REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vot_1_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 DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK 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 0.000 175.507 175.510 -0.005 0.000 1.280 28 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 28 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 29 D N -0.895 119.507 120.400 0.003 0.000 2.825 29 D HA 0.336 4.979 4.640 0.005 0.000 0.327 29 D C 0.464 176.778 176.300 0.024 0.000 1.277 29 D CA 0.392 54.396 54.000 0.007 0.000 0.950 29 D CB 0.433 41.231 40.800 -0.002 0.000 1.438 29 D HN -0.008 nan 8.370 nan 0.000 0.526 30 T N -2.555 112.021 114.554 0.036 0.000 3.160 30 T HA 0.160 4.513 4.350 0.005 0.000 0.257 30 T C 0.790 175.537 174.700 0.078 0.000 1.147 30 T CA 0.354 62.483 62.100 0.050 0.000 1.064 30 T CB -0.882 68.015 68.868 0.048 0.000 0.949 30 T HN 0.563 nan 8.240 nan 0.000 0.526 31 S N 0.783 116.539 115.700 0.094 0.000 2.593 31 S HA 0.296 4.769 4.470 0.005 0.000 0.269 31 S C -0.219 174.458 174.600 0.129 0.000 1.334 31 S CA -0.942 57.344 58.200 0.144 0.000 1.015 31 S CB 1.141 64.427 63.200 0.143 0.000 0.912 31 S HN 0.657 nan 8.310 nan 0.000 0.541 32 E N 0.642 120.956 120.200 0.191 0.000 2.187 32 E HA 0.529 4.882 4.350 0.005 0.000 0.268 32 E C -1.661 175.091 176.600 0.252 0.000 0.896 32 E CA -0.998 55.510 56.400 0.181 0.000 0.766 32 E CB 1.637 31.422 29.700 0.140 0.000 1.142 32 E HN 0.518 nan 8.360 nan 0.000 0.408 33 V N 5.681 125.690 119.914 0.158 0.000 2.417 33 V HA 0.348 4.471 4.120 0.005 0.000 0.291 33 V C 0.036 176.206 176.094 0.127 0.000 1.024 33 V CA -0.530 61.845 62.300 0.125 0.000 0.861 33 V CB 1.362 33.216 31.823 0.052 0.000 0.985 33 V HN 0.831 nan 8.190 nan 0.000 0.436 34 M N 5.308 124.996 119.600 0.148 0.000 2.129 34 M HA 0.455 4.938 4.480 0.005 0.000 0.348 34 M C -1.114 175.191 176.300 0.009 0.000 1.116 34 M CA -0.712 54.650 55.300 0.105 0.000 1.022 34 M CB 1.500 34.215 32.600 0.191 0.000 1.599 34 M HN 0.409 nan 8.290 nan 0.000 0.449 35 L N 4.951 126.185 121.223 0.019 0.000 2.281 35 L HA 0.259 4.602 4.340 0.005 0.000 0.285 35 L C -0.175 176.711 176.870 0.028 0.000 1.074 35 L CA 0.339 55.186 54.840 0.012 0.000 0.817 35 L CB 0.589 42.668 42.059 0.033 0.000 1.168 35 L HN 0.614 nan 8.230 nan 0.000 0.434 36 L N 4.674 125.912 121.223 0.025 0.000 2.423 36 L HA 0.169 4.512 4.340 0.005 0.000 0.249 36 L C 0.068 177.171 176.870 0.389 0.000 1.276 36 L CA -0.152 54.769 54.840 0.134 0.000 1.199 36 L CB -0.435 41.665 42.059 0.068 0.000 1.407 36 L HN 0.681 nan 8.230 nan 0.000 0.410 37 D N -1.645 118.929 120.400 0.290 0.000 2.479 37 D HA 0.071 4.714 4.640 0.005 0.000 0.218 37 D C 0.345 176.855 176.300 0.350 0.000 1.177 37 D CA -0.099 54.076 54.000 0.292 0.000 0.830 37 D CB 0.434 41.318 40.800 0.139 0.000 1.014 37 D HN 0.250 nan 8.370 nan 0.000 0.503 38 T N -4.023 110.755 114.554 0.373 0.000 2.887 38 T HA 0.578 4.931 4.350 0.005 0.000 0.292 38 T C 0.962 175.815 174.700 0.255 0.000 1.087 38 T CA -0.538 61.756 62.100 0.323 0.000 1.009 38 T CB 1.616 70.597 68.868 0.188 0.000 1.203 38 T HN 0.210 nan 8.240 nan 0.000 0.518 39 G N -0.432 108.503 108.800 0.226 0.000 2.143 39 G HA2 -0.214 3.749 3.960 0.005 0.000 0.248 39 G HA3 -0.214 3.749 3.960 0.005 0.000 0.248 39 G C -0.258 174.722 174.900 0.133 0.000 0.991 39 G CA -0.270 44.909 45.100 0.132 0.000 0.689 39 G HN 0.696 nan 8.290 nan 0.000 0.522 40 W N 0.760 122.174 121.300 0.191 0.000 2.261 40 W HA 0.633 5.296 4.660 0.005 0.000 0.323 40 W C 0.753 177.437 176.519 0.275 0.000 1.243 40 W CA -0.360 57.135 57.345 0.250 0.000 1.210 40 W CB 0.699 30.347 29.460 0.313 0.000 1.149 40 W HN 0.219 nan 8.180 nan 0.000 0.562 41 E N 2.367 122.887 120.200 0.533 0.000 2.312 41 E HA 0.560 4.913 4.350 0.005 0.000 0.267 41 E C -1.184 175.780 176.600 0.606 0.000 0.894 41 E CA -1.157 55.555 56.400 0.521 0.000 0.773 41 E CB 2.232 32.171 29.700 0.398 0.000 1.241 41 E HN 0.353 nan 8.360 nan 0.000 0.432 42 F N -0.996 119.048 119.950 0.156 0.000 2.611 42 F HA 0.840 5.370 4.527 0.005 0.000 0.324 42 F C -0.583 175.005 175.800 -0.354 0.000 1.061 42 F CA -0.845 56.984 58.000 -0.286 0.000 0.954 42 F CB 2.099 40.538 39.000 -0.935 0.000 1.301 42 F HN 0.351 nan 8.300 nan 0.000 0.482 43 S N 1.075 116.277 115.700 -0.830 0.000 2.536 43 S HA 0.225 4.698 4.470 0.005 0.000 0.271 43 S C -1.530 172.773 174.600 -0.496 0.000 1.134 43 S CA -0.711 56.859 58.200 -1.050 0.000 0.897 43 S CB 1.731 63.776 63.200 -1.924 0.000 1.094 43 S HN 0.968 nan 8.310 nan 0.000 0.473 44 Q N 2.546 122.091 119.800 -0.425 0.000 2.289 44 Q HA 0.246 4.589 4.340 0.005 0.000 0.273 44 Q C -0.543 175.130 176.000 -0.545 0.000 1.029 44 Q CA 0.090 55.502 55.803 -0.652 0.000 0.896 44 Q CB 0.465 28.859 28.738 -0.573 0.000 1.182 44 Q HN 0.679 nan 8.270 nan 0.000 0.385 45 S N 2.593 117.962 115.700 -0.552 0.000 2.525 45 S HA 0.296 4.769 4.470 0.005 0.000 0.285 45 S C 0.835 175.304 174.600 -0.217 0.000 1.283 45 S CA 0.511 58.520 58.200 -0.319 0.000 1.072 45 S CB 0.691 63.738 63.200 -0.256 0.000 0.867 45 S HN 0.992 nan 8.310 nan 0.000 0.492 46 G N 2.282 111.003 108.800 -0.131 0.000 2.176 46 G HA2 -0.289 3.674 3.960 0.005 0.000 0.232 46 G HA3 -0.289 3.674 3.960 0.005 0.000 0.232 46 G C 0.750 175.585 174.900 -0.109 0.000 0.986 46 G CA 0.570 45.622 45.100 -0.080 0.000 0.643 46 G HN 0.884 nan 8.290 nan 0.000 0.522 47 T N -2.542 111.907 114.554 -0.175 0.000 3.040 47 T HA 0.357 4.710 4.350 0.005 0.000 0.252 47 T C 1.243 175.861 174.700 -0.136 0.000 1.064 47 T CA 1.253 63.253 62.100 -0.167 0.000 1.110 47 T CB -0.009 68.727 68.868 -0.219 0.000 0.921 47 T HN 0.771 nan 8.240 nan 0.000 0.480 48 E N 0.054 120.163 120.200 -0.151 0.000 3.799 48 E HA -0.200 4.153 4.350 0.005 0.000 0.320 48 E C 0.069 176.644 176.600 -0.042 0.000 0.760 48 E CA 0.971 57.356 56.400 -0.025 0.000 1.153 48 E CB -1.629 28.100 29.700 0.048 0.000 1.589 48 E HN 0.709 nan 8.360 nan 0.000 0.448 49 K N 0.533 120.793 120.400 -0.234 0.000 2.234 49 K HA 0.325 4.648 4.320 0.005 0.000 0.277 49 K C -0.908 175.438 176.600 -0.423 0.000 1.038 49 K CA -0.410 55.761 56.287 -0.195 0.000 0.888 49 K CB 0.605 32.998 32.500 -0.179 0.000 1.091 49 K HN -0.075 nan 8.250 nan 0.000 0.467 50 W N 5.410 126.621 121.300 -0.148 0.000 2.551 50 W HA 0.453 5.116 4.660 0.005 0.000 0.330 50 W C -0.273 176.118 176.519 -0.213 0.000 1.063 50 W CA -0.714 56.518 57.345 -0.188 0.000 1.222 50 W CB 1.367 30.773 29.460 -0.089 0.000 1.349 50 W HN 0.274 nan 8.180 nan 0.000 0.536 51 M N 3.554 123.089 119.600 -0.109 0.000 2.572 51 M HA 0.421 4.904 4.480 0.005 0.000 0.299 51 M C -2.528 173.912 176.300 0.235 0.000 1.205 51 M CA -2.198 53.051 55.300 -0.084 0.000 0.876 51 M CB 1.850 34.188 32.600 -0.437 0.000 1.728 51 M HN -0.036 nan 8.290 nan 0.000 0.458 52 P HA 0.238 nan 4.420 nan 0.000 0.267 52 P C -1.212 176.424 177.300 0.560 0.000 1.200 52 P CA 0.031 63.375 63.100 0.407 0.000 0.772 52 P CB 0.494 32.400 31.700 0.342 0.000 0.855 53 A N 1.944 125.051 122.820 0.478 0.000 2.532 53 A HA 0.785 5.108 4.320 0.005 0.000 0.290 53 A C -0.883 176.869 177.584 0.281 0.000 1.143 53 A CA -0.417 51.840 52.037 0.367 0.000 0.728 53 A CB 1.062 20.307 19.000 0.409 0.000 1.317 53 A HN 0.396 nan 8.150 nan 0.000 0.414 54 T N 0.721 115.356 114.554 0.135 0.000 2.792 54 T HA 0.602 4.955 4.350 0.005 0.000 0.280 54 T C -1.025 173.646 174.700 -0.049 0.000 0.990 54 T CA -0.313 61.830 62.100 0.071 0.000 0.960 54 T CB 1.168 70.052 68.868 0.027 0.000 0.939 54 T HN 0.630 nan 8.240 nan 0.000 0.439 55 V N 5.393 125.233 119.914 -0.123 0.000 2.623 55 V HA 0.405 4.528 4.120 0.005 0.000 0.304 55 V C -2.358 173.624 176.094 -0.188 0.000 1.054 55 V CA -2.094 59.995 62.300 -0.353 0.000 0.882 55 V CB 2.014 33.207 31.823 -1.051 0.000 1.002 55 V HN 0.681 nan 8.190 nan 0.000 0.424 56 P HA 0.502 nan 4.420 nan 0.000 0.267 56 P C 0.222 177.450 177.300 -0.119 0.000 1.200 56 P CA 0.480 63.489 63.100 -0.151 0.000 0.772 56 P CB 0.782 32.437 31.700 -0.076 0.000 0.855 57 G N 0.058 108.773 108.800 -0.141 0.000 2.348 57 G HA2 0.574 4.537 3.960 0.005 0.000 0.296 57 G HA3 0.574 4.537 3.960 0.005 0.000 0.296 57 G C -1.503 173.286 174.900 -0.185 0.000 1.258 57 G CA -0.282 44.741 45.100 -0.128 0.000 0.868 57 G HN 0.654 nan 8.290 nan 0.000 0.488 58 T N -2.725 111.704 114.554 -0.209 0.000 2.896 58 T HA 0.576 4.929 4.350 0.005 0.000 0.297 58 T C 0.957 175.459 174.700 -0.329 0.000 1.108 58 T CA 0.105 62.051 62.100 -0.257 0.000 1.004 58 T CB 1.590 70.357 68.868 -0.168 0.000 1.159 58 T HN 0.821 nan 8.240 nan 0.000 0.499 59 V N 1.018 120.676 119.914 -0.427 0.000 2.287 59 V HA -0.191 3.932 4.120 0.005 0.000 0.248 59 V C 2.457 178.155 176.094 -0.660 0.000 1.053 59 V CA 2.192 64.093 62.300 -0.665 0.000 1.027 59 V CB -1.221 29.949 31.823 -1.088 0.000 0.646 59 V HN 0.992 nan 8.190 nan 0.000 0.447 60 H N -0.466 118.287 119.070 -0.527 0.000 2.289 60 H HA -0.237 4.322 4.556 0.005 0.000 0.296 60 H C 2.336 177.481 175.328 -0.307 0.000 1.091 60 H CA 2.210 58.014 56.048 -0.407 0.000 1.274 60 H CB -0.251 29.300 29.762 -0.351 0.000 1.364 60 H HN 0.358 nan 8.280 nan 0.000 0.490 61 Q N 0.753 120.464 119.800 -0.149 0.000 2.084 61 Q HA -0.147 4.196 4.340 0.005 0.000 0.202 61 Q C 1.410 177.298 176.000 -0.187 0.000 0.978 61 Q CA 1.826 57.543 55.803 -0.142 0.000 0.844 61 Q CB -0.200 28.472 28.738 -0.111 0.000 0.898 61 Q HN 0.459 nan 8.270 nan 0.000 0.426 62 D N -0.382 119.828 120.400 -0.316 0.000 2.144 62 D HA -0.143 4.500 4.640 0.005 0.000 0.199 62 D C 1.908 178.123 176.300 -0.141 0.000 0.984 62 D CA 1.074 54.826 54.000 -0.414 0.000 0.834 62 D CB -0.098 40.041 40.800 -1.102 0.000 0.955 62 D HN 0.316 nan 8.370 nan 0.000 0.465 63 L N 0.432 121.577 121.223 -0.130 0.000 2.005 63 L HA -0.131 4.212 4.340 0.005 0.000 0.207 63 L C 2.607 179.538 176.870 0.102 0.000 1.072 63 L CA 0.724 55.635 54.840 0.119 0.000 0.744 63 L CB -0.371 41.681 42.059 -0.012 0.000 0.895 63 L HN -0.029 nan 8.230 nan 0.000 0.433 64 I N 0.021 120.589 120.570 -0.004 0.000 2.151 64 I HA -0.361 3.812 4.170 0.005 0.000 0.243 64 I C 2.689 178.794 176.117 -0.020 0.000 1.080 64 I CA 1.846 63.142 61.300 -0.007 0.000 1.339 64 I CB -0.416 37.552 38.000 -0.054 0.000 1.039 64 I HN 0.376 nan 8.210 nan 0.000 0.409 65 S N -0.625 115.020 115.700 -0.092 0.000 2.547 65 S HA -0.153 4.320 4.470 0.005 0.000 0.235 65 S C 1.357 175.758 174.600 -0.332 0.000 0.980 65 S CA 0.881 58.960 58.200 -0.202 0.000 0.941 65 S CB -0.447 62.586 63.200 -0.279 0.000 0.763 65 S HN 0.505 nan 8.310 nan 0.000 0.532 66 H N 1.306 120.439 119.070 0.104 0.000 2.581 66 H HA 0.292 4.851 4.556 0.005 0.000 0.275 66 H C -0.263 175.126 175.328 0.102 0.000 1.126 66 H CA 0.227 56.346 56.048 0.119 0.000 1.097 66 H CB -0.145 29.717 29.762 0.168 0.000 1.626 66 H HN 0.608 nan 8.280 nan 0.000 0.565 67 E N 1.022 121.309 120.200 0.144 0.000 2.297 67 E HA -0.206 4.147 4.350 0.005 0.000 0.228 67 E C 0.260 176.953 176.600 0.154 0.000 1.213 67 E CA 0.192 56.665 56.400 0.121 0.000 0.712 67 E CB -1.676 28.081 29.700 0.095 0.000 1.202 67 E HN 0.491 nan 8.360 nan 0.000 0.376 68 L N -0.437 120.904 121.223 0.196 0.000 2.693 68 L HA 0.330 4.673 4.340 0.005 0.000 0.235 68 L C 0.646 177.692 176.870 0.293 0.000 1.127 68 L CA 0.193 55.179 54.840 0.244 0.000 0.914 68 L CB 0.340 42.581 42.059 0.303 0.000 1.193 68 L HN 0.145 nan 8.230 nan 0.000 0.502 69 L N 0.068 121.415 121.223 0.206 0.000 2.393 69 L HA 0.524 4.867 4.340 0.005 0.000 0.260 69 L C -2.309 174.642 176.870 0.135 0.000 1.002 69 L CA -1.722 53.236 54.840 0.197 0.000 0.818 69 L CB 2.748 44.878 42.059 0.117 0.000 1.369 69 L HN -0.206 nan 8.230 nan 0.000 0.412 70 P HA 0.048 nan 4.420 nan 0.000 0.274 70 P C -0.921 176.436 177.300 0.095 0.000 1.256 70 P CA -0.513 62.659 63.100 0.119 0.000 0.795 70 P CB 0.439 32.233 31.700 0.156 0.000 1.038 71 N N 2.054 120.811 118.700 0.095 0.000 2.417 71 N HA -0.024 4.719 4.740 0.005 0.000 0.272 71 N C -1.377 174.221 175.510 0.146 0.000 1.304 71 N CA -1.456 51.649 53.050 0.091 0.000 0.906 71 N CB -0.116 38.460 38.487 0.149 0.000 1.135 71 N HN 0.179 nan 8.380 nan 0.000 0.483 72 P HA -0.091 nan 4.420 nan 0.000 0.222 72 P C 0.717 178.202 177.300 0.307 0.000 1.147 72 P CA 1.007 64.128 63.100 0.035 0.000 0.790 72 P CB 0.008 31.598 31.700 -0.183 0.000 0.780 73 F N -2.267 117.868 119.950 0.308 0.000 2.664 73 F HA 0.132 4.662 4.527 0.005 0.000 0.296 73 F C 1.271 177.488 175.800 0.695 0.000 1.125 73 F CA -1.083 57.213 58.000 0.492 0.000 1.444 73 F CB -1.538 37.692 39.000 0.383 0.000 1.114 73 F HN -0.142 nan 8.300 nan 0.000 0.576 74 Y N 1.262 121.916 120.300 0.590 0.000 2.436 74 Y HA 0.424 4.977 4.550 0.005 0.000 0.336 74 Y C 1.135 177.339 175.900 0.507 0.000 1.049 74 Y CA 0.505 58.899 58.100 0.490 0.000 1.294 74 Y CB -0.032 38.619 38.460 0.317 0.000 1.179 74 Y HN 0.333 nan 8.280 nan 0.000 0.520 75 G N 4.823 113.808 108.800 0.308 0.000 2.561 75 G HA2 -0.307 3.655 3.960 0.005 0.000 0.289 75 G HA3 -0.307 3.655 3.960 0.005 0.000 0.289 75 G C 0.504 175.631 174.900 0.378 0.000 1.169 75 G CA 0.409 45.676 45.100 0.279 0.000 0.980 75 G HN 0.537 nan 8.290 nan 0.000 0.550 76 M N 1.818 121.568 119.600 0.251 0.000 2.419 76 M HA 0.194 4.677 4.480 0.005 0.000 0.252 76 M C 1.639 178.049 176.300 0.182 0.000 1.143 76 M CA 0.063 55.479 55.300 0.193 0.000 0.985 76 M CB -0.417 32.269 32.600 0.143 0.000 1.489 76 M HN 0.426 nan 8.290 nan 0.000 0.484 77 N N 1.402 120.242 118.700 0.233 0.000 2.585 77 N HA -0.168 4.575 4.740 0.005 0.000 0.188 77 N C 1.513 177.118 175.510 0.158 0.000 1.102 77 N CA 0.668 53.846 53.050 0.213 0.000 0.920 77 N CB -0.164 38.483 38.487 0.267 0.000 0.963 77 N HN 0.538 nan 8.380 nan 0.000 0.447 78 E N 1.119 121.391 120.200 0.120 0.000 2.077 78 E HA -0.191 4.162 4.350 0.005 0.000 0.193 78 E C 1.725 178.356 176.600 0.052 0.000 0.989 78 E CA 1.071 57.495 56.400 0.041 0.000 0.800 78 E CB 0.064 29.746 29.700 -0.029 0.000 0.746 78 E HN 0.215 nan 8.360 nan 0.000 0.452 79 K N 0.389 120.835 120.400 0.077 0.000 2.147 79 K HA -0.110 4.213 4.320 0.005 0.000 0.205 79 K C 1.551 178.233 176.600 0.136 0.000 1.049 79 K CA 1.189 57.530 56.287 0.090 0.000 0.936 79 K CB 0.124 32.672 32.500 0.081 0.000 0.722 79 K HN 0.052 nan 8.250 nan 0.000 0.446 80 K N 0.632 121.127 120.400 0.158 0.000 2.487 80 K HA -0.002 4.321 4.320 0.005 0.000 0.192 80 K C 1.625 178.403 176.600 0.297 0.000 1.027 80 K CA 0.648 57.068 56.287 0.221 0.000 1.054 80 K CB 0.156 32.774 32.500 0.196 0.000 0.824 80 K HN 0.404 nan 8.250 nan 0.000 0.510 81 I N -3.283 117.391 120.570 0.173 0.000 4.227 81 I HA 0.074 4.247 4.170 0.005 0.000 0.334 81 I C 1.266 177.306 176.117 -0.127 0.000 1.341 81 I CA -0.218 61.102 61.300 0.034 0.000 1.123 81 I CB 0.335 38.347 38.000 0.020 0.000 1.097 81 I HN -0.203 nan 8.210 nan 0.000 0.399 82 Q N 1.947 121.766 119.800 0.032 0.000 2.226 82 Q HA -0.136 4.207 4.340 0.005 0.000 0.204 82 Q C 1.910 177.937 176.000 0.046 0.000 0.975 82 Q CA 1.979 57.804 55.803 0.038 0.000 0.866 82 Q CB -0.486 28.313 28.738 0.101 0.000 0.915 82 Q HN 0.920 nan 8.270 nan 0.000 0.440 83 W N -0.090 121.272 121.300 0.102 0.000 2.392 83 W HA -0.069 4.594 4.660 0.005 0.000 0.279 83 W C 1.403 178.005 176.519 0.138 0.000 1.225 83 W CA 0.512 57.919 57.345 0.102 0.000 1.233 83 W CB -1.091 28.419 29.460 0.085 0.000 1.122 83 W HN -0.134 nan 8.180 nan 0.000 0.561 84 V N 2.857 122.320 119.914 -0.751 0.000 2.324 84 V HA -0.357 3.766 4.120 0.005 0.000 0.250 84 V C 2.693 178.779 176.094 -0.013 0.000 1.060 84 V CA 2.797 64.702 62.300 -0.659 0.000 1.042 84 V CB -1.163 29.974 31.823 -1.144 0.000 0.650 84 V HN 0.345 nan 8.190 nan 0.000 0.450 85 E N 0.330 120.523 120.200 -0.011 0.000 2.472 85 E HA -0.214 4.139 4.350 0.005 0.000 0.200 85 E C 1.482 178.164 176.600 0.136 0.000 1.046 85 E CA 1.611 58.057 56.400 0.077 0.000 0.871 85 E CB -0.489 29.221 29.700 0.017 0.000 0.806 85 E HN 0.772 nan 8.360 nan 0.000 0.533 86 N N 0.118 118.916 118.700 0.164 0.000 2.392 86 N HA 0.010 4.753 4.740 0.005 0.000 0.177 86 N C -0.072 175.507 175.510 0.115 0.000 1.066 86 N CA 0.012 53.152 53.050 0.151 0.000 0.895 86 N CB 0.400 38.989 38.487 0.171 0.000 0.988 86 N HN 0.084 nan 8.380 nan 0.000 0.457 87 E N 0.899 121.164 120.200 0.108 0.000 2.280 87 E HA 0.183 4.536 4.350 0.005 0.000 0.264 87 E C -0.755 175.687 176.600 -0.263 0.000 1.064 87 E CA -0.144 56.160 56.400 -0.159 0.000 0.900 87 E CB 0.756 30.188 29.700 -0.446 0.000 1.123 87 E HN 0.052 nan 8.360 nan 0.000 0.418 88 D N 0.172 120.310 120.400 -0.437 0.000 2.229 88 D HA 0.406 5.049 4.640 0.005 0.000 0.249 88 D C -0.654 175.189 176.300 -0.761 0.000 1.027 88 D CA -0.149 53.625 54.000 -0.377 0.000 0.923 88 D CB 0.638 41.299 40.800 -0.232 0.000 1.174 88 D HN 0.195 nan 8.370 nan 0.000 0.443 89 W N 0.442 121.648 121.300 -0.156 0.000 2.883 89 W HA 0.363 5.026 4.660 0.005 0.000 0.335 89 W C -0.082 176.444 176.519 0.012 0.000 1.083 89 W CA -0.776 56.540 57.345 -0.048 0.000 1.233 89 W CB 1.284 30.819 29.460 0.125 0.000 1.412 89 W HN 0.041 nan 8.180 nan 0.000 0.490 90 E N 1.862 122.160 120.200 0.164 0.000 2.212 90 E HA 0.491 4.844 4.350 0.005 0.000 0.268 90 E C -1.566 175.287 176.600 0.421 0.000 0.902 90 E CA -1.198 55.388 56.400 0.309 0.000 0.779 90 E CB 2.340 32.179 29.700 0.232 0.000 1.172 90 E HN 0.382 nan 8.360 nan 0.000 0.409 91 Y N 1.024 121.708 120.300 0.640 0.000 2.485 91 Y HA 0.438 4.992 4.550 0.005 0.000 0.345 91 Y C 0.165 176.392 175.900 0.546 0.000 0.998 91 Y CA -0.948 57.592 58.100 0.734 0.000 1.059 91 Y CB 2.050 40.978 38.460 0.780 0.000 1.234 91 Y HN 0.471 nan 8.280 nan 0.000 0.461 92 R N 0.564 121.349 120.500 0.474 0.000 2.740 92 R HA 0.862 5.205 4.340 0.005 0.000 0.273 92 R C -1.803 174.357 176.300 -0.232 0.000 0.998 92 R CA -0.749 55.240 56.100 -0.185 0.000 0.900 92 R CB 2.389 32.065 30.300 -1.040 0.000 1.223 92 R HN 0.642 nan 8.270 nan 0.000 0.466 93 T N 0.047 114.300 114.554 -0.501 0.000 2.843 93 T HA 0.546 4.899 4.350 0.005 0.000 0.302 93 T C -1.346 173.229 174.700 -0.209 0.000 1.232 93 T CA -0.446 61.328 62.100 -0.542 0.000 1.009 93 T CB 2.020 70.115 68.868 -1.289 0.000 1.254 93 T HN 0.611 nan 8.240 nan 0.000 0.504 94 S N 0.975 116.611 115.700 -0.107 0.000 2.570 94 S HA 0.944 5.417 4.470 0.005 0.000 0.286 94 S C -1.526 173.095 174.600 0.034 0.000 1.099 94 S CA -0.669 57.484 58.200 -0.078 0.000 0.913 94 S CB 1.058 64.217 63.200 -0.068 0.000 1.085 94 S HN 0.667 nan 8.310 nan 0.000 0.480 95 F N -0.370 119.493 119.950 -0.146 0.000 2.686 95 F HA 0.740 5.270 4.527 0.005 0.000 0.311 95 F C -1.664 174.091 175.800 -0.074 0.000 1.128 95 F CA -1.334 56.617 58.000 -0.082 0.000 0.946 95 F CB 0.672 39.649 39.000 -0.039 0.000 1.336 95 F HN 0.228 nan 8.300 nan 0.000 0.457 96 I N 2.883 123.533 120.570 0.133 0.000 2.412 96 I HA 0.591 4.764 4.170 0.005 0.000 0.296 96 I C -0.455 175.740 176.117 0.131 0.000 0.987 96 I CA -1.108 60.210 61.300 0.029 0.000 1.180 96 I CB 1.503 39.512 38.000 0.016 0.000 1.340 96 I HN 0.530 nan 8.210 nan 0.000 0.455 97 V N 4.714 124.663 119.914 0.058 0.000 2.604 97 V HA 0.454 4.577 4.120 0.005 0.000 0.305 97 V C 0.270 176.362 176.094 -0.004 0.000 1.043 97 V CA -0.635 61.715 62.300 0.084 0.000 0.888 97 V CB 2.152 34.092 31.823 0.196 0.000 0.995 97 V HN 0.929 nan 8.190 nan 0.000 0.429 98 S N 2.187 117.852 115.700 -0.059 0.000 2.672 98 S HA 0.340 4.813 4.470 0.005 0.000 0.276 98 S C 0.906 175.479 174.600 -0.044 0.000 1.207 98 S CA -0.341 57.823 58.200 -0.060 0.000 1.002 98 S CB 1.442 64.590 63.200 -0.087 0.000 0.998 98 S HN 0.798 nan 8.310 nan 0.000 0.542 99 E N 0.380 120.560 120.200 -0.033 0.000 2.160 99 E HA -0.211 4.142 4.350 0.005 0.000 0.195 99 E C 1.309 177.893 176.600 -0.027 0.000 0.991 99 E CA 1.537 57.924 56.400 -0.022 0.000 0.810 99 E CB -0.060 29.628 29.700 -0.020 0.000 0.742 99 E HN 0.752 nan 8.360 nan 0.000 0.466 100 E N 0.356 120.527 120.200 -0.047 0.000 2.072 100 E HA -0.155 4.198 4.350 0.005 0.000 0.190 100 E C 2.005 178.563 176.600 -0.070 0.000 0.982 100 E CA 0.916 57.284 56.400 -0.053 0.000 0.803 100 E CB -0.169 29.494 29.700 -0.062 0.000 0.755 100 E HN 0.277 nan 8.360 nan 0.000 0.453 101 Q N -0.161 119.558 119.800 -0.136 0.000 2.050 101 Q HA -0.115 4.228 4.340 0.005 0.000 0.202 101 Q C 1.920 177.947 176.000 0.045 0.000 0.980 101 Q CA 0.871 56.553 55.803 -0.202 0.000 0.840 101 Q CB -0.162 28.218 28.738 -0.596 0.000 0.898 101 Q HN 0.153 nan 8.270 nan 0.000 0.424 102 L N 1.309 122.562 121.223 0.050 0.000 2.265 102 L HA -0.154 4.189 4.340 0.005 0.000 0.215 102 L C 1.663 178.564 176.870 0.051 0.000 1.117 102 L CA 1.526 56.418 54.840 0.088 0.000 0.782 102 L CB -0.570 41.523 42.059 0.056 0.000 0.914 102 L HN 0.287 nan 8.230 nan 0.000 0.441 103 N N -0.822 117.892 118.700 0.024 0.000 2.463 103 N HA -0.061 4.681 4.740 0.005 0.000 0.181 103 N C 0.247 175.758 175.510 0.002 0.000 1.078 103 N CA -0.176 52.879 53.050 0.007 0.000 0.902 103 N CB 0.297 38.782 38.487 -0.004 0.000 0.970 103 N HN 0.152 nan 8.380 nan 0.000 0.451 104 R N 1.547 122.058 120.500 0.019 0.000 2.734 104 R HA -0.020 4.323 4.340 0.005 0.000 0.266 104 R C 0.750 177.004 176.300 -0.077 0.000 1.044 104 R CA -0.066 56.031 56.100 -0.006 0.000 1.128 104 R CB 0.228 30.559 30.300 0.052 0.000 1.010 104 R HN 0.152 nan 8.270 nan 0.000 0.461 105 D N 0.337 120.656 120.400 -0.134 0.000 2.123 105 D HA -0.053 4.590 4.640 0.005 0.000 0.196 105 D C 0.886 177.005 176.300 -0.300 0.000 0.992 105 D CA 1.548 55.445 54.000 -0.172 0.000 0.833 105 D CB 0.100 40.811 40.800 -0.149 0.000 0.954 105 D HN 0.636 nan 8.370 nan 0.000 0.455 106 G N -0.715 107.695 108.800 -0.650 0.000 2.612 106 G HA2 0.648 4.611 3.960 0.005 0.000 0.298 106 G HA3 0.648 4.611 3.960 0.005 0.000 0.298 106 G C -1.147 173.354 174.900 -0.666 0.000 1.336 106 G CA -0.571 44.036 45.100 -0.821 0.000 0.953 106 G HN 0.025 nan 8.290 nan 0.000 0.482 107 I N 0.402 120.819 120.570 -0.255 0.000 2.571 107 I HA 0.390 4.563 4.170 0.005 0.000 0.289 107 I C -0.703 175.380 176.117 -0.057 0.000 1.115 107 I CA -0.606 60.586 61.300 -0.180 0.000 1.045 107 I CB 2.576 40.446 38.000 -0.216 0.000 1.238 107 I HN 0.450 nan 8.210 nan 0.000 0.424 108 Q N 5.925 125.701 119.800 -0.040 0.000 2.310 108 Q HA 0.539 4.882 4.340 0.005 0.000 0.270 108 Q C -1.968 173.968 176.000 -0.107 0.000 1.025 108 Q CA -0.862 54.947 55.803 0.009 0.000 0.772 108 Q CB 2.775 31.579 28.738 0.110 0.000 1.253 108 Q HN 0.637 nan 8.270 nan 0.000 0.450 109 L N 5.264 126.435 121.223 -0.086 0.000 2.275 109 L HA 0.568 4.911 4.340 0.005 0.000 0.288 109 L C -1.629 175.155 176.870 -0.144 0.000 1.046 109 L CA -0.114 54.629 54.840 -0.162 0.000 0.805 109 L CB 1.176 43.168 42.059 -0.111 0.000 1.193 109 L HN 0.660 nan 8.230 nan 0.000 0.426 110 I N 5.621 126.045 120.570 -0.242 0.000 2.436 110 I HA 0.370 4.543 4.170 0.005 0.000 0.289 110 I C -1.042 174.918 176.117 -0.262 0.000 1.010 110 I CA -0.003 61.215 61.300 -0.136 0.000 1.098 110 I CB 1.506 39.461 38.000 -0.075 0.000 1.266 110 I HN 0.378 nan 8.210 nan 0.000 0.434 111 F N 4.665 124.661 119.950 0.076 0.000 2.361 111 F HA 0.352 4.882 4.527 0.005 0.000 0.364 111 F C 1.385 177.198 175.800 0.020 0.000 1.117 111 F CA -0.397 57.650 58.000 0.078 0.000 1.071 111 F CB 1.193 40.288 39.000 0.157 0.000 1.188 111 F HN 0.532 nan 8.300 nan 0.000 0.464 112 E N 2.119 122.365 120.200 0.076 0.000 2.418 112 E HA 0.146 4.499 4.350 0.005 0.000 0.197 112 E C 0.729 177.252 176.600 -0.128 0.000 1.026 112 E CA 0.254 56.636 56.400 -0.030 0.000 0.862 112 E CB 0.292 29.943 29.700 -0.082 0.000 0.799 112 E HN 0.738 nan 8.360 nan 0.000 0.518 113 G N 0.588 109.351 108.800 -0.062 0.000 2.617 113 G HA2 0.425 4.388 3.960 0.005 0.000 0.305 113 G HA3 0.425 4.388 3.960 0.005 0.000 0.305 113 G C -1.551 173.487 174.900 0.230 0.000 1.436 113 G CA -0.827 44.212 45.100 -0.102 0.000 1.036 113 G HN -0.034 nan 8.290 nan 0.000 0.589 114 L N 2.228 123.723 121.223 0.455 0.000 2.376 114 L HA 0.482 4.825 4.340 0.005 0.000 0.275 114 L C -1.222 175.884 176.870 0.393 0.000 0.987 114 L CA -0.894 54.200 54.840 0.422 0.000 0.828 114 L CB 2.485 44.650 42.059 0.177 0.000 1.249 114 L HN 0.519 nan 8.230 nan 0.000 0.409 115 D N 1.646 122.240 120.400 0.323 0.000 2.454 115 D HA 0.391 5.034 4.640 0.005 0.000 0.225 115 D C 0.039 176.419 176.300 0.133 0.000 1.081 115 D CA -0.082 53.919 54.000 0.001 0.000 0.864 115 D CB 1.558 42.181 40.800 -0.296 0.000 1.040 115 D HN 0.500 nan 8.370 nan 0.000 0.517 116 T N 2.308 116.962 114.554 0.166 0.000 3.408 116 T HA 0.066 4.419 4.350 0.005 0.000 0.273 116 T C -0.209 174.388 174.700 -0.172 0.000 0.983 116 T CA 0.088 62.116 62.100 -0.121 0.000 1.087 116 T CB -0.100 68.541 68.868 -0.378 0.000 1.170 116 T HN 0.230 nan 8.240 nan 0.000 0.456 117 Y N 2.751 123.176 120.300 0.210 0.000 2.627 117 Y HA 0.679 5.232 4.550 0.005 0.000 0.347 117 Y C 0.242 176.267 175.900 0.208 0.000 1.099 117 Y CA -1.157 57.056 58.100 0.189 0.000 1.408 117 Y CB 0.027 38.620 38.460 0.223 0.000 1.247 117 Y HN 0.206 nan 8.280 nan 0.000 0.506 118 A N 2.646 125.510 122.820 0.072 