.815 475 K HN 0.362 nan 8.250 nan 0.000 0.507 476 F N 0.115 120.027 119.950 -0.064 0.000 2.611 476 F HA 0.158 5.085 4.527 0.667 0.000 0.324 476 F C 0.652 176.400 175.800 -0.086 0.000 1.061 476 F CA -1.464 56.471 58.000 -0.108 0.000 0.954 476 F CB 0.838 39.726 39.000 -0.187 0.000 1.301 476 F HN -0.176 nan 8.300 nan 0.000 0.482 477 T N -1.299 113.325 114.554 0.117 0.000 2.855 477 T HA 0.096 4.847 4.350 0.667 0.000 0.322 477 T C -2.049 172.690 174.700 0.065 0.000 1.088 477 T CA -0.967 61.165 62.100 0.053 0.000 1.104 477 T CB 0.597 69.485 68.868 0.034 0.000 0.996 477 T HN 0.313 nan 8.240 nan 0.000 0.549 478 P HA -0.030 nan 4.420 nan 0.000 0.219 478 P C 1.215 178.560 177.300 0.075 0.000 1.146 478 P CA 0.920 64.059 63.100 0.065 0.000 0.808 478 P CB 0.057 31.778 31.700 0.035 0.000 0.779 479 E N -0.972 119.250 120.200 0.037 0.000 2.107 479 E HA -0.084 4.666 4.350 0.667 0.000 0.191 479 E C 2.018 178.601 176.600 -0.028 0.000 0.982 479 E CA 0.722 57.133 56.400 0.018 0.000 0.809 479 E CB -1.148 28.561 29.700 0.015 0.000 0.756 479 E HN 0.005 nan 8.360 nan 0.000 0.459 480 V N 0.327 120.188 119.914 -0.087 0.000 2.270 480 V HA -0.259 4.262 4.120 0.667 0.000 0.245 480 V C 1.964 177.880 176.094 -0.297 0.000 1.043 480 V CA 1.845 63.963 62.300 -0.304 0.000 1.014 480 V CB -0.537 30.957 31.823 -0.547 0.000 0.645 480 V HN 0.301 nan 8.190 nan 0.000 0.447 481 Y N 1.128 121.278 120.300 -0.250 0.000 2.114 481 Y HA -0.349 4.602 4.550 0.667 0.000 0.282 481 Y C 2.968 178.785 175.900 -0.139 0.000 1.165 481 Y CA 2.590 60.587 58.100 -0.172 0.000 1.148 481 Y CB -0.686 37.755 38.460 -0.031 0.000 0.972 481 Y HN 0.231 nan 8.280 nan 0.000 0.504 482 Q N -0.030 119.737 119.800 -0.056 0.000 2.135 482 Q HA -0.132 4.609 4.340 0.667 0.000 0.204 482 Q C 2.438 178.354 176.000 -0.139 0.000 0.981 482 Q CA 1.605 57.321 55.803 -0.145 0.000 0.856 482 Q CB -1.361 27.378 28.738 0.001 0.000 0.902 482 Q HN 0.767 nan 8.270 nan 0.000 0.425 483 G N 0.278 109.040 108.800 -0.065 0.000 2.408 483 G HA2 -0.154 4.207 3.960 0.667 0.000 0.217 483 G HA3 -0.154 4.207 3.960 0.667 0.000 0.217 483 G C 1.446 176.309 174.900 -0.063 0.000 1.150 483 G CA 0.918 46.017 45.100 -0.001 0.000 0.776 483 G HN 0.527 nan 8.290 nan 0.000 0.542 484 L N 0.089 121.185 121.223 -0.213 0.000 2.046 484 L HA -0.090 4.651 4.340 0.667 0.000 0.208 484 L C 3.083 179.852 176.870 -0.168 0.000 1.077 484 L CA 0.774 55.494 54.840 -0.200 0.000 0.747 484 L CB -0.389 41.462 42.059 -0.347 0.000 0.896 484 L HN 0.152 nan 8.230 nan 0.000 0.432 485 M N -1.065 118.322 119.600 -0.355 0.000 2.099 485 M HA -0.162 4.718 4.480 0.667 0.000 0.262 485 M C 2.400 178.609 176.300 -0.152 0.000 1.067 485 M CA 1.686 56.792 55.300 -0.324 0.000 1.124 485 M CB -1.418 30.883 32.600 -0.500 0.000 1.353 485 M HN 0.278 nan 8.290 nan 0.000 0.410 486 H N -0.235 118.799 119.070 -0.059 0.000 2.353 486 H HA -0.022 4.935 4.556 0.667 0.000 0.300 486 H C 2.234 177.567 175.328 0.008 0.000 1.090 486 H CA 1.733 57.769 56.048 -0.021 0.000 1.327 486 H CB -0.810 28.934 29.762 -0.031 0.000 1.383 486 H HN 0.430 nan 8.280 nan 0.000 0.508 487 G N -0.196 108.679 108.800 0.125 0.000 2.422 487 G HA2 -0.313 4.048 3.960 0.667 0.000 0.218 487 G HA3 -0.313 4.048 3.960 0.667 0.000 0.218 487 G C 1.735 176.681 174.900 0.077 0.000 1.146 487 G CA 0.701 45.851 45.100 0.083 0.000 0.769 487 G HN 0.443 nan 8.290 nan 0.000 0.547 488 Y N 1.828 122.153 120.300 0.043 0.000 2.097 488 Y HA -0.189 4.761 4.550 0.667 0.000 0.282 488 Y C 2.553 178.512 175.900 0.097 0.000 1.152 488 Y CA 2.130 60.316 58.100 0.144 0.000 1.136 488 Y CB -0.024 38.498 38.460 0.103 0.000 0.975 488 Y HN 0.194 nan 8.280 nan 0.000 0.498 489 D N 0.125 120.679 120.400 0.257 0.000 2.123 489 D HA -0.187 4.853 4.640 0.667 0.000 0.196 489 D C 1.955 178.231 176.300 -0.041 0.000 0.992 489 D CA 1.730 55.800 54.000 0.117 0.000 0.833 489 D CB -0.264 40.600 40.800 0.106 0.000 0.954 489 D HN 0.443 nan 8.370 nan 0.000 0.455 490 K N -0.226 120.132 120.400 -0.071 0.000 2.097 490 K HA -0.091 4.630 4.320 0.667 0.000 0.205 490 K C 1.921 178.363 176.600 -0.264 0.000 1.050 490 K CA 0.366 56.575 56.287 -0.129 0.000 0.938 490 K CB 0.016 32.462 32.500 -0.090 0.000 0.718 490 K HN 0.055 nan 8.250 nan 0.000 0.442 491 L N -0.141 120.820 121.223 -0.437 0.000 2.071 491 L HA 0.034 4.774 4.340 0.667 0.000 0.201 491 L C 1.637 177.992 176.870 -0.857 0.000 1.076 491 L CA 1.715 56.075 54.840 -0.799 0.000 0.755 491 L CB -0.398 40.880 42.059 -1.302 0.000 0.915 491 L HN -0.009 nan 8.230 nan 0.000 0.445 492 F N -0.582 119.110 119.950 -0.430 0.000 2.698 492 F HA 0.205 5.132 4.527 0.668 0.000 0.295 492 F C 2.151 177.912 175.800 -0.065 0.000 1.124 492 F CA 0.369 58.193 58.000 -0.294 0.000 1.426 492 F CB -0.265 38.414 39.000 -0.535 0.000 1.120 492 F HN -0.002 nan 8.300 nan 0.000 0.583 493 R N -0.523 119.983 120.500 0.010 0.000 2.397 493 R HA 0.182 4.923 4.340 0.667 0.000 0.241 493 R C 0.845 177.106 176.300 -0.067 0.000 0.914 493 R CA 0.324 56.445 56.100 0.035 0.000 1.071 493 R CB 0.365 30.683 30.300 0.029 0.000 1.116 493 R HN 0.305 nan 8.270 nan 0.000 0.524 494 E N -0.357 119.754 120.200 -0.149 0.000 3.596 494 E HA 0.017 4.768 4.350 0.667 0.000 0.188 494 E C 1.143 177.598 176.600 -0.242 0.000 1.232 494 E CA -0.192 56.107 56.400 -0.169 0.000 1.460 494 E CB -0.093 29.528 29.700 -0.132 0.000 1.513 494 E HN -0.066 nan 8.360 nan 0.000 0.530 495 L N 1.993 123.046 121.223 -0.282 0.000 1.976 495 L HA -0.099 4.642 4.340 0.667 0.000 0.209 495 L C 2.053 178.681 176.870 -0.403 0.000 1.071 495 L CA 1.757 56.412 54.840 -0.310 0.000 0.746 495 L CB -0.460 41.406 42.059 -0.323 0.000 0.890 495 L HN 0.143 nan 8.230 nan 0.000 0.432 496 L N 0.077 120.985 121.223 -0.524 0.000 2.027 496 L HA -0.089 4.652 4.340 0.667 0.000 0.206 496 L C -0.174 176.177 176.870 -0.864 0.000 1.074 496 L CA 1.265 55.675 54.840 -0.717 0.000 0.745 496 L CB -2.212 39.374 42.059 -0.788 0.000 0.898 496 L HN 0.283 nan 8.230 nan 0.000 0.433 497 P HA -0.171 nan 4.420 nan 0.000 0.216 497 P C 1.752 178.760 177.300 -0.486 0.000 1.150 497 P CA 2.012 64.525 63.100 -0.978 0.000 0.837 497 P CB -0.074 31.265 31.700 -0.601 0.000 0.786 498 S N -0.893 114.591 115.700 -0.360 0.000 2.368 498 S HA -0.130 4.740 4.470 0.667 0.000 0.225 498 S C 1.992 176.470 174.600 -0.203 0.000 1.030 498 S CA 1.964 60.021 58.200 -0.237 0.000 0.999 498 S CB -2.019 61.069 63.200 -0.188 0.000 0.844 498 S HN 0.131 nan 8.310 nan 0.000 0.459 499 T N 2.350 116.769 114.554 -0.224 0.000 2.777 499 T HA 0.008 4.758 4.350 0.667 0.000 0.266 499 T C 1.943 176.604 174.700 -0.065 0.000 1.040 499 T CA 1.344 63.393 62.100 -0.086 0.000 1.141 499 T CB -0.651 68.107 68.868 -0.182 0.000 0.868 499 T HN 0.285 nan 8.240 nan 0.000 0.444 500 V N 1.549 121.323 119.914 -0.234 0.000 2.332 500 V HA -0.192 4.329 4.120 0.667 0.000 0.248 500 V C 2.504 178.527 176.094 -0.119 0.000 1.055 500 V CA 1.652 63.826 62.300 -0.211 0.000 1.038 500 V CB -0.523 31.167 31.823 -0.221 0.000 0.651 500 V HN 0.422 nan 8.190 nan 0.000 0.450 501 K N -0.289 120.021 120.400 -0.149 0.000 2.148 501 K HA -0.228 4.492 4.320 0.667 0.000 0.204 501 K C 2.220 178.729 176.600 -0.152 0.000 1.050 501 K CA 1.736 57.950 56.287 -0.123 0.000 0.942 501 K CB -0.006 32.412 32.500 -0.136 0.000 0.724 501 K HN 0.624 nan 8.250 nan 0.000 0.446 502 E N -1.001 119.073 120.200 -0.209 0.000 2.086 502 E HA -0.101 4.650 4.350 0.667 0.000 0.190 502 E C 0.931 177.192 176.600 -0.566 0.000 0.975 502 E CA 0.890 57.040 56.400 -0.417 0.000 0.813 502 E CB 0.152 29.504 29.700 -0.581 0.000 0.768 502 E HN 0.256 nan 8.360 nan 0.000 0.457 503 F N -0.477 119.378 119.950 -0.160 0.000 2.706 503 F HA 0.273 5.200 4.527 0.667 0.000 0.308 503 F C 0.356 176.017 175.800 -0.233 0.000 1.095 503 F CA -0.213 57.662 58.000 -0.208 0.000 1.244 503 F CB 1.130 39.977 39.000 -0.255 0.000 1.063 503 F HN -0.119 nan 8.300 nan 0.000 0.582 504 D N -0.725 119.677 120.400 0.004 0.000 3.220 504 D HA 0.084 5.125 4.640 0.667 0.000 0.309 504 D C 1.021 177.369 176.300 0.081 0.000 1.276 504 D CA 0.267 54.303 54.000 0.060 0.000 0.736 504 D CB 0.237 41.117 40.800 0.133 0.000 1.304 504 D HN 0.023 nan 8.370 nan 0.000 0.582 505 S N -0.738 114.996 115.700 0.056 0.000 2.474 505 S HA -0.101 4.769 4.470 0.667 0.000 0.235 505 S C 1.028 175.659 174.600 0.053 0.000 0.997 505 S CA 0.679 58.896 58.200 0.028 0.000 0.949 505 S CB 0.239 63.441 63.200 0.002 0.000 0.766 505 S HN 0.187 nan 8.310 nan 0.000 0.517 506 D N 0.915 121.364 120.400 0.081 0.000 2.349 506 D HA 0.196 5.237 4.640 0.667 0.000 0.214 506 D C 0.408 176.768 176.300 0.100 0.000 1.063 506 D CA 0.109 54.153 54.000 0.073 0.000 0.847 506 D CB 0.299 41.131 40.800 0.055 0.000 0.933 506 D HN 0.433 nan 8.370 nan 0.000 0.513 507 R N 0.259 120.848 120.500 0.149 0.000 2.604 507 R HA 0.327 5.067 4.340 0.667 0.000 0.287 507 R C -0.376 176.073 176.300 0.248 0.000 0.970 507 R CA -0.838 55.383 56.100 0.202 0.000 0.946 507 R CB 1.635 32.102 30.300 0.279 0.000 1.127 507 R HN -0.107 nan 8.270 nan 0.000 0.473 508 F N 2.426 122.409 119.950 0.054 0.000 2.418 508 F HA 0.167 5.095 4.527 0.667 0.000 0.341 508 F C -0.735 175.156 175.800 0.152 0.000 1.120 508 F CA -0.069 57.934 58.000 0.006 0.000 1.232 508 F CB 0.431 39.318 39.000 -0.189 0.000 1.175 508 F HN 0.397 nan 8.300 nan 0.000 0.569 509 Y N 5.761 125.602 120.300 -0.765 0.000 2.442 509 Y HA 0.628 5.578 4.550 0.668 0.000 0.344 509 Y C -1.894 173.422 175.900 -0.974 0.000 0.976 509 Y CA -1.048 56.740 58.100 -0.521 0.000 1.040 509 Y CB 1.547 39.897 38.460 -0.182 0.000 1.228 509 Y HN 0.605 nan 8.280 nan 0.000 0.451 510 V N 6.138 125.278 119.914 -1.290 0.000 2.876 510 V HA 0.280 4.800 4.120 0.667 0.000 0.312 510 V C 0.127 175.557 176.094 -1.105 0.000 1.085 510 V CA -0.378 61.356 62.300 -0.943 0.000 0.945 510 V CB 1.692 33.279 31.823 -0.393 0.000 1.017 510 V HN 1.052 nan 8.190 nan 0.000 0.428 511 H N 2.792 121.576 119.070 -0.476 0.000 2.495 511 H HA 0.389 5.346 4.556 0.668 0.000 0.287 511 H C 0.716 176.012 175.328 -0.053 0.000 1.033 511 H CA 1.059 57.027 56.048 -0.133 0.000 1.307 511 H CB 0.190 30.078 29.762 0.209 0.000 1.401 511 H HN 0.588 nan 8.280 nan 0.000 0.555 512 S N -1.068 114.337 115.700 -0.492 0.000 2.578 512 S HA 0.453 5.324 4.470 0.667 0.000 0.272 512 S C -1.638 172.921 174.600 -0.068 0.000 1.145 512 S CA -0.446 57.629 58.200 -0.208 0.000 0.835 512 S CB 1.483 64.631 63.200 -0.086 0.000 1.104 512 S HN 0.385 nan 8.310 nan 0.000 0.458 513 S N 3.068 118.824 115.700 0.093 0.000 2.659 513 S HA 0.722 5.592 4.470 0.667 0.000 0.312 513 S C -2.979 171.526 174.600 -0.157 0.000 1.114 513 S CA -1.476 56.830 58.200 0.177 0.000 1.063 513 S CB 1.549 65.110 63.200 0.601 0.000 0.996 513 S HN 0.549 nan 8.310 nan 0.000 0.478 514 P HA 0.197 nan 4.420 nan 0.000 0.284 514 P C 0.134 177.341 177.300 -0.156 0.000 1.253 514 P CA -0.476 62.473 63.100 -0.251 0.000 0.800 514 P CB 0.464 31.998 31.700 -0.276 0.000 0.961 515 Y N 2.851 123.055 120.300 -0.160 0.000 2.373 515 Y HA 0.055 5.005 4.550 0.667 0.000 0.293 515 Y C 1.239 177.129 175.900 -0.017 0.000 1.129 515 Y CA 1.025 59.015 58.100 -0.183 0.000 1.226 515 Y CB -0.272 38.041 38.460 -0.245 0.000 1.000 515 Y HN 0.163 nan 8.280 nan 0.000 0.549 516 L N -0.443 120.642 121.223 -0.230 0.000 2.718 516 L HA 0.561 5.301 4.340 0.667 0.000 0.247 516 L C 0.753 177.610 176.870 -0.023 0.000 1.028 516 L CA 0.737 55.560 54.840 -0.028 0.000 1.031 516 L CB -0.595 41.484 42.059 0.034 0.000 1.910 516 L HN 0.186 nan 8.230 nan 0.000 0.526 517 A N 1.984 124.736 122.820 -0.114 0.000 2.445 517 A HA 0.312 5.032 4.320 0.667 0.000 0.242 517 A C 0.024 177.644 177.584 0.060 0.000 1.075 517 A CA 0.050 52.100 52.037 0.021 0.000 0.777 517 A CB -0.076 18.954 19.000 0.050 0.000 1.013 517 A HN 0.545 nan 8.150 nan 0.000 0.493 518 N N 2.147 120.892 118.700 0.075 0.000 2.249 518 N HA 0.140 5.281 4.740 0.667 0.000 0.296 518 N C 0.790 176.406 175.510 0.177 0.000 1.051 518 N CA -0.663 52.364 53.050 -0.038 0.000 0.815 518 N CB 1.010 39.163 38.487 -0.557 0.000 1.487 518 N HN 0.879 nan 8.380 nan 0.000 0.475 519 W N 3.072 124.501 121.300 0.216 0.000 2.421 519 W HA 0.083 5.145 4.660 0.670 0.000 0.270 519 W C 0.577 177.362 176.519 0.442 0.000 1.233 519 W CA 0.867 58.394 57.345 0.304 0.000 1.226 519 W CB -0.569 29.008 29.460 0.195 0.000 1.121 519 W HN 0.569 nan 8.180 nan 0.000 0.579 520 G N 1.047 109.634 108.800 -0.356 0.000 3.042 520 G HA2 0.092 4.452 3.960 0.667 0.000 0.212 520 G HA3 0.092 4.452 3.960 0.667 0.000 0.212 520 G C 0.551 175.336 174.900 -0.192 0.000 1.166 520 G CA -0.572 44.276 45.100 -0.419 0.000 0.767 520 G HN 0.100 nan 8.290 nan 0.000 0.546 521 R N 0.172 120.596 120.500 -0.126 0.000 2.443 521 R HA 0.303 5.043 4.340 0.667 0.000 0.287 521 R C -1.901 174.018 176.300 -0.636 0.000 1.425 521 R CA -1.517 54.405 56.100 -0.296 0.000 1.300 521 R CB 1.949 32.070 30.300 -0.299 0.000 1.129 521 R HN -0.048 nan 8.270 nan 0.000 0.577 522 P HA -0.261 nan 4.420 nan 0.000 0.217 522 P C 0.951 177.594 177.300 -1.095 0.000 1.148 522 P CA 1.146 63.078 63.100 -1.947 0.000 0.828 522 P CB 0.345 31.372 31.700 -1.123 0.000 0.783 523 E N 0.154 120.019 120.200 -0.558 0.000 2.274 523 E HA -0.104 4.646 4.350 0.667 0.000 0.194 523 E C 1.408 177.913 176.600 -0.158 0.000 0.996 523 E CA 1.590 57.828 56.400 -0.270 0.000 0.840 523 E CB -0.969 28.631 29.700 -0.166 0.000 0.772 523 E HN 0.336 nan 8.360 nan 0.000 0.491 524 S N -0.615 114.981 115.700 -0.172 0.000 2.558 524 S HA 0.016 4.887 4.470 0.667 0.000 0.217 524 S C 1.320 176.010 174.600 0.150 0.000 0.975 524 S CA -0.318 57.881 58.200 -0.003 0.000 0.912 524 S CB -0.644 62.567 63.200 0.019 0.000 0.776 524 S HN 0.225 nan 8.310 nan 0.000 0.526 525 W N 2.515 123.839 121.300 0.039 0.000 2.387 525 W HA 0.231 5.292 4.660 0.670 0.000 0.272 525 W C 1.999 178.569 176.519 0.085 0.000 1.224 525 W CA 0.363 57.750 57.345 0.070 0.000 1.210 525 W CB -1.321 28.207 29.460 0.113 0.000 1.125 525 W HN 0.532 nan 8.180 nan 0.000 0.572 526 G N -0.811 108.159 108.800 0.285 0.000 3.189 526 G HA2 0.084 4.445 3.960 0.667 0.000 0.225 526 G HA3 0.084 4.445 3.960 0.667 0.000 0.225 526 G C -0.079 174.865 174.900 0.072 0.000 1.159 526 G CA -0.010 45.194 45.100 0.173 0.000 0.763 526 G HN -0.000 nan 8.290 nan 0.000 0.549 527 T N 1.345 115.936 114.554 0.061 0.000 2.947 527 T HA 0.568 5.319 4.350 0.667 0.000 0.337 527 T C 0.892 175.492 174.700 -0.166 0.000 1.139 527 T CA 0.276 62.383 62.100 0.012 0.000 0.992 527 T CB 1.029 69.915 68.868 0.029 0.000 1.043 527 T HN 0.813 nan 8.240 nan 0.000 0.498 528 G N 4.279 113.030 108.800 -0.082 0.000 2.601 528 G HA2 -0.207 4.154 3.960 0.667 0.000 0.261 528 G HA3 -0.207 4.154 3.960 0.667 0.000 0.261 528 G C -0.450 174.253 174.900 -0.330 0.000 1.289 528 G CA -0.104 44.842 45.100 -0.258 0.000 0.920 528 G HN 0.847 nan 8.290 nan 0.000 0.571 529 D N -0.173 119.844 120.400 -0.637 0.000 2.329 529 D HA 0.592 5.632 4.640 0.667 0.000 0.246 529 D C -0.083 176.128 176.300 -0.149 0.000 1.111 529 D CA 0.213 54.000 54.000 -0.355 0.000 0.941 529 D CB 1.398 41.867 40.800 -0.553 0.000 1.169 529 D HN 0.562 nan 8.370 nan 0.000 0.441 530 S N -0.602 115.125 115.700 0.044 0.000 2.526 530 S HA 0.278 5.148 4.470 0.667 0.000 0.293 530 S C -0.777 173.980 174.600 0.262 0.000 1.092 530 S CA -0.759 57.496 58.200 0.093 0.000 0.980 530 S CB 1.181 64.378 63.200 -0.005 0.000 1.048 530 S HN 0.414 nan 8.310 nan 0.000 0.483 531 H N 2.339 121.455 119.070 0.078 0.000 2.746 531 H HA 0.231 5.188 4.556 0.669 0.000 0.269 531 H C -0.276 175.050 175.328 -0.004 0.000 1.248 531 H CA -0.634 55.438 56.048 0.041 0.000 1.258 531 H CB 0.412 30.337 29.762 0.272 0.000 1.441 531 H HN 0.331 nan 8.280 nan 0.000 0.508 532 N N 3.261 121.909 118.700 -0.086 0.000 2.605 532 N HA -0.057 5.083 4.740 0.667 0.000 0.258 532 N C -0.226 175.123 175.510 -0.269 0.000 1.156 532 N CA -0.163 52.824 53.050 -0.105 0.000 1.008 532 N CB -0.065 38.300 38.487 -0.203 0.000 1.354 532 N HN 0.618 nan 8.380 nan 0.000 0.509 533 W N 1.518 122.647 121.300 -0.286 0.000 3.400 533 W HA 0.309 5.369 4.660 0.666 0.000 0.347 533 W C 1.905 177.813 176.519 -1.019 0.000 1.218 533 W CA -0.618 56.442 57.345 -0.475 0.000 1.837 533 W CB 0.425 29.695 29.460 -0.316 0.000 1.067 533 W HN 0.551 nan 8.180 nan 0.000 0.701 534 G N 0.371 108.719 108.800 -0.755 0.000 2.422 534 G HA2 -0.194 4.167 3.960 0.667 0.000 0.218 534 G HA3 -0.194 4.167 3.960 0.667 0.000 0.218 534 G C 0.641 175.489 174.900 -0.087 0.000 1.146 534 G CA 0.466 45.286 45.100 -0.468 0.000 0.769 534 G HN -0.028 nan 8.290 nan 0.000 0.547 535 V N 0.798 120.750 119.914 0.064 0.000 2.555 535 V HA 0.260 4.780 4.120 0.667 0.000 0.286 535 V C 0.820 177.185 176.094 0.453 0.000 1.044 535 V CA -0.126 62.318 62.300 0.240 0.000 1.026 535 V CB 0.448 32.416 31.823 0.242 0.000 0.981 535 V HN 0.604 nan 8.190 nan 0.000 0.480 536 W N 3.540 124.959 121.300 0.199 0.000 1.636 536 W HA -0.396 4.665 4.660 0.669 0.000 0.269 536 W C 1.433 177.977 176.519 0.043 0.000 1.819 536 W CA 1.720 59.134 57.345 0.115 0.000 2.155 536 W CB -1.397 28.245 29.460 0.303 0.000 1.018 536 W HN 0.575 nan 8.180 nan 0.000 0.439 537 Y N 1.139 121.524 120.300 0.142 0.000 2.165 537 Y HA -0.043 4.907 4.550 0.668 0.000 0.286 537 Y C 2.602 178.427 175.900 -0.125 0.000 1.155 537 Y CA 2.749 60.794 58.100 -0.092 0.000 1.164 537 Y CB -1.176 37.255 38.460 -0.048 0.000 0.978 537 Y HN 0.279 nan 8.280 nan 0.000 0.513 538 G N -1.289 107.422 108.800 -0.148 0.000 3.042 538 G HA2 0.009 4.369 3.960 0.667 0.000 0.212 538 G HA3 0.009 4.369 3.960 0.667 0.000 0.212 538 G C 0.683 175.637 174.900 0.089 0.000 1.166 538 G CA 0.144 45.239 45.100 -0.007 0.000 0.767 538 G HN 0.305 nan 8.290 nan 0.000 0.546 539 K N -1.012 119.438 120.400 0.084 0.000 3.341 539 K HA -0.171 4.550 4.320 0.667 0.000 0.305 539 K C 0.230 176.846 176.600 0.026 0.000 1.270 539 K CA 0.778 57.130 56.287 0.109 0.000 0.897 539 K CB -0.978 31.526 32.500 0.007 0.000 1.264 539 K HN 0.383 nan 8.250 nan 0.000 0.468 540 K N 1.566 122.022 120.400 0.093 0.000 2.295 540 K HA 0.145 4.866 4.320 0.667 0.000 0.270 540 K C -2.141 174.429 176.600 -0.050 0.000 1.011 540 K CA -1.492 54.812 56.287 0.027 0.000 0.953 540 K CB 0.438 32.990 32.500 0.087 0.000 0.956 540 K HN -0.066 nan 8.250 nan 0.000 0.477 541 P HA -0.062 nan 4.420 nan 0.000 0.269 541 P C 0.194 177.469 177.300 -0.041 0.000 1.215 541 P CA 0.064 63.059 63.100 -0.174 0.000 0.780 541 P CB 0.366 32.008 31.700 -0.096 0.000 0.898 542 F N 0.664 120.683 119.950 0.115 0.000 2.154 542 F HA -0.189 4.741 4.527 0.672 0.000 0.301 542 F C 2.225 178.092 175.800 0.112 0.000 1.087 542 F CA 1.761 59.823 58.000 0.102 0.000 1.274 542 F CB -1.255 37.749 39.000 0.006 0.000 1.009 542 F HN 0.317 nan 8.300 nan 0.000 0.485 543 E N -0.001 120.318 120.200 0.198 0.000 2.209 543 E HA -0.188 4.563 4.350 0.667 0.000 0.196 543 E C 2.308 179.002 176.600 0.158 0.000 0.993 543 E CA 1.264 57.773 56.400 0.182 0.000 0.819 543 E CB -0.621 29.129 29.700 0.083 0.000 0.745 543 E HN 0.403 nan 8.360 nan 0.000 0.477 544 S N 0.395 116.166 115.700 0.119 0.000 2.420 544 S HA -0.169 4.702 4.470 0.667 0.000 0.237 544 S C 1.831 176.470 174.600 0.065 0.000 1.023 544 S CA 0.823 59.079 58.200 0.092 0.000 0.991 544 S CB -0.450 62.801 63.200 0.085 0.000 0.792 544 S HN 0.282 nan 8.310 nan 0.000 0.488 545 L N 1.058 122.333 121.223 0.087 0.000 2.362 545 L HA -0.034 4.706 4.340 0.667 0.000 0.219 545 L C 1.964 178.811 176.870 -0.038 0.000 1.134 545 L CA 1.028 55.873 54.840 0.009 0.000 0.807 545 L CB -0.578 41.474 42.059 -0.011 0.000 0.927 545 L HN 0.304 nan 8.230 nan 0.000 0.447 546 D N -0.631 119.772 120.400 0.006 0.000 2.213 546 D HA -0.096 4.944 4.640 0.667 0.000 0.205 546 D C 2.189 178.485 176.300 -0.008 0.000 0.961 546 D CA 1.865 55.844 54.000 -0.034 0.000 0.853 546 D CB 0.202 41.011 40.800 0.016 0.000 0.967 546 D HN 0.410 nan 8.370 nan 0.000 0.496 547 T N -1.689 112.884 114.554 0.032 0.000 3.021 547 T HA -0.016 4.734 4.350 0.667 0.000 0.245 547 T C 0.616 175.367 174.700 0.085 0.000 1.028 547 T CA -0.016 62.120 62.100 0.061 0.000 1.139 547 T CB -0.006 68.919 68.868 0.096 0.000 0.884 547 T HN -0.249 nan 8.240 nan 0.000 0.457 548 D N 2.637 123.054 120.400 0.028 0.000 2.558 548 D HA 0.381 5.421 4.640 0.667 0.000 0.221 548 D C -0.508 175.652 176.300 -0.233 0.000 1.143 548 D CA -0.057 53.855 54.000 -0.146 0.000 1.010 548 D CB 0.005 40.554 40.800 -0.419 0.000 1.068 548 D HN 0.471 nan 8.370 nan 0.000 0.511 549 L N 3.087 124.302 121.223 -0.014 0.000 2.312 549 L HA 0.433 5.173 4.340 0.667 0.000 0.281 549 L C -1.919 175.058 176.870 0.178 0.000 1.070 549 L CA -1.574 53.303 54.840 0.061 0.000 0.805 549 L CB 1.203 43.313 42.059 0.085 0.000 1.174 549 L HN 0.046 nan 8.230 nan 0.000 0.434 550 P HA 0.378 nan 4.420 nan 0.000 0.287 550 P C -0.391 176.988 177.300 0.132 0.000 1.292 550 P CA -0.771 62.380 63.100 0.084 0.000 0.879 550 P CB 1.586 33.224 31.700 -0.103 0.000 1.214 551 R N -0.272 120.255 120.500 0.045 0.000 2.236 551 R HA 0.242 4.983 4.340 0.667 0.000 0.208 551 R C 0.086 176.506 176.300 0.201 0.000 1.036 551 R CA 0.492 56.590 56.100 -0.002 0.000 1.001 551 R CB -0.868 29.427 30.300 -0.009 0.000 0.896 551 R HN 0.590 nan 8.270 nan 0.000 0.464 552 F N -0.248 119.703 119.950 0.002 0.000 2.775 552 F HA 0.211 5.139 4.527 0.668 0.000 0.339 552 F C -1.271 174.499 175.800 -0.050 0.000 1.159 552 F CA -1.089 56.929 58.000 0.031 0.000 1.145 552 F CB 0.977 40.132 39.000 0.258 0.000 1.408 552 F HN -0.235 nan 8.300 nan 0.000 0.597 553 M N 5.482 124.941 119.600 -0.235 0.000 2.319 553 M HA 0.230 5.111 4.480 0.667 0.000 0.343 553 M C 0.589 176.920 176.300 0.052 0.000 1.364 553 M CA 0.413 55.598 55.300 -0.192 0.000 1.292 553 M CB 0.537 32.769 32.600 -0.614 0.000 1.432 553 M HN 0.534 nan 8.290 nan 0.000 0.448 554 S N 2.976 118.848 115.700 0.285 0.000 2.501 554 S HA 0.200 5.071 4.470 0.667 0.000 0.220 554 S C 0.309 174.838 174.600 -0.119 0.000 0.997 554 S CA 0.051 58.389 58.200 0.231 0.000 0.919 554 S CB -0.011 63.379 63.200 0.316 0.000 0.778 554 S HN 0.767 nan 8.310 nan 0.000 0.523 555 Q N -0.250 119.444 119.800 -0.177 0.000 2.391 555 Q HA 0.653 5.393 4.340 0.667 0.000 0.279 555 Q C -1.669 174.206 176.000 -0.208 0.000 1.028 555 Q CA -0.856 54.796 55.803 -0.251 0.000 0.836 555 Q CB 2.679 31.110 28.738 -0.511 0.000 1.414 555 Q HN 0.527 nan 8.270 nan 0.000 0.397 556 F N -1.812 117.840 119.950 -0.497 0.000 2.744 556 F HA 0.875 5.803 4.527 0.668 0.000 0.311 556 F C -0.932 174.604 175.800 -0.441 0.000 1.144 556 F CA -0.639 56.910 58.000 -0.752 0.000 0.938 556 F CB 1.226 40.020 39.000 -0.345 0.000 1.292 556 F HN 0.655 nan 8.300 nan 0.000 0.444 557 G N 0.842 109.237 108.800 -0.676 0.000 2.550 557 G HA2 0.603 4.964 3.960 0.667 0.000 0.293 557 G HA3 0.603 4.964 3.960 0.667 0.000 0.293 557 G C -2.790 172.323 174.900 0.355 0.000 1.402 557 G CA -0.878 44.134 45.100 -0.147 0.000 0.784 557 G HN 1.142 nan 8.290 nan 0.000 0.482 558 F N 0.082 120.153 119.950 0.202 0.000 2.635 558 F HA 0.519 5.445 4.527 0.664 0.000 0.314 558 F C -0.182 175.384 175.800 -0.391 0.000 1.119 558 F CA -0.688 57.311 58.000 -0.001 0.000 1.000 558 F CB 2.001 41.080 39.000 0.131 0.000 1.278 558 F HN 0.530 nan 8.300 nan 0.000 0.446 559 Q N 2.740 121.487 119.800 -1.755 0.000 2.394 559 Q HA 0.525 5.266 4.340 0.667 0.000 0.248 559 Q C -0.764 174.836 176.000 -0.667 0.000 0.992 559 Q CA -0.009 54.923 55.803 -1.451 0.000 0.888 559 Q CB 1.432 29.146 28.738 -1.707 0.000 1.257 559 Q HN 0.696 nan 8.270 nan 0.000 0.462 560 S N 0.835 116.264 115.700 -0.453 0.000 2.536 560 S HA 0.478 5.349 4.470 0.667 0.000 0.271 560 S C -0.761 173.733 174.600 -0.177 0.000 1.134 560 S CA -0.887 57.179 58.200 -0.223 0.000 0.897 560 S CB 0.563 63.641 63.200 -0.204 0.000 1.094 560 S HN 0.427 nan 8.310 nan 0.000 0.473 561 F N 3.326 123.135 119.950 -0.235 0.000 2.607 561 F HA 0.277 5.202 4.527 0.664 0.000 0.374 561 F C -1.299 174.409 175.800 -0.154 0.000 1.104 561 F CA -0.651 57.262 58.000 -0.144 0.000 1.296 561 F CB 0.652 39.586 39.000 -0.110 0.000 1.085 561 F HN 0.446 nan 8.300 nan 0.000 0.584 562 P HA 0.067 nan 4.420 nan 0.000 0.274 562 P C -1.057 176.293 177.300 0.083 0.000 1.256 562 P CA -0.573 62.548 63.100 0.036 0.000 0.795 562 P CB 0.577 32.315 31.700 0.063 0.000 1.038 563 E N 0.648 120.901 120.200 0.088 0.000 2.425 563 E HA 0.027 4.778 4.350 0.667 0.000 0.258 563 E C 1.166 177.837 176.600 0.119 0.000 1.151 563 E CA -0.575 55.908 56.400 0.137 0.000 0.958 563 E CB 0.085 29.956 29.700 0.284 0.000 0.968 563 E HN 0.196 nan 8.360 nan 0.000 0.451 564 M N 1.439 121.093 119.600 0.089 0.000 2.117 564 M HA -0.178 4.702 4.480 0.667 0.000 0.262 564 M C 2.066 178.363 176.300 -0.005 0.000 1.065 564 M CA 2.097 57.388 55.300 -0.014 0.000 1.114 564 M CB -1.273 31.297 32.600 -0.050 0.000 1.361 564 M HN 0.683 nan 8.290 nan 0.000 0.408 565 K N -0.829 119.598 120.400 0.046 0.000 2.160 565 K HA -0.134 4.587 4.320 0.667 0.000 0.206 565 K C 1.645 178.262 176.600 0.027 0.000 1.047 565 K CA 1.943 58.247 56.287 0.028 0.000 0.930 565 K CB -0.802 31.717 32.500 0.031 0.000 0.720 565 K HN 0.197 nan 8.250 nan 0.000 0.450 566 T N 1.607 116.226 114.554 0.109 0.000 2.937 566 T HA 0.111 4.861 4.350 0.667 0.000 0.260 566 T C 1.915 176.715 174.700 0.166 0.000 1.051 566 T CA 0.831 63.072 62.100 0.235 0.000 1.141 566 T CB -0.144 68.940 68.868 0.359 0.000 0.879 566 T HN 0.169 nan 8.240 nan 0.000 0.459 567 I N 1.786 122.357 120.570 0.002 0.000 2.194 567 I HA -0.233 4.338 4.170 0.667 0.000 0.246 567 I C 2.870 178.660 176.117 -0.546 0.000 1.093 567 I CA 1.325 62.365 61.300 -0.432 0.000 1.355 567 I CB -0.509 37.347 38.000 -0.239 0.000 1.046 567 I HN 0.190 nan 8.210 nan 0.000 0.413 568 A N 0.571 123.291 122.820 -0.167 0.000 2.121 568 A HA -0.014 4.707 4.320 0.667 0.000 0.218 568 A C 2.446 180.047 177.584 0.028 0.000 1.154 568 A CA 1.489 53.528 52.037 0.003 0.000 0.679 568 A CB -0.552 18.506 19.000 0.096 0.000 0.795 568 A HN 0.462 nan 8.150 nan 0.000 0.458 569 A N -0.658 122.191 122.820 0.049 0.000 2.067 569 A HA 0.195 4.916 4.320 0.667 0.000 0.217 569 A C 1.581 179.388 177.584 0.372 0.000 1.156 569 A CA 1.293 53.472 52.037 0.236 0.000 0.683 569 A CB -0.515 18.677 19.000 0.319 0.000 0.808 569 A HN 1.083 nan 8.150 nan 0.000 0.455 570 F N -3.198 116.788 119.950 0.060 0.000 2.706 570 F HA 0.752 5.679 4.527 0.666 0.000 0.313 570 F C 0.255 175.682 175.800 -0.623 0.000 1.096 570 F CA -0.521 57.323 58.000 -0.260 0.000 1.219 570 F CB -0.050 38.709 39.000 -0.401 0.000 1.051 570 F HN 0.162 nan 8.300 nan 0.000 0.568 571 A N 1.257 123.697 122.820 -0.633 0.000 2.422 571 A HA 0.842 5.562 4.320 0.667 0.000 0.302 571 A C -0.437 177.070 177.584 -0.129 0.000 1.041 571 A CA -0.434 51.353 52.037 -0.417 0.000 0.708 571 A CB 0.685 19.423 19.000 -0.438 0.000 1.257 571 A HN 0.556 nan 8.150 nan 0.000 0.414 572 A N 2.752 125.506 122.820 -0.111 0.000 2.351 572 A HA 0.655 5.375 4.320 0.667 0.000 0.257 572 A C -1.716 175.508 177.584 -0.600 0.000 1.087 572 A CA -1.357 50.585 52.037 -0.157 0.000 0.798 572 A CB -0.137 18.841 19.000 -0.036 0.000 1.033 572 A HN 0.515 nan 8.150 nan 0.000 0.488 573 P HA -0.166 nan 4.420 nan 0.000 0.222 573 P C 0.927 177.720 177.300 -0.845 0.000 1.147 573 P CA 1.619 63.837 63.100 -1.470 0.000 0.790 573 P CB 0.045 31.345 31.700 -0.667 