0.000 2.319 118 A HA 0.557 4.880 4.320 0.005 0.000 0.310 118 A C -0.979 176.493 177.584 -0.187 0.000 1.152 118 A CA -0.923 50.962 52.037 -0.253 0.000 0.783 118 A CB 0.587 19.214 19.000 -0.622 0.000 1.184 118 A HN 0.474 nan 8.150 nan 0.000 0.474 119 D N 2.022 122.368 120.400 -0.089 0.000 2.274 119 D HA 0.413 5.056 4.640 0.005 0.000 0.239 119 D C -0.463 175.625 176.300 -0.353 0.000 1.104 119 D CA 0.160 54.041 54.000 -0.199 0.000 0.840 119 D CB 1.753 42.535 40.800 -0.031 0.000 1.100 119 D HN 0.159 nan 8.370 nan 0.000 0.477 120 V N 3.770 123.397 119.914 -0.478 0.000 2.370 120 V HA 0.291 4.414 4.120 0.005 0.000 0.283 120 V C -0.721 175.162 176.094 -0.352 0.000 1.023 120 V CA -0.671 61.447 62.300 -0.302 0.000 0.857 120 V CB 0.347 31.994 31.823 -0.293 0.000 0.985 120 V HN 0.354 nan 8.190 nan 0.000 0.443 121 Y N 4.896 125.299 120.300 0.170 0.000 2.393 121 Y HA 0.737 5.290 4.550 0.005 0.000 0.341 121 Y C -0.328 175.705 175.900 0.221 0.000 0.988 121 Y CA -1.020 57.179 58.100 0.166 0.000 1.078 121 Y CB 2.005 40.554 38.460 0.148 0.000 1.203 121 Y HN 0.515 nan 8.280 nan 0.000 0.453 122 L N 4.537 125.954 121.223 0.322 0.000 2.406 122 L HA 0.532 4.875 4.340 0.005 0.000 0.270 122 L C -0.642 176.345 176.870 0.196 0.000 0.982 122 L CA -0.629 54.374 54.840 0.273 0.000 0.843 122 L CB 0.841 43.055 42.059 0.257 0.000 1.225 122 L HN 0.734 nan 8.230 nan 0.000 0.412 123 N N 4.289 123.092 118.700 0.171 0.000 2.740 123 N HA -0.194 4.549 4.740 0.005 0.000 0.248 123 N C 0.987 176.549 175.510 0.086 0.000 1.062 123 N CA 1.463 54.577 53.050 0.108 0.000 0.704 123 N CB -1.211 37.314 38.487 0.064 0.000 0.968 123 N HN 1.293 nan 8.380 nan 0.000 0.547 124 G N -1.958 106.892 108.800 0.084 0.000 2.199 124 G HA2 -0.299 3.664 3.960 0.005 0.000 0.254 124 G HA3 -0.299 3.664 3.960 0.005 0.000 0.254 124 G C 0.049 175.018 174.900 0.115 0.000 0.982 124 G CA 0.621 45.755 45.100 0.057 0.000 0.632 124 G HN 0.903 nan 8.290 nan 0.000 0.529 125 S N 0.017 115.813 115.700 0.160 0.000 2.442 125 S HA 0.619 5.092 4.470 0.005 0.000 0.297 125 S C 0.173 174.904 174.600 0.219 0.000 1.131 125 S CA -0.594 57.700 58.200 0.157 0.000 1.092 125 S CB 0.972 64.239 63.200 0.111 0.000 0.998 125 S HN 1.152 nan 8.310 nan 0.000 0.478 126 L N 7.278 128.617 121.223 0.193 0.000 2.485 126 L HA 0.269 4.612 4.340 0.005 0.000 0.279 126 L C 0.604 177.441 176.870 -0.055 0.000 1.124 126 L CA 0.576 55.397 54.840 -0.030 0.000 0.888 126 L CB -0.210 41.838 42.059 -0.018 0.000 1.217 126 L HN 0.838 nan 8.230 nan 0.000 0.464 127 L N 4.928 126.103 121.223 -0.081 0.000 2.209 127 L HA 0.170 4.513 4.340 0.005 0.000 0.207 127 L C -0.013 176.809 176.870 -0.080 0.000 1.094 127 L CA 0.248 55.072 54.840 -0.026 0.000 0.790 127 L CB -0.065 42.022 42.059 0.047 0.000 0.932 127 L HN 0.579 nan 8.230 nan 0.000 0.447 128 L N -0.581 120.534 121.223 -0.181 0.000 2.643 128 L HA 0.326 4.669 4.340 0.005 0.000 0.257 128 L C -1.523 175.172 176.870 -0.292 0.000 0.922 128 L CA -0.435 54.262 54.840 -0.238 0.000 0.909 128 L CB 1.731 43.594 42.059 -0.327 0.000 1.424 128 L HN -0.130 nan 8.230 nan 0.000 0.422 129 K N 4.206 124.466 120.400 -0.234 0.000 2.414 129 K HA 0.778 5.101 4.320 0.005 0.000 0.251 129 K C -0.561 175.917 176.600 -0.203 0.000 1.037 129 K CA -0.461 55.718 56.287 -0.180 0.000 0.980 129 K CB 1.563 34.010 32.500 -0.088 0.000 1.280 129 K HN 0.719 nan 8.250 nan 0.000 0.451 130 A N 2.398 125.045 122.820 -0.289 0.000 2.340 130 A HA 0.264 4.587 4.320 0.005 0.000 0.268 130 A C 0.127 177.655 177.584 -0.094 0.000 1.100 130 A CA -0.294 51.520 52.037 -0.372 0.000 0.803 130 A CB 0.286 18.970 19.000 -0.527 0.000 1.043 130 A HN 0.821 nan 8.150 nan 0.000 0.488 131 D N -0.133 120.262 120.400 -0.008 0.000 2.704 131 D HA 0.082 4.725 4.640 0.005 0.000 0.291 131 D C -0.763 175.454 176.300 -0.139 0.000 1.610 131 D CA -0.254 53.692 54.000 -0.090 0.000 0.807 131 D CB -0.374 40.484 40.800 0.096 0.000 1.233 131 D HN 0.274 nan 8.370 nan 0.000 0.445 132 N N 1.078 119.754 118.700 -0.040 0.000 2.572 132 N HA 0.130 4.873 4.740 0.005 0.000 0.287 132 N C 0.361 175.814 175.510 -0.095 0.000 1.136 132 N CA -0.302 52.694 53.050 -0.090 0.000 0.900 132 N CB 1.693 40.174 38.487 -0.011 0.000 1.484 132 N HN 0.042 nan 8.380 nan 0.000 0.526 133 M N 2.710 122.119 119.600 -0.318 0.000 2.267 133 M HA -0.047 4.436 4.480 0.005 0.000 0.263 133 M C -0.109 176.225 176.300 0.058 0.000 1.063 133 M CA 1.820 56.959 55.300 -0.269 0.000 1.090 133 M CB -0.009 32.112 32.600 -0.798 0.000 1.392 133 M HN 0.396 nan 8.290 nan 0.000 0.422 134 F N -0.317 119.754 119.950 0.200 0.000 2.692 134 F HA 0.271 4.801 4.527 0.005 0.000 0.303 134 F C 0.043 175.852 175.800 0.014 0.000 1.114 134 F CA -0.344 57.818 58.000 0.270 0.000 1.361 134 F CB -0.525 38.673 39.000 0.329 0.000 1.063 134 F HN -0.209 nan 8.300 nan 0.000 0.550 135 V N -0.223 119.609 119.914 -0.136 0.000 2.555 135 V HA 0.726 4.849 4.120 0.005 0.000 0.302 135 V C 0.526 175.954 176.094 -1.110 0.000 1.038 135 V CA -1.094 60.728 62.300 -0.795 0.000 0.887 135 V CB 1.435 32.815 31.823 -0.737 0.000 0.991 135 V HN 0.187 nan 8.190 nan 0.000 0.434 136 G N 2.691 110.418 108.800 -1.788 0.000 2.400 136 G HA2 0.577 4.540 3.960 0.005 0.000 0.301 136 G HA3 0.577 4.540 3.960 0.005 0.000 0.301 136 G C -1.542 172.935 174.900 -0.704 0.000 1.154 136 G CA -0.197 44.365 45.100 -0.895 0.000 0.852 136 G HN 0.512 nan 8.290 nan 0.000 0.511 137 Y N 0.037 120.296 120.300 -0.067 0.000 2.364 137 Y HA 0.469 5.022 4.550 0.005 0.000 0.340 137 Y C 0.554 176.497 175.900 0.073 0.000 0.975 137 Y CA -0.619 57.488 58.100 0.012 0.000 1.089 137 Y CB 2.637 41.137 38.460 0.067 0.000 1.192 137 Y HN 0.390 nan 8.280 nan 0.000 0.454 138 T N 5.536 120.200 114.554 0.184 0.000 2.770 138 T HA 0.622 4.975 4.350 0.005 0.000 0.283 138 T C -0.676 174.099 174.700 0.126 0.000 0.988 138 T CA -0.607 61.566 62.100 0.121 0.000 0.957 138 T CB 0.248 69.156 68.868 0.066 0.000 0.930 138 T HN 0.372 nan 8.240 nan 0.000 0.443 139 L N 5.924 127.215 121.223 0.113 0.000 2.376 139 L HA 0.451 4.794 4.340 0.005 0.000 0.275 139 L C -2.278 174.638 176.870 0.077 0.000 0.987 139 L CA -2.470 52.436 54.840 0.109 0.000 0.828 139 L CB 2.215 44.363 42.059 0.149 0.000 1.249 139 L HN 0.345 nan 8.230 nan 0.000 0.409 140 P HA 0.046 nan 4.420 nan 0.000 0.276 140 P C 0.284 177.617 177.300 0.055 0.000 1.253 140 P CA -0.068 63.071 63.100 0.065 0.000 0.766 140 P CB 1.494 33.233 31.700 0.065 0.000 0.845 141 V N 1.012 120.950 119.914 0.039 0.000 3.398 141 V HA 0.159 4.282 4.120 0.005 0.000 0.298 141 V C 2.002 178.122 176.094 0.044 0.000 1.496 141 V CA 0.171 62.503 62.300 0.052 0.000 1.044 141 V CB -0.418 31.448 31.823 0.072 0.000 0.880 141 V HN 0.331 nan 8.190 nan 0.000 0.443 142 K N 2.603 123.014 120.400 0.019 0.000 2.059 142 K HA -0.249 4.074 4.320 0.005 0.000 0.212 142 K C 2.228 178.850 176.600 0.036 0.000 1.050 142 K CA 2.510 58.811 56.287 0.022 0.000 0.927 142 K CB -0.280 32.213 32.500 -0.011 0.000 0.714 142 K HN 0.745 nan 8.250 nan 0.000 0.447 143 S N -0.518 115.201 115.700 0.031 0.000 2.474 143 S HA -0.048 4.425 4.470 0.005 0.000 0.235 143 S C 1.695 176.318 174.600 0.039 0.000 0.997 143 S CA 0.982 59.201 58.200 0.031 0.000 0.949 143 S CB 0.322 63.538 63.200 0.027 0.000 0.766 143 S HN 0.168 nan 8.310 nan 0.000 0.517 144 V N 0.730 120.675 119.914 0.051 0.000 3.565 144 V HA 0.374 4.497 4.120 0.005 0.000 0.260 144 V C 0.908 177.038 176.094 0.059 0.000 1.231 144 V CA 0.095 62.430 62.300 0.059 0.000 1.100 144 V CB -0.208 31.660 31.823 0.075 0.000 0.807 144 V HN 0.430 nan 8.190 nan 0.000 0.454 145 L N 0.687 121.951 121.223 0.069 0.000 2.453 145 L HA 0.365 4.708 4.340 0.005 0.000 0.261 145 L C 0.317 177.206 176.870 0.032 0.000 1.179 145 L CA 0.260 55.141 54.840 0.068 0.000 0.813 145 L CB 0.473 42.613 42.059 0.134 0.000 1.110 145 L HN 0.189 nan 8.230 nan 0.000 0.466 146 R N 0.884 121.380 120.500 -0.007 0.000 2.744 146 R HA 0.335 4.678 4.340 0.005 0.000 0.279 146 R C -0.995 175.288 176.300 -0.030 0.000 0.977 146 R CA -1.074 55.014 56.100 -0.021 0.000 0.906 146 R CB 2.128 32.403 30.300 -0.042 0.000 1.197 146 R HN 0.392 nan 8.270 nan 0.000 0.463 147 K N 1.365 121.754 120.400 -0.018 0.000 2.412 147 K HA 0.273 4.596 4.320 0.005 0.000 0.281 147 K C 0.358 176.930 176.600 -0.045 0.000 1.027 147 K CA 1.162 57.436 56.287 -0.020 0.000 0.989 147 K CB 0.387 32.879 32.500 -0.013 0.000 0.935 147 K HN 0.748 nan 8.250 nan 0.000 0.475 148 G N 2.822 111.590 108.800 -0.054 0.000 2.475 148 G HA2 -0.199 3.764 3.960 0.005 0.000 0.223 148 G HA3 -0.199 3.764 3.960 0.005 0.000 0.223 148 G C -1.045 173.768 174.900 -0.145 0.000 1.201 148 G CA -0.585 44.469 45.100 -0.076 0.000 0.962 148 G HN 0.624 nan 8.290 nan 0.000 0.586 149 E N 1.872 121.960 120.200 -0.186 0.000 2.360 149 E HA 0.319 4.672 4.350 0.005 0.000 0.269 149 E C -0.025 176.251 176.600 -0.540 0.000 1.022 149 E CA -0.039 56.155 56.400 -0.343 0.000 0.887 149 E CB 0.581 30.111 29.700 -0.282 0.000 0.990 149 E HN 0.434 nan 8.360 nan 0.000 0.426 150 N N 2.060 120.260 118.700 -0.834 0.000 2.238 150 N HA 0.281 5.024 4.740 0.005 0.000 0.302 150 N C -0.930 173.994 175.510 -0.976 0.000 1.072 150 N CA -0.529 51.964 53.050 -0.928 0.000 0.792 150 N CB 1.552 39.272 38.487 -1.279 0.000 1.425 150 N HN 0.336 nan 8.380 nan 0.000 0.478 151 H N 1.570 120.499 119.070 -0.235 0.000 2.589 151 H HA 0.317 4.876 4.556 0.005 0.000 0.335 151 H C -0.756 174.651 175.328 0.132 0.000 1.019 151 H CA -0.552 55.476 56.048 -0.034 0.000 1.213 151 H CB 2.306 32.100 29.762 0.053 0.000 1.472 151 H HN 0.316 nan 8.280 nan 0.000 0.508 152 L N 4.340 125.736 121.223 0.287 0.000 2.313 152 L HA 0.361 4.704 4.340 0.005 0.000 0.283 152 L C -1.591 175.503 176.870 0.373 0.000 1.013 152 L CA -0.557 54.498 54.840 0.359 0.000 0.816 152 L CB 0.609 42.868 42.059 0.334 0.000 1.236 152 L HN 0.421 nan 8.230 nan 0.000 0.419 153 Y N 5.169 125.670 120.300 0.336 0.000 2.391 153 Y HA 0.640 5.193 4.550 0.005 0.000 0.341 153 Y C -0.464 175.717 175.900 0.469 0.000 0.965 153 Y CA -0.537 57.802 58.100 0.399 0.000 1.067 153 Y CB 1.943 40.605 38.460 0.337 0.000 1.199 153 Y HN 0.423 nan 8.280 nan 0.000 0.450 154 I N 4.342 125.274 120.570 0.603 0.000 2.436 154 I HA 0.242 4.415 4.170 0.005 0.000 0.289 154 I C -1.381 174.960 176.117 0.373 0.000 1.010 154 I CA -1.000 60.520 61.300 0.366 0.000 1.098 154 I CB 1.753 39.884 38.000 0.219 0.000 1.266 154 I HN 0.537 nan 8.210 nan 0.000 0.434 155 Y N 6.543 126.907 120.300 0.106 0.000 2.342 155 Y HA 0.491 5.044 4.550 0.005 0.000 0.338 155 Y C -1.056 174.744 175.900 -0.167 0.000 0.965 155 Y CA -0.559 57.598 58.100 0.095 0.000 1.159 155 Y CB 0.815 39.348 38.460 0.122 0.000 1.157 155 Y HN 0.357 nan 8.280 nan 0.000 0.486 156 F N 5.544 125.512 119.950 0.029 0.000 2.350 156 F HA 0.255 4.785 4.527 0.005 0.000 0.365 156 F C 0.375 176.213 175.800 0.063 0.000 1.122 156 F CA -0.670 57.411 58.000 0.134 0.000 1.139 156 F CB 0.239 39.362 39.000 0.204 0.000 1.220 156 F HN 0.449 nan 8.300 nan 0.000 0.499 157 H N 1.242 120.593 119.070 0.469 0.000 2.964 157 H HA -0.037 4.522 4.556 0.005 0.000 0.328 157 H C 0.590 176.122 175.328 0.340 0.000 1.030 157 H CA -0.129 56.152 56.048 0.389 0.000 1.445 157 H CB 1.142 31.080 29.762 0.294 0.000 1.449 157 H HN 0.513 nan 8.280 nan 0.000 0.581 158 S N 4.678 120.582 115.700 0.341 0.000 2.575 158 S HA -0.031 4.442 4.470 0.005 0.000 0.295 158 S C -1.173 173.582 174.600 0.257 0.000 1.267 158 S CA -1.208 57.156 58.200 0.272 0.000 1.074 158 S CB 0.483 63.793 63.200 0.184 0.000 0.829 158 S HN 0.523 nan 8.310 nan 0.000 0.497 159 P HA -0.047 nan 4.420 nan 0.000 0.226 159 P C 1.354 178.783 177.300 0.214 0.000 1.153 159 P CA 0.545 63.858 63.100 0.356 0.000 0.777 159 P CB 0.009 31.928 31.700 0.366 0.000 0.794 160 I N 0.254 120.907 120.570 0.138 0.000 2.206 160 I HA -0.085 4.088 4.170 0.005 0.000 0.239 160 I C 2.537 178.679 176.117 0.041 0.000 1.078 160 I CA 1.202 62.546 61.300 0.072 0.000 1.367 160 I CB -1.299 36.718 38.000 0.028 0.000 1.078 160 I HN -0.023 nan 8.210 nan 0.000 0.413 161 R N 0.712 121.246 120.500 0.057 0.000 2.115 161 R HA -0.180 4.163 4.340 0.005 0.000 0.230 161 R C 2.080 178.378 176.300 -0.003 0.000 1.111 161 R CA 0.872 56.997 56.100 0.041 0.000 0.976 161 R CB -0.587 29.757 30.300 0.073 0.000 0.870 161 R HN 0.393 nan 8.270 nan 0.000 0.445 162 Q N 0.901 120.679 119.800 -0.037 0.000 2.170 162 Q HA -0.107 4.236 4.340 0.005 0.000 0.203 162 Q C 1.525 177.393 176.000 -0.220 0.000 0.976 162 Q CA 2.217 57.894 55.803 -0.210 