0.000 0.780 574 E N -0.502 119.434 120.200 -0.441 0.000 2.265 574 E HA -0.162 4.589 4.350 0.667 0.000 0.196 574 E C 0.691 177.155 176.600 -0.227 0.000 0.996 574 E CA 0.946 57.194 56.400 -0.252 0.000 0.832 574 E CB -0.742 28.872 29.700 -0.142 0.000 0.756 574 E HN 0.285 nan 8.360 nan 0.000 0.491 575 D N 0.223 120.458 120.400 -0.276 0.000 2.340 575 D HA -0.024 5.016 4.640 0.667 0.000 0.217 575 D C -0.310 175.898 176.300 -0.154 0.000 1.081 575 D CA 0.070 53.973 54.000 -0.162 0.000 0.842 575 D CB 0.074 40.815 40.800 -0.098 0.000 0.934 575 D HN 0.203 nan 8.370 nan 0.000 0.511 576 Y N 2.000 122.073 120.300 -0.378 0.000 2.758 576 Y HA 0.268 5.221 4.550 0.671 0.000 0.351 576 Y C 0.269 175.599 175.900 -0.950 0.000 1.214 576 Y CA -0.299 57.336 58.100 -0.775 0.000 1.983 576 Y CB -1.006 37.164 38.460 -0.484 0.000 2.062 576 Y HN -0.116 nan 8.280 nan 0.000 0.416 577 Q N -0.353 119.056 119.800 -0.651 0.000 2.359 577 Q HA 0.416 5.157 4.340 0.667 0.000 0.274 577 Q C 0.862 176.748 176.000 -0.190 0.000 1.074 577 Q CA -0.650 54.932 55.803 -0.368 0.000 0.810 577 Q CB 2.088 30.742 28.738 -0.140 0.000 1.342 577 Q HN 0.358 nan 8.270 nan 0.000 0.427 578 I N 0.632 121.246 120.570 0.072 0.000 2.194 578 I HA -0.274 4.297 4.170 0.667 0.000 0.246 578 I C 0.963 177.183 176.117 0.171 0.000 1.093 578 I CA 1.307 62.724 61.300 0.195 0.000 1.355 578 I CB 0.133 38.087 38.000 -0.076 0.000 1.046 578 I HN 0.633 nan 8.210 nan 0.000 0.413 579 E N 1.046 121.285 120.200 0.065 0.000 2.437 579 E HA 0.115 4.866 4.350 0.667 0.000 0.195 579 E C 0.504 177.132 176.600 0.045 0.000 1.029 579 E CA -0.018 56.419 56.400 0.062 0.000 0.948 579 E CB 0.089 29.807 29.700 0.031 0.000 1.082 579 E HN 0.420 nan 8.360 nan 0.000 0.456 580 S N -0.160 115.562 115.700 0.036 0.000 2.584 580 S HA 0.095 4.965 4.470 0.667 0.000 0.270 580 S C 1.222 175.860 174.600 0.062 0.000 1.346 580 S CA -0.429 57.786 58.200 0.024 0.000 1.018 580 S CB 1.965 65.158 63.200 -0.012 0.000 0.899 580 S HN 0.134 nan 8.310 nan 0.000 0.542 581 E N 0.567 120.800 120.200 0.055 0.000 2.085 581 E HA -0.125 4.625 4.350 0.667 0.000 0.194 581 E C 1.801 178.469 176.600 0.114 0.000 0.994 581 E CA 1.376 57.820 56.400 0.074 0.000 0.801 581 E CB -0.188 29.549 29.700 0.061 0.000 0.743 581 E HN 0.598 nan 8.360 nan 0.000 0.453 582 V N 0.693 120.677 119.914 0.117 0.000 2.358 582 V HA -0.267 4.253 4.120 0.667 0.000 0.246 582 V C 2.328 178.590 176.094 0.279 0.000 1.047 582 V CA 1.608 64.015 62.300 0.179 0.000 1.035 582 V CB -0.341 31.543 31.823 0.102 0.000 0.658 582 V HN 0.332 nan 8.190 nan 0.000 0.452 583 M N 0.602 120.344 119.600 0.236 0.000 2.080 583 M HA -0.199 4.681 4.480 0.667 0.000 0.260 583 M C 1.835 178.282 176.300 0.245 0.000 1.068 583 M CA 1.916 57.404 55.300 0.313 0.000 1.109 583 M CB -1.130 31.646 32.600 0.293 0.000 1.342 583 M HN 0.417 nan 8.290 nan 0.000 0.405 584 N N -0.674 118.131 118.700 0.176 0.000 2.223 584 N HA -0.107 5.034 4.740 0.667 0.000 0.185 584 N C 1.527 177.096 175.510 0.099 0.000 1.016 584 N CA 0.934 54.054 53.050 0.117 0.000 0.863 584 N CB -0.237 38.301 38.487 0.087 0.000 0.983 584 N HN 0.446 nan 8.380 nan 0.000 0.429 585 A N 0.577 123.488 122.820 0.152 0.000 2.076 585 A HA -0.151 4.569 4.320 0.667 0.000 0.220 585 A C 1.060 178.616 177.584 -0.047 0.000 1.160 585 A CA 1.186 53.292 52.037 0.116 0.000 0.653 585 A CB -0.353 18.770 19.000 0.204 0.000 0.801 585 A HN 0.456 nan 8.150 nan 0.000 0.455 586 H N -2.258 116.743 119.070 -0.114 0.000 2.512 586 H HA 0.240 5.197 4.556 0.668 0.000 0.276 586 H C -0.343 174.792 175.328 -0.321 0.000 1.126 586 H CA 0.082 55.895 56.048 -0.393 0.000 1.060 586 H CB 0.482 29.654 29.762 -0.982 0.000 1.646 586 H HN 0.523 nan 8.280 nan 0.000 0.571 587 Q N 1.545 121.296 119.800 -0.082 0.000 2.397 587 Q HA 0.163 4.903 4.340 0.667 0.000 0.260 587 Q C -0.139 175.845 176.000 -0.027 0.000 1.002 587 Q CA -0.634 55.102 55.803 -0.112 0.000 0.716 587 Q CB 0.776 29.460 28.738 -0.089 0.000 1.258 587 Q HN -0.152 nan 8.270 nan 0.000 0.477 588 K N 1.250 121.660 120.400 0.017 0.000 2.404 588 K HA 0.168 4.888 4.320 0.667 0.000 0.194 588 K C -0.042 176.597 176.600 0.065 0.000 1.023 588 K CA 0.038 56.362 56.287 0.061 0.000 1.094 588 K CB 0.584 33.176 32.500 0.154 0.000 0.841 588 K HN 0.428 nan 8.250 nan 0.000 0.523 589 S N 1.364 117.097 115.700 0.055 0.000 2.422 589 S HA 0.118 4.989 4.470 0.667 0.000 0.298 589 S C 1.216 175.838 174.600 0.038 0.000 1.118 589 S CA -0.393 57.864 58.200 0.094 0.000 1.083 589 S CB 0.839 64.136 63.200 0.162 0.000 0.971 589 S HN 0.301 nan 8.310 nan 0.000 0.478 590 S N 4.811 120.522 115.700 0.017 0.000 2.453 590 S HA -0.103 4.767 4.470 0.667 0.000 0.231 590 S C 1.413 176.002 174.600 -0.019 0.000 1.005 590 S CA 0.961 59.158 58.200 -0.005 0.000 0.949 590 S CB -0.763 62.427 63.200 -0.016 0.000 0.774 590 S HN 0.911 nan 8.310 nan 0.000 0.510 591 I N -0.414 120.127 120.570 -0.049 0.000 3.793 591 I HA 0.516 5.087 4.170 0.667 0.000 0.315 591 I C 1.998 178.037 176.117 -0.130 0.000 1.275 591 I CA 0.148 61.382 61.300 -0.110 0.000 1.214 591 I CB -0.788 37.092 38.000 -0.200 0.000 1.018 591 I HN 0.150 nan 8.210 nan 0.000 0.439 592 G N 1.695 110.482 108.800 -0.021 0.000 2.418 592 G HA2 -0.240 4.120 3.960 0.667 0.000 0.217 592 G HA3 -0.240 4.120 3.960 0.667 0.000 0.217 592 G C 1.412 176.379 174.900 0.111 0.000 1.158 592 G CA 0.897 46.053 45.100 0.092 0.000 0.771 592 G HN 0.419 nan 8.290 nan 0.000 0.545 593 N N 0.968 119.745 118.700 0.129 0.000 2.142 593 N HA -0.114 5.026 4.740 0.667 0.000 0.186 593 N C 2.612 178.209 175.510 0.144 0.000 1.023 593 N CA 1.622 54.805 53.050 0.221 0.000 0.852 593 N CB -0.506 38.110 38.487 0.215 0.000 0.998 593 N HN 0.439 nan 8.380 nan 0.000 0.424 594 S N 0.546 116.278 115.700 0.054 0.000 2.387 594 S HA -0.021 4.849 4.470 0.667 0.000 0.226 594 S C 1.935 176.554 174.600 0.032 0.000 1.026 594 S CA 0.358 58.576 58.200 0.030 0.000 0.972 594 S CB -0.417 62.778 63.200 -0.008 0.000 0.814 594 S HN 0.136 nan 8.310 nan 0.000 0.477 595 L N 1.616 122.804 121.223 -0.059 0.000 2.046 595 L HA 0.182 4.922 4.340 0.667 0.000 0.208 595 L C 2.246 179.212 176.870 0.160 0.000 1.077 595 L CA 1.456 56.229 54.840 -0.111 0.000 0.747 595 L CB -0.744 40.918 42.059 -0.663 0.000 0.896 595 L HN 0.396 nan 8.230 nan 0.000 0.432 596 I N -0.901 119.784 120.570 0.192 0.000 2.226 596 I HA -0.339 4.232 4.170 0.667 0.000 0.245 596 I C 2.582 178.945 176.117 0.410 0.000 1.100 596 I CA 1.280 62.810 61.300 0.384 0.000 1.374 596 I CB -0.282 37.922 38.000 0.341 0.000 1.057 596 I HN 0.239 nan 8.210 nan 0.000 0.413 597 R N 0.028 120.721 120.500 0.321 0.000 2.081 597 R HA -0.123 4.618 4.340 0.667 0.000 0.235 597 R C 2.317 178.743 176.300 0.210 0.000 1.131 597 R CA 1.969 58.229 56.100 0.266 0.000 0.960 597 R CB -0.776 29.621 30.300 0.162 0.000 0.856 597 R HN 0.332 nan 8.270 nan 0.000 0.436 598 T N 0.393 115.053 114.554 0.177 0.000 2.665 598 T HA -0.202 4.548 4.350 0.667 0.000 0.268 598 T C 1.515 176.297 174.700 0.136 0.000 1.035 598 T CA 1.577 63.744 62.100 0.111 0.000 1.151 598 T CB -0.414 68.486 68.868 0.054 0.000 0.862 598 T HN 0.236 nan 8.240 nan 0.000 0.438 599 Y N 0.500 120.887 120.300 0.146 0.000 2.242 599 Y HA 0.055 5.006 4.550 0.668 0.000 0.291 599 Y C 2.529 178.529 175.900 0.167 0.000 1.137 599 Y CA 0.800 58.990 58.100 0.149 0.000 1.181 599 Y CB -0.396 38.222 38.460 0.264 0.000 0.989 599 Y HN 0.143 nan 8.280 nan 0.000 0.527 600 M N -0.203 119.607 119.600 0.350 0.000 2.117 600 M HA -0.209 4.671 4.480 0.667 0.000 0.262 600 M C 2.328 178.761 176.300 0.221 0.000 1.065 600 M CA 1.691 57.158 55.300 0.277 0.000 1.114 600 M CB -0.105 32.622 32.600 0.211 0.000 1.361 600 M HN 0.144 nan 8.290 nan 0.000 0.408 601 E N 0.877 121.165 120.200 0.147 0.000 2.160 601 E HA -0.218 4.532 4.350 0.667 0.000 0.195 601 E C 1.715 178.335 176.600 0.033 0.000 0.991 601 E CA 1.411 57.855 56.400 0.075 0.000 0.810 601 E CB -0.175 29.552 29.700 0.046 0.000 0.742 601 E HN 0.549 nan 8.360 nan 0.000 0.466 602 R N -0.089 120.430 120.500 0.032 0.000 2.189 602 R HA -0.030 4.711 4.340 0.667 0.000 0.223 602 R C 1.146 177.413 176.300 -0.055 0.000 1.092 602 R CA 1.293 57.379 56.100 -0.025 0.000 0.989 602 R CB 0.195 30.459 30.300 -0.059 0.000 0.876 602 R HN 0.149 nan 8.270 nan 0.000 0.457 603 D N -2.393 117.981 120.400 -0.044 0.000 2.486 603 D HA 0.107 5.148 4.640 0.667 0.000 0.243 603 D C -0.684 175.245 176.300 -0.618 0.000 1.146 603 D CA 0.351 54.158 54.000 -0.320 0.000 0.821 603 D CB 0.921 41.509 40.800 -0.353 0.000 1.201 603 D HN -0.015 nan 8.370 nan 0.000 0.525 604 Y N -0.049 120.216 120.300 -0.059 0.000 2.597 604 Y HA 0.407 5.359 4.550 0.669 0.000 0.340 604 Y C -0.263 175.593 175.900 -0.073 0.000 1.097 604 Y CA -0.934 57.122 58.100 -0.072 0.000 1.037 604 Y CB 1.533 39.947 38.460 -0.078 0.000 1.305 604 Y HN -0.316 nan 8.280 nan 0.000 0.463 605 I N 3.632 124.242 120.570 0.067 0.000 2.379 605 I HA 0.179 4.749 4.170 0.667 0.000 0.290 605 I C -0.275 175.891 176.117 0.081 0.000 1.063 605 I CA -0.016 61.269 61.300 -0.026 0.000 1.351 605 I CB 0.202 38.020 38.000 -0.303 0.000 1.410 605 I HN 0.349 nan 8.210 nan 0.000 0.505 606 I N 9.219 129.839 120.570 0.083 0.000 2.671 606 I HA 0.031 4.602 4.170 0.667 0.000 0.285 606 I C -1.760 174.425 176.117 0.114 0.000 1.148 606 I CA -1.257 60.114 61.300 0.118 0.000 1.386 606 I CB -0.438 37.629 38.000 0.111 0.000 1.406 606 I HN 0.347 nan 8.210 nan 0.000 0.540 607 P HA 0.206 nan 4.420 nan 0.000 0.276 607 P C 0.235 177.596 177.300 0.102 0.000 1.261 607 P CA -0.434 62.747 63.100 0.134 0.000 0.800 607 P CB 0.970 32.754 31.700 0.141 0.000 1.066 608 E N -0.509 119.742 120.200 0.085 0.000 2.086 608 E HA -0.019 4.731 4.350 0.667 0.000 0.190 608 E C 0.556 177.196 176.600 0.066 0.000 0.975 608 E CA 0.588 57.024 56.400 0.059 0.000 0.813 608 E CB -0.066 29.665 29.700 0.052 0.000 0.768 608 E HN 0.532 nan 8.360 nan 0.000 0.457 609 S N -0.365 115.384 115.700 0.082 0.000 2.592 609 S HA 0.056 4.927 4.470 0.667 0.000 0.271 609 S C 0.709 175.395 174.600 0.144 0.000 1.326 609 S CA -0.770 57.494 58.200 0.108 0.000 1.024 609 S CB 1.022 64.276 63.200 0.091 0.000 0.921 609 S HN 0.200 nan 8.310 nan 0.000 0.527 610 F N 2.213 122.178 119.950 0.024 0.000 2.102 610 F HA -0.036 4.893 4.527 0.670 0.000 0.298 610 F C 2.045 177.873 175.800 0.047 0.000 1.105 610 F CA 2.081 60.090 58.000 0.016 0.000 1.239 610 F CB -0.633 38.364 39.000 -0.005 0.000 0.991 610 F HN 0.721 nan 8.300 nan 0.000 0.474 611 E N 0.543 120.786 120.200 0.072 0.000 2.070 611 E HA -0.249 4.502 4.350 0.667 0.000 0.197 611 E C 1.854 178.435 176.600 -0.032 0.000 1.004 611 E CA 1.894 58.278 56.400 -0.026 0.000 0.805 611 E CB -0.626 29.098 29.700 0.041 0.000 0.744 611 E HN 0.425 nan 8.360 nan 0.000 0.451 612 D N -0.609 119.809 120.400 0.030 0.000 2.144 612 D HA -0.124 4.916 4.640 0.667 0.000 0.200 612 D C 1.610 177.937 176.300 0.046 0.000 0.978 612 D CA 0.571 54.624 54.000 0.089 0.000 0.833 612 D CB -0.324 40.531 40.800 0.090 0.000 0.961 612 D HN 0.152 nan 8.370 nan 0.000 0.470 613 F N 1.138 120.977 119.950 -0.186 0.000 2.134 613 F HA -0.202 4.728 4.527 0.673 0.000 0.299 613 F C 2.045 177.615 175.800 -0.384 0.000 1.097 613 F CA 1.043 58.871 58.000 -0.286 0.000 1.264 613 F CB -0.281 38.504 39.000 -0.359 0.000 1.001 613 F HN -0.199 nan 8.300 nan 0.000 0.479 614 V N 0.037 119.619 119.914 -0.553 0.000 2.307 614 V HA -0.300 4.221 4.120 0.667 0.000 0.245 614 V C 2.151 178.007 176.094 -0.397 0.000 1.045 614 V CA 2.146 64.087 62.300 -0.598 0.000 1.024 614 V CB -1.207 30.332 31.823 -0.475 0.000 0.651 614 V HN 0.602 nan 8.190 nan 0.000 0.449 615 Y N 1.145 121.266 120.300 -0.299 0.000 2.097 615 Y HA -0.253 4.692 4.550 0.659 0.000 0.282 615 Y C 2.303 178.028 175.900 -0.291 0.000 1.152 615 Y CA 2.167 60.146 58.100 -0.201 0.000 1.136 615 Y CB -0.729 37.702 38.460 -0.049 0.000 0.975 615 Y HN 0.056 nan 8.280 nan 0.000 0.498 616 V N 0.718 120.153 119.914 -0.798 0.000 2.515 616 V HA -0.192 4.329 4.120 0.667 0.000 0.250 616 V C 2.666 178.260 176.094 -0.834 0.000 1.058 616 V CA 1.684 63.418 62.300 -0.943 0.000 1.064 616 V CB -1.573 29.887 31.823 -0.606 0.000 0.675 616 V HN 0.664 nan 8.190 nan 0.000 0.461 617 G N -0.001 108.323 108.800 -0.793 0.000 2.442 617 G HA2 -0.216 4.145 3.960 0.667 0.000 0.219 617 G HA3 -0.216 4.145 3.960 0.667 0.000 0.219 617 G C 1.582 176.187 174.900 -0.492 0.000 1.141 617 G CA 0.924 45.624 45.100 -0.667 0.000 0.763 617 G HN 0.470 nan 8.290 nan 0.000 0.554 618 L N 0.080 120.985 121.223 -0.529 0.000 2.027 618 L HA -0.073 4.667 4.340 0.667 0.000 0.206 618 L C 3.024 179.519 176.870 -0.626 0.000 1.074 618 L CA 0.510 55.021 54.840 -0.547 0.000 0.745 618 L CB -0.521 41.194 42.059 -0.573 0.000 0.898 618 L HN 0.091 nan 8.230 nan 0.000 0.433 619 V N 0.007 119.525 119.914 -0.661 0.000 2.287 619 V HA -0.309 4.212 4.120 0.667 0.000 0.248 619 V C 2.419 178.184 176.094 -0.549 0.000 1.053 619 V CA 1.787 63.734 62.300 -0.589 0.000 1.027 619 V CB -0.542 30.884 31.823 -0.662 0.000 0.646 619 V HN 0.343 nan 8.190 nan 0.000 0.447 620 L N 0.237 121.068 121.223 -0.653 0.000 1.990 620 L HA -0.262 4.478 4.340 0.667 0.000 0.213 620 L C 2.531 179.144 176.870 -0.429 0.000 1.072 620 L CA 2.573 57.136 54.840 -0.461 0.000 0.755 620 L CB -0.937 40.904 42.059 -0.363 0.000 0.889 620 L HN 0.453 nan 8.230 nan 0.000 0.432 621 Q N -0.903 118.700 119.800 -0.328 0.000 2.050 621 Q HA -0.166 4.575 4.340 0.667 0.000 0.202 621 Q C 2.056 177.800 176.000 -0.427 0.000 0.980 621 Q CA 1.835 57.493 55.803 -0.241 0.000 0.840 621 Q CB -0.546 28.142 28.738 -0.084 0.000 0.898 621 Q HN 0.654 nan 8.270 nan 0.000 0.424 622 G N 0.420 108.951 108.800 -0.449 0.000 2.418 622 G HA2 -0.258 4.103 3.960 0.667 0.000 0.217 622 G HA3 -0.258 4.103 3.960 0.667 0.000 0.217 622 G C 1.405 176.050 174.900 -0.424 0.000 1.158 622 G CA 0.561 45.393 45.100 -0.446 0.000 0.771 622 G HN 0.296 nan 8.290 nan 0.000 0.545 623 Q N 0.285 119.834 119.800 -0.418 0.000 2.083 623 Q HA -0.020 4.720 4.340 0.667 0.000 0.198 623 Q C 2.864 178.542 176.000 -0.537 0.000 0.969 623 Q CA 1.369 56.955 55.803 -0.363 0.000 0.838 623 Q CB -0.744 27.855 28.738 -0.231 0.000 0.900 623 Q HN 0.438 nan 8.270 nan 0.000 0.436 624 G N 0.723 108.931 108.800 -0.985 0.000 2.404 624 G HA2 -0.218 4.142 3.960 0.667 0.000 0.215 624 G HA3 -0.218 4.142 3.960 0.667 0.000 0.215 624 G C 1.455 175.704 174.900 -1.086 0.000 1.174 624 G CA 0.633 44.560 45.100 -1.954 0.000 0.780 624 G HN 0.155 nan 8.290 nan 0.000 0.537 625 M N 0.742 119.922 119.600 -0.700 0.000 2.132 625 M HA 0.009 4.889 4.480 0.667 0.000 0.263 625 M C 2.477 178.682 176.300 -0.159 0.000 1.065 625 M CA 1.052 56.199 55.300 -0.255 0.000 1.122 625 M CB -1.025 31.323 32.600 -0.420 0.000 1.365 625 M HN 0.347 nan 8.290 nan 0.000 0.411 626 R N -0.365 119.961 120.500 -0.289 0.000 2.105 626 R HA -0.239 4.501 4.340 0.667 0.000 0.239 626 R C 1.958 178.173 176.300 -0.142 0.000 1.135 626 R CA 2.136 58.093 56.100 -0.238 0.000 0.967 626 R CB -0.916 29.231 30.300 -0.255 0.000 0.861 626 R HN 0.415 nan 8.270 nan 0.000 0.442 627 H N -0.250 118.692 119.070 -0.214 0.000 2.387 627 H HA 0.003 4.958 4.556 0.666 0.000 0.299 627 H C 1.953 177.176 175.328 -0.175 0.000 1.090 627 H CA 2.283 58.233 56.048 -0.162 0.000 1.332 627 H CB -0.524 29.151 29.762 -0.144 0.000 1.386 627 H HN 0.415 nan 8.280 nan 0.000 0.516 628 G N 0.444 109.202 108.800 -0.070 0.000 2.433 628 G HA2 -0.236 4.124 3.960 0.667 0.000 0.216 628 G HA3 -0.236 4.124 3.960 0.667 0.000 0.216 628 G C 1.713 176.199 174.900 -0.690 0.000 1.186 628 G CA 1.037 45.923 45.100 -0.355 0.000 0.779 628 G HN 0.411 nan 8.290 nan 0.000 0.543 629 L N 0.180 121.314 121.223 -0.148 0.000 2.013 629 L HA -0.130 4.611 4.340 0.667 0.000 0.212 629 L C 2.859 179.654 176.870 -0.125 0.000 1.073 629 L CA 1.643 56.484 54.840 0.001 0.000 0.753 629 L CB -0.599 41.454 42.059 -0.011 0.000 0.890 629 L HN 0.280 nan 8.230 nan 0.000 0.432 630 E N 0.190 120.263 120.200 -0.213 0.000 2.049 630 E HA -0.287 4.464 4.350 0.667 0.000 0.198 630 E C 2.330 178.750 176.600 -0.299 0.000 1.007 630 E CA 1.403 57.664 56.400 -0.231 0.000 0.809 630 E CB -0.276 29.277 29.700 -0.244 0.000 0.749 630 E HN 0.519 nan 8.360 nan 0.000 0.450 631 A N 0.815 123.376 122.820 -0.431 0.000 1.917 631 A HA -0.263 4.457 4.320 0.667 0.000 0.219 631 A C 1.730 179.178 177.584 -0.226 0.000 1.182 631 A CA 2.016 53.820 52.037 -0.387 0.000 0.633 631 A CB -0.974 17.759 19.000 -0.444 0.000 0.819 631 A HN 0.369 nan 8.150 nan 0.000 0.448 632 H N -1.143 117.872 119.070 -0.092 0.000 2.299 632 H HA -0.018 4.939 4.556 0.668 0.000 0.302 632 H C 2.468 177.845 175.328 0.083 0.000 1.078 632 H CA 1.193 57.270 56.048 0.050 0.000 1.323 632 H CB -0.087 29.732 29.762 0.096 0.000 1.381 632 H HN 0.374 nan 8.280 nan 0.000 0.498 633 R N 0.672 121.123 120.500 -0.082 0.000 2.103 633 R HA -0.150 4.591 4.340 0.667 0.000 0.242 633 R C 2.450 178.551 176.300 -0.331 0.000 1.142 633 R CA 1.360 57.097 56.100 -0.605 0.000 0.960 633 R CB -0.236 29.783 30.300 -0.468 0.000 0.858 633 R HN 0.286 nan 8.270 nan 0.000 0.439 634 R N 0.704 121.063 120.500 -0.235 0.000 2.120 634 R HA -0.055 4.685 4.340 0.667 0.000 0.234 634 R C 0.990 177.178 176.300 -0.188 0.000 1.123 634 R CA 1.217 57.157 56.100 -0.267 0.000 0.975 634 R CB 0.028 30.078 30.300 -0.417 0.000 0.866 634 R HN 0.203 nan 8.270 nan 0.000 0.446 635 N N 1.002 119.652 118.700 -0.084 0.000 2.276 635 N HA -0.045 5.096 4.740 0.667 0.000 0.212 635 N C -0.353 175.249 175.510 0.154 0.000 1.127 635 N CA -0.045 53.019 53.050 0.023 0.000 0.834 635 N CB 0.282 38.795 38.487 0.044 0.000 1.014 635 N HN 0.185 nan 8.380 nan 0.000 0.491 636 R N 2.356 122.933 120.500 0.129 0.000 2.543 636 R HA 0.079 4.820 4.340 0.667 0.000 0.277 636 R C -1.537 174.853 176.300 0.150 0.000 1.074 636 R CA -0.755 55.464 56.100 0.199 0.000 1.076 636 R CB 0.744 31.120 30.300 0.126 0.000 0.993 636 R HN -0.002 nan 8.270 nan 0.000 0.459 637 P HA -0.051 nan 4.420 nan 0.000 0.251 637 P C 0.741 178.146 177.300 0.175 0.000 1.223 637 P CA 0.393 63.580 63.100 0.144 0.000 0.796 637 P CB -0.075 31.665 31.700 0.068 0.000 1.068 638 Y N 0.839 121.203 120.300 0.106 0.000 2.165 638 Y HA -0.154 4.796 4.550 0.667 0.000 0.286 638 Y C 1.159 177.144 175.900 0.143 0.000 1.155 638 Y CA 1.133 59.304 58.100 0.117 0.000 1.164 638 Y CB -0.513 38.011 38.460 0.106 0.000 0.978 638 Y HN 0.011 nan 8.280 nan 0.000 0.513 639 C N 2.116 121.625 119.300 0.348 0.000 2.319 639 C HA 0.387 5.248 4.460 0.667 0.000 0.335 639 C C 0.630 175.772 174.990 0.254 0.000 1.274 639 C CA -0.782 58.391 59.018 0.258 0.000 1.806 639 C CB 0.044 27.975 27.740 0.318 0.000 2.329 639 C HN 0.592 nan 8.230 nan 0.000 0.524 640 M N 4.619 124.242 119.600 0.038 0.000 2.416 640 M HA 0.322 5.203 4.480 0.667 0.000 0.337 640 M C 0.466 176.214 176.300 -0.921 0.000 1.074 640 M CA 0.167 55.382 55.300 -0.143 0.000 0.968 640 M CB 0.014 32.709 32.600 0.158 0.000 1.472 640 M HN 0.984 nan 8.290 nan 0.000 0.539 641 G N -0.427 107.515 108.800 -1.430 0.000 2.411 641 G HA2 0.396 4.757 3.960 0.667 0.000 0.295 641 G HA3 0.396 4.757 3.960 0.667 0.000 0.295 641 G C -1.653 172.467 174.900 -1.299 0.000 1.542 641 G CA -0.367 43.599 45.100 -1.890 0.000 0.814 641 G HN -0.091 nan 8.290 nan 0.000 0.557 642 T N 0.309 114.409 114.554 -0.758 0.000 3.109 642 T HA 0.590 5.341 4.350 0.667 0.000 0.311 642 T C -1.272 173.429 174.700 0.001 0.000 1.011 642 T CA -0.435 61.538 62.100 -0.212 0.000 1.026 642 T CB 0.580 69.632 68.868 0.306 0.000 1.047 642 T HN 0.586 nan 8.240 nan 0.000 0.448 643 L N 6.650 127.895 121.223 0.036 0.000 2.377 643 L HA 0.517 5.258 4.340 0.667 0.000 0.270 643 L C -0.326 176.571 176.870 0.044 0.000 0.991 643 L CA -1.294 53.543 54.840 -0.004 0.000 0.851 643 L CB 0.957 42.973 42.059 -0.072 0.000 1.218 643 L HN 0.723 nan 8.230 nan 0.000 0.420 644 Y N 0.467 120.762 120.300 -0.008 0.000 2.326 644 Y HA 0.315 5.265 4.550 0.667 0.000 0.333 644 Y C -0.368 175.388 175.900 -0.241 0.000 1.240 644 Y CA -0.831 57.113 58.100 -0.259 0.000 1.365 644 Y CB 0.833 38.996 38.460 -0.495 0.000 1.289 644 Y HN 0.566 nan 8.280 nan 0.000 0.548 645 W N 6.510 127.685 121.300 -0.208 0.000 2.314 645 W HA 0.392 5.454 4.660 0.671 0.000 0.310 645 W C -1.563 174.936 176.519 -0.034 0.000 1.075 645 W CA -0.705 56.521 57.345 -0.198 0.000 1.253 645 W CB 1.423 30.808 29.460 -0.125 0.000 1.238 645 W HN 0.933 nan 8.180 nan 0.000 0.440 646 Q N 4.031 123.530 119.800 -0.503 0.000 2.501 646 Q HA 0.270 5.010 4.340 0.667 0.000 0.288 646 Q C -0.455 175.176 176.000 -0.616 0.000 1.051 646 Q CA -0.863 54.248 55.803 -1.154 0.000 0.788 646 Q CB 1.977 29.480 28.738 -2.059 0.000 1.469 646 Q HN 0.426 nan 8.270 nan 0.000 0.416 647 L N 1.128 121.939 121.223 -0.688 0.000 2.027 647 L HA 0.035 4.776 4.340 0.667 0.000 0.206 647 L C 0.053 176.687 176.870 -0.393 0.000 1.074 647 L CA 1.988 56.567 54.840 -0.435 0.000 0.745 647 L CB -0.189 41.632 42.059 -0.396 0.000 0.898 647 L HN 0.900 nan 8.230 nan 0.000 0.433 648 N N -2.495 115.888 118.700 -0.529 0.000 2.972 648 N HA 0.249 5.390 4.740 0.667 0.000 0.262 648 N C -1.706 173.490 175.510 -0.523 0.000 1.478 648 N CA -0.664 52.115 53.050 -0.451 0.000 0.841 648 N CB 1.168 39.419 38.487 -0.395 0.000 1.512 648 N HN -0.172 nan 8.380 nan 0.000 0.548 649 D N -0.715 119.469 120.400 -0.360 0.000 2.575 649 D HA 0.310 5.350 4.640 0.667 0.000 0.236 649 D C 0.341 176.575 176.300 -0.111 0.000 1.075 649 D CA -0.354 53.479 54.000 -0.279 0.000 0.860 649 D CB 2.164 42.865 40.800 -0.165 0.000 1.475 649 D HN 0.586 nan 8.370 nan 0.000 0.474 650 S N 0.548 116.231 115.700 -0.029 0.000 2.548 650 S HA 0.141 5.012 4.470 0.667 0.000 0.215 650 S C 0.472 175.086 174.600 0.023 0.000 0.976 650 S CA -0.211 58.069 58.200 0.134 0.000 0.908 650 S CB 0.170 63.519 63.200 0.248 0.000 0.781 650 S HN 0.611 nan 8.310 nan 0.000 0.519 651 W N -0.725 120.166 121.300 -0.681 0.000 2.929 651 W HA 0.479 5.542 4.660 0.672 0.000 0.363 651 W C -3.889 172.057 176.519 -0.953 0.000 1.168 651 W CA -2.367 53.974 57.345 -1.673 0.000 1.163 651 W CB -0.257 28.075 29.460 -1.880 0.000 1.455 651 W HN -0.247 nan 8.180 nan 0.000 0.568 652 P HA 0.350 nan 4.420 nan 0.000 0.276 652 P C -0.494 176.033 177.300 -1.288 0.000 1.264 652 P CA 0.519 63.208 63.100 -0.685 0.000 0.769 652 P CB 1.152 32.810 31.700 -0.071 0.000 0.840 653 V N 4.321 123.678 119.914 -0.929 0.000 3.236 653 V HA 0.223 4.743 4.120 0.667 0.000 0.287 653 V C -1.123 174.669 176.094 -0.504 0.000 1.491 653 V CA -0.894 60.848 62.300 -0.929 0.000 1.037 653 V CB 2.541 33.748 31.823 -1.027 0.000 1.160 653 V HN 0.027 nan 8.190 nan 0.000 0.453 654 V N 4.753 124.370 119.914 -0.495 0.000 2.488 654 V HA 0.742 5.262 4.120 0.667 0.000 0.277 654 V C 0.469 176.300 176.094 -0.439 0.000 1.046 654 V CA 0.971 62.943 62.300 -0.545 0.000 0.986 654 V CB 0.734 32.049 31.823 -0.847 0.000 0.989 654 V HN 1.196 nan 8.190 nan 0.000 0.475 655 S N 3.699 119.140 115.700 -0.432 0.000 2.790 655 S HA 0.450 5.321 4.470 0.667 0.000 0.292 655 S C -0.235 174.079 174.600 -0.476 0.000 1.197 655 S CA -0.830 57.149 58.200 -0.369 0.000 0.851 655 S CB 1.185 64.366 63.200 -0.033 0.000 1.217 655 S HN 0.554 nan 8.310 nan 0.000 0.526 656 W N 2.597 123.760 121.300 -0.228 0.000 3.345 656 W HA 0.226 5.286 4.660 0.667 0.000 0.282 656 W C 1.017 177.355 176.519 -0.302 0.000 1.302 656 W CA 0.050 57.246 57.345 -0.249 0.000 1.724 656 W CB -0.389 29.069 29.460 -0.003 0.000 1.104 656 W HN 0.760 nan 8.180 nan 0.000 0.694 657 S N 0.461 116.067 115.700 -0.156 0.000 2.584 657 S HA 0.042 4.912 4.470 0.667 0.000 0.270 657 S C 1.250 175.730 174.600 -0.200 0.000 1.346 657 S CA 0.234 58.291 58.200 -0.239 0.000 1.018 657 S CB 1.643 64.669 63.200 -0.289 0.000 0.899 657 S HN 0.129 nan 8.310 nan 0.000 0.542 658 S N 0.841 116.447 115.700 -0.157 0.000 2.503 658 S HA 0.319 5.189 4.470 0.667 0.000 0.215 658 S C 0.272 174.734 174.600 -0.230 0.000 1.003 658 S CA -0.399 57.699 58.200 -0.170 0.000 0.910 658 S CB -0.599 62.575 63.200 -0.044 0.000 0.790 658 S HN 0.701 nan 8.310 nan 0.000 0.514 659 I N 3.198 123.606 120.570 -0.271 0.000 2.499 659 I HA 0.343 4.913 4.170 0.667 0.000 0.288 659 I C -0.988 175.020 176.117 -0.180 0.000 1.048 659 I CA -0.991 60.144 61.300 -0.275 0.000 1.062 659 I CB 1.992 39.741 38.000 -0.418 0.000 1.238 659 I HN 0.142 nan 8.210 nan 0.000 0.426 660 D N 4.636 124.987 120.400 -0.081 0.000 2.398 660 D HA -0.074 4.967 4.640 0.667 0.000 0.247 660 D C 1.065 177.337 176.300 -0.046 0.000 1.227 660 D CA -0.122 53.850 54.000 -0.046 0.000 0.980 660 D CB 0.565 41.391 40.800 0.043 0.000 1.106 660 D HN 0.536 nan 8.370 nan 0.000 0.493 661 Y N 0.230 120.399 120.300 -0.218 0.000 2.181 661 Y HA -0.291 4.659 4.550 0.668 0.000 0.284 661 Y C 1.263 176.954 175.900 -0.348 0.000 1.179 661 Y CA 1.689 59.584 58.100 -0.341 0.000 1.179 661 Y CB -0.484 37.665 38.460 -0.517 0.000 0.973 661 Y HN 0.436 nan 8.280 nan 0.000 0.519 662 Y N -0.384 119.874 120.300 -0.069 0.000 2.490 662 Y HA 0.250 5.198 4.550 0.664 0.000 0.281 662 Y C 2.013 177.868 175.900 -0.074 0.000 1.174 662 Y CA 0.509 58.541 58.100 -0.114 0.000 1.295 662 Y CB -0.121 38.365 38.460 0.043 0.000 1.062 662 Y HN 0.232 nan 8.280 nan 0.000 0.522 663 G N -0.156 108.653 108.800 0.016 0.000 2.157 663 G HA2 -0.274 4.087 3.960 0.667 0.000 0.248 663 G HA3 -0.274 4.087 3.960 0.667 0.000 0.248 663 G C -0.144 174.849 174.900 0.156 0.000 0.979 663 G CA -0.277 44.846 45.100 0.038 0.000 0.650 663 G HN 0.288 nan 8.290 nan 0.000 0.529 664 N N 0.464 119.278 118.700 0.190 0.000 2.475 664 N HA 0.226 5.366 4.740 0.667 0.000 0.267 664 N C 0.062 175.739 175.510 0.279 0.000 1.169 664 N CA 0.077 53.283 53.050 0.259 0.000 0.947 664 N CB 0.372 39.015 38.487 0.259 0.000 1.061 664 N HN 0.232 nan 8.380 nan 0.000 0.466 665 W N 2.557 123.857 121.300 0.000 0.000 2.308 665 W HA 0.131 5.216 4.660 0.708 0.000 0.324 665 W C 1.104 177.618 176.519 -0.008 0.000 1.387 665 W CA -0.296 56.971 57.345 -0.130 0.000 1.250 665 W CB -0.103 29.123 29.460 -0.389 0.000 1.257 665 W HN 0.212 nan 8.180 nan 0.000 0.554 666 K N 2.200 122.609 120.400 0.015 0.000 2.149 666 K HA 0.344 5.064 4.320 0.667 0.000 0.245 666 K C 1.288 177.711 176.600 -0.295 0.000 1.024 666 K CA 0.006 56.182 56.287 -0.185 0.000 0.899 666 K CB 0.537 32.870 32.500 -0.278 0.000 1.038 666 K HN 0.459 nan 8.250 nan 0.000 0.496 667 A N 1.281 123.508 122.820 -0.989 0.000 1.948 667 A HA -0.200 4.520 4.320 0.667 0.000 0.220 667 A C 2.011 179.358 177.584 -0.395 0.000 1.177 667 A CA 1.669 53.071 52.037 -1.058 0.000 0.636 667 A CB -0.595 17.460 19.000 -1.575 0.000 0.815 667 A HN 0.665 nan 8.150 nan 0.000 0.449 668 L N -0.888 120.068 121.223 -0.445 0.000 2.081 668 L HA -0.229 4.512 4.340 0.667 0.000 0.212 668 L C 2.210 178.829 176.870 -0.418 0.000 1.080 668 L CA 2.835 57.413 54.840 -0.437 0.000 0.754 668 L CB -0.898 40.870 42.059 -0.485 0.000 0.893 668 L HN 0.586 nan 8.230 nan 0.000 0.433 669 H N -1.985 116.822 119.070 -0.440 0.000 2.326 669 H HA -0.161 4.791 4.556 0.660 0.000 0.301 669 H C 1.936 176.977 175.328 -0.479 0.000 1.081 669 H CA 2.423 58.104 56.048 -0.612 0.000 1.334 669 H CB -0.240 28.904 29.762 -1.030 0.000 1.385 669 H HN 0.465 nan 8.280 nan 0.000 0.504 670 Y N 0.266 120.603 120.300 0.061 0.000 2.165 670 Y HA -0.247 4.751 4.550 0.747 0.000 0.286 670 