0.000 0.858 162 Q CB -0.030 28.416 28.738 -0.487 0.000 0.907 162 Q HN 0.443 nan 8.270 nan 0.000 0.433 163 T N -3.429 111.056 114.554 -0.116 0.000 3.023 163 T HA 0.213 4.566 4.350 0.005 0.000 0.253 163 T C 1.635 176.286 174.700 -0.080 0.000 1.038 163 T CA -0.091 61.954 62.100 -0.093 0.000 0.962 163 T CB -0.115 68.793 68.868 0.066 0.000 1.018 163 T HN 0.189 nan 8.240 nan 0.000 0.521 164 L N 1.570 122.771 121.223 -0.036 0.000 2.013 164 L HA -0.030 4.313 4.340 0.005 0.000 0.212 164 L C -0.205 176.669 176.870 0.007 0.000 1.073 164 L CA 1.723 56.567 54.840 0.006 0.000 0.753 164 L CB -1.410 40.659 42.059 0.016 0.000 0.890 164 L HN 0.275 nan 8.230 nan 0.000 0.432 165 P HA -0.187 nan 4.420 nan 0.000 0.219 165 P C 1.428 178.646 177.300 -0.136 0.000 1.150 165 P CA 1.251 64.310 63.100 -0.069 0.000 0.814 165 P CB 0.029 31.685 31.700 -0.073 0.000 0.787 166 Q N -1.102 118.567 119.800 -0.219 0.000 2.079 166 Q HA -0.199 4.144 4.340 0.005 0.000 0.200 166 Q C 2.266 177.930 176.000 -0.559 0.000 0.974 166 Q CA 1.146 56.710 55.803 -0.398 0.000 0.840 166 Q CB -0.544 27.886 28.738 -0.514 0.000 0.898 166 Q HN 0.136 nan 8.270 nan 0.000 0.430 167 Y N 0.170 120.115 120.300 -0.593 0.000 2.200 167 Y HA -0.157 4.396 4.550 0.005 0.000 0.290 167 Y C 1.976 177.767 175.900 -0.181 0.000 1.137 167 Y CA 1.514 59.393 58.100 -0.369 0.000 1.163 167 Y CB -0.474 37.915 38.460 -0.118 0.000 0.988 167 Y HN 0.191 nan 8.280 nan 0.000 0.518 168 A N -0.216 122.522 122.820 -0.137 0.000 1.933 168 A HA -0.206 4.117 4.320 0.005 0.000 0.218 168 A C 2.436 179.895 177.584 -0.208 0.000 1.175 168 A CA 2.144 54.083 52.037 -0.162 0.000 0.628 168 A CB -1.364 17.621 19.000 -0.025 0.000 0.814 168 A HN 0.603 nan 8.150 nan 0.000 0.444 169 S N -0.208 115.375 115.700 -0.195 0.000 2.481 169 S HA -0.135 4.338 4.470 0.005 0.000 0.231 169 S C 1.610 176.099 174.600 -0.185 0.000 0.996 169 S CA 1.338 59.442 58.200 -0.159 0.000 0.942 169 S CB -0.555 62.564 63.200 -0.135 0.000 0.768 169 S HN 0.574 nan 8.310 nan 0.000 0.520 170 N N 1.416 119.944 118.700 -0.288 0.000 2.300 170 N HA 0.121 4.864 4.740 0.005 0.000 0.179 170 N C 1.442 176.766 175.510 -0.311 0.000 1.016 170 N CA 1.312 54.173 53.050 -0.316 0.000 0.876 170 N CB -0.496 37.773 38.487 -0.363 0.000 0.979 170 N HN 0.615 nan 8.380 nan 0.000 0.432 171 G N -1.231 107.396 108.800 -0.288 0.000 2.184 171 G HA2 -0.249 3.714 3.960 0.005 0.000 0.264 171 G HA3 -0.249 3.714 3.960 0.005 0.000 0.264 171 G C 0.062 174.974 174.900 0.019 0.000 0.975 171 G CA 0.978 46.009 45.100 -0.115 0.000 0.642 171 G HN 0.581 nan 8.290 nan 0.000 0.536 172 F N -1.797 118.068 119.950 -0.143 0.000 2.713 172 F HA 0.768 5.298 4.527 0.005 0.000 0.311 172 F C -1.086 174.696 175.800 -0.031 0.000 1.141 172 F CA -1.978 55.986 58.000 -0.060 0.000 0.939 172 F CB 0.878 39.885 39.000 0.011 0.000 1.325 172 F HN 0.009 nan 8.300 nan 0.000 0.453 173 N N 1.083 120.013 118.700 0.382 0.000 2.424 173 N HA 0.320 5.063 4.740 0.005 0.000 0.271 173 N C -1.597 174.230 175.510 0.528 0.000 0.985 173 N CA -0.522 52.786 53.050 0.429 0.000 0.921 173 N CB 0.579 39.287 38.487 0.368 0.000 1.149 173 N HN 0.645 nan 8.380 nan 0.000 0.492 174 Y N 3.072 123.583 120.300 0.352 0.000 2.497 174 Y HA 0.159 4.712 4.550 0.005 0.000 0.334 174 Y C -1.231 174.835 175.900 0.278 0.000 1.199 174 Y CA -1.149 57.081 58.100 0.215 0.000 1.425 174 Y CB 0.753 39.154 38.460 -0.098 0.000 1.291 174 Y HN 0.484 nan 8.280 nan 0.000 0.562 175 P HA 0.132 nan 4.420 nan 0.000 0.220 175 P C -0.924 176.433 177.300 0.094 0.000 1.806 175 P CA 0.048 63.290 63.100 0.236 0.000 0.976 175 P CB -0.332 31.387 31.700 0.031 0.000 1.952 176 A N 1.776 124.525 122.820 -0.119 0.000 3.016 176 A HA 0.197 4.520 4.320 0.005 0.000 0.303 176 A C 1.168 178.361 177.584 -0.652 0.000 1.507 176 A CA -0.412 51.423 52.037 -0.337 0.000 1.196 176 A CB -0.322 18.474 19.000 -0.342 0.000 1.169 176 A HN 0.116 nan 8.150 nan 0.000 0.544 177 D N 0.871 121.066 120.400 -0.342 0.000 2.265 177 D HA -0.140 4.503 4.640 0.005 0.000 0.208 177 D C 0.984 177.106 176.300 -0.297 0.000 0.977 177 D CA 1.001 54.839 54.000 -0.270 0.000 0.871 177 D CB 0.162 40.887 40.800 -0.126 0.000 0.925 177 D HN 0.561 nan 8.370 nan 0.000 0.485 178 N N 1.047 119.435 118.700 -0.519 0.000 2.515 178 N HA -0.088 4.654 4.740 0.005 0.000 0.185 178 N C 0.245 175.397 175.510 -0.596 0.000 1.109 178 N CA 0.338 52.948 53.050 -0.734 0.000 0.903 178 N CB 0.230 37.679 38.487 -1.731 0.000 0.969 178 N HN 0.148 nan 8.380 nan 0.000 0.450 179 D N 0.861 121.040 120.400 -0.369 0.000 2.365 179 D HA 0.019 4.662 4.640 0.005 0.000 0.237 179 D C -0.459 175.904 176.300 0.105 0.000 1.190 179 D CA -0.161 53.756 54.000 -0.139 0.000 0.867 179 D CB -0.041 40.669 40.800 -0.150 0.000 1.050 179 D HN 0.241 nan 8.370 nan 0.000 0.491 180 H N 4.348 123.484 119.070 0.109 0.000 2.855 180 H HA 0.169 4.728 4.556 0.005 0.000 0.238 180 H C -0.039 175.407 175.328 0.196 0.000 1.847 180 H CA -0.284 55.824 56.048 0.099 0.000 1.368 180 H CB 0.106 29.881 29.762 0.022 0.000 1.758 180 H HN 0.330 nan 8.280 nan 0.000 0.546 181 H N 0.696 119.908 119.070 0.236 0.000 3.068 181 H HA -0.017 4.542 4.556 0.005 0.000 0.342 181 H C 0.448 175.823 175.328 0.079 0.000 1.284 181 H CA -0.468 55.663 56.048 0.139 0.000 1.181 181 H CB 1.644 31.489 29.762 0.138 0.000 1.898 181 H HN 0.518 nan 8.280 nan 0.000 0.540 182 E N 2.137 122.243 120.200 -0.156 0.000 2.118 182 E HA -0.086 4.267 4.350 0.005 0.000 0.195 182 E C -0.426 176.101 176.600 -0.122 0.000 0.992 182 E CA 0.965 57.301 56.400 -0.107 0.000 0.804 182 E CB 0.285 29.887 29.700 -0.165 0.000 0.741 182 E HN 0.348 nan 8.360 nan 0.000 0.458 183 K N 0.307 120.790 120.400 0.139 0.000 2.213 183 K HA 0.242 4.565 4.320 0.005 0.000 0.270 183 K C -1.160 175.372 176.600 -0.114 0.000 1.002 183 K CA -0.312 55.800 56.287 -0.292 0.000 0.868 183 K CB 1.199 33.331 32.500 -0.614 0.000 1.093 183 K HN 0.172 nan 8.250 nan 0.000 0.454 184 H N 3.698 122.774 119.070 0.010 0.000 2.882 184 H HA 0.102 4.661 4.556 0.005 0.000 0.258 184 H C 0.754 176.082 175.328 0.001 0.000 1.579 184 H CA -0.373 55.691 56.048 0.026 0.000 1.340 184 H CB 0.147 29.952 29.762 0.072 0.000 1.645 184 H HN 0.380 nan 8.280 nan 0.000 0.541 185 L N 0.958 122.226 121.223 0.076 0.000 2.395 185 L HA -0.105 4.238 4.340 0.005 0.000 0.218 185 L C 2.373 179.218 176.870 -0.041 0.000 1.130 185 L CA 0.445 55.389 54.840 0.173 0.000 0.826 185 L CB -0.188 41.948 42.059 0.129 0.000 0.941 185 L HN 0.567 nan 8.230 nan 0.000 0.451 186 S N 0.450 115.852 115.700 -0.497 0.000 2.387 186 S HA -0.194 4.279 4.470 0.005 0.000 0.230 186 S C 1.944 176.306 174.600 -0.397 0.000 1.035 186 S CA 1.409 59.020 58.200 -0.982 0.000 1.014 186 S CB -1.176 61.342 63.200 -1.137 0.000 0.836 186 S HN 0.379 nan 8.310 nan 0.000 0.466 187 V N -2.147 117.491 119.914 -0.461 0.000 2.913 187 V HA 0.097 4.219 4.120 0.005 0.000 0.260 187 V C 1.884 177.702 176.094 -0.459 0.000 1.098 187 V CA 1.090 63.036 62.300 -0.589 0.000 1.121 187 V CB -1.421 29.708 31.823 -1.157 0.000 0.714 187 V HN 0.361 nan 8.190 nan 0.000 0.487 188 F N 1.210 121.128 119.950 -0.053 0.000 2.615 188 F HA 0.320 4.850 4.527 0.005 0.000 0.297 188 F C 1.373 177.358 175.800 0.308 0.000 1.124 188 F CA 0.204 58.236 58.000 0.053 0.000 1.451 188 F CB -0.191 38.840 39.000 0.052 0.000 1.103 188 F HN 0.108 nan 8.300 nan 0.000 0.569 189 S N 0.656 116.615 115.700 0.431 0.000 2.482 189 S HA 0.443 4.916 4.470 0.005 0.000 0.303 189 S C -0.012 174.760 174.600 0.286 0.000 1.091 189 S CA -0.868 57.579 58.200 0.411 0.000 1.057 189 S CB 1.451 64.915 63.200 0.440 0.000 1.031 189 S HN -0.071 nan 8.310 nan 0.000 0.485 190 R N 2.953 123.544 120.500 0.151 0.000 2.893 190 R HA 0.318 4.661 4.340 0.005 0.000 0.243 190 R C -0.159 175.959 176.300 -0.303 0.000 1.481 190 R CA -0.005 56.120 56.100 0.042 0.000 1.250 190 R CB -0.882 29.438 30.300 0.034 0.000 1.213 190 R HN 0.553 nan 8.270 nan 0.000 0.609 191 K N -0.145 120.147 120.400 -0.180 0.000 2.527 191 K HA 0.468 4.791 4.320 0.005 0.000 0.260 191 K C -1.020 175.592 176.600 0.020 0.000 0.937 191 K CA -0.702 55.407 56.287 -0.296 0.000 0.826 191 K CB 2.145 34.641 32.500 -0.006 0.000 1.359 191 K HN 0.373 nan 8.250 nan 0.000 0.434 192 A N 4.818 127.639 122.820 0.002 0.000 2.553 192 A HA 0.116 4.439 4.320 0.005 0.000 0.258 192 A C -1.974 175.805 177.584 0.324 0.000 1.069 192 A CA -0.651 51.577 52.037 0.319 0.000 0.767 192 A CB -0.291 18.895 19.000 0.309 0.000 0.997 192 A HN 0.615 nan 8.150 nan 0.000 0.512 193 P HA -0.234 nan 4.420 nan 0.000 0.216 193 P C 1.285 178.830 177.300 0.409 0.000 1.153 193 P CA 2.035 65.316 63.100 0.302 0.000 0.858 193 P CB -0.149 31.655 31.700 0.173 0.000 0.789 194 Y N -0.500 119.895 120.300 0.158 0.000 2.403 194 Y HA -0.142 4.411 4.550 0.005 0.000 0.291 194 Y C 2.144 178.131 175.900 0.146 0.000 1.143 194 Y CA 1.043 59.259 58.100 0.195 0.000 1.257 194 Y CB -1.494 37.087 38.460 0.203 0.000 0.984 194 Y HN -0.033 nan 8.280 nan 0.000 0.550 195 S N -0.175 115.153 115.700 -0.621 0.000 2.419 195 S HA -0.280 4.193 4.470 0.005 0.000 0.235 195 S C 1.235 175.581 174.600 -0.422 0.000 1.019 195 S CA 1.201 58.995 58.200 -0.677 0.000 0.982 195 S CB -1.325 61.530 63.200 -0.575 0.000 0.789 195 S HN 0.692 nan 8.310 nan 0.000 0.490 196 Y N 2.602 122.780 120.300 -0.203 0.000 2.471 196 Y HA 0.433 4.985 4.550 0.005 0.000 0.286 196 Y C 1.480 177.242 175.900 -0.230 0.000 1.188 196 Y CA 0.156 58.169 58.100 -0.144 0.000 1.286 196 Y CB -0.234 38.188 38.460 -0.063 0.000 1.072 196 Y HN 0.608 nan 8.280 nan 0.000 0.517 197 G N -0.740 107.957 108.800 -0.171 0.000 2.539 197 G HA2 -0.086 3.877 3.960 0.005 0.000 0.686 197 G HA3 -0.086 3.877 3.960 0.005 0.000 0.686 197 G C -1.307 173.406 174.900 -0.312 0.000 1.258 197 G CA -0.869 43.974 45.100 -0.428 0.000 0.846 197 G HN 0.180 nan 8.290 nan 0.000 0.647 198 W N 0.209 121.153 121.300 -0.592 0.000 2.940 198 W HA 0.367 5.030 4.660 0.005 0.000 0.394 198 W C 0.132 176.410 176.519 -0.402 0.000 1.155 198 W CA 0.346 57.323 57.345 -0.613 0.000 1.165 198 W CB 1.324 30.154 29.460 -1.050 0.000 1.492 198 W HN 0.793 nan 8.180 nan 0.000 0.593 199 D N -0.617 119.527 120.400 -0.428 0.000 2.363 199 D HA -0.082 4.561 4.640 0.005 0.000 0.226 199 D C 0.912 177.384 176.300 0.287 0.000 1.020 199 D CA 0.654 54.641 54.000 -0.022 0.000 0.892 199 D CB -0.565 40.246 40.800 0.017 0.000 0.900 199 D HN 0.421 nan 8.370 nan 0.000 0.531 200 W N -1.263 120.366 121.300 0.548 0.000 2.284 200 W HA 0.600 5.263 4.660 0.005 0.000 0.334 200 W C -0.169 176.672 176.519 0.536 0.000 0.917 200 W CA -0.876 56.751 57.345 0.470 0.000 1.621 200 W CB 0.149 29.893 29.460 0.475 0.000 1.129 200 W HN -0.008 nan 8.180 nan 0.000 0.528 201 G N 1.707 110.733 108.800 0.377 0.000 2.563 201 G HA2 0.541 4.504 3.960 0.005 0.000 0.302 201 G HA3 0.541 4.504 3.960 0.005 0.000 0.302 201 G C -1.373 173.349 174.900 -0.298 0.000 1.301 201 G CA -0.966 44.252 45.100 0.196 0.000 0.965 201 G HN 0.105 nan 8.290 nan 0.000 0.480 202 I N 0.551 120.475 120.570 -1.077 0.000 2.575 202 I HA 0.318 4.491 4.170 0.005 0.000 0.285 202 I C 0.781 176.605 176.117 -0.488 0.000 1.085 202 I CA -0.776 59.920 61.300 -1.008 0.000 1.403 202 I CB 0.670 37.731 38.000 -1.566 0.000 1.409 202 I HN 0.457 nan 8.210 nan 0.000 0.557 203 R N 8.351 128.670 120.500 -0.301 0.000 2.242 203 R HA 0.360 4.703 4.340 0.005 0.000 0.334 203 R C -1.252 174.865 176.300 -0.305 0.000 1.071 203 R CA -0.059 55.895 56.100 -0.242 0.000 0.922 203 R CB 0.350 30.602 30.300 -0.081 0.000 1.023 203 R HN 0.679 nan 8.270 nan 0.000 0.458 204 M N 5.711 125.063 119.600 -0.414 0.000 1.956 204 M HA 0.173 4.656 4.480 0.005 0.000 0.256 204 M C -1.043 174.927 176.300 -0.550 0.000 0.869 204 M CA -0.660 54.310 55.300 -0.550 0.000 0.886 204 M CB 2.124 34.306 32.600 -0.698 0.000 1.739 204 M HN 0.234 nan 8.290 nan 0.000 0.381 205 V N 1.685 121.351 119.914 -0.413 0.000 2.341 205 V HA 0.103 4.226 4.120 0.005 0.000 0.248 205 V C 0.687 176.642 176.094 -0.232 0.000 1.107 205 V CA 0.350 62.382 62.300 -0.446 0.000 1.069 205 V CB 0.208 31.735 31.823 -0.493 0.000 1.177 205 V HN 0.727 nan 8.190 nan 0.000 0.492 206 T N 3.474 117.863 114.554 -0.275 0.000 2.884 206 T HA 0.657 5.009 4.350 0.005 0.000 0.277 206 T C 0.030 174.615 174.700 -0.193 0.000 0.976 206 T CA -0.216 61.803 62.100 -0.136 0.000 0.956 206 T CB 1.464 70.221 68.868 -0.186 0.000 1.113 206 T HN 0.626 nan 8.240 nan 0.000 0.554 207 S N -1.017 114.526 115.700 -0.261 0.000 2.607 207 S HA 0.879 5.352 4.470 0.005 0.000 