Y C 2.609 178.471 175.900 -0.063 0.000 1.155 670 Y CA 1.287 59.487 58.100 0.168 0.000 1.164 670 Y CB -0.276 38.346 38.460 0.270 0.000 0.978 670 Y HN 0.267 nan 8.280 nan 0.000 0.513 671 Q N -0.302 119.478 119.800 -0.032 0.000 2.224 671 Q HA -0.105 4.635 4.340 0.667 0.000 0.203 671 Q C 2.490 178.287 176.000 -0.339 0.000 0.970 671 Q CA 1.187 56.888 55.803 -0.169 0.000 0.865 671 Q CB -0.454 28.139 28.738 -0.241 0.000 0.922 671 Q HN 0.568 nan 8.270 nan 0.000 0.445 672 A N 1.529 124.049 122.820 -0.501 0.000 1.872 672 A HA -0.167 4.553 4.320 0.667 0.000 0.214 672 A C 2.139 179.354 177.584 -0.614 0.000 1.187 672 A CA 1.496 53.071 52.037 -0.771 0.000 0.614 672 A CB -0.406 18.111 19.000 -0.805 0.000 0.826 672 A HN 0.286 nan 8.150 nan 0.000 0.442 673 K N -0.055 120.125 120.400 -0.366 0.000 2.020 673 K HA -0.257 4.464 4.320 0.667 0.000 0.212 673 K C 2.209 178.788 176.600 -0.035 0.000 1.050 673 K CA 1.943 58.162 56.287 -0.113 0.000 0.929 673 K CB -0.275 32.237 32.500 0.020 0.000 0.714 673 K HN 0.431 nan 8.250 nan 0.000 0.443 674 R N -0.020 120.455 120.500 -0.042 0.000 2.083 674 R HA -0.114 4.627 4.340 0.667 0.000 0.237 674 R C 2.445 178.719 176.300 -0.043 0.000 1.137 674 R CA 1.534 57.626 56.100 -0.014 0.000 0.951 674 R CB -0.509 29.790 30.300 -0.002 0.000 0.851 674 R HN 0.341 nan 8.270 nan 0.000 0.434 675 A N 0.071 122.799 122.820 -0.154 0.000 2.121 675 A HA -0.079 4.642 4.320 0.667 0.000 0.218 675 A C 1.217 178.834 177.584 0.056 0.000 1.154 675 A CA 0.984 52.935 52.037 -0.142 0.000 0.679 675 A CB -0.152 18.670 19.000 -0.297 0.000 0.795 675 A HN 0.207 nan 8.150 nan 0.000 0.458 676 F N -0.624 119.298 119.950 -0.047 0.000 2.678 676 F HA 0.457 5.386 4.527 0.671 0.000 0.305 676 F C 1.436 177.219 175.800 -0.027 0.000 1.090 676 F CA -0.980 56.998 58.000 -0.037 0.000 1.272 676 F CB -0.842 38.135 39.000 -0.039 0.000 1.060 676 F HN 0.162 nan 8.300 nan 0.000 0.576 677 A N 1.814 124.727 122.820 0.156 0.000 2.587 677 A HA 0.075 4.796 4.320 0.667 0.000 0.235 677 A C -1.179 176.451 177.584 0.077 0.000 1.044 677 A CA -0.633 51.461 52.037 0.095 0.000 0.754 677 A CB -0.300 18.739 19.000 0.064 0.000 0.968 677 A HN 0.081 nan 8.150 nan 0.000 0.509 678 P HA -0.091 nan 4.420 nan 0.000 0.217 678 P C 0.055 177.388 177.300 0.054 0.000 1.151 678 P CA 1.126 64.266 63.100 0.065 0.000 0.849 678 P CB 0.015 31.760 31.700 0.076 0.000 0.787 679 V N 0.505 120.447 119.914 0.046 0.000 2.409 679 V HA 0.359 4.880 4.120 0.667 0.000 0.291 679 V C -0.355 175.757 176.094 0.030 0.000 1.020 679 V CA -0.746 61.575 62.300 0.036 0.000 0.848 679 V CB 1.643 33.487 31.823 0.034 0.000 0.990 679 V HN -0.164 nan 8.190 nan 0.000 0.430 680 L N 6.905 128.141 121.223 0.021 0.000 2.356 680 L HA 0.674 5.415 4.340 0.667 0.000 0.277 680 L C -0.557 176.326 176.870 0.021 0.000 0.996 680 L CA -0.057 54.793 54.840 0.017 0.000 0.822 680 L CB 1.661 43.724 42.059 0.006 0.000 1.256 680 L HN 0.555 nan 8.230 nan 0.000 0.413 681 I N 4.826 125.410 120.570 0.022 0.000 2.352 681 I HA 0.267 4.838 4.170 0.667 0.000 0.290 681 I C 0.173 176.311 176.117 0.035 0.000 1.036 681 I CA 0.060 61.378 61.300 0.029 0.000 1.336 681 I CB 0.587 38.598 38.000 0.017 0.000 1.407 681 I HN 0.654 nan 8.210 nan 0.000 0.497 682 N N 8.834 127.569 118.700 0.059 0.000 2.696 682 N HA 0.341 5.481 4.740 0.667 0.000 0.246 682 N C -2.714 172.855 175.510 0.099 0.000 1.057 682 N CA -1.578 51.504 53.050 0.054 0.000 0.867 682 N CB 1.523 40.015 38.487 0.008 0.000 1.141 682 N HN 0.250 nan 8.380 nan 0.000 0.517 683 P HA 0.224 nan 4.420 nan 0.000 0.280 683 P C -0.840 176.521 177.300 0.102 0.000 1.244 683 P CA -0.369 62.763 63.100 0.053 0.000 0.784 683 P CB 1.490 33.160 31.700 -0.049 0.000 0.913 684 I N 1.545 122.175 120.570 0.100 0.000 2.548 684 I HA 0.299 4.870 4.170 0.667 0.000 0.287 684 I C -1.107 175.100 176.117 0.150 0.000 1.103 684 I CA -0.679 60.704 61.300 0.138 0.000 1.049 684 I CB 2.095 40.130 38.000 0.058 0.000 1.232 684 I HN 0.268 nan 8.210 nan 0.000 0.429 685 Q N 6.621 126.557 119.800 0.227 0.000 2.333 685 Q HA 0.619 5.359 4.340 0.667 0.000 0.265 685 Q C -1.561 174.545 176.000 0.176 0.000 0.989 685 Q CA -0.500 55.430 55.803 0.211 0.000 0.842 685 Q CB 1.239 30.181 28.738 0.339 0.000 1.262 685 Q HN 0.750 nan 8.270 nan 0.000 0.451 686 Q N 2.396 122.275 119.800 0.132 0.000 2.416 686 Q HA 0.357 5.097 4.340 0.667 0.000 0.281 686 Q C -0.928 175.121 176.000 0.082 0.000 1.067 686 Q CA -1.002 54.863 55.803 0.104 0.000 0.809 686 Q CB 1.771 30.564 28.738 0.091 0.000 1.418 686 Q HN 0.762 nan 8.270 nan 0.000 0.411 687 N N 2.215 120.956 118.700 0.068 0.000 2.688 687 N HA -0.231 4.910 4.740 0.667 0.000 0.258 687 N C -0.858 174.682 175.510 0.049 0.000 1.016 687 N CA 1.553 54.634 53.050 0.051 0.000 0.747 687 N CB -0.839 37.673 38.487 0.042 0.000 0.895 687 N HN 0.972 nan 8.380 nan 0.000 0.543 688 D N -1.420 119.017 120.400 0.061 0.000 2.811 688 D HA -0.195 4.846 4.640 0.667 0.000 0.231 688 D C -0.695 175.639 176.300 0.057 0.000 1.157 688 D CA 1.731 55.767 54.000 0.059 0.000 0.716 688 D CB -0.581 40.239 40.800 0.034 0.000 1.077 688 D HN 0.610 nan 8.370 nan 0.000 0.428 689 S N -1.038 114.706 115.700 0.073 0.000 2.556 689 S HA 0.681 5.552 4.470 0.667 0.000 0.271 689 S C -1.893 172.756 174.600 0.081 0.000 1.135 689 S CA -1.019 57.215 58.200 0.056 0.000 0.858 689 S CB 1.445 64.660 63.200 0.025 0.000 1.114 689 S HN 0.321 nan 8.310 nan 0.000 0.468 690 L N 3.162 124.423 121.223 0.064 0.000 2.325 690 L HA 0.769 5.510 4.340 0.667 0.000 0.281 690 L C -0.522 176.377 176.870 0.048 0.000 1.004 690 L CA 0.240 55.120 54.840 0.067 0.000 0.823 690 L CB 1.621 43.733 42.059 0.089 0.000 1.236 690 L HN 0.667 nan 8.230 nan 0.000 0.415 691 S N 3.072 118.820 115.700 0.081 0.000 2.681 691 S HA 0.851 5.721 4.470 0.667 0.000 0.299 691 S C -0.959 173.725 174.600 0.140 0.000 1.113 691 S CA -0.635 57.613 58.200 0.079 0.000 1.013 691 S CB 2.059 65.339 63.200 0.133 0.000 1.076 691 S HN 0.427 nan 8.310 nan 0.000 0.534 692 V N 2.226 122.193 119.914 0.088 0.000 2.577 692 V HA 0.433 4.953 4.120 0.667 0.000 0.303 692 V C -1.614 174.498 176.094 0.030 0.000 1.042 692 V CA -0.622 61.752 62.300 0.123 0.000 0.872 692 V CB 1.045 32.927 31.823 0.098 0.000 0.998 692 V HN 0.862 nan 8.190 nan 0.000 0.423 693 Y N 4.234 124.540 120.300 0.011 0.000 2.446 693 Y HA 0.682 5.632 4.550 0.667 0.000 0.338 693 Y C 0.038 175.934 175.900 -0.006 0.000 1.055 693 Y CA -0.976 57.126 58.100 0.002 0.000 1.101 693 Y CB 1.923 40.375 38.460 -0.013 0.000 1.221 693 Y HN 0.401 nan 8.280 nan 0.000 0.460 694 L N 4.845 126.147 121.223 0.131 0.000 2.296 694 L HA 0.554 5.295 4.340 0.667 0.000 0.286 694 L C -0.844 176.072 176.870 0.076 0.000 1.023 694 L CA -0.458 54.428 54.840 0.076 0.000 0.812 694 L CB 1.123 43.203 42.059 0.036 0.000 1.223 694 L HN 0.512 nan 8.230 nan 0.000 0.421 695 I N 2.372 122.969 120.570 0.045 0.000 2.436 695 I HA 0.387 4.957 4.170 0.667 0.000 0.289 695 I C -0.239 175.881 176.117 0.005 0.000 1.010 695 I CA -0.210 61.096 61.300 0.010 0.000 1.098 695 I CB 2.158 40.135 38.000 -0.038 0.000 1.266 695 I HN 0.527 nan 8.210 nan 0.000 0.434 696 S N 4.060 119.766 115.700 0.010 0.000 2.571 696 S HA 0.390 5.260 4.470 0.667 0.000 0.284 696 S C -0.537 174.101 174.600 0.063 0.000 1.128 696 S CA -0.634 57.587 58.200 0.035 0.000 0.970 696 S CB 1.383 64.608 63.200 0.042 0.000 1.039 696 S HN 0.602 nan 8.310 nan 0.000 0.485 697 D N 2.907 123.367 120.400 0.101 0.000 2.462 697 D HA 0.171 5.212 4.640 0.667 0.000 0.221 697 D C 0.153 176.644 176.300 0.319 0.000 1.173 697 D CA -0.090 54.039 54.000 0.215 0.000 0.831 697 D CB 0.501 41.398 40.800 0.163 0.000 1.001 697 D HN 0.496 nan 8.370 nan 0.000 0.499 698 R N 0.463 121.066 120.500 0.172 0.000 2.643 698 R HA 0.244 4.984 4.340 0.667 0.000 0.270 698 R C 1.444 177.749 176.300 0.007 0.000 1.061 698 R CA -0.196 55.969 56.100 0.109 0.000 1.107 698 R CB 1.298 31.629 30.300 0.053 0.000 0.999 698 R HN -0.006 nan 8.270 nan 0.000 0.460 699 L N 0.910 122.045 121.223 -0.146 0.000 2.395 699 L HA -0.048 4.693 4.340 0.667 0.000 0.218 699 L C 0.481 177.258 176.870 -0.156 0.000 1.130 699 L CA 0.527 55.190 54.840 -0.296 0.000 0.826 699 L CB -0.452 41.328 42.059 -0.464 0.000 0.941 699 L HN 0.691 nan 8.230 nan 0.000 0.451 700 D N -1.520 118.828 120.400 -0.086 0.000 2.228 700 D HA 0.186 5.226 4.640 0.667 0.000 0.247 700 D C -0.243 176.041 176.300 -0.026 0.000 0.995 700 D CA -0.500 53.467 54.000 -0.054 0.000 0.903 700 D CB 1.091 41.865 40.800 -0.043 0.000 1.205 700 D HN -0.282 nan 8.370 nan 0.000 0.459 701 T N 1.440 115.982 114.554 -0.020 0.000 2.869 701 T HA 0.335 5.086 4.350 0.667 0.000 0.295 701 T C 0.442 175.141 174.700 -0.001 0.000 0.987 701 T CA -0.424 61.673 62.100 -0.006 0.000 1.109 701 T CB 0.440 69.305 68.868 -0.004 0.000 0.932 701 T HN 0.245 nan 8.240 nan 0.000 0.518 702 M N 3.114 122.718 119.600 0.006 0.000 2.264 702 M HA 0.414 5.294 4.480 0.667 0.000 0.352 702 M C 0.181 176.488 176.300 0.012 0.000 1.173 702 M CA -0.456 54.849 55.300 0.009 0.000 1.075 702 M CB 1.297 33.906 32.600 0.014 0.000 1.621 702 M HN 0.560 nan 8.290 nan 0.000 0.457 703 E N 1.299 121.507 120.200 0.014 0.000 2.299 703 E HA 0.289 5.039 4.350 0.667 0.000 0.265 703 E C -0.967 175.648 176.600 0.024 0.000 0.911 703 E CA -0.970 55.440 56.400 0.017 0.000 0.789 703 E CB 1.471 31.179 29.700 0.013 0.000 1.246 703 E HN 0.644 nan 8.360 nan 0.000 0.427 704 Q N 0.859 120.676 119.800 0.028 0.000 2.443 704 Q HA -0.212 4.529 4.340 0.667 0.000 0.337 704 Q C -0.650 175.380 176.000 0.049 0.000 1.401 704 Q CA 0.629 56.457 55.803 0.040 0.000 0.943 704 Q CB -1.628 27.132 28.738 0.037 0.000 1.177 704 Q HN 0.377 nan 8.270 nan 0.000 0.394 705 M N 0.884 120.509 119.600 0.041 0.000 2.598 705 M HA 0.547 5.428 4.480 0.667 0.000 0.317 705 M C 0.124 176.436 176.300 0.020 0.000 1.201 705 M CA -0.470 54.849 55.300 0.031 0.000 0.971 705 M CB 1.726 34.336 32.600 0.016 0.000 1.657 705 M HN 0.192 nan 8.290 nan 0.000 0.470 706 T N 2.506 117.056 114.554 -0.007 0.000 2.840 706 T HA 0.516 5.266 4.350 0.667 0.000 0.287 706 T C -0.679 173.955 174.700 -0.111 0.000 0.991 706 T CA -0.571 61.475 62.100 -0.090 0.000 0.964 706 T CB 1.472 70.289 68.868 -0.085 0.000 0.954 706 T HN 0.505 nan 8.240 nan 0.000 0.438 707 L N 3.348 124.482 121.223 -0.149 0.000 2.281 707 L HA 0.528 5.269 4.340 0.667 0.000 0.285 707 L C 0.117 176.866 176.870 -0.203 0.000 1.074 707 L CA 0.184 54.935 54.840 -0.149 0.000 0.817 707 L CB 0.393 42.361 42.059 -0.153 0.000 1.168 707 L HN 0.669 nan 8.230 nan 0.000 0.434 708 E N 5.834 125.940 120.200 -0.157 0.000 2.266 708 E HA 0.602 5.353 4.350 0.667 0.000 0.268 708 E C -1.620 174.901 176.600 -0.132 0.000 0.879 708 E CA -0.686 55.620 56.400 -0.156 0.000 0.762 708 E CB 1.478 31.111 29.700 -0.111 0.000 1.199 708 E HN 0.737 nan 8.360 nan 0.000 0.422 709 M N 3.303 122.817 119.600 -0.143 0.000 2.484 709 M HA 0.424 5.305 4.480 0.667 0.000 0.289 709 M C -1.223 175.030 176.300 -0.080 0.000 1.206 709 M CA -0.871 54.362 55.300 -0.112 0.000 0.892 709 M CB 2.659 35.159 32.600 -0.167 0.000 1.712 709 M HN 0.369 nan 8.290 nan 0.000 0.462 710 K N 0.605 120.978 120.400 -0.047 0.000 2.523 710 K HA 0.731 5.451 4.320 0.667 0.000 0.257 710 K C -1.719 174.846 176.600 -0.058 0.000 0.932 710 K CA -0.939 55.319 56.287 -0.049 0.000 0.812 710 K CB 2.015 34.485 32.500 -0.051 0.000 1.326 710 K HN 0.456 nan 8.250 nan 0.000 0.433 711 V N 2.378 122.253 119.914 -0.064 0.000 2.546 711 V HA 0.349 4.869 4.120 0.667 0.000 0.284 711 V C -0.360 175.595 176.094 -0.231 0.000 1.050 711 V CA -0.542 61.698 62.300 -0.100 0.000 0.981 711 V CB 1.249 33.044 31.823 -0.047 0.000 0.990 711 V HN 0.582 nan 8.190 nan 0.000 0.474 712 V N 3.900 123.527 119.914 -0.478 0.000 2.709 712 V HA 0.413 4.933 4.120 0.667 0.000 0.308 712 V C -0.412 175.343 176.094 -0.565 0.000 1.062 712 V CA -0.916 61.060 62.300 -0.540 0.000 0.901 712 V CB 2.059 33.451 31.823 -0.717 0.000 1.003 712 V HN 1.027 nan 8.190 nan 0.000 0.425 713 D N 2.694 122.933 120.400 -0.268 0.000 2.440 713 D HA 0.197 5.237 4.640 0.667 0.000 0.269 713 D C 0.707 177.086 176.300 0.131 0.000 1.249 713 D CA -0.447 53.439 54.000 -0.190 0.000 1.055 713 D CB 0.460 41.158 40.800 -0.171 0.000 1.104 713 D HN 0.219 nan 8.370 nan 0.000 0.561 714 F N -0.597 119.407 119.950 0.090 0.000 2.661 714 F HA 0.063 4.995 4.527 0.675 0.000 0.298 714 F C 1.471 177.338 175.800 0.112 0.000 1.137 714 F CA 0.152 58.256 58.000 0.173 0.000 1.454 714 F CB -0.559 38.546 39.000 0.175 0.000 1.103 714 F HN 0.241 nan 8.300 nan 0.000 0.577 715 D N -1.096 119.441 120.400 0.229 0.000 2.367 715 D HA 0.205 5.246 4.640 0.667 0.000 0.207 715 D C 2.190 178.554 176.300 0.106 0.000 1.034 715 D CA 1.081 55.161 54.000 0.135 0.000 0.861 715 D CB 0.610 41.463 40.800 0.089 0.000 0.943 715 D HN 0.340 nan 8.370 nan 0.000 0.515 716 G N -0.012 108.854 108.800 0.110 0.000 2.229 716 G HA2 -0.163 4.198 3.960 0.667 0.000 0.189 716 G HA3 -0.163 4.198 3.960 0.667 0.000 0.189 716 G C 0.621 175.534 174.900 0.023 0.000 1.000 716 G CA 0.136 45.284 45.100 0.080 0.000 0.663 716 G HN 0.586 nan 8.290 nan 0.000 0.493 717 K N 1.494 121.894 120.400 -0.001 0.000 2.316 717 K HA 0.705 5.426 4.320 0.667 0.000 0.289 717 K C 0.670 177.228 176.600 -0.070 0.000 1.070 717 K CA 0.599 56.870 56.287 -0.027 0.000 0.928 717 K CB 0.029 32.516 32.500 -0.022 0.000 1.039 717 K HN 0.609 nan 8.250 nan 0.000 0.480 718 T N 2.228 116.745 114.554 -0.062 0.000 2.937 718 T HA 0.305 5.055 4.350 0.667 0.000 0.316 718 T C 0.281 174.934 174.700 -0.079 0.000 1.079 718 T CA 0.252 62.304 62.100 -0.080 0.000 1.131 718 T CB -0.114 68.721 68.868 -0.054 0.000 1.000 718 T HN 