0.273 207 S C -0.341 173.894 174.600 -0.608 0.000 1.148 207 S CA -0.141 57.843 58.200 -0.360 0.000 0.833 207 S CB 1.743 64.796 63.200 -0.246 0.000 1.130 207 S HN 1.325 nan 8.310 nan 0.000 0.470 208 G N -0.291 107.937 108.800 -0.954 0.000 2.368 208 G HA2 0.242 4.205 3.960 0.005 0.000 0.302 208 G HA3 0.242 4.205 3.960 0.005 0.000 0.302 208 G C -1.808 172.772 174.900 -0.535 0.000 1.329 208 G CA -0.734 43.687 45.100 -1.131 0.000 0.935 208 G HN 0.831 nan 8.290 nan 0.000 0.590 209 V N 2.497 122.142 119.914 -0.448 0.000 2.313 209 V HA 0.215 4.338 4.120 0.005 0.000 0.252 209 V C 1.424 177.487 176.094 -0.052 0.000 1.112 209 V CA 0.237 62.472 62.300 -0.108 0.000 0.984 209 V CB -0.124 31.545 31.823 -0.257 0.000 1.157 209 V HN 0.797 nan 8.190 nan 0.000 0.493 210 W N 5.422 126.656 121.300 -0.109 0.000 3.003 210 W HA 0.283 4.946 4.660 0.005 0.000 0.257 210 W C 0.357 176.874 176.519 -0.003 0.000 1.308 210 W CA -0.484 56.816 57.345 -0.074 0.000 1.529 210 W CB 0.183 29.613 29.460 -0.050 0.000 1.115 210 W HN 0.352 nan 8.180 nan 0.000 0.659 211 R N 0.003 120.257 120.500 -0.410 0.000 2.869 211 R HA 0.432 4.775 4.340 0.005 0.000 0.263 211 R C -2.568 173.621 176.300 -0.185 0.000 1.066 211 R CA -2.073 53.789 56.100 -0.396 0.000 0.960 211 R CB 1.182 31.092 30.300 -0.650 0.000 1.221 211 R HN -0.395 nan 8.270 nan 0.000 0.474 212 P HA 0.075 nan 4.420 nan 0.000 0.272 212 P C -0.995 176.265 177.300 -0.065 0.000 1.230 212 P CA -0.246 62.808 63.100 -0.077 0.000 0.788 212 P CB 0.576 32.239 31.700 -0.061 0.000 0.949 213 V N 1.213 121.090 119.914 -0.063 0.000 2.448 213 V HA 0.580 4.703 4.120 0.005 0.000 0.295 213 V C 0.287 176.292 176.094 -0.149 0.000 1.025 213 V CA -0.241 61.960 62.300 -0.165 0.000 0.859 213 V CB 1.527 33.302 31.823 -0.080 0.000 0.988 213 V HN 0.593 nan 8.190 nan 0.000 0.431 214 T N 4.568 118.994 114.554 -0.213 0.000 2.906 214 T HA 0.764 5.117 4.350 0.005 0.000 0.295 214 T C -1.781 172.777 174.700 -0.236 0.000 1.075 214 T CA -0.516 61.484 62.100 -0.167 0.000 1.005 214 T CB 1.615 70.420 68.868 -0.105 0.000 1.136 214 T HN 0.407 nan 8.240 nan 0.000 0.498 215 L N 3.233 124.323 121.223 -0.222 0.000 2.376 215 L HA 0.647 4.990 4.340 0.005 0.000 0.275 215 L C -0.380 176.312 176.870 -0.296 0.000 0.987 215 L CA -0.481 54.162 54.840 -0.328 0.000 0.828 215 L CB 1.476 43.279 42.059 -0.427 0.000 1.249 215 L HN 0.723 nan 8.230 nan 0.000 0.409 216 R N 4.451 124.772 120.500 -0.298 0.000 2.343 216 R HA 0.536 4.879 4.340 0.005 0.000 0.320 216 R C -1.621 174.586 176.300 -0.154 0.000 0.956 216 R CA -0.452 55.576 56.100 -0.120 0.000 0.836 216 R CB 0.715 31.003 30.300 -0.019 0.000 1.151 216 R HN 0.471 nan 8.270 nan 0.000 0.450 217 F N 5.973 126.008 119.950 0.140 0.000 2.415 217 F HA 0.391 4.921 4.527 0.005 0.000 0.348 217 F C -0.233 175.668 175.800 0.168 0.000 1.119 217 F CA -0.492 57.567 58.000 0.099 0.000 1.069 217 F CB 0.955 39.977 39.000 0.038 0.000 1.124 217 F HN 0.481 nan 8.300 nan 0.000 0.472 218 Y N -0.623 119.758 120.300 0.135 0.000 2.670 218 Y HA 0.652 5.205 4.550 0.005 0.000 0.334 218 Y C -1.801 174.134 175.900 0.059 0.000 1.185 218 Y CA -1.597 56.550 58.100 0.078 0.000 1.053 218 Y CB 1.218 39.699 38.460 0.035 0.000 1.298 218 Y HN 0.338 nan 8.280 nan 0.000 0.459 219 D N 2.146 122.672 120.400 0.210 0.000 2.342 219 D HA 0.464 5.107 4.640 0.005 0.000 0.243 219 D C 0.652 177.076 176.300 0.206 0.000 1.019 219 D CA -0.068 53.986 54.000 0.090 0.000 0.864 219 D CB 2.094 42.934 40.800 0.067 0.000 1.315 219 D HN 0.763 nan 8.370 nan 0.000 0.468 220 I N -0.677 119.965 120.570 0.119 0.000 4.713 220 I HA -0.362 3.810 4.170 0.005 0.000 0.044 220 I C 0.459 176.699 176.117 0.205 0.000 0.627 220 I CA 1.585 62.959 61.300 0.123 0.000 0.714 220 I CB -1.910 36.139 38.000 0.082 0.000 0.668 220 I HN 0.642 nan 8.210 nan 0.000 0.156 221 A N 0.317 123.299 122.820 0.270 0.000 2.608 221 A HA 0.740 5.063 4.320 0.005 0.000 0.292 221 A C -0.165 177.364 177.584 -0.092 0.000 1.066 221 A CA 0.386 52.509 52.037 0.143 0.000 0.676 221 A CB 1.541 20.566 19.000 0.042 0.000 1.277 221 A HN 0.662 nan 8.150 nan 0.000 0.413 222 T N -1.043 113.351 114.554 -0.267 0.000 2.932 222 T HA 0.721 5.074 4.350 0.005 0.000 0.289 222 T C -0.309 174.281 174.700 -0.184 0.000 1.039 222 T CA -0.533 61.346 62.100 -0.368 0.000 1.024 222 T CB 0.972 69.510 68.868 -0.551 0.000 1.090 222 T HN 0.540 nan 8.240 nan 0.000 0.496 223 I N 3.250 123.729 120.570 -0.152 0.000 2.347 223 I HA 0.120 4.293 4.170 0.005 0.000 0.294 223 I C 1.553 177.628 176.117 -0.071 0.000 1.090 223 I CA -0.453 60.789 61.300 -0.096 0.000 1.314 223 I CB 1.055 39.000 38.000 -0.091 0.000 1.423 223 I HN 0.955 nan 8.210 nan 0.000 0.503 224 S N 2.913 118.580 115.700 -0.054 0.000 2.470 224 S HA 0.017 4.490 4.470 0.005 0.000 0.225 224 S C 0.265 174.871 174.600 0.010 0.000 1.006 224 S CA 0.086 58.267 58.200 -0.030 0.000 0.934 224 S CB -0.014 63.169 63.200 -0.029 0.000 0.778 224 S HN 0.739 nan 8.310 nan 0.000 0.517 225 D N -1.109 119.318 120.400 0.045 0.000 2.717 225 D HA 0.452 5.095 4.640 0.005 0.000 0.223 225 D C -2.208 174.224 176.300 0.219 0.000 1.240 225 D CA -0.555 53.509 54.000 0.106 0.000 0.801 225 D CB 1.344 42.194 40.800 0.082 0.000 1.556 225 D HN 0.079 nan 8.370 nan 0.000 0.462 226 Y N 3.627 124.007 120.300 0.134 0.000 2.331 226 Y HA 0.517 5.070 4.550 0.005 0.000 0.326 226 Y C -2.338 173.735 175.900 0.288 0.000 1.020 226 Y CA -1.219 56.992 58.100 0.185 0.000 1.136 226 Y CB 0.746 39.281 38.460 0.125 0.000 1.157 226 Y HN 0.400 nan 8.280 nan 0.000 0.444 227 Y N 6.387 126.749 120.300 0.103 0.000 2.328 227 Y HA 0.629 5.182 4.550 0.005 0.000 0.336 227 Y C -1.484 174.288 175.900 -0.213 0.000 0.960 227 Y CA -1.846 56.169 58.100 -0.142 0.000 1.134 227 Y CB 1.370 39.807 38.460 -0.039 0.000 1.166 227 Y HN 0.350 nan 8.280 nan 0.000 0.464 228 V N 8.223 127.871 119.914 -0.445 0.000 2.322 228 V HA 0.352 4.475 4.120 0.005 0.000 0.258 228 V C 0.259 175.939 176.094 -0.690 0.000 1.074 228 V CA -0.553 61.409 62.300 -0.562 0.000 0.909 228 V CB 0.174 31.543 31.823 -0.757 0.000 1.090 228 V HN 0.670 nan 8.190 nan 0.000 0.486 229 R N 4.133 124.157 120.500 -0.795 0.000 2.221 229 R HA 0.289 4.632 4.340 0.005 0.000 0.327 229 R C 0.024 176.101 176.300 -0.372 0.000 1.033 229 R CA -0.414 55.208 56.100 -0.796 0.000 0.887 229 R CB 0.790 30.585 30.300 -0.842 0.000 1.057 229 R HN 0.759 nan 8.270 nan 0.000 0.455 230 Q N 4.826 124.466 119.800 -0.266 0.000 2.295 230 Q HA 0.096 4.439 4.340 0.005 0.000 0.259 230 Q C 0.312 176.246 176.000 -0.109 0.000 0.976 230 Q CA -0.169 55.537 55.803 -0.162 0.000 0.923 230 Q CB 1.059 29.719 28.738 -0.129 0.000 1.185 230 Q HN 0.775 nan 8.270 nan 0.000 0.410 231 L N 2.149 123.321 121.223 -0.085 0.000 2.253 231 L HA 0.147 4.490 4.340 0.005 0.000 0.205 231 L C 0.603 177.452 176.870 -0.035 0.000 1.078 231 L CA 0.298 55.103 54.840 -0.057 0.000 0.805 231 L CB 0.128 42.157 42.059 -0.050 0.000 0.963 231 L HN 0.668 nan 8.230 nan 0.000 0.459 232 S N -0.803 114.880 115.700 -0.030 0.000 2.565 232 S HA 0.648 5.121 4.470 0.005 0.000 0.269 232 S C -1.336 173.258 174.600 -0.010 0.000 1.153 232 S CA -0.800 57.392 58.200 -0.015 0.000 0.835 232 S CB 2.551 65.746 63.200 -0.009 0.000 1.122 232 S HN -0.016 nan 8.310 nan 0.000 0.462 233 L N 1.658 122.884 121.223 0.004 0.000 2.516 233 L HA 0.812 5.155 4.340 0.005 0.000 0.267 233 L C -0.442 176.443 176.870 0.025 0.000 0.957 233 L CA 0.389 55.238 54.840 0.015 0.000 0.860 233 L CB 1.836 43.910 42.059 0.025 0.000 1.265 233 L HN 1.262 nan 8.230 nan 0.000 0.403 234 T N -0.844 113.726 114.554 0.026 0.000 2.831 234 T HA 0.453 4.806 4.350 0.005 0.000 0.287 234 T C 0.314 175.036 174.700 0.036 0.000 1.070 234 T CA -0.495 61.623 62.100 0.029 0.000 1.010 234 T CB 1.190 70.071 68.868 0.022 0.000 1.264 234 T HN 0.452 nan 8.240 nan 0.000 0.532 235 D N 0.281 120.702 120.400 0.035 0.000 2.221 235 D HA -0.034 4.609 4.640 0.005 0.000 0.204 235 D C 1.558 177.880 176.300 0.037 0.000 0.982 235 D CA 1.238 55.261 54.000 0.039 0.000 0.857 235 D CB 0.016 40.835 40.800 0.031 0.000 0.934 235 D HN 0.671 nan 8.370 nan 0.000 0.475 236 E N -0.535 119.682 120.200 0.029 0.000 2.276 236 E HA 0.097 4.450 4.350 0.005 0.000 0.193 236 E C 0.158 176.772 176.600 0.024 0.000 0.983 236 E CA 0.266 56.681 56.400 0.025 0.000 0.861 236 E CB 0.356 30.067 29.700 0.019 0.000 0.817 236 E HN -0.001 nan 8.360 nan 0.000 0.485 237 N N -0.729 117.984 118.700 0.021 0.000 2.452 237 N HA 0.461 5.204 4.740 0.005 0.000 0.277 237 N C -1.977 173.539 175.510 0.009 0.000 1.078 237 N CA -0.329 52.729 53.050 0.014 0.000 0.947 237 N CB 1.615 40.107 38.487 0.008 0.000 1.655 237 N HN -0.008 nan 8.380 nan 0.000 0.490 238 A N 2.805 125.624 122.820 -0.001 0.000 2.288 238 A HA 0.734 5.057 4.320 0.005 0.000 0.320 238 A C -0.381 177.195 177.584 -0.013 0.000 1.217 238 A CA -0.516 51.514 52.037 -0.012 0.000 0.840 238 A CB 0.458 19.438 19.000 -0.034 0.000 1.179 238 A HN 0.632 nan 8.150 nan 0.000 0.504 239 R N 2.146 122.637 120.500 -0.015 0.000 2.393 239 R HA 0.635 4.978 4.340 0.005 0.000 0.310 239 R C -1.141 175.143 176.300 -0.027 0.000 0.968 239 R CA -0.626 55.465 56.100 -0.014 0.000 0.867 239 R CB 1.323 31.614 30.300 -0.014 0.000 1.124 239 R HN 0.478 nan 8.270 nan 0.000 0.450 240 L N 0.843 122.060 121.223 -0.010 0.000 2.354 240 L HA 0.484 4.827 4.340 0.005 0.000 0.264 240 L C -0.110 176.746 176.870 -0.024 0.000 1.008 240 L CA -0.531 54.291 54.840 -0.030 0.000 0.819 240 L CB 1.917 44.003 42.059 0.045 0.000 1.339 240 L HN 0.551 nan 8.230 nan 0.000 0.420 241 S N 1.988 117.640 115.700 -0.081 0.000 2.640 241 S HA 0.472 4.945 4.470 0.005 0.000 0.320 241 S C -0.615 173.952 174.600 -0.055 0.000 1.097 241 S CA -0.687 57.478 58.200 -0.059 0.000 1.092 241 S CB 0.226 63.371 63.200 -0.092 0.000 0.988 241 S HN 0.569 nan 8.310 nan 0.000 0.470 242 N N 4.564 123.306 118.700 0.070 0.000 2.406 242 N HA 0.155 4.898 4.740 0.005 0.000 0.251 242 N C -0.811 174.806 175.510 0.178 0.000 1.069 242 N CA -0.015 53.160 53.050 0.209 0.000 0.947 242 N CB 0.979 39.661 38.487 0.324 0.000 1.111 242 N HN 0.685 nan 8.380 nan 0.000 0.497 243 E N 2.715 123.036 120.200 0.202 0.000 2.114 243 E HA 0.355 4.708 4.350 0.005 0.000 0.266 243 E C -0.469 176.299 176.600 0.280 0.000 0.896 243 E CA -0.414 56.104 56.400 0.197 0.000 0.750 243 E CB 1.559 31.364 29.700 0.175 0.000 1.121 243 E HN 0.307 nan 8.360 nan 0.000 0.413 244 L N 4.044 125.375 121.223 0.180 0.000 2.325 244 L HA 0.566 4.909 4.340 0.005 0.000 0.278 244 L C -0.319 176.593 176.870 0.069 0.000 1.023 244 L CA -0.789 54.123 54.840 0.121 0.000 0.811 244 L CB 1.413 43.471 42.059 -0.002 0.000 1.249 244 L HN 0.424 nan 8.230 nan 0.000 0.431 245 I N 2.977 123.565 120.570 0.031 0.000 2.389 245 I HA 0.393 4.566 4.170 0.005 0.000 0.288 245 I C -0.798 175.265 176.117 -0.090 0.000 0.999 245 I CA -0.698 60.548 61.300 -0.091 0.000 1.129 245 I CB 2.030 39.992 38.000 -0.063 0.000 1.288 245 I HN 0.185 nan 8.210 nan 0.000 0.444 246 V N 5.314 125.153 119.914 -0.126 0.000 2.448 246 V HA 0.324 4.447 4.120 0.005 0.000 0.295 246 V C -0.269 175.777 176.094 -0.081 0.000 1.025 246 V CA -0.711 61.535 62.300 -0.089 0.000 0.859 246 V CB 1.859 33.640 31.823 -0.070 0.000 0.988 246 V HN 0.661 nan 8.190 nan 0.000 0.431 247 N N 4.058 122.721 118.700 -0.061 0.000 2.485 247 N HA 0.188 4.931 4.740 0.005 0.000 0.243 247 N C -0.456 175.064 175.510 0.017 0.000 0.987 247 N CA -0.237 52.797 53.050 -0.027 0.000 0.940 247 N CB 1.094 39.571 38.487 -0.017 0.000 1.122 247 N HN 0.669 nan 8.380 nan 0.000 0.509 248 Q N 4.020 123.837 119.800 0.028 0.000 2.274 248 Q HA 0.239 4.582 4.340 0.005 0.000 0.256 248 Q C -0.101 175.945 176.000 0.077 0.000 0.927 248 Q CA -0.224 55.614 55.803 0.059 0.000 0.939 248 Q CB 1.308 30.065 28.738 0.032 0.000 1.201 248 Q HN 0.763 nan 8.270 nan 0.000 0.426 249 I N 4.275 124.914 120.570 0.115 0.000 3.956 249 I HA 0.020 4.193 4.170 0.005 0.000 0.333 249 I C 0.119 176.259 176.117 0.038 0.000 1.302 249 I CA 0.112 61.467 61.300 0.091 0.000 1.122 249 I CB 0.873 38.955 38.000 0.135 0.000 1.013 249 I HN 0.439 nan 8.210 nan 0.000 0.405 250 V N -2.474 117.461 119.914 0.034 0.000 2.834 250 V HA 0.561 4.684 4.120 0.005 0.000 0.313 250 V C -1.999 174.105 176.094 0.017 0.000 1.060 250 V CA -1.449 60.860 62.300 0.015 0.000 0.989 250 V CB 0.694 32.525 31.823 0.012 0.000 1.041 250 V HN -0.075 nan 8.190 nan 0.000 0.459 251 P HA 0.134 nan 4.420 nan 0.000 0.236 251 P C -0.068 177.239 177.300 0.012 0.000 1.177 251 P CA 0.607 63.714 63.100 0.012 0.000 0.773 251 P CB 0.145 31.850 31.700 0.009 0.000 0.878 252 Q N -0.034 119.773 119.800 0.012 0.000 2.205 252 Q HA 0.349 4.692 4.340 0.005 0.000 0.249 252 Q C -0.114 175.894 176.000 0.013 0.000 0.948 252 Q CA -0.444 55.366 55.803 0.011 0.000 0.895 252 Q CB 0.753 29.497 28.738 0.009 0.000 1.249 252 Q HN -0.053 nan 8.270 nan 0.000 0.458 253 K N 1.220 121.627 120.400 0.011 0.000 2.339 253 K HA 0.327 4.650 4.320 0.005 0.000 0.286 253 K C -0.645 175.962 176.600 0.011 0.000 1.050 253 K CA -0.080 56.214 56.287 0.011 0.000 0.956 253 K CB 0.598 33.104 32.500 0.010 0.000 0.990 253 K HN 0.377 nan 8.250 nan 0.000 0.475 254 I N 5.336 125.913 120.570 0.012 0.000 2.411 254 I HA 0.253 4.426 4.170 0.005 0.000 0.284 254 I C -2.402 173.720 176.117 0.008 0.000 1.012 254 I CA -3.041 58.266 61.300 0.011 0.000 1.119 254 I CB 1.244 39.254 38.000 0.015 0.000 1.261 254 I HN 0.279 nan 8.210 nan 0.000 0.448 255 P HA 0.284 nan 4.420 nan 0.000 0.268 255 P C -0.573 176.728 177.300 0.003 0.000 1.205 255 P CA 0.096 63.198 63.100 0.004 0.000 0.771 255 P CB 0.981 32.683 31.700 0.003 0.000 0.858 256 A N 1.983 124.803 122.820 -0.000 0.000 2.594 256 A HA 0.593 4.916 4.320 0.005 0.000 0.291 256 A C -1.291 176.288 177.584 -0.008 0.000 1.105 256 A CA -0.548 51.487 52.037 -0.004 0.000 0.694 256 A CB 1.365 20.362 19.000 -0.005 0.000 1.291 256 A HN 0.475 nan 8.150 nan 0.000 0.410 257 E N 0.796 120.989 120.200 -0.012 0.000 2.176 257 E HA 0.561 4.914 4.350 0.005 0.000 0.267 257 E C -1.412 175.173 176.600 -0.025 0.000 0.893 257 E CA -0.550 55.840 56.400 -0.016 0.000 0.761 257 E CB 1.605 31.297 29.700 -0.014 0.000 1.133 257 E HN 0.446 nan 8.360 nan 0.000 0.409 258 V N 5.171 125.068 119.914 -0.029 0.000 2.461 258 V HA 0.379 4.502 4.120 0.005 0.000 0.275 258 V C 0.069 176.135 176.094 -0.046 0.000 1.047 258 V CA -0.231 62.042 62.300 -0.046 0.000 0.955 258 V CB 0.921 32.715 31.823 -0.048 0.000 0.988 258 V HN 0.662 nan 8.190 nan 0.000 0.471 259 R N 3.341 123.805 120.500 -0.062 0.000 2.621 259 R HA 0.782 5.125 4.340 0.005 0.000 0.292 259 R C -1.578 174.679 176.300 -0.071 0.000 0.969 259 R CA -0.743 55.325 56.100 -0.054 0.000 0.887 259 R CB 2.454 32.727 30.300 -0.044 0.000 1.180 259 R HN 0.475 nan 8.270 nan 0.000 0.450 260 V N 2.731 122.615 119.914 -0.050 0.000 2.444 260 V HA 0.316 4.439 4.120 0.005 0.000 0.294 260 V C -0.564 175.500 176.094 -0.050 0.000 1.022 260 V CA -0.878 61.401 62.300 -0.036 0.000 0.850 260 V CB 1.678 33.517 31.823 0.026 0.000 0.992 260 V HN 0.704 nan 8.190 nan 0.000 0.426 261 N N 3.998 122.664 118.700 -0.056 0.000 2.392 261 N HA 0.486 5.228 4.740 0.005 0.000 0.283 261 N C -1.362 174.048 175.510 -0.167 0.000 1.003 261 N CA -0.224 52.775 53.050 -0.085 0.000 0.892 261 N CB 2.211 40.668 38.487 -0.050 0.000 1.193 261 N HN 0.376 nan 8.380 nan 0.000 0.487 262 V N 2.330 122.090 119.914 -0.257 0.000 2.370 262 V HA 0.449 4.572 4.120 0.005 0.000 0.283 262 V C -0.022 175.989 176.094 -0.138 0.000 1.023 262 V CA -0.447 61.601 62.300 -0.420 0.000 0.857 262 V CB 1.179 32.606 31.823 -0.660 0.000 0.985 262 V HN 0.664 nan 8.190 nan 0.000 0.443 263 S N 4.326 120.006 115.700 -0.034 0.000 2.599 263 S HA 0.839 5.312 4.470 0.005 0.000 0.287 263 S C -1.328 173.302 174.600 0.050 0.000 1.105 263 S CA -0.540 57.674 58.200 0.024 0.000 0.899 263 S CB 2.082 65.286 63.200 0.007 0.000 1.100 263 S HN 0.514 nan 8.310 nan 0.000 0.482 264 L N 3.025 124.235 121.223 -0.022 0.000 2.439 264 L HA 0.579 4.921 4.340 0.005 0.000 0.270 264 L C -0.033 176.790 176.870 -0.077 0.000 0.972 264 L CA 0.071 54.831 54.840 -0.132 0.000 0.836 264 L CB 0.988 42.881 42.059 -0.276 0.000 1.255 264 L HN 0.771 nan 8.230 nan 0.000 0.404 265 N N 3.845 122.508 118.700 -0.062 0.000 2.708 265 N HA -0.190 4.553 4.740 0.005 0.000 0.249 265 N C 0.856 176.355 175.510 -0.019 0.000 1.097 265 N CA 1.961 54.990 53.050 -0.035 0.000 0.710 265 N CB -0.915 37.546 38.487 -0.044 0.000 1.032 265 N HN 1.398 nan 8.380 nan 0.000 0.551 266 G N -3.510 105.283 108.800 -0.011 0.000 2.176 266 G HA2 -0.236 3.727 3.960 0.005 0.000 0.232 266 G HA3 -0.236 3.727 3.960 0.005 0.000 0.232 266 G C 0.142 175.038 174.900 -0.005 0.000 0.986 266 G CA 0.409 45.507 45.100 -0.004 0.000 0.643 266 G HN 0.665 nan 8.290 nan 0.000 0.522 267 T N 1.970 116.518 114.554 -0.009 0.000 2.779 267 T HA 0.561 4.914 4.350 0.005 0.000 0.280 267 T C 0.368 175.066 174.700 -0.003 0.000 0.987 267 T CA 0.146 62.243 62.100 -0.006 0.000 0.966 267 T CB 1.608 70.472 68.868 -0.007 0.000 0.933 267 T HN 0.206 nan 8.240 nan 0.000 0.442 268 T N 2.924 117.476 114.554 -0.005 0.000 2.902 268 T HA 0.125 4.478 4.350 0.005 0.000 0.301 268 T C 1.332 176.033 174.700 0.000 0.000 1.012 268 T CA -0.217 61.877 62.100 -0.010 0.000 1.151 268 T CB 0.703 69.561 68.868 -0.016 0.000 0.946 268 T HN 0.354 nan 8.240 nan 0.000 0.542 269 V N 2.177 122.093 119.914 0.003 0.000 2.908 269 V HA 0.241 4.364 4.120 0.005 0.000 0.240 269 V C 1.138 177.226 176.094 -0.010 0.000 1.117 269 V CA 0.770 63.085 62.300 0.026 0.000 1.133 269 V CB 0.877 32.764 31.823 0.108 0.000 0.857 269 V HN 0.958 nan 8.190 nan 0.000 0.478 270 T N -0.744 113.779 114.554 -0.052 0.000 2.840 270 T HA 0.541 4.894 4.350 0.005 0.000 0.317 270 T C -2.008 172.645 174.700 -0.078 0.000 1.401 270 T CA -0.459 61.605 62.100 -0.059 0.000 1.028 270 T CB 2.354 71.187 68.868 -0.058 0.000 1.317 270 T HN 0.303 nan 8.240 nan 0.000 0.495 271 E N 1.228 121.395 120.200 -0.055 0.000 2.321 271 E HA 0.620 4.973 4.350 0.005 0.000 0.278 271 E C -1.395 175.183 176.600 -0.036 0.000 0.902 271 E CA -0.841 55.529 56.400 -0.051 0.000 0.758 271 E CB 1.974 31.651 29.700 -0.039 0.000 1.213 271 E HN 0.706 nan 8.360 nan 0.000 0.426 272 V N 0.605 120.500 119.914 -0.032 0.000 3.078 272 V HA 0.815 4.938 4.120 0.005 0.000 0.311 272 V C -1.150 174.932 176.094 -0.019 0.000 1.138 272 V CA -0.833 61.456 62.300 -0.019 0.000 1.007 272 V CB 1.806 33.623 31.823 -0.010 0.000 1.045 272 V HN 0.773 nan 8.190 nan 0.000 0.432 273 K N 1.582 121.974 120.400 -0.015 0.000 2.533 273 K HA 0.770 5.093 4.320 0.005 0.000 0.272 273 K C -1.559 175.035 176.600 -0.011 0.000 0.985 273 K CA -0.866 55.411 56.287 -0.016 0.000 0.876 273 K CB 2.754 35.244 32.500 -0.017 0.000 1.452 273 K HN 0.829 nan 8.250 nan 0.000 0.439 274 Q N 1.313 121.106 119.800 -0.012 0.000 2.313 274 Q HA 0.124 4.467 4.340 0.005 0.000 0.260 274 Q C -1.389 174.606 176.000 -0.008 0.000 0.972 274 Q CA -0.683 55.115 55.803 -0.007 0.000 0.886 274 Q CB 2.203 30.938 28.738 -0.004 0.000 1.373 274 Q HN 0.582 nan 8.270 nan 0.000 0.416 275 Q N 1.742 121.539 119.800 -0.005 0.000 2.293 275 Q HA 0.482 4.825 4.340 0.005 0.000 0.251 275 Q C 0.008 176.007 176.000 -0.001 0.000 0.930 275 Q CA -0.155 55.645 55.803 -0.004 0.000 0.893 275 Q CB 1.591 30.328 28.738 -0.002 0.000 1.215 275 Q HN 0.524 nan 8.270 nan 0.000 0.425 276 V N -1.596 118.317 119.914 -0.001 0.000 3.206 276 V HA 0.729 4.852 4.120 0.005 0.000 0.305 276 V C -0.606 175.489 176.094 0.003 0.000 1.257 276 V CA -0.903 61.398 62.300 0.002 0.000 1.057 276 V CB 2.287 34.111 31.823 0.002 0.000 1.075 276 V HN 0.661 nan 8.190 nan 0.000 0.443 277 T N 3.294 117.851 114.554 0.006 0.000 2.791 277 T HA 0.603 4.956 4.350 0.005 0.000 0.288 277 T C -0.303 174.402 174.700 0.008 0.000 0.999 277 T CA -0.259 61.844 62.100 0.006 0.000 0.952 277 T CB 0.794 69.666 68.868 0.007 0.000 0.938 277 T HN 0.665 nan 8.240 nan 0.000 0.444 278 L N 3.932 125.159 121.223 0.007 0.000 2.360 278 L HA 0.271 4.614 4.340 0.005 0.000 0.276 278 L C 0.669 177.545 176.870 0.011 0.000 1.121 278 L CA -0.648 54.196 54.840 0.007 0.000 0.845 278 L CB 0.437 42.500 42.059 0.006 0.000 1.143 278 L HN 0.393 nan 8.230 nan 0.000 0.452 279 Q N 3.861 123.668 119.800 0.012 0.000 2.227 279 Q HA 0.394 4.737 4.340 0.005 0.000 0.245 279 Q C -2.240 173.770 176.000 0.016 0.000 0.926 279 Q CA -2.286 53.526 55.803 0.015 0.000 0.895 279 Q CB 0.871 29.620 28.738 0.018 0.000 1.230 279 Q HN 0.280 nan 8.270 nan 0.000 0.450 280 P HA 0.024 nan 4.420 nan 0.000 0.264 280 P C 0.377 177.690 177.300 0.021 0.000 1.179 280 P CA 1.375 64.489 63.100 0.022 0.000 0.763 280 P CB 0.315 32.028 31.700 0.021 0.000 0.806 281 G N 2.735 111.549 108.800 0.024 0.000 2.527 281 G HA2 -0.192 3.771 3.960 0.005 0.000 0.227 281 G HA3 -0.192 3.771 3.960 0.005 0.000 0.227 281 G C -0.761 174.139 174.900 -0.000 0.000 1.291 281 G CA -0.793 44.319 45.100 0.019 0.000 0.904 281 G HN 0.483 nan 8.290 nan 0.000 0.577 282 I N 2.354 122.918 120.570 -0.011 0.000 2.529 282 I HA 0.298 4.471 4.170 0.005 0.000 0.284 282 I C 0.483 176.543 176.117 -0.096 0.000 1.082 282 I CA -0.282 60.974 61.300 -0.073 0.000 1.406 282 I CB 0.560 38.517 38.000 -0.073 0.000 1.405 282 I HN 0.471 nan 8.210 nan 0.000 0.548 283 N N 5.479 124.076 118.700 -0.172 0.000 2.258 283 N HA 0.347 5.090 4.740 0.005 0.000 0.299 283 N C -0.821 174.532 175.510 -0.262 0.000 1.047 283 N CA -0.595 52.381 53.050 -0.124 0.000 0.814 283 N CB 2.076 40.532 38.487 -0.051 0.000 1.413 283 N HN 0.506 nan 8.380 nan 0.000 0.478 284 H N 2.019 121.101 119.070 0.021 0.000 2.476 284 H HA 0.472 5.031 4.556 0.005 0.000 0.328 284 H C -0.437 174.903 175.328 0.021 0.000 1.073 284 H CA -0.211 55.853 56.048 0.027 0.000 1.229 284 H CB 1.831 31.609 29.762 0.027 0.000 1.432 284 H HN 0.401 nan 8.280 nan 0.000 0.477 285 I N 2.214 122.852 120.570 0.112 0.000 2.533 285 I HA 0.152 4.325 4.170 0.005 0.000 0.290 285 I C -0.171 175.991 176.117 0.075 0.000 1.056 285 I CA -0.232 61.108 61.300 0.066 0.000 1.057 285 I CB 2.255 40.267 38.000 0.020 0.000 1.240 285 I HN 0.413 nan 8.210 nan 0.000 0.423 286 T N 6.978 121.567 114.554 0.059 0.000 2.809 286 T HA 0.655 5.008 4.350 0.005 0.000 0.284 286 T C -0.735 173.987 174.700 0.037 0.000 0.992 286 T CA -0.413 61.718 62.100 0.053 0.000 0.957 286 T CB 0.966 69.859 68.868 0.041 0.000 0.942 286 T HN 0.101 nan 8.240 nan 0.000 0.439 287 L N 5.893 127.143 121.223 0.045 0.000 2.343 287 L HA 0.473 4.816 4.340 0.005 0.000 0.278 287 L C -2.434 174.462 176.870 0.042 0.000 0.996 287 L CA -2.045 52.816 54.840 0.035 0.000 0.831 287 L CB 1.369 43.447 42.059 0.031 0.000 1.232 287 L HN 0.340 nan 8.230 nan 0.000 0.413 288 P HA 0.464 nan 4.420 nan 0.000 0.271 288 P C -1.040 176.278 177.300 0.029 0.000 1.218 288 P CA -0.310 62.803 63.100 0.022 0.000 0.780 288 P CB 1.157 32.862 31.700 0.008 0.000 0.901 289 A N 1.772 124.615 122.820 0.038 0.000 2.572 289 A HA 0.620 4.943 4.320 0.005 0.000 0.295 289 A C -1.263 176.334 177.584 0.021 0.000 1.072 289 A CA -0.565 51.490 52.037 0.029 0.000 0.691 289 A CB 1.470 20.498 19.000 0.046 0.000 1.291 289 A HN 0.510 nan 8.150 nan 0.000 0.404 290 E N 0.327 120.526 120.200 -0.002 0.000 2.293 290 E HA 0.552 4.905 4.350 0.005 0.000 0.270 290 E C -1.521 175.064 176.600 -0.025 0.000 0.879 290 E CA -0.923 55.473 56.400 -0.007 0.000 0.756 290 E CB 2.649 32.346 29.700 -0.005 0.000 1.208 290 E HN 0.313 nan 8.360 nan 0.000 0.428 291 V N 2.350 122.244 119.914 -0.033 0.000 2.350 291 V HA 0.209 4.332 4.120 0.005 0.000 0.285 291 V C 0.264 176.355 176.094 -0.005 0.000 1.014 291 V CA -0.726 61.548 62.300 -0.043 0.000 0.831 291 V CB 1.190 32.930 31.823 -0.138 0.000 1.000 291 V HN 0.830 nan 8.190 nan 0.000 0.433 292 T N 1.399 115.962 114.554 0.014 0.000 2.913 292 T HA 0.292 4.645 4.350 0.005 0.000 0.297 292 T C 0.442 175.171 174.700 0.047 0.000 1.029 292 T CA -0.288 61.827 62.100 0.025 0.000 1.104 292 T CB 0.022 68.903 68.868 0.022 0.000 0.964 292 T HN 0.787 nan 8.240 nan 0.000 0.532 293 N N 0.847 119.575 118.700 0.047 0.000 2.688 293 N HA -0.124 4.619 4.740 0.005 0.000 0.258 293 N C -2.551 173.017 175.510 0.096 0.000 1.016 293 N CA 0.257 53.344 53.050 0.061 0.000 0.747 293 N CB -1.165 37.355 38.487 0.054 0.000 0.895 293 N HN 0.644 nan 8.380 nan 0.000 0.543 294 P HA 0.024 nan 4.420 nan 0.000 0.269 294 P C -0.137 177.290 177.300 0.211 0.000 1.209 294 P CA 0.014 63.208 63.100 0.156 0.000 0.776 294 P CB 0.863 32.614 31.700 0.085 0.000 0.876 295 V N 4.817 124.936 119.914 0.341 0.000 2.348 295 V HA 0.206 4.329 4.120 0.005 0.000 0.270 295 V C 1.217 177.490 176.094 0.298 0.000 1.037 295 V CA -0.380 62.066 62.300 0.244 0.000 0.872 295 V CB 0.007 31.918 31.823 0.147 0.000 1.002 295 V HN 0.473 nan 8.190 nan 0.000 0.464 296 R N 2.915 123.547 120.500 0.220 0.000 2.539 296 R HA 0.167 4.510 4.340 0.005 0.000 0.275 296 R C -0.499 175.974 176.300 0.287 0.000 1.077 296 R CA -0.448 55.804 56.100 0.254 0.000 1.097 296 R CB 1.050 31.471 30.300 0.201 0.000 1.018 296 R HN 0.753 