0.471 nan 8.240 nan 0.000 0.549 719 L N 1.986 123.155 121.223 -0.090 0.000 2.410 719 L HA 0.631 5.372 4.340 0.667 0.000 0.270 719 L C 0.862 177.691 176.870 -0.068 0.000 0.983 719 L CA -0.829 53.963 54.840 -0.081 0.000 0.822 719 L CB 1.560 43.557 42.059 -0.102 0.000 1.285 719 L HN 0.983 nan 8.230 nan 0.000 0.409 720 G N 1.430 110.197 108.800 -0.054 0.000 2.645 720 G HA2 0.004 4.365 3.960 0.667 0.000 0.239 720 G HA3 0.004 4.365 3.960 0.667 0.000 0.239 720 G C -0.526 174.353 174.900 -0.036 0.000 1.331 720 G CA 0.103 45.178 45.100 -0.042 0.000 0.890 720 G HN 0.881 nan 8.290 nan 0.000 0.572 721 K N -0.426 119.957 120.400 -0.029 0.000 2.354 721 K HA 0.866 5.586 4.320 0.667 0.000 0.238 721 K C 0.446 177.027 176.600 -0.031 0.000 1.068 721 K CA 0.195 56.466 56.287 -0.026 0.000 0.925 721 K CB 0.432 nan 32.500 nan 0.000 1.286 721 K HN 0.943 nan 8.250 nan 0.000 0.500 722 K N 0.865 121.247 120.400 -0.030 0.000 2.436 722 K HA 0.199 4.919 4.320 0.667 0.000 0.282 722 K C -0.389 176.181 176.600 -0.050 0.000 1.044 722 K CA 0.260 56.522 56.287 -0.042 0.000 1.028 722 K CB -0.298 32.182 32.500 -0.035 0.000 0.919 722 K HN 0.454 nan 8.250 nan 0.000 0.474 723 I N 2.725 123.247 120.570 -0.081 0.000 2.416 723 I HA -0.001 4.569 4.170 0.667 0.000 0.288 723 I C 0.132 176.150 176.117 -0.165 0.000 1.051 723 I CA -0.027 61.207 61.300 -0.111 0.000 1.375 723 I CB 1.299 39.199 38.000 -0.168 0.000 1.407 723 I HN 0.360 nan 8.210 nan 0.000 0.516 724 Q N 4.908 124.621 119.800 -0.145 0.000 2.337 724 Q HA 0.616 5.356 4.340 0.667 0.000 0.266 724 Q C -0.745 175.092 176.000 -0.272 0.000 1.023 724 Q CA -0.826 54.824 55.803 -0.255 0.000 0.829 724 Q CB 2.943 31.541 28.738 -0.235 0.000 1.306 724 Q HN 0.489 nan 8.270 nan 0.000 0.449 725 V N 2.882 122.585 119.914 -0.351 0.000 2.407 725 V HA 0.442 4.963 4.120 0.667 0.000 0.291 725 V C -0.353 175.578 176.094 -0.273 0.000 1.018 725 V CA -0.820 61.357 62.300 -0.205 0.000 0.842 725 V CB 1.263 33.029 31.823 -0.096 0.000 0.996 725 V HN 0.842 nan 8.190 nan 0.000 0.426 726 H N 2.041 121.109 119.070 -0.003 0.000 2.559 726 H HA 0.432 5.388 4.556 0.668 0.000 0.343 726 H C 0.761 176.091 175.328 0.003 0.000 1.209 726 H CA -0.047 55.999 56.048 -0.002 0.000 1.287 726 H CB 1.864 31.625 29.762 -0.002 0.000 1.650 726 H HN 0.727 nan 8.280 nan 0.000 0.567 727 S N 0.263 116.053 115.700 0.152 0.000 3.581 727 S HA -0.176 4.695 4.470 0.667 0.000 0.354 727 S C 0.248 174.877 174.600 0.048 0.000 1.059 727 S CA 0.105 58.354 58.200 0.081 0.000 1.060 727 S CB -1.721 61.519 63.200 0.067 0.000 0.908 727 S HN 0.352 nan 8.310 nan 0.000 0.475 728 L N 1.087 122.331 121.223 0.036 0.000 2.350 728 L HA 0.455 5.196 4.340 0.667 0.000 0.275 728 L C 0.701 177.583 176.870 0.018 0.000 1.099 728 L CA -0.031 54.820 54.840 0.019 0.000 0.808 728 L CB 0.806 42.868 42.059 0.004 0.000 1.149 728 L HN 0.273 nan 8.230 nan 0.000 0.442 729 E N 1.825 122.034 120.200 0.015 0.000 2.179 729 E HA 0.400 5.151 4.350 0.667 0.000 0.275 729 E C -1.474 175.134 176.600 0.014 0.000 0.945 729 E CA -0.692 55.717 56.400 0.015 0.000 0.792 729 E CB 2.014 31.723 29.700 0.014 0.000 1.125 729 E HN 0.290 nan 8.360 nan 0.000 0.397 730 V N 6.521 126.444 119.914 0.015 0.000 2.275 730 V HA 0.275 4.796 4.120 0.667 0.000 0.272 730 V C -2.316 173.789 176.094 0.018 0.000 1.028 730 V CA -1.833 60.478 62.300 0.019 0.000 0.810 730 V CB 0.729 32.565 31.823 0.020 0.000 1.043 730 V HN 0.630 nan 8.190 nan 0.000 0.453 731 P HA 0.238 nan 4.420 nan 0.000 0.271 731 P C 0.037 177.350 177.300 0.021 0.000 1.218 731 P CA -0.027 63.083 63.100 0.017 0.000 0.780 731 P CB 0.675 32.386 31.700 0.019 0.000 0.901 732 A N 3.111 125.937 122.820 0.011 0.000 2.565 732 A HA 0.023 4.744 4.320 0.667 0.000 0.237 732 A C 0.744 178.352 177.584 0.039 0.000 1.053 732 A CA 0.218 52.261 52.037 0.011 0.000 0.755 732 A CB -1.013 17.968 19.000 -0.031 0.000 0.980 732 A HN 0.732 nan 8.150 nan 0.000 0.506 733 N N -0.397 118.350 118.700 0.079 0.000 2.740 733 N HA -0.153 4.987 4.740 0.667 0.000 0.248 733 N C 0.046 175.608 175.510 0.086 0.000 1.062 733 N CA 1.701 54.825 53.050 0.123 0.000 0.704 733 N CB -1.593 36.990 38.487 0.160 0.000 0.968 733 N HN 1.315 nan 8.380 nan 0.000 0.547 734 T N -4.306 110.284 114.554 0.060 0.000 2.896 734 T HA 0.660 5.410 4.350 0.667 0.000 0.297 734 T C -0.413 174.312 174.700 0.042 0.000 1.108 734 T CA -0.654 61.478 62.100 0.052 0.000 1.004 734 T CB 2.694 71.593 68.868 0.052 0.000 1.159 734 T HN 0.060 nan 8.240 nan 0.000 0.499 735 S N 0.728 116.461 115.700 0.055 0.000 2.519 735 S HA 0.679 5.549 4.470 0.667 0.000 0.309 735 S C -1.184 173.522 174.600 0.177 0.000 1.100 735 S CA -0.715 57.538 58.200 0.088 0.000 1.059 735 S CB 0.261 63.475 63.200 0.025 0.000 1.008 735 S HN 0.762 nan 8.310 nan 0.000 0.478 736 K N 2.845 123.371 120.400 0.212 0.000 2.501 736 K HA 0.373 5.094 4.320 0.667 0.000 0.252 736 K C -1.221 175.339 176.600 -0.067 0.000 0.934 736 K CA -0.689 55.669 56.287 0.118 0.000 0.797 736 K CB 1.772 34.296 32.500 0.040 0.000 1.270 736 K HN 0.696 nan 8.250 nan 0.000 0.431 737 C N 3.154 122.206 119.300 -0.412 0.000 2.632 737 C HA 0.207 5.068 4.460 0.667 0.000 0.415 737 C C 1.590 176.381 174.990 -0.332 0.000 1.332 737 C CA -0.120 58.387 59.018 -0.852 0.000 1.874 737 C CB -0.692 26.539 27.740 -0.849 0.000 2.596 737 C HN 0.704 nan 8.230 nan 0.000 0.590 738 V N 3.313 123.087 119.914 -0.232 0.000 3.432 738 V HA 0.413 4.934 4.120 0.667 0.000 0.298 738 V C -0.293 175.824 176.094 0.038 0.000 1.464 738 V CA -0.015 62.242 62.300 -0.071 0.000 1.046 738 V CB -0.740 31.066 31.823 -0.029 0.000 0.887 738 V HN 0.828 nan 8.190 nan 0.000 0.441 739 Y N 0.147 120.348 120.300 -0.166 0.000 2.474 739 Y HA 0.689 5.639 4.550 0.668 0.000 0.326 739 Y C -0.873 174.963 175.900 -0.108 0.000 1.160 739 Y CA -0.574 57.459 58.100 -0.112 0.000 1.056 739 Y CB 1.723 40.132 38.460 -0.084 0.000 1.330 739 Y HN 0.099 nan 8.280 nan 0.000 0.447 740 R N 3.259 123.360 120.500 -0.664 0.000 2.564 740 R HA 0.970 5.710 4.340 0.667 0.000 0.284 740 R C -1.956 173.982 176.300 -0.604 0.000 1.031 740 R CA -0.060 55.772 56.100 -0.446 0.000 0.904 740 R CB 1.159 31.316 30.300 -0.238 0.000 1.199 740 R HN 1.472 nan 8.270 nan 0.000 0.443 741 A N 1.886 124.497 122.820 -0.348 0.000 2.547 741 A HA 0.785 5.505 4.320 0.667 0.000 0.297 741 A C -0.281 177.256 177.584 -0.077 0.000 1.056 741 A CA -0.322 51.578 52.037 -0.229 0.000 0.688 741 A CB 1.523 20.408 19.000 -0.192 0.000 1.282 741 A HN 1.315 nan 8.150 nan 0.000 0.400 742 K N 0.454 120.817 120.400 -0.062 0.000 2.180 742 K HA 0.574 5.294 4.320 0.667 0.000 0.251 742 K C 0.384 176.971 176.600 -0.023 0.000 1.014 742 K CA 0.184 56.453 56.287 -0.031 0.000 0.913 742 K CB 0.034 32.514 32.500 -0.033 0.000 1.008 742 K HN 0.747 nan 8.250 nan 0.000 0.490 743 L N 0.374 121.587 121.223 -0.017 0.000 2.249 743 L HA 0.118 4.858 4.340 0.667 0.000 0.207 743 L C 0.852 177.682 176.870 -0.066 0.000 1.090 743 L CA 0.923 55.733 54.840 -0.049 0.000 0.802 743 L CB -0.112 41.929 42.059 -0.031 0.000 0.947 743 L HN 0.948 nan 8.230 nan 0.000 0.453 744 D N -0.869 119.506 120.400 -0.041 0.000 2.348 744 D HA 0.402 5.442 4.640 0.667 0.000 0.253 744 D C 1.271 177.546 176.300 -0.042 0.000 1.161 744 D CA 0.947 54.923 54.000 -0.041 0.000 0.876 744 D CB 0.656 41.440 40.800 -0.027 0.000 1.160 744 D HN 0.282 nan 8.370 nan 0.000 0.459 745 G N 1.725 110.497 108.800 -0.046 0.000 2.253 745 G HA2 -0.374 3.987 3.960 0.667 0.000 0.251 745 G HA3 -0.374 3.987 3.960 0.667 0.000 0.251 745 G C 1.127 175.999 174.900 -0.048 0.000 0.998 745 G CA 0.844 45.919 45.100 -0.041 0.000 0.621 745 G HN 0.724 nan 8.290 nan 0.000 0.524 746 W N -0.090 121.174 121.300 -0.060 0.000 2.640 746 W HA 0.813 5.874 4.660 0.667 0.000 0.271 746 W C 0.920 177.372 176.519 -0.111 0.000 1.218 746 W CA 1.100 58.404 57.345 -0.068 0.000 1.382 746 W CB 0.415 nan 29.460 nan 0.000 1.067 746 W HN 0.480 nan 8.180 nan 0.000 0.590 747 L N 0.334 121.474 121.223 -0.140 0.000 2.591 747 L HA 0.427 5.167 4.340 0.667 0.000 0.257 747 L C 0.158 176.936 176.870 -0.152 0.000 0.935 747 L CA -0.568 54.158 54.840 -0.190 0.000 0.873 747 L CB 2.292 44.140 42.059 -0.351 0.000 1.397 747 L HN 0.123 nan 8.230 nan 0.000 0.414 748 T N -1.848 112.627 114.554 -0.131 0.000 2.909 748 T HA 0.374 5.124 4.350 0.667 0.000 0.289 748 T C -1.995 172.652 174.700 -0.087 0.000 1.005 748 T CA -1.768 60.276 62.100 -0.092 0.000 1.084 748 T CB 1.511 70.336 68.868 -0.072 0.000 0.975 748 T HN 0.326 nan 8.240 nan 0.000 0.509 749 P HA -0.167 nan 4.420 nan 0.000 0.218 749 P C 1.530 178.812 177.300 -0.030 0.000 1.150 749 P CA 1.057 64.137 63.100 -0.034 0.000 0.841 749 P CB 0.057 31.745 31.700 -0.020 0.000 0.784 750 E N -0.809 119.366 120.200 -0.041 0.000 2.076 750 E HA -0.149 4.602 4.350 0.667 0.000 0.190 750 E C 1.702 178.262 176.600 -0.067 0.000 0.979 750 E CA 1.153 57.529 56.400 -0.041 0.000 0.807 750 E CB -1.089 28.588 29.700 -0.039 0.000 0.761 750 E HN 0.289 nan 8.360 nan 0.000 0.454 751 D N 0.136 120.479 120.400 -0.095 0.000 2.106 751 D HA -0.152 4.888 4.640 0.667 0.000 0.191 751 D C 2.163 178.392 176.300 -0.118 0.000 0.997 751 D CA 1.714 55.634 54.000 -0.134 0.000 0.834 751 D CB -0.956 39.745 40.800 -0.166 0.000 0.956 751 D HN 0.420 nan 8.370 nan 0.000 0.448 752 C N 0.588 119.834 119.300 -0.090 0.000 2.398 752 C HA -0.156 4.704 4.460 0.667 0.000 0.279 752 C C 2.387 177.471 174.990 0.158 0.000 1.250 752 C CA 0.663 59.708 59.018 0.045 0.000 1.786 752 C CB -1.003 26.756 27.740 0.032 0.000 2.018 752 C HN 0.340 nan 8.230 nan 0.000 0.494 753 R N -0.329 120.210 120.500 0.065 0.000 2.313 753 R HA 0.088 4.829 4.340 0.667 0.000 0.199 753 R C 1.695 177.993 176.300 -0.003 0.000 0.958 753 R CA 0.444 56.603 56.100 0.098 0.000 1.047 753 R CB -0.009 30.334 30.300 0.072 0.000 0.955 753 R HN 0.575 nan 8.270 nan 0.000 0.481 754 R N -0.354 119.965 120.500 -0.303 0.000 2.541 754 R HA 0.146 4.887 4.340 0.667 0.000 0.332 754 R C -0.317 175.107 176.300 -1.459 0.000 0.951 754 R CA 0.102 55.680 56.100 -0.870 0.000 1.136 754 R CB 1.338 31.396 30.300 -0.404 0.000 1.449 754 R HN 0.056 nan 8.270 nan 0.000 0.531 755 S N -0.011 115.233 115.700 -0.760 0.000 2.638 755 S HA 0.721 5.591 4.470 0.667 0.000 0.274 755 S C -0.731 174.038 174.600 0.281 0.000 1.157 755 S CA -0.972 57.058 58.200 -0.284 0.000 0.826 755 S CB 1.683 64.766 63.200 -0.195 0.000 1.139 755 S HN 0.176 nan 8.310 nan 0.000 0.474 756 F N -0.818 119.225 119.950 0.154 0.000 2.629 756 F HA 0.880 5.813 4.527 0.677 0.000 0.316 756 F C -1.406 174.359 175.800 -0.057 0.000 1.081 756 F CA -1.491 56.401 58.000 -0.179 0.000 0.954 756 F CB 0.969 39.545 39.000 -0.707 0.000 1.337 756 F HN 0.621 nan 8.300 nan 0.000 0.474 757 L N 2.516 123.743 121.223 0.007 0.000 2.296 757 L HA 0.518 5.259 4.340 0.667 0.000 0.286 757 L C -0.603 176.342 176.870 0.125 0.000 1.023 757 L CA -0.376 54.504 54.840 0.066 0.000 0.812 757 L CB 1.318 43.410 42.059 0.055 0.000 1.223 757 L HN 0.747 nan 8.230 nan 0.000 0.421 758 K N 4.239 124.711 120.400 0.119 0.000 2.183 758 K HA 0.678 5.398 4.320 0.667 0.000 0.274 758 K C -1.556 175.065 176.600 0.036 0.000 1.009 758 K CA -0.557 55.805 56.287 0.124 0.000 0.888 758 K CB 0.848 33.432 32.500 0.140 0.000 1.078 758 K HN 0.480 nan 8.250 nan 0.000 0.459 759 L N 3.880 125.116 121.223 0.021 0.000 2.386 759 L HA 0.715 5.456 4.340 0.667 0.000 0.271 759 L C -0.093 176.770 176.870 -0.012 0.000 0.993 759 L CA -0.478 54.353 54.840 -0.016 0.000 0.819 759 L CB 1.617 43.661 42.059 -0.025 0.000 1.294 759 L HN 0.575 nan 8.230 nan 0.000 0.414 760 I N 1.546 122.099 120.570 -0.029 0.000 2.865 760 I HA 0.882 5.452 4.170 0.667 0.000 0.302 760 I C -1.654 174.443 176.117 -0.032 0.000 1.140 760 I CA -0.879 60.408 61.300 -0.021 0.000 1.021 760 I CB 2.086 40.077 38.000 -0.015 0.000 1.233 760 I HN 0.639 nan 8.210 nan 0.000 0.427 761 L N 3.797 125.010 121.223 -0.017 0.000 2.381 761 L HA 0.871 5.611 4.340 0.667 0.000 0.274 761 L C -0.089 176.782 176.870 0.001 0.000 0.988 761 L CA -0.778 54.053 54.840 -0.016 0.000 0.824 761 L CB 1.720 43.775 42.059 -0.007 0.000 1.263 761 L HN 0.994 nan 8.230 nan 0.000 0.410 762 K N 0.969 121.370 120.400 0.001 0.000 2.395 762 K HA 0.818 5.539 4.320 0.667 0.000 0.247 762 K C -0.766 175.859 176.600 0.042 0.000 0.973 762 K CA -0.447 55.856 56.287 0.026 0.000 0.828 762 K CB 1.193 33.701 32.500 0.013 0.000 1.272 762 K HN 0.779 nan 8.250 nan 0.000 0.439 763 D N 0.070 120.515 120.400 0.076 0.000 2.356 763 D HA 0.244 5.284 4.640 0.667 0.000 0.258 763 D C 1.783 178.133 176.300 0.082 0.000 1.279 763 D CA 0.291 54.338 54.000 0.078 0.000 1.016 763 D CB -0.083 40.770 40.800 0.089 0.000 1.107 763 D HN 0.712 nan 8.370 nan 0.000 0.544 764 K N -0.012 120.434 120.400 0.078 0.000 1.987 764 K HA -0.187 4.534 4.320 0.667 0.000 0.216 764 K C 2.251 178.897 176.600 0.077 0.000 1.051 764 K CA 2.855 59.185 56.287 0.071 0.000 0.942 764 K CB -2.035 nan 32.500 nan 0.000 0.722 764 K HN 0.640 nan 8.250 nan 0.000 0.444 765 S N -1.361 114.406 115.700 0.112 0.000 2.440 765 S HA 0.172 5.042 4.470 0.667 0.000 0.240 765 S C 1.872 176.479 174.600 0.012 0.000 1.014 765 S CA 1.255 59.525 58.200 0.116 0.000 0.980 765 S CB -0.531 62.836 63.200 0.278 0.000 0.775 765 S HN 1.967 nan 8.310 nan 0.000 0.499 766 G N 0.354 109.169 108.800 0.025 0.000 2.144 766 G HA2 -0.193 4.167 3.960 0.667 0.000 0.218 766 G HA3 -0.193 4.167 3.960 0.667 0.000 0.218 766 G C -0.305 174.500 174.900 -0.158 0.000 0.988 766 G CA -0.106 44.955 45.100 -0.065 0.000 0.659 766 G HN 0.713 nan 8.290 nan 0.000 0.522 767 H N 0.625 119.701 119.070 0.009 0.000 2.848 767 H HA 0.420 5.376 4.556 0.666 0.000 0.317 767 H