nan 8.270 nan 0.000 0.483 297 W N 4.413 125.796 121.300 0.137 0.000 2.311 297 W HA 0.156 4.819 4.660 0.004 0.000 0.310 297 W C -0.819 175.772 176.519 0.120 0.000 1.274 297 W CA -0.226 57.189 57.345 0.116 0.000 1.215 297 W CB 0.666 30.190 29.460 0.106 0.000 1.227 297 W HN 0.240 nan 8.180 nan 0.000 0.523 298 M N 9.006 128.425 119.600 -0.302 0.000 2.598 298 M HA 0.374 4.857 4.480 0.005 0.000 0.317 298 M C -2.061 173.798 176.300 -0.734 0.000 1.179 298 M CA -2.439 52.716 55.300 -0.241 0.000 0.936 298 M CB 1.758 34.356 32.600 -0.004 0.000 1.713 298 M HN 0.270 nan 8.290 nan 0.000 0.460 299 P HA 0.107 nan 4.420 nan 0.000 0.274 299 P C -0.649 176.431 177.300 -0.366 0.000 1.237 299 P CA -0.426 62.359 63.100 -0.524 0.000 0.793 299 P CB 0.285 31.780 31.700 -0.342 0.000 0.977 300 N N 0.318 118.831 118.700 -0.311 0.000 2.359 300 N HA 0.166 4.909 4.740 0.005 0.000 0.261 300 N C 1.389 176.786 175.510 -0.188 0.000 1.267 300 N CA 2.135 55.066 53.050 -0.199 0.000 0.864 300 N CB -0.556 37.847 38.487 -0.140 0.000 1.063 300 N HN 0.753 nan 8.380 nan 0.000 0.474 301 G N 2.602 111.351 108.800 -0.084 0.000 2.307 301 G HA2 -0.213 3.750 3.960 0.005 0.000 0.210 301 G HA3 -0.213 3.750 3.960 0.005 0.000 0.210 301 G C 0.296 175.308 174.900 0.187 0.000 1.005 301 G CA 0.075 45.169 45.100 -0.011 0.000 0.634 301 G HN 0.551 nan 8.290 nan 0.000 0.496 302 W N 1.970 123.228 121.300 -0.070 0.000 3.005 302 W HA 0.622 5.287 4.660 0.008 0.000 0.374 302 W C 1.156 177.632 176.519 -0.071 0.000 1.076 302 W CA 0.258 57.570 57.345 -0.054 0.000 1.794 302 W CB 0.242 29.676 29.460 -0.043 0.000 1.113 302 W HN 1.126 nan 8.180 nan 0.000 0.584 303 G N -0.228 108.635 108.800 0.105 0.000 2.291 303 G HA2 0.055 4.017 3.960 0.005 0.000 0.249 303 G HA3 0.055 4.017 3.960 0.005 0.000 0.249 303 G C -0.958 173.907 174.900 -0.059 0.000 1.340 303 G CA -0.895 44.219 45.100 0.023 0.000 1.017 303 G HN -0.263 nan 8.290 nan 0.000 0.470 304 T N 3.166 117.677 114.554 -0.071 0.000 2.845 304 T HA 0.587 4.940 4.350 0.005 0.000 0.288 304 T C -2.267 172.305 174.700 -0.214 0.000 0.980 304 T CA -0.762 61.276 62.100 -0.104 0.000 1.071 304 T CB 2.014 70.853 68.868 -0.048 0.000 0.941 304 T HN 0.431 nan 8.240 nan 0.000 0.487 305 P HA 0.169 nan 4.420 nan 0.000 0.219 305 P C -0.330 176.929 177.300 -0.068 0.000 1.832 305 P CA -0.447 62.307 63.100 -0.577 0.000 1.014 305 P CB -0.745 30.669 31.700 -0.478 0.000 1.939 306 T N 2.798 117.377 114.554 0.042 0.000 2.902 306 T HA 0.169 4.522 4.350 0.005 0.000 0.301 306 T C 0.447 175.336 174.700 0.314 0.000 1.012 306 T CA 0.573 62.756 62.100 0.138 0.000 1.151 306 T CB 0.211 69.138 68.868 0.099 0.000 0.946 306 T HN 0.187 nan 8.240 nan 0.000 0.542 307 L N 3.493 124.833 121.223 0.196 0.000 2.376 307 L HA 0.451 4.794 4.340 0.005 0.000 0.275 307 L C -0.625 176.333 176.870 0.146 0.000 0.987 307 L CA -1.079 53.907 54.840 0.243 0.000 0.828 307 L CB 1.283 43.467 42.059 0.209 0.000 1.249 307 L HN 0.644 nan 8.230 nan 0.000 0.409 308 Y N 1.199 121.624 120.300 0.208 0.000 2.301 308 Y HA 0.146 4.699 4.550 0.005 0.000 0.328 308 Y C 0.400 176.466 175.900 0.277 0.000 1.242 308 Y CA -0.204 58.040 58.100 0.240 0.000 1.323 308 Y CB 0.858 39.549 38.460 0.385 0.000 1.266 308 Y HN 0.440 nan 8.280 nan 0.000 0.527 309 D N 2.737 123.348 120.400 0.352 0.000 2.329 309 D HA 0.193 4.836 4.640 0.005 0.000 0.232 309 D C -1.266 175.214 176.300 0.301 0.000 1.088 309 D CA -0.116 54.057 54.000 0.288 0.000 0.835 309 D CB 0.855 41.742 40.800 0.145 0.000 1.078 309 D HN 0.219 nan 8.370 nan 0.000 0.495 310 F N 1.107 121.144 119.950 0.144 0.000 2.411 310 F HA 0.212 4.742 4.527 0.004 0.000 0.352 310 F C 0.781 176.713 175.800 0.221 0.000 1.123 310 F CA -0.597 57.510 58.000 0.178 0.000 1.044 310 F CB 1.827 40.929 39.000 0.169 0.000 1.135 310 F HN 0.019 nan 8.300 nan 0.000 0.461 311 S N 3.064 118.916 115.700 0.253 0.000 2.552 311 S HA 0.845 5.318 4.470 0.005 0.000 0.314 311 S C -0.677 173.931 174.600 0.014 0.000 1.099 311 S CA -0.501 57.780 58.200 0.135 0.000 1.070 311 S CB 0.664 63.891 63.200 0.044 0.000 0.998 311 S HN 0.746 nan 8.310 nan 0.000 0.474 312 A N 4.604 127.314 122.820 -0.183 0.000 2.292 312 A HA 0.724 5.047 4.320 0.005 0.000 0.319 312 A C -0.433 177.018 177.584 -0.221 0.000 1.206 312 A CA -0.603 51.216 52.037 -0.364 0.000 0.835 312 A CB 0.747 19.225 19.000 -0.870 0.000 1.164 312 A HN 0.841 nan 8.150 nan 0.000 0.505 313 Q N 1.245 120.952 119.800 -0.155 0.000 2.394 313 Q HA 0.534 4.877 4.340 0.005 0.000 0.273 313 Q C -1.206 174.737 176.000 -0.094 0.000 1.089 313 Q CA -0.843 54.897 55.803 -0.105 0.000 0.812 313 Q CB 2.485 31.183 28.738 -0.066 0.000 1.353 313 Q HN 0.605 nan 8.270 nan 0.000 0.438 314 I N 1.803 122.329 120.570 -0.074 0.000 2.328 314 I HA 0.499 4.672 4.170 0.005 0.000 0.287 314 I C -0.392 175.707 176.117 -0.030 0.000 1.012 314 I CA -0.512 60.757 61.300 -0.052 0.000 1.195 314 I CB 0.693 38.664 38.000 -0.047 0.000 1.350 314 I HN 0.606 nan 8.210 nan 0.000 0.464 315 A N 6.209 129.015 122.820 -0.024 0.000 2.303 315 A HA 0.657 4.980 4.320 0.005 0.000 0.320 315 A C -0.671 176.909 177.584 -0.006 0.000 1.192 315 A CA -0.335 51.694 52.037 -0.013 0.000 0.821 315 A CB 0.826 19.817 19.000 -0.015 0.000 1.188 315 A HN 0.749 nan 8.150 nan 0.000 0.492 316 C N 2.893 122.193 119.300 0.001 0.000 2.356 316 C HA 0.756 5.219 4.460 0.005 0.000 0.324 316 C C 1.277 176.270 174.990 0.005 0.000 1.167 316 C CA 0.309 59.330 59.018 0.005 0.000 1.420 316 C CB -0.130 27.617 27.740 0.012 0.000 2.036 316 C HN 1.854 nan 8.230 nan 0.000 0.435 317 G N 3.307 112.109 108.800 0.003 0.000 2.596 317 G HA2 -0.303 3.660 3.960 0.005 0.000 0.304 317 G HA3 -0.303 3.660 3.960 0.005 0.000 0.304 317 G C 0.737 175.638 174.900 0.002 0.000 1.189 317 G CA 1.232 46.334 45.100 0.003 0.000 0.986 317 G HN 0.811 nan 8.290 nan 0.000 0.548 318 D N 1.060 121.462 120.400 0.003 0.000 2.194 318 D HA 0.177 4.820 4.640 0.005 0.000 0.204 318 D C 1.517 177.819 176.300 0.002 0.000 0.964 318 D CA 1.605 55.606 54.000 0.002 0.000 0.846 318 D CB -0.177 40.625 40.800 0.002 0.000 0.962 318 D HN 0.637 nan 8.370 nan 0.000 0.490 319 R N 0.413 120.916 120.500 0.006 0.000 2.390 319 R HA 0.352 4.695 4.340 0.005 0.000 0.291 319 R C -0.317 175.986 176.300 0.006 0.000 1.070 319 R CA -0.496 55.609 56.100 0.009 0.000 1.014 319 R CB 1.514 31.823 30.300 0.016 0.000 1.007 319 R HN 0.243 nan 8.270 nan 0.000 0.466 320 I N 4.809 125.382 120.570 0.004 0.000 2.294 320 I HA -0.031 4.142 4.170 0.005 0.000 0.295 320 I C 1.737 177.858 176.117 0.007 0.000 1.098 320 I CA 0.095 61.394 61.300 -0.002 0.000 1.277 320 I CB 0.817 38.812 38.000 -0.008 0.000 1.434 320 I HN 0.481 nan 8.210 nan 0.000 0.498 321 V N 3.679 123.600 119.914 0.012 0.000 2.951 321 V HA 0.400 4.523 4.120 0.005 0.000 0.255 321 V C 0.823 176.929 176.094 0.020 0.000 1.088 321 V CA 0.645 62.966 62.300 0.035 0.000 1.109 321 V CB -0.105 31.751 31.823 0.054 0.000 0.724 321 V HN 0.676 nan 8.190 nan 0.000 0.471 322 A N -0.221 122.588 122.820 -0.018 0.000 2.520 322 A HA 0.791 5.114 4.320 0.005 0.000 0.298 322 A C -0.941 176.603 177.584 -0.065 0.000 1.051 322 A CA -0.470 51.535 52.037 -0.053 0.000 0.690 322 A CB 2.070 21.020 19.000 -0.083 0.000 1.281 322 A HN 0.288 nan 8.150 nan 0.000 0.402 323 E N 0.745 120.903 120.200 -0.071 0.000 2.366 323 E HA 0.588 4.941 4.350 0.005 0.000 0.278 323 E C -1.820 174.730 176.600 -0.084 0.000 0.923 323 E CA -0.323 56.029 56.400 -0.080 0.000 0.761 323 E CB 2.293 31.962 29.700 -0.052 0.000 1.231 323 E HN 0.713 nan 8.360 nan 0.000 0.443 324 Q N 1.124 120.864 119.800 -0.100 0.000 2.309 324 Q HA 0.536 4.879 4.340 0.005 0.000 0.273 324 Q C -1.902 174.078 176.000 -0.033 0.000 1.040 324 Q CA -0.392 55.363 55.803 -0.080 0.000 0.834 324 Q CB 2.112 30.813 28.738 -0.061 0.000 1.345 324 Q HN 0.338 nan 8.270 nan 0.000 0.414 325 S N 2.245 117.897 115.700 -0.081 0.000 2.566 325 S HA 0.733 5.206 4.470 0.005 0.000 0.298 325 S C -1.499 172.949 174.600 -0.253 0.000 1.083 325 S CA -0.634 57.556 58.200 -0.017 0.000 0.978 325 S CB 0.878 64.094 63.200 0.026 0.000 1.073 325 S HN 0.591 nan 8.310 nan 0.000 0.491 326 H N 1.118 120.257 119.070 0.115 0.000 2.851 326 H HA 0.396 4.955 4.556 0.005 0.000 0.372 326 H C -0.589 174.757 175.328 0.031 0.000 1.158 326 H CA -0.682 55.342 56.048 -0.039 0.000 1.159 326 H CB 1.337 30.955 29.762 -0.240 0.000 1.757 326 H HN 0.443 nan 8.280 nan 0.000 0.546 327 R N 1.938 122.518 120.500 0.132 0.000 2.308 327 R HA 0.409 4.752 4.340 0.005 0.000 0.305 327 R C -0.228 176.091 176.300 0.031 0.000 1.053 327 R CA -0.548 55.629 56.100 0.127 0.000 0.957 327 R CB 0.955 31.320 30.300 0.109 0.000 1.022 327 R HN 0.315 nan 8.270 nan 0.000 0.461 328 I N 1.526 122.146 120.570 0.083 0.000 2.498 328 I HA 0.301 4.474 4.170 0.005 0.000 0.290 328 I C 0.488 176.644 176.117 0.065 0.000 1.032 328 I CA -0.542 60.705 61.300 -0.088 0.000 1.073 328 I CB 1.784 39.522 38.000 -0.436 0.000 1.251 328 I HN 0.698 nan 8.210 nan 0.000 0.426 329 G N 6.524 115.272 108.800 -0.086 0.000 2.343 329 G HA2 0.631 4.594 3.960 0.005 0.000 0.319 329 G HA3 0.631 4.594 3.960 0.005 0.000 0.319 329 G C -0.686 174.219 174.900 0.008 0.000 1.126 329 G CA -0.496 44.608 45.100 0.008 0.000 0.889 329 G HN 0.473 nan 8.290 nan 0.000 0.457 330 L N 4.069 125.404 121.223 0.186 0.000 2.255 330 L HA 0.610 4.953 4.340 0.005 0.000 0.289 330 L C 0.339 177.316 176.870 0.178 0.000 1.046 330 L CA -0.801 54.103 54.840 0.107 0.000 0.816 330 L CB 0.452 42.574 42.059 0.105 0.000 1.197 330 L HN 0.641 nan 8.230 nan 0.000 0.427 331 R N 1.811 122.380 120.500 0.114 0.000 2.712 331 R HA 0.499 4.842 4.340 0.005 0.000 0.272 331 R C -1.271 175.091 176.300 0.103 0.000 1.032 331 R CA -0.710 55.497 56.100 0.177 0.000 0.874 331 R CB 1.236 31.737 30.300 0.335 0.000 1.256 331 R HN 0.379 nan 8.270 nan 0.000 0.468 332 T N -0.711 113.920 114.554 0.128 0.000 2.823 332 T HA 0.736 5.089 4.350 0.005 0.000 0.279 332 T C 0.297 175.073 174.700 0.126 0.000 0.998 332 T CA -0.775 61.382 62.100 0.095 0.000 0.994 332 T CB 1.029 69.945 68.868 0.080 0.000 0.960 332 T HN 0.472 nan 8.240 nan 0.000 0.448 333 I N 2.368 122.993 120.570 0.092 0.000 2.447 333 I HA 0.509 4.682 4.170 0.005 0.000 0.287 333 I C -0.081 176.063 176.117 0.045 0.000 1.023 333 I CA -0.904 60.464 61.300 0.113 0.000 1.083 333 I CB 2.099 40.175 38.000 0.126 0.000 1.245 333 I HN 0.620 nan 8.210 nan 0.000 0.434 334 R N 5.665 126.166 120.500 0.001 0.000 2.561 334 R HA 0.670 5.013 4.340 0.005 0.000 0.297 334 R C -1.741 174.350 176.300 -0.348 0.000 0.969 334 R CA -0.516 55.506 56.100 -0.130 0.000 0.879 334 R CB 2.055 32.290 30.300 -0.108 0.000 1.178 334 R HN 0.413 nan 8.270 nan 0.000 0.445 335 V N 5.214 124.761 119.914 -0.612 0.000 2.383 335 V HA 0.277 4.400 4.120 0.005 0.000 0.275 335 V C -0.256 175.184 176.094 -1.090 0.000 1.036 335 V CA -0.622 60.949 62.300 -1.214 0.000 0.889 335 V CB 1.517 32.170 31.823 -1.950 0.000 0.985 335 V HN 0.514 nan 8.190 nan 0.000 0.459 336 V N 5.504 124.728 119.914 -1.150 0.000 2.350 336 V HA 0.398 4.521 4.120 0.005 0.000 0.276 336 V C 0.291 175.878 176.094 -0.846 0.000 1.028 336 V CA -0.412 61.330 62.300 -0.930 0.000 0.860 336 V CB 1.237 32.349 31.823 -1.184 0.000 0.990 336 V HN 0.956 nan 8.190 nan 0.000 0.453 337 N N 4.377 122.758 118.700 -0.532 0.000 2.690 337 N HA 0.347 5.090 4.740 0.005 0.000 0.255 337 N C -0.917 174.542 175.510 -0.084 0.000 1.195 337 N CA -0.286 52.597 53.050 -0.278 0.000 0.790 337 N CB 1.171 39.500 38.487 -0.263 0.000 1.216 337 N HN 0.752 nan 8.380 nan 0.000 0.528 338 E N 1.399 121.581 120.200 -0.029 0.000 2.317 338 E HA 0.282 4.635 4.350 0.005 0.000 0.270 338 E C -0.871 175.771 176.600 0.070 0.000 0.885 338 E CA -0.822 55.587 56.400 0.015 0.000 0.760 338 E CB 2.421 32.120 29.700 -0.002 0.000 1.227 338 E HN 0.256 nan 8.360 nan 0.000 0.434 339 K N 2.335 122.779 120.400 0.073 0.000 2.489 339 K HA 0.036 4.359 4.320 0.005 0.000 0.278 339 K C -0.475 176.173 176.600 0.079 0.000 1.000 339 K CA 0.665 57.003 56.287 0.084 0.000 1.012 339 K CB 0.142 32.687 32.500 0.074 0.000 0.903 339 K HN 0.489 nan 8.250 nan 0.000 0.485 340 D N 0.182 120.634 120.400 0.087 0.000 2.752 340 D HA 0.053 4.696 4.640 0.005 0.000 0.313 340 D C 0.156 176.509 176.300 0.087 0.000 1.225 340 D CA -0.935 53.115 54.000 0.085 0.000 0.976 340 D CB 0.297 41.152 40.800 0.093 0.000 1.443 340 D HN 0.332 nan 8.370 nan 0.000 0.515 341 K N -0.959 119.494 120.400 0.089 0.000 2.362 341 K HA -0.033 4.290 4.320 0.005 0.000 0.200 341 K C 0.221 176.890 176.600 