C 0.761 176.092 175.328 0.005 0.000 1.046 767 H CA 0.671 56.723 56.048 0.007 0.000 1.470 767 H CB 0.805 30.571 29.762 0.007 0.000 1.483 767 H HN 0.549 nan 8.280 nan 0.000 0.548 768 Q N 3.397 123.246 119.800 0.081 0.000 2.297 768 Q HA 0.159 4.899 4.340 0.667 0.000 0.267 768 Q C 0.436 176.471 176.000 0.058 0.000 1.006 768 Q CA -0.315 55.517 55.803 0.048 0.000 0.896 768 Q CB 0.725 29.477 28.738 0.023 0.000 1.186 768 Q HN 0.701 nan 8.270 nan 0.000 0.392 769 V N 0.739 120.679 119.914 0.044 0.000 3.635 769 V HA 0.694 5.215 4.120 0.667 0.000 0.266 769 V C 0.126 176.236 176.094 0.028 0.000 1.316 769 V CA 0.532 62.854 62.300 0.038 0.000 1.060 769 V CB 0.224 32.068 31.823 0.036 0.000 0.820 769 V HN 0.721 nan 8.190 nan 0.000 0.447 770 A N -0.272 122.561 122.820 0.022 0.000 2.604 770 A HA 0.805 5.525 4.320 0.667 0.000 0.295 770 A C -1.125 176.466 177.584 0.011 0.000 1.067 770 A CA -0.413 51.635 52.037 0.018 0.000 0.683 770 A CB 1.853 20.864 19.000 0.019 0.000 1.281 770 A HN 0.386 nan 8.150 nan 0.000 0.407 771 E N 0.073 120.280 120.200 0.011 0.000 2.356 771 E HA 0.691 5.442 4.350 0.667 0.000 0.275 771 E C -1.171 175.436 176.600 0.012 0.000 0.904 771 E CA -0.359 56.046 56.400 0.009 0.000 0.757 771 E CB 2.140 31.844 29.700 0.006 0.000 1.232 771 E HN 0.773 nan 8.360 nan 0.000 0.442 772 S N 1.781 117.490 115.700 0.014 0.000 2.618 772 S HA 0.664 5.535 4.470 0.667 0.000 0.277 772 S C -1.885 172.729 174.600 0.022 0.000 1.138 772 S CA -0.603 57.609 58.200 0.021 0.000 0.844 772 S CB 1.886 65.102 63.200 0.027 0.000 1.127 772 S HN 0.349 nan 8.310 nan 0.000 0.474 773 V N 2.690 122.615 119.914 0.018 0.000 2.709 773 V HA 0.717 5.238 4.120 0.667 0.000 0.308 773 V C -1.410 174.674 176.094 -0.017 0.000 1.062 773 V CA -0.406 61.883 62.300 -0.018 0.000 0.901 773 V CB 1.787 33.539 31.823 -0.118 0.000 1.003 773 V HN 1.095 nan 8.190 nan 0.000 0.425 774 H N 5.015 123.950 119.070 -0.226 0.000 2.538 774 H HA 0.695 5.651 4.556 0.668 0.000 0.353 774 H C -1.699 173.288 175.328 -0.570 0.000 1.109 774 H CA -0.615 55.263 56.048 -0.285 0.000 1.192 774 H CB 1.700 31.286 29.762 -0.293 0.000 1.555 774 H HN 0.595 nan 8.280 nan 0.000 0.518 775 F N 4.833 124.301 119.950 -0.803 0.000 2.458 775 F HA 0.231 5.157 4.527 0.664 0.000 0.336 775 F C -0.011 175.322 175.800 -0.779 0.000 1.114 775 F CA -0.640 57.017 58.000 -0.572 0.000 0.987 775 F CB 1.013 39.873 39.000 -0.233 0.000 1.130 775 F HN 0.584 nan 8.300 nan 0.000 0.458 776 F N 0.782 120.793 119.950 0.102 0.000 2.615 776 F HA 0.189 5.118 4.527 0.670 0.000 0.297 776 F C 1.032 176.900 175.800 0.114 0.000 1.124 776 F CA 0.265 58.367 58.000 0.171 0.000 1.451 776 F CB -0.153 38.962 39.000 0.192 0.000 1.103 776 F HN 0.131 nan 8.300 nan 0.000 0.569 777 R N 0.563 121.217 120.500 0.257 0.000 2.807 777 R HA 0.348 5.089 4.340 0.667 0.000 0.276 777 R C -0.264 176.050 176.300 0.024 0.000 0.979 777 R CA -1.087 55.097 56.100 0.141 0.000 0.928 777 R CB 1.153 31.546 30.300 0.154 0.000 1.191 777 R HN 0.025 nan 8.270 nan 0.000 0.471 778 K N 0.468 120.834 120.400 -0.056 0.000 2.527 778 K HA -0.017 4.703 4.320 0.667 0.000 0.278 778 K C 0.969 177.440 176.600 -0.215 0.000 0.981 778 K CA 0.345 56.521 56.287 -0.184 0.000 1.009 778 K CB 0.361 32.749 32.500 -0.187 0.000 0.895 778 K HN 0.438 nan 8.250 nan 0.000 0.493 779 T N 2.677 116.994 114.554 -0.394 0.000 2.737 779 T HA -0.203 4.547 4.350 0.667 0.000 0.269 779 T C 1.541 176.114 174.700 -0.212 0.000 1.040 779 T CA 1.835 63.719 62.100 -0.360 0.000 1.142 779 T CB -0.120 68.431 68.868 -0.528 0.000 0.861 779 T HN 0.631 nan 8.240 nan 0.000 0.456 780 K N 0.985 121.231 120.400 -0.257 0.000 2.280 780 K HA -0.068 4.653 4.320 0.667 0.000 0.202 780 K C 1.072 177.609 176.600 -0.104 0.000 1.047 780 K CA 1.441 57.629 56.287 -0.165 0.000 0.942 780 K CB 0.040 32.445 32.500 -0.159 0.000 0.739 780 K HN 0.184 nan 8.250 nan 0.000 0.457 781 D N 0.834 121.194 120.400 -0.067 0.000 2.349 781 D HA 0.139 5.180 4.640 0.667 0.000 0.214 781 D C 0.164 176.506 176.300 0.070 0.000 1.063 781 D CA 0.069 54.066 54.000 -0.005 0.000 0.847 781 D CB 0.193 40.992 40.800 -0.002 0.000 0.933 781 D HN 0.172 nan 8.370 nan 0.000 0.513 782 L N 0.935 122.220 121.223 0.104 0.000 2.397 782 L HA 0.115 4.855 4.340 0.667 0.000 0.271 782 L C 0.855 177.891 176.870 0.277 0.000 1.148 782 L CA -0.319 54.676 54.840 0.257 0.000 0.825 782 L CB 0.904 43.139 42.059 0.292 0.000 1.117 782 L HN -0.320 nan 8.230 nan 0.000 0.456 783 Q N 4.048 124.064 119.800 0.360 0.000 3.181 783 Q HA 0.320 5.061 4.340 0.667 0.000 0.293 783 Q C -0.058 176.199 176.000 0.428 0.000 1.406 783 Q CA -0.219 55.766 55.803 0.305 0.000 1.026 783 Q CB -0.553 28.302 28.738 0.195 0.000 1.630 783 Q HN 0.397 nan 8.270 nan 0.000 0.553 784 L N 3.515 124.942 121.223 0.339 0.000 2.410 784 L HA 0.261 5.001 4.340 0.667 0.000 0.273 784 L C -1.746 175.236 176.870 0.187 0.000 1.144 784 L CA -1.670 53.302 54.840 0.219 0.000 0.863 784 L CB 0.536 42.663 42.059 0.113 0.000 1.140 784 L HN 0.271 nan 8.230 nan 0.000 0.463 785 P HA 0.239 nan 4.420 nan 0.000 0.280 785 P C -2.575 174.771 177.300 0.077 0.000 1.244 785 P CA -1.904 61.275 63.100 0.131 0.000 0.784 785 P CB 0.273 32.059 31.700 0.143 0.000 0.913 786 P HA 0.130 nan 4.420 nan 0.000 0.262 786 P C -0.028 177.302 177.300 0.050 0.000 1.199 786 P CA 0.846 63.972 63.100 0.045 0.000 0.763 786 P CB 0.244 31.959 31.700 0.026 0.000 0.790 787 T N 1.600 116.197 114.554 0.072 0.000 2.812 787 T HA 0.563 5.314 4.350 0.667 0.000 0.294 787 T C -1.253 173.469 174.700 0.037 0.000 1.159 787 T CA -0.496 61.609 62.100 0.008 0.000 1.008 787 T CB 1.072 69.886 68.868 -0.090 0.000 1.289 787 T HN 0.046 nan 8.240 nan 0.000 0.514 788 S N 1.149 116.843 115.700 -0.010 0.000 2.605 788 S HA 0.631 5.501 4.470 0.667 0.000 0.308 788 S C -0.997 173.592 174.600 -0.019 0.000 1.113 788 S CA -0.490 57.720 58.200 0.017 0.000 1.049 788 S CB 0.896 64.112 63.200 0.027 0.000 1.001 788 S HN 0.560 nan 8.310 nan 0.000 0.480 789 V N 5.424 125.334 119.914 -0.006 0.000 2.368 789 V HA 0.416 4.936 4.120 0.667 0.000 0.266 789 V C 0.423 176.569 176.094 0.087 0.000 1.045 789 V CA -0.454 61.844 62.300 -0.003 0.000 0.899 789 V CB 0.765 32.566 31.823 -0.038 0.000 1.006 789 V HN 0.922 nan 8.190 nan 0.000 0.470 790 S N 5.505 121.273 115.700 0.114 0.000 2.651 790 S HA 0.879 5.749 4.470 0.667 0.000 0.291 790 S C -0.843 173.866 174.600 0.182 0.000 1.141 790 S CA -0.647 57.607 58.200 0.091 0.000 1.027 790 S CB 1.690 64.930 63.200 0.067 0.000 1.043 790 S HN 0.789 nan 8.310 nan 0.000 0.530 791 Y N -1.256 119.065 120.300 0.036 0.000 2.571 791 Y HA 0.693 5.673 4.550 0.717 0.000 0.341 791 Y C -1.194 174.714 175.900 0.013 0.000 1.076 791 Y CA -1.265 56.853 58.100 0.031 0.000 1.029 791 Y CB 0.889 39.357 38.460 0.013 0.000 1.308 791 Y HN 0.664 nan 8.280 nan 0.000 0.461 792 Q N 3.663 123.545 119.800 0.137 0.000 2.274 792 Q HA 0.606 5.347 4.340 0.667 0.000 0.260 792 Q C -1.218 174.902 176.000 0.200 0.000 0.974 792 Q CA -1.039 54.810 55.803 0.076 0.000 0.876 792 Q CB 2.946 31.699 28.738 0.025 0.000 1.297 792 Q HN 0.838 nan 8.270 nan 0.000 0.446 793 M N 1.601 121.300 119.600 0.165 0.000 2.253 793 M HA 0.361 5.242 4.480 0.667 0.000 0.314 793 M C -1.462 174.874 176.300 0.060 0.000 1.019 793 M CA -0.628 54.757 55.300 0.141 0.000 0.932 793 M CB 1.589 34.307 32.600 0.196 0.000 1.606 793 M HN 0.361 nan 8.290 nan 0.000 0.430 794 K N 4.932 125.352 120.400 0.033 0.000 2.367 794 K HA 0.419 5.139 4.320 0.667 0.000 0.263 794 K C -1.506 175.094 176.600 -0.001 0.000 1.000 794 K CA -0.504 55.790 56.287 0.012 0.000 0.891 794 K CB 1.567 34.070 32.500 0.006 0.000 1.117 794 K HN 0.913 nan 8.250 nan 0.000 0.443 795 Q N 2.879 122.677 119.800 -0.003 0.000 2.325 795 Q HA 0.461 5.202 4.340 0.667 0.000 0.262 795 Q C -0.358 175.632 176.000 -0.015 0.000 0.968 795 Q CA -0.376 55.418 55.803 -0.014 0.000 0.877 795 Q CB 1.621 30.351 28.738 -0.013 0.000 1.253 795 Q HN 0.978 nan 8.270 nan 0.000 0.448 796 T N -0.237 114.304 114.554 -0.021 0.000 2.773 796 T HA 0.357 5.108 4.350 0.667 0.000 0.278 796 T C -0.520 174.167 174.700 -0.022 0.000 1.011 796 T CA -1.026 61.063 62.100 -0.018 0.000 1.014 796 T CB 0.773 69.632 68.868 -0.016 0.000 1.293 796 T HN 0.405 nan 8.240 nan 0.000 0.554 797 D N 0.648 121.038 120.400 -0.018 0.000 2.434 797 D HA 0.404 5.444 4.640 0.667 0.000 0.252 797 D C 1.538 177.825 176.300 -0.023 0.000 1.185 797 D CA 1.827 55.816 54.000 -0.018 0.000 0.886 797 D CB 0.329 41.122 40.800 -0.012 0.000 1.148 797 D HN 1.095 nan 8.370 nan 0.000 0.483 798 G N 2.615 111.398 108.800 -0.029 0.000 2.184 798 G HA2 -0.315 4.045 3.960 0.667 0.000 0.264 798 G HA3 -0.315 4.045 3.960 0.667 0.000 0.264 798 G C 0.469 175.339 174.900 -0.050 0.000 0.975 798 G CA 0.800 45.879 45.100 -0.036 0.000 0.642 798 G HN 0.630 nan 8.290 nan 0.000 0.536 799 K N -0.887 119.482 120.400 -0.051 0.000 2.523 799 K HA 0.629 5.350 4.320 0.667 0.000 0.257 799 K C -1.291 175.270 176.600 -0.065 0.000 0.932 799 K CA -0.660 55.589 56.287 -0.063 0.000 0.812 799 K CB 1.540 34.011 32.500 -0.049 0.000 1.326 799 K HN 0.173 nan 8.250 nan 0.000 0.433 800 C N 2.762 122.009 119.300 -0.088 0.000 2.364 800 C HA 0.669 5.530 4.460 0.667 0.000 0.324 800 C C -0.507 174.439 174.990 -0.073 0.000 1.234 800 C CA -0.378 58.593 59.018 -0.079 0.000 1.417 800 C CB 0.667 28.343 27.740 -0.106 0.000 2.101 800 C HN 0.897 nan 8.230 nan 0.000 0.466 801 E N 3.962 124.138 120.200 -0.039 0.000 2.114 801 E HA 0.689 5.440 4.350 0.667 0.000 0.266 801 E C -1.145 175.456 176.600 0.002 0.000 0.896 801 E CA -0.288 56.098 56.400 -0.024 0.000 0.750 801 E CB 0.844 30.535 29.700 -0.015 0.000 1.121 801 E HN 0.753 nan 8.360 nan 0.000 0.413 802 L N 1.662 122.886 121.223 0.001 0.000 2.325 802 L HA 0.659 5.400 4.340 0.667 0.000 0.278 802 L C 0.157 177.066 176.870 0.065 0.000 1.023 802 L CA -0.963 53.901 54.840 0.041 0.000 0.811 802 L CB 2.430 44.470 42.059 -0.032 0.000 1.249 802 L HN 0.481 nan 8.230 nan 0.000 0.431 803 T N 3.944 118.564 114.554 0.111 0.000 2.786 803 T HA 0.599 5.350 4.350 0.667 0.000 0.283 803 T C -0.304 174.501 174.700 0.174 0.000 0.992 803 T CA -0.408 61.759 62.100 0.111 0.000 0.954 803 T CB 0.918 69.835 68.868 0.082 0.000 0.934 803 T HN 0.255 nan 8.240 nan 0.000 0.440 804 L N 3.634 124.961 121.223 0.173 0.000 2.317 804 L HA 0.719 5.460 4.340 0.667 0.000 0.281 804 L C -0.798 176.216 176.870 0.240 0.000 1.024 804 L CA -0.943 54.018 54.840 0.201 0.000 0.810 804 L CB 1.222 43.373 42.059 0.154 0.000 1.240 804 L HN 0.537 nan 8.230 nan 0.000 0.427 805 F N 1.699 121.683 119.950 0.057 0.000 2.556 805 F HA 0.642 5.568 4.527 0.664 0.000 0.314 805 F C -0.410 175.394 175.800 0.006 0.000 1.106 805 F CA -0.265 57.751 58.000 0.027 0.000 0.911 805 F CB 2.172 41.182 39.000 0.017 0.000 1.190 805 F HN 0.359 nan 8.300 nan 0.000 0.448 806 S N 2.446 117.613 115.700 -0.889 0.000 2.619 806 S HA 0.313 5.183 4.470 0.667 0.000 0.280 806 S C 0.381 174.450 174.600 -0.886 0.000 1.150 806 S CA 0.003 57.822 58.200 -0.635 0.000 0.978 806 S CB 1.260 64.236 63.200 -0.374 0.000 1.041 806 S HN 0.851 nan 8.310 nan 0.000 0.485 807 S N 4.689 120.094 115.700 -0.492 0.000 2.447 807 S HA 0.140 5.010 4.470 0.667 0.000 0.233 807 S C 0.675 175.203 174.600 -0.121 0.000 1.006 807 S CA 0.549 58.625 58.200 -0.208 0.000 0.957 807 S CB -0.369 62.877 63.200 0.077 0.000 0.773 807 S HN 0.683 nan 8.310 nan 0.000 0.507 808 M N 1.043 120.569 119.600 -0.124 0.000 2.598 808 M HA 0.474 5.354 4.480 0.667 0.000 0.317 808 M C -0.776 175.459 176.300 -0.109 0.000 1.179 808 M CA -1.114 54.159 55.300 -0.044 0.000 0.936 808 M CB 1.954 34.557 32.600 0.005 0.000 1.713 808 M HN 0.172 nan 8.290 nan 0.000 0.460 809 L N 2.647 123.847 121.223 -0.038 0.000 2.653 809 L HA 0.192 4.932 4.340 0.667 0.000 0.288 809 L C -0.549 176.162 176.870 -0.266 0.000 1.243 809 L CA 0.766 55.520 54.840 -0.143 0.000 0.906 809 L CB 0.068 42.011 42.059 -0.194 0.000 1.154 809 L HN 0.748 nan 8.230 nan 0.000 0.498 810 A N 5.146 127.783 122.820 -0.305 0.000 2.319 810 A HA 0.597 5.317 4.320 0.667 0.000 0.310 810 A C -0.619 176.807 177.584 -0.264 0.000 1.152 810 A CA -0.844 50.939 52.037 -0.423 0.000 0.783 810 A CB 0.875 19.486 19.000 -0.647 0.000 1.184 810 A HN 0.669 nan 8.150 nan 0.000 0.474 811 K N 2.297 122.599 120.400 -0.163 0.000 2.227 811 K HA 0.330 5.051 4.320 0.667 0.000 0.280 811 K C -0.441 176.120 176.600 -0.064 0.000 1.041 811 K CA 0.065 56.262 56.287 -0.150 0.000 0.905 811 K CB 0.264 32.661 32.500 -0.172 0.000 1.068 811 K HN 0.667 nan 8.250 nan 0.000 0.470 812 D N 3.077 123.412 120.400 -0.108 0.000 2.735 812 D HA -0.239 4.801 4.640 0.667 0.000 0.235 812 D C 0.039 176.302 176.300 -0.061 0.000 1.175 812 D CA 1.077 55.041 54.000 -0.060 0.000 0.683 812 D CB -1.068 39.723 40.800 -0.015 0.000 1.008 812 D HN 0.644 nan 8.370 nan 0.000 0.416 813 I N -2.315 118.071 120.570 -0.306 0.000 2.696 813 I HA 0.365 4.936 4.170 0.667 0.000 0.284 813 I C -0.144 175.640 176.117 -0.555 0.000 1.129 813 I CA -0.353 60.711 61.300 -0.392 0.000 1.410 813 I CB 0.631 38.333 38.000 -0.498 0.000 1.399 813 I HN -0.089 nan 8.210 nan 0.000 0.579 814 F N 7.643 127.162 119.950 -0.718 0.000 2.445 814 F HA 0.575 5.468 4.527 0.609 0.000 0.348 814 F C -0.717 174.671 175.800 -0.686 0.000 1.125 814 F CA -1.991 55.413 58.000 -0.994 0.000 0.983 814 F CB 0.939 39.436 39.000 -0.838 0.000 1.198 814 F HN 0.365 nan 8.300 nan 0.000 0.436 815 I N 5.649 125.823 120.570 -0.659 0.000 2.294 815 I HA 0.194 4.765 4.170 0.667 0.000 0.295 815 I C 0.049 175.711 176.117 -0.758 0.000 1.098 815 I CA -0.007 60.959 61.300 -0.557 0.000 1.277 815 I CB 0.489 38.357 38.000 -0.221 0.000 1.434 815 I HN 0.548 nan 8.210 nan 0.000 0.498 816 E N 6.365 126.007 120.200 -0.930 0.000 2.151 816 E HA 0.455 5.206 4.350 0.667 0.000 0.275 816 E C -0.800 175.586 176.600 -0.356 0.000 0.936 816 E CA -0.562 55.286 56.400 -0.919 0.000 0.777 816 E CB 1.365 30.326 29.700 -1.231 0.000 1.108 816 E HN 0.630 nan 8.360 nan 0.000 0.401 817 T N 1.337 115.809 114.554 -0.137 0.000 2.893 817 T HA 0.445 5.195 4.350 0.667 0.000 0.291 817 T C -1.995 172.687 174.700 -0.030 0.000 1.028 817 T CA -1.751 60.305 62.100 -0.074 0.000 0.995 817 T CB 1.785 70.621 68.868 -0.053 0.000 1.051 817 T HN 0.302 nan 8.240 nan 0.000 0.470 818 P HA 0.136 nan 4.420 nan 0.000 0.241 818 P C 0.330 177.624 177.300 -0.010 0.000 1.191 818 P CA -0.189 62.900 63.100 -0.017 0.000 0.771 818 P CB 0.105 31.792 31.700 -0.021 0.000 0.929 819 L N 1.761 122.977 121.223 -0.011 0.000 2.315 819 L HA 0.178 4.918 4.340 0.667 0.000 0.283 819 L C 0.393 177.268 176.870 0.008 0.000 1.089 819 L CA -0.121 54.710 54.840 -0.014 0.000 0.833 819 L CB -0.065 41.974 42.059 -0.034 0.000 1.170 819 L HN -0.129 nan 8.230 nan 0.000 0.442 820 Q N 3.894 123.689 119.800 -0.007 0.000 2.361 820 Q HA 0.217 4.957 4.340 0.667 0.000 0.276 820 Q C 1.226 177.259 176.000 0.054 0.000 1.022 820 Q CA 0.917 56.724 55.803 0.008 0.000 0.898 820 Q CB 0.632 29.325 28.738 -0.075 0.000 1.246 820 Q HN 1.016 nan 8.270 nan 0.000 0.410 821 G N 1.536 110.400 108.800 0.107 0.000 2.196 821 G HA2 -0.369 3.991 3.960 0.667 0.000 0.268 821 G HA3 -0.369 3.991 3.960 0.667 0.000 0.268 821 G C 0.486 175.423 174.900 0.061 0.000 0.975 821 G CA 0.408 45.568 45.100 0.099 0.000 0.648 821 G HN 0.993 nan 8.290 nan 0.000 0.538 822 A N 0.203 123.047 122.820 0.041 0.000 2.598 822 A HA 0.411 5.132 4.320 0.667 0.000 0.239 822 A C 0.884 178.443 177.584 -0.042 0.000 1.032 822 A CA 0.995 53.004 52.037 -0.048 0.000 0.760 822 A CB 0.077 19.015 19.000 -0.104 0.000 0.946 822 A HN 0.633 nan 8.150 nan 0.000 0.512 823 R N 1.027 121.431 120.500 -0.159 0.000 2.460 823 R HA 0.511 5.251 4.340 0.667 0.000 0.303 823 R C -1.577 174.600 176.300 -0.205 0.000 0.968 823 R CA -0.227 55.782 56.100 -0.152 0.000 0.889 823 R CB 1.388 31.585 30.300 -0.172 0.000 1.123 823 R HN 0.758 nan 8.270 nan 0.000 0.455 824 Y N 0.017 120.223 120.300 -0.157 0.000 2.364 824 Y HA 0.056 4.570 4.550 -0.061 0.000 0.340 824 Y C 1.579 177.454 175.900 -0.043 0.000 0.975 824 Y CA -0.618 57.456 58.100 -0.044 0.000 1.089 824 Y CB 2.224 40.722 38.460 0.063 0.000 1.192 824 Y HN 0.741 nan 8.280 nan 0.000 0.454 825 S N 0.137 115.892 115.700 0.091 0.000 2.402 825 S HA -0.160 4.710 4.470 0.667 0.000 0.233 825 S C 0.198 174.875 174.600 0.128 0.000 1.030 825 S CA 1.775 60.012 58.200 0.063 0.000 1.003 825 S CB -0.015 63.193 63.200 0.013 0.000 0.813 825 S HN 0.768 nan 8.310 nan 0.000 0.477 826 D N -0.827 119.677 120.400 0.174 0.000 2.653 826 D HA 0.606 5.646 4.640 0.667 0.000 0.258 826 D C -1.692 174.661 176.300 0.088 0.000 1.252 826 D CA -0.520 53.565 54.000 0.140 0.000 0.777 826 D CB 1.713 42.449 40.800 -0.106 0.000 1.339 826 D HN 0.112 nan 8.370 nan 0.000 0.422 827 N N 0.139 118.701 118.700 -0.231 0.000 3.127 827 N HA 0.350 5.490 4.740 0.667 0.000 0.239 827 N C -1.238 174.061 175.510 -0.353 0.000 1.407 827 N CA -0.478 52.301 53.050 -0.451 0.000 0.891 827 N CB 0.682 38.582 38.487 -0.977 0.000 1.447 827 N HN 0.454 nan 8.380 nan 0.000 0.507 828 F N 0.036 119.671 119.950 -0.525 0.000 2.891 828 F HA -0.213 4.744 4.527 0.718 0.000 0.272 828 F C -0.570 175.099 175.800 -0.220 0.000 1.004 828 F CA 0.824 58.603 58.000 -0.369 0.000 0.938 828 F CB -1.621 37.208 39.000 -0.285 0.000 0.939 828 F HN 0.337 nan 8.300 nan 0.000 0.833 829 F N -2.151 117.767 119.950 -0.053 0.000 2.603 829 F HA 0.710 5.560 4.527 0.538 0.000 0.317 829 F C -0.061 175.695 175.800 -0.073 0.000 1.066 829 F CA -2.009 55.961 58.000 -0.052 0.000 0.941 829 F CB 0.759 39.718 39.000 -0.067 0.000 1.291 829 F HN -0.186 nan 8.300 nan 0.000 0.472 830 D N 2.281 122.759 120.400 0.129 0.000 2.390 830 D HA 0.195 5.236 4.640 0.667 0.000 0.249 830 D C -0.709 175.649 176.300 0.097 0.000 1.144 830 D CA 0.156 54.161 54.000 0.008 0.000 0.880 830 D CB 1.975 42.770 40.800 -0.009 0.000 1.182 830 D HN 0.492 nan 8.370 nan 0.000 0.451 831 L N 3.999 125.206 121.223 -0.027 0.000 2.257 831 L HA 0.247 4.987 4.340 0.667 0.000 0.290 831 L C -0.643 176.167 176.870 -0.100 0.000 1.044 831 L CA -0.375 54.476 54.840 0.017 0.000 0.810 831 L CB 0.539 42.573 42.059 -0.042 0.000 1.193 831 L HN 0.217 nan 8.230 nan 0.000 0.425 832 L N 7.275 128.452 121.223 -0.078 0.000 2.371 832 L HA 0.427 5.168 4.340 0.667 0.000 0.272 832 L C -1.820 175.028 176.870 -0.037 0.000 1.124 832 L CA -2.025 52.772 54.840 -0.072 0.000 0.816 832 L CB 0.416 42.467 42.059 -0.014 0.000 1.129 832 L HN 0.506 nan 8.230 nan 0.000 0.448 833 P HA -0.074 nan 4.420 nan 0.000 0.261 833 P C 0.858 178.139 177.300 -0.031 0.000 1.183 833 P CA 0.866 63.960 63.100 -0.011 0.000 0.761 833 P CB 0.671 32.447 31.700 0.127 0.000 0.785 834 G N 2.764 111.456 108.800 -0.181 0.000 2.196 834 G HA2 -0.285 4.075 3.960 0.667 0.000 0.268 834 G HA3 -0.285 4.075 3.960 0.667 0.000 0.268 834 G C 0.006 174.993 174.900 0.146 0.000 0.975 834 G CA 0.121 45.238 45.100 0.028 0.000 0.648 834 G HN 0.652 nan 8.290 nan 0.000 0.538 835 E N 0.826 121.039 120.200 0.022 0.000 2.014 835 E HA 0.392 5.142 4.350 0.667 0.000 0.275 835 E C 0.660 177.315 176.600 0.091 0.000 0.997 835 E CA -0.749 55.699 56.400 0.080 0.000 0.804 835 E CB 0.820 30.551 29.700 0.052 0.000 1.090 835 E HN 0.348 nan 8.360 nan 0.000 0.401 836 R N 2.298 122.925 120.500 0.212 0.000 2.619 836 R HA -0.051 4.690 4.340 0.667 0.000 0.268 836 R C -0.134 176.228 176.300 0.103 0.000 0.990 836 R CA 0.764 57.000 56.100 0.226 0.000 1.092 836 R CB 0.342 30.760 30.300 0.197 0.000 0.935 836 R HN 0.139 nan 8.270 nan 0.000 0.415 837 K N 1.186 121.644 120.400 0.096 0.000 2.507 837 K HA 0.125 4.846 4.320 0.667 0.000 0.252 837 K C -1.595 175.024 176.600 0.031 0.000 0.943 837 K CA -0.669 55.635 56.287 0.028 0.000 0.808 837 K CB 1.619 34.134 32.500 0.024 0.000 1.142 837 K HN 0.172 nan 8.250 nan 0.000 0.426 838 K N 3.827 124.221 120.400 -0.011 0.000 2.248 838 K HA 0.508 5.228 4.320 0.667 0.000 0.281 838 K C -1.298 175.286 176.600 -0.028 0.000 1.054 838 K CA -0.497 55.788 56.287 -0.005 0.000 0.903 838 K CB 0.811 33.306 32.500 -0.008 0.000 1.077 838 K HN 0.413 nan 8.250 nan 0.000 0.474 839 V N 6.246 126.162 119.914 0.003 0.000 2.487 839 V HA 0.511 5.032 4.120 0.667 0.000 0.298 839 V C -0.110 175.978 176.094 -0.010 0.000 1.028 839 V CA -0.850 61.459 62.300 0.014 0.000 0.860 839 V CB 1.598 33.478 31.823 0.096 0.000 0.991 839 V HN 0.849 nan 8.190 nan 0.000 0.427 840 I N 5.811 126.367 120.570 -0.024 0.000 2.321 840 I HA 0.476 5.046 4.170 0.667 0.000 0.291 840 I C -0.436 175.605 176.117 -0.126 0.000 0.998 840 I CA -0.215 61.048 61.300 -0.062 0.000 1.227 840 I CB 1.357 39.327 38.000 -0.050 0.000 1.368 840 I HN 0.423 nan 8.210 nan 0.000 0.466 841 I N 5.872 126.321 120.570 -0.201 0.000 2.377 841 I HA 0.399 4.969 4.170 0.667 0.000 0.293 841 I C 0.142 176.117 176.117 -0.238 0.000 0.987 841 I CA -0.359 60.728 61.300 -0.354 0.000 1.185 841 I CB 1.851 39.559 38.000 -0.487 0.000 1.341 841 I HN 0.564 nan 8.210 nan 0.000 0.455 842 T N 1.505 115.925 114.554 -0.223 0.000 2.908 842 T HA 0.761 5.511 4.350 0.667 0.000 0.290 842 T C -0.503 174.120 174.700 -0.129 0.000 1.034 842 T CA -0.925 61.090 62.100 -0.141 0.000 1.010 842 T CB 2.036 70.845 68.868 -0.099 0.000 1.068 842 T HN 0.592 nan 8.240 nan 0.000 0.481 843 S N 1.523 117.171 115.700 -0.088 0.000 2.602 843 S HA 0.416 5.287 4.470 0.667 0.000 0.301 843 S C -2.519 172.057 174.600 -0.042 0.000 1.091 843 S CA -0.926 57.237 58.200 -0.062 0.000 0.895 843 S CB 1.618 64.777 63.200 -0.068 0.000 1.090 843 S HN 0.519 nan 8.310 nan 0.000 0.449 844 P HA -0.043 nan 4.420 nan 0.000 0.225 844 P C 0.830 178.122 177.300 -0.014 0.000 1.148 844 P CA 0.740 63.831 63.100 -0.014 0.000 0.779 844 P CB -0.065 31.634 31.700 -0.002 0.000 0.780 845 R N -0.664 119.825 120.500 -0.017 0.000 2.307 845 R HA 0.167 4.908 4.340 0.667 0.000 0.199 845 R C 0.977 177.263 176.300 -0.023 0.000 1.000 845 R CA 0.027 56.118 56.100 -0.015 0.000 1.023 845 R CB -0.380 29.913 30.300 -0.012 0.000 0.908 845 R HN 0.275 nan 8.270 nan 0.000 0.473 846 I N 2.136 122.686 120.570 -0.033 0.000 2.471 846 I HA 0.020 4.590 4.170 0.667 0.000 0.286 846 I C 0.140 176.241 176.117 -0.027 0.000 1.079 846 I CA 0.463 61.741 61.300 -0.038 0.000 1.398 846 I CB 0.625 38.592 38.000 -0.055 0.000 1.403 846 I HN -0.123 nan 8.210 nan 0.000 0.530 847 K N 5.227 125.613 120.400 -0.022 0.000 2.324 847 K HA 0.486 5.207 4.320 0.667 0.000 0.253 847 K C -0.198 176.393 176.600 -0.015 0.000 0.932 847 K CA -0.922 55.356 56.287 -0.016 0.000 0.799 847 K CB 1.696 34.189 32.500 -0.011 0.000 1.154 847 K HN 0.535 nan 8.250 nan 0.000 0.425 848 K N 0.699 121.091 120.400 -0.013 0.000 2.511 848 K HA 0.167 4.887 4.320 0.667 0.000 0.280 848 K C 0.821 177.416 176.600 -0.008 0.000 1.008 848 K CA 0.732 57.013 56.287 -0.010 0.000 1.050 848 K CB -0.861 31.634 32.500 -0.009 0.000 0.889 848 K HN 0.960 nan 8.250 nan 0.000 0.484 849 G N 0.754 109.550 108.800 -0.007 0.000 2.248 849 G HA2 -0.168 4.192 3.960 0.667 0.000 0.263 849 G HA3 -0.168 4.192 3.960 0.667 0.000 0.263 849 G C -0.064 174.832 174.900 -0.006 0.000 1.082 849 G CA 0.471 45.567 45.100 -0.006 0.000 0.863 849 G HN 1.091 nan 8.290 nan 0.000 0.495 850 E N -0.455 119.740 120.200 -0.007 0.000 3.364 850 E HA 0.265 5.015 4.350 0.667 0.000 0.305 850 E C 0.033 176.628 176.600 -0.009 0.000 1.141 850 E CA -0.246 56.149 56.400 -0.008 0.000 1.079 850 E CB 0.327 30.021 29.700 -0.010 0.000 1.343 850 E HN 0.271 nan 8.360 nan 0.000 0.391 851 E N 1.130 121.328 120.200 -0.004 0.000 3.434 851 E HA -0.159 4.591 4.350 0.667 0.000 0.248 851 E C -0.134 176.462 176.600 -0.006 0.000 0.895 851 E CA 0.180 56.581 56.400 0.003 0.000 0.953 851 E CB -0.283 29.424 29.700 0.013 0.000 0.893 851 E HN 0.380 nan 8.360 nan 0.000 0.570 852 L N 7.461 128.673 121.223 -0.019 0.000 2.462 852 L HA 0.301 5.041 4.340 0.667 0.000 0.272 852 L C -2.159 174.689 176.870 -0.037 0.000 1.166 852 L CA -1.388 53.428 54.840 -0.040 0.000 0.880 852 L CB 0.691 42.708 42.059 -0.071 0.000 1.142 852 L HN 0.415 nan 8.230 nan 0.000 0.473 853 P HA 0.140 nan 4.420 nan 0.000 0.267 853 P C -1.327 175.922 177.300 -0.084 0.000 1.205 853 P CA -0.004 63.073 63.100 -0.039 0.000 0.765 853 P CB 0.755 32.433 31.700 -0.037 0.000 0.828 854 V N 3.387 123.245 119.914 -0.094 0.000 2.638 854 V HA 0.455 4.975 4.120 0.667 0.000 0.306 854 V C -0.236 175.763 176.094 -0.159 0.000 1.052 854 V CA -0.556 61.625 62.300 -0.199 0.000 0.885 854 V CB 1.933 33.511 31.823 -0.408 0.000 0.999 854 V HN 0.493 nan 8.190 nan 0.000 0.424 855 N N 4.056 122.618 118.700 -0.231 0.000 2.399 855 N HA 0.602 5.742 4.740 0.667 0.000 0.280 855 N C -1.316 173.996 175.510 -0.330 0.000 1.008 855 N CA -0.407 52.508 53.050 -0.224 0.000 0.894 855 N CB 1.424 39.778 38.487 -0.222 0.000 1.273 855 N HN 0.643 nan 8.380 nan 0.000 0.486 856 I N 3.017 123.436 120.570 -0.250 0.000 2.354 856 I HA 0.321 4.892 4.170 0.667 0.000 0.286 856 I C -0.082 175.864 176.117 -0.286 0.000 1.007 856 I CA -0.667 60.457 61.300 -0.292 0.000 1.167 856 I CB 1.193 39.084 38.000 -0.182 0.000 1.320 856 I HN 0.326 nan 8.210 nan 0.000 0.458 857 K N 5.324 125.464 120.400 -0.433 0.000 2.156 857 K HA 0.703 5.423 4.320 0.667 0.000 0.250 857 K C -0.916 175.397 176.600 -0.478 0.000 0.955 857 K CA -0.840 55.117 56.287 -0.550 0.000 0.855 857 K CB 1.752 33.739 32.500 -0.856 0.000 1.101 857 K HN 0.656 nan 8.250 nan 0.000 0.434 858 H N -1.646 117.178 119.070 -0.411 0.000 2.990 858 H HA 0.314 5.266 4.556 0.660 0.000 0.343 858 H C 0.408 175.725 175.328 -0.019 0.000 1.270 858 H CA -0.977 54.962 56.048 -0.182 0.000 1.118 858 H CB 0.437 30.092 29.762 -0.178 0.000 1.861 858 H HN 0.287 nan 8.280 nan 0.000 0.544 859 I N 0.140 120.822 120.570 0.187 0.000 2.118 859 I HA -0.199 4.372 4.170 0.667 0.000 0.241 859 I C 2.451 178.543 176.117 -0.041 0.000 1.070 859 I CA 1.629 63.033 61.300 0.173 0.000 1.327 859 I CB -0.812 37.291 38.000 0.171 0.000 1.034 859 I HN 0.736 nan 8.210 nan 0.000 0.405 860 R N 1.636 122.069 120.500 -0.112 0.000 2.159 860 R HA -0.181 4.560 4.340 0.667 0.000 0.237 860 R C 1.972 177.889 176.300 -0.638 0.000 1.131 860 R CA 1.384 57.237 56.100 -0.412 0.000 0.982 860 R CB -0.406 29.828 30.300 -0.110 0.000 0.868 860 R HN 0.470 nan 8.270 nan 0.000 0.453 861 E N -0.925 118.915 120.200 -0.599 0.000 2.338 861 E HA -0.111 4.639 4.350 0.667 0.000 0.197 861 E C 1.274 177.677 176.600 -0.327 0.000 1.007 861 E CA 1.418 57.527 56.400 -0.485 0.000 0.849 861 E CB -0.031 29.335 29.700 -0.556 0.000 0.774 861 E HN 0.581 nan 8.360 nan 0.000 0.506 862 T N -1.157 113.240 114.554 -0.262 0.000 3.118 862 T HA -0.079 4.671 4.350 0.667 0.000 0.260 862 T C 0.245 175.000 174.700 0.091 0.000 1.139 862 T CA 0.107 62.191 62.100 -0.027 0.000 1.085 862 T CB -0.368 68.587 68.868 0.144 0.000 0.934 862 T HN 0.224 nan 8.240 nan 0.000 0.518 863 Y N -1.498 118.803 120.300 0.001 0.000 2.562 863 Y HA 0.811 5.761 4.550 0.668 0.000 0.345 863 Y C -0.543 175.361 175.900 0.006 0.000 1.045 863 Y CA -1.738 56.369 58.100 0.012 0.000 1.028 863 Y CB 1.193 39.668 38.460 0.025 0.000 1.297 863 Y HN -0.195 nan 8.280 nan 0.000 0.463 864 K N 0.000 120.495 120.400 0.158 0.000 2.780 864 K HA 0.000 4.720 4.320 0.667 0.000 0.191 864 K CA 0.000 56.341 56.287 0.091 0.000 0.838 864 K CB 0.000 32.527 32.500 0.045 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543