0.116 0.000 1.046 341 K CA 1.056 57.399 56.287 0.094 0.000 0.952 341 K CB -0.131 32.423 32.500 0.090 0.000 0.753 341 K HN 0.204 nan 8.250 nan 0.000 0.466 342 D N 0.128 120.604 120.400 0.125 0.000 2.354 342 D HA 0.103 4.745 4.640 0.005 0.000 0.209 342 D C 1.061 177.442 176.300 0.135 0.000 1.015 342 D CA 1.018 55.117 54.000 0.166 0.000 0.867 342 D CB 1.163 42.066 40.800 0.173 0.000 0.933 342 D HN 0.502 nan 8.370 nan 0.000 0.520 343 G N 0.693 109.557 108.800 0.106 0.000 1.812 343 G HA2 -0.106 3.857 3.960 0.005 0.000 0.053 343 G HA3 -0.106 3.857 3.960 0.005 0.000 0.053 343 G C -1.057 173.912 174.900 0.114 0.000 0.844 343 G CA -0.701 44.465 45.100 0.109 0.000 1.151 343 G HN 0.142 nan 8.290 nan 0.000 0.362 344 E N 1.154 121.431 120.200 0.128 0.000 2.265 344 E HA 0.522 4.875 4.350 0.005 0.000 0.262 344 E C -0.128 176.581 176.600 0.182 0.000 0.889 344 E CA -0.149 56.354 56.400 0.171 0.000 0.789 344 E CB 2.053 31.911 29.700 0.263 0.000 1.221 344 E HN 0.714 nan 8.360 nan 0.000 0.414 345 S N 2.299 118.096 115.700 0.163 0.000 2.576 345 S HA 0.296 4.769 4.470 0.005 0.000 0.272 345 S C -0.265 174.485 174.600 0.251 0.000 1.352 345 S CA -0.318 58.005 58.200 0.205 0.000 1.021 345 S CB 0.526 63.881 63.200 0.259 0.000 0.887 345 S HN 0.501 nan 8.310 nan 0.000 0.542 346 F N 3.325 123.344 119.950 0.115 0.000 3.034 346 F HA 0.514 5.044 4.527 0.005 0.000 0.371 346 F C -1.206 174.627 175.800 0.055 0.000 1.233 346 F CA -0.716 57.258 58.000 -0.043 0.000 1.134 346 F CB 0.815 39.830 39.000 0.024 0.000 1.495 346 F HN 0.821 nan 8.300 nan 0.000 0.563 347 Y N 2.137 122.197 120.300 -0.399 0.000 2.670 347 Y HA 0.745 5.298 4.550 0.004 0.000 0.334 347 Y C -2.104 173.512 175.900 -0.474 0.000 1.185 347 Y CA -2.342 55.662 58.100 -0.160 0.000 1.053 347 Y CB 1.028 39.540 38.460 0.086 0.000 1.298 347 Y HN 0.207 nan 8.280 nan 0.000 0.459 348 F N 1.254 121.261 119.950 0.095 0.000 2.420 348 F HA 0.454 4.984 4.527 0.004 0.000 0.342 348 F C 0.051 175.965 175.800 0.188 0.000 1.113 348 F CA -0.489 57.507 58.000 -0.006 0.000 1.059 348 F CB 1.810 40.829 39.000 0.031 0.000 1.128 348 F HN 0.543 nan 8.300 nan 0.000 0.475 349 E N 2.628 122.967 120.200 0.233 0.000 2.113 349 E HA 0.532 4.885 4.350 0.005 0.000 0.273 349 E C -1.475 175.285 176.600 0.266 0.000 0.924 349 E CA -0.529 56.039 56.400 0.281 0.000 0.764 349 E CB 1.423 31.221 29.700 0.164 0.000 1.104 349 E HN 0.380 nan 8.360 nan 0.000 0.406 350 V N 5.404 125.532 119.914 0.357 0.000 2.448 350 V HA 0.195 4.318 4.120 0.005 0.000 0.295 350 V C 0.037 176.347 176.094 0.360 0.000 1.025 350 V CA -0.925 61.590 62.300 0.359 0.000 0.859 350 V CB 1.503 33.547 31.823 0.368 0.000 0.988 350 V HN 0.850 nan 8.190 nan 0.000 0.431 351 N N 4.014 122.871 118.700 0.262 0.000 2.721 351 N HA -0.226 4.517 4.740 0.005 0.000 0.249 351 N C 1.205 176.803 175.510 0.146 0.000 1.072 351 N CA 1.519 54.687 53.050 0.196 0.000 0.710 351 N CB -1.023 37.590 38.487 0.209 0.000 0.993 351 N HN 1.529 nan 8.380 nan 0.000 0.547 352 G N -1.403 107.485 108.800 0.148 0.000 2.179 352 G HA2 -0.320 3.642 3.960 0.005 0.000 0.260 352 G HA3 -0.320 3.642 3.960 0.005 0.000 0.260 352 G C 0.086 175.065 174.900 0.131 0.000 0.977 352 G CA 0.518 45.688 45.100 0.116 0.000 0.641 352 G HN 0.511 nan 8.290 nan 0.000 0.533 353 I N 1.621 122.301 120.570 0.184 0.000 2.404 353 I HA 0.380 4.553 4.170 0.005 0.000 0.293 353 I C -2.286 174.052 176.117 0.367 0.000 0.992 353 I CA -2.708 58.698 61.300 0.178 0.000 1.149 353 I CB 2.098 40.076 38.000 -0.036 0.000 1.315 353 I HN -0.207 nan 8.210 nan 0.000 0.446 354 P HA 0.085 nan 4.420 nan 0.000 0.267 354 P C -0.747 176.844 177.300 0.485 0.000 1.209 354 P CA 0.045 63.361 63.100 0.360 0.000 0.763 354 P CB 0.462 32.234 31.700 0.120 0.000 0.816 355 M N 5.460 125.328 119.600 0.447 0.000 2.078 355 M HA 0.354 4.837 4.480 0.005 0.000 0.320 355 M C -1.050 175.378 176.300 0.212 0.000 0.969 355 M CA -1.136 54.321 55.300 0.261 0.000 0.929 355 M CB 0.516 33.053 32.600 -0.106 0.000 1.504 355 M HN 0.156 nan 8.290 nan 0.000 0.419 356 F N 4.394 124.387 119.950 0.071 0.000 2.541 356 F HA 0.421 4.951 4.527 0.004 0.000 0.378 356 F C 0.178 175.925 175.800 -0.088 0.000 1.068 356 F CA -0.162 57.856 58.000 0.030 0.000 1.199 356 F CB 0.537 39.543 39.000 0.009 0.000 1.091 356 F HN 0.669 nan 8.300 nan 0.000 0.555 357 A N 6.965 129.552 122.820 -0.388 0.000 2.401 357 A HA 0.450 4.773 4.320 0.005 0.000 0.259 357 A C -0.532 176.809 177.584 -0.406 0.000 1.103 357 A CA -0.543 51.305 52.037 -0.315 0.000 0.789 357 A CB 0.321 19.251 19.000 -0.117 0.000 1.035 357 A HN 0.828 nan 8.150 nan 0.000 0.491 358 K N 1.811 121.949 120.400 -0.435 0.000 2.613 358 K HA 0.589 4.912 4.320 0.005 0.000 0.248 358 K C 0.070 176.235 176.600 -0.726 0.000 0.959 358 K CA -0.035 55.720 56.287 -0.887 0.000 0.855 358 K CB 2.078 33.817 32.500 -1.269 0.000 1.143 358 K HN 1.058 nan 8.250 nan 0.000 0.437 359 G N 1.055 109.620 108.800 -0.392 0.000 2.474 359 G HA2 0.732 4.695 3.960 0.005 0.000 0.234 359 G HA3 0.732 4.695 3.960 0.005 0.000 0.234 359 G C -1.797 172.971 174.900 -0.220 0.000 1.204 359 G CA -0.154 44.834 45.100 -0.186 0.000 0.939 359 G HN 0.620 nan 8.290 nan 0.000 0.491 360 A N -0.917 121.657 122.820 -0.410 0.000 2.610 360 A HA 0.742 5.065 4.320 0.005 0.000 0.291 360 A C -1.208 176.081 177.584 -0.492 0.000 1.086 360 A CA -0.724 50.873 52.037 -0.734 0.000 0.677 360 A CB 1.028 19.311 19.000 -1.196 0.000 1.278 360 A HN 0.563 nan 8.150 nan 0.000 0.414 361 N N 0.772 119.134 118.700 -0.563 0.000 2.458 361 N HA 0.308 5.051 4.740 0.005 0.000 0.270 361 N C -1.465 173.684 175.510 -0.603 0.000 1.102 361 N CA 0.316 53.066 53.050 -0.500 0.000 0.967 361 N CB 1.237 39.414 38.487 -0.516 0.000 1.078 361 N HN 0.637 nan 8.380 nan 0.000 0.471 362 Y N 3.698 123.707 120.300 -0.485 0.000 2.342 362 Y HA 0.487 5.040 4.550 0.005 0.000 0.334 362 Y C -0.101 175.543 175.900 -0.427 0.000 1.067 362 Y CA -0.834 56.999 58.100 -0.445 0.000 1.128 362 Y CB 0.639 38.956 38.460 -0.239 0.000 1.200 362 Y HN 0.442 nan 8.280 nan 0.000 0.464 363 I N 3.468 123.286 120.570 -1.252 0.000 3.067 363 I HA 0.757 4.930 4.170 0.005 0.000 0.312 363 I C -2.830 172.532 176.117 -1.257 0.000 1.073 363 I CA -3.267 57.415 61.300 -1.029 0.000 1.016 363 I CB 1.909 39.139 38.000 -1.283 0.000 1.227 363 I HN 0.370 nan 8.210 nan 0.000 0.456 364 P HA 0.102 nan 4.420 nan 0.000 0.268 364 P C -0.620 176.399 177.300 -0.469 0.000 1.208 364 P CA 0.090 62.836 63.100 -0.591 0.000 0.777 364 P CB 0.435 31.673 31.700 -0.770 0.000 0.875 365 Q N 0.266 119.921 119.800 -0.241 0.000 2.403 365 Q HA 0.086 4.429 4.340 0.005 0.000 0.203 365 Q C 0.042 176.076 176.000 0.056 0.000 0.932 365 Q CA 0.682 56.389 55.803 -0.160 0.000 0.945 365 Q CB 0.350 28.991 28.738 -0.161 0.000 1.045 365 Q HN 0.486 nan 8.270 nan 0.000 0.511 366 D N -2.194 118.288 120.400 0.137 0.000 2.706 366 D HA 0.208 4.851 4.640 0.005 0.000 0.225 366 D C -0.358 176.144 176.300 0.337 0.000 1.241 366 D CA -0.061 54.126 54.000 0.312 0.000 0.784 366 D CB 1.524 42.522 40.800 0.331 0.000 1.521 366 D HN -0.052 nan 8.370 nan 0.000 0.461 367 A N 2.446 125.474 122.820 0.346 0.000 2.024 367 A HA -0.014 4.309 4.320 0.005 0.000 0.220 367 A C 1.081 178.730 177.584 0.109 0.000 1.164 367 A CA 1.035 53.206 52.037 0.224 0.000 0.643 367 A CB -0.130 18.978 19.000 0.179 0.000 0.806 367 A HN 0.479 nan 8.150 nan 0.000 0.451 368 L N 0.593 121.911 121.223 0.157 0.000 2.387 368 L HA 0.275 4.618 4.340 0.005 0.000 0.259 368 L C 0.578 177.543 176.870 0.158 0.000 1.050 368 L CA -0.514 54.373 54.840 0.079 0.000 0.922 368 L CB 1.094 43.163 42.059 0.017 0.000 1.280 368 L HN 0.238 nan 8.230 nan 0.000 0.449 369 L N 2.610 123.949 121.223 0.194 0.000 2.034 369 L HA -0.191 4.152 4.340 0.005 0.000 0.217 369 L C -0.449 176.599 176.870 0.297 0.000 1.077 369 L CA 1.738 56.753 54.840 0.293 0.000 0.769 369 L CB -1.303 40.997 42.059 0.401 0.000 0.890 369 L HN 0.501 nan 8.230 nan 0.000 0.435 370 P HA -0.051 nan 4.420 nan 0.000 0.234 370 P C 0.688 178.078 177.300 0.150 0.000 1.167 370 P CA 0.874 64.091 63.100 0.195 0.000 0.763 370 P CB -0.081 31.692 31.700 0.120 0.000 0.835 371 N N -0.870 117.917 118.700 0.145 0.000 2.457 371 N HA -0.029 4.714 4.740 0.005 0.000 0.180 371 N C 0.098 175.693 175.510 0.142 0.000 1.050 371 N CA 0.391 53.520 53.050 0.131 0.000 0.906 371 N CB -0.512 38.059 38.487 0.139 0.000 0.968 371 N HN 0.013 nan 8.380 nan 0.000 0.445 372 V N 2.426 122.439 119.914 0.165 0.000 2.421 372 V HA 0.052 4.175 4.120 0.005 0.000 0.271 372 V C 0.909 177.133 176.094 0.216 0.000 1.031 372 V CA -0.260 62.114 62.300 0.124 0.000 1.032 372 V CB -0.227 31.612 31.823 0.028 0.000 1.009 372 V HN 0.255 nan 8.190 nan 0.000 0.477 373 T N 1.200 115.853 114.554 0.165 0.000 2.874 373 T HA 0.187 4.540 4.350 0.005 0.000 0.281 373 T C 1.378 176.255 174.700 0.294 0.000 0.994 373 T CA -0.023 62.194 62.100 0.195 0.000 1.015 373 T CB 1.260 70.201 68.868 0.122 0.000 1.028 373 T HN 0.556 nan 8.240 nan 0.000 0.523 374 T N 0.426 115.122 114.554 0.235 0.000 2.699 374 T HA -0.174 4.179 4.350 0.005 0.000 0.268 374 T C 1.697 176.521 174.700 0.206 0.000 1.036 374 T CA 1.996 64.226 62.100 0.217 0.000 1.147 374 T CB -0.495 68.440 68.868 0.112 0.000 0.862 374 T HN 0.863 nan 8.240 nan 0.000 0.446 375 E N 0.643 120.929 120.200 0.143 0.000 2.085 375 E HA -0.167 4.186 4.350 0.005 0.000 0.194 375 E C 2.445 179.110 176.600 0.109 0.000 0.994 375 E CA 1.002 57.467 56.400 0.109 0.000 0.801 375 E CB 0.022 29.769 29.700 0.078 0.000 0.743 375 E HN 0.409 nan 8.360 nan 0.000 0.453 376 R N -0.959 119.598 120.500 0.096 0.000 2.075 376 R HA -0.124 4.219 4.340 0.005 0.000 0.232 376 R C 2.227 178.550 176.300 0.038 0.000 1.126 376 R CA 1.498 57.611 56.100 0.022 0.000 0.963 376 R CB -0.302 29.966 30.300 -0.053 0.000 0.858 376 R HN 0.287 nan 8.270 nan 0.000 0.435 377 Y N 1.212 121.585 120.300 0.122 0.000 2.145 377 Y HA -0.240 4.313 4.550 0.005 0.000 0.286 377 Y C 2.536 178.548 175.900 0.186 0.000 1.145 377 Y CA 1.573 59.780 58.100 0.180 0.000 1.148 377 Y CB -0.211 38.350 38.460 0.169 0.000 0.981 377 Y HN 0.102 nan 8.280 nan 0.000 0.507 378 Q N -0.880 119.083 119.800 0.273 0.000 2.096 378 Q HA -0.178 4.165 4.340 0.005 0.000 0.204 378 Q C 2.146 178.246 176.000 0.167 0.000 0.982 378 Q CA 2.151 58.062 55.803 0.181 0.000 0.850 378 Q CB -0.401 28.404 28.738 0.111 0.000 0.901 378 Q HN 0.415 nan 8.270 nan 0.000 0.422 379 T N 1.216 115.845 114.554 0.125 0.000 2.777 379 T HA -0.121 4.232 4.350 0.005 0.000 0.266 379 T C 1.682 176.426 174.700 0.072 0.000 1.040 379 T CA 0.781 62.935 62.100 0.091 0.000 1.141 379 T CB -0.210 68.695 68.868 0.061 0.000 0.868 379 T HN 0.082 nan 8.240 nan 0.000 0.444 380 L N 0.328 121.574 121.223 0.040 0.000 2.083 380 L HA 0.080 4.423 4.340 0.005 0.000 0.209 380 L C 1.812 178.570 176.870 -0.186 0.000 1.083 380 L CA 1.581 56.368 54.840 -0.089 0.000 0.752 380 L CB -0.817 41.171 42.059 -0.119 0.000 0.899 380 L HN 0.196 nan 8.230 nan 0.000 0.433 381 F N -0.673 119.230 119.950 -0.080 0.000 2.293 381 F HA -0.053 4.477 4.527 0.005 0.000 0.297 381 F C 2.659 178.433 175.800 -0.043 0.000 1.089 381 F CA 1.226 59.157 58.000 -0.115 0.000 1.377 381 F CB -0.356 38.545 39.000 -0.165 0.000 1.051 381 F HN 0.049 nan 8.300 nan 0.000 0.511 382 R N 0.634 121.229 120.500 0.158 0.000 2.096 382 R HA -0.169 4.174 4.340 0.005 0.000 0.235 382 R C 1.636 178.030 176.300 0.157 0.000 1.127 382 R CA 2.072 58.256 56.100 0.139 0.000 0.968 382 R CB -0.391 29.986 30.300 0.129 0.000 0.861 382 R HN 0.131 nan 8.270 nan 0.000 0.440 383 D N 0.366 120.840 120.400 0.123 0.000 2.117 383 D HA -0.167 4.476 4.640 0.005 0.000 0.198 383 D C 1.999 178.338 176.300 0.065 0.000 0.982 383 D CA 1.540 55.615 54.000 0.124 0.000 0.828 383 D CB -0.150 40.569 40.800 -0.134 0.000 0.967 383 D HN 0.371 nan 8.370 nan 0.000 0.464 384 M N 0.311 119.876 119.600 -0.057 0.000 2.099 384 M HA -0.123 4.360 4.480 0.005 0.000 0.262 384 M C 2.265 178.564 176.300 -0.002 0.000 1.067 384 M CA 1.161 56.417 55.300 -0.073 0.000 1.124 384 M CB -0.219 32.236 32.600 -0.242 0.000 1.353 384 M HN -0.121 nan 8.290 nan 0.000 0.410 385 K N 0.825 121.246 120.400 0.034 0.000 2.057 385 K HA -0.174 4.149 4.320 0.005 0.000 0.207 385 K C 1.674 178.327 176.600 0.088 0.000 1.049 385 K CA 1.530 57.849 56.287 0.053 0.000 0.931 385 K CB 0.007 32.550 32.500 0.071 0.000 0.714 385 K HN 0.384 nan 8.250 nan 0.000 0.440 386 E N -0.424 119.868 120.200 0.153 0.000 2.204 386 E HA -0.118 4.235 4.350 0.005 0.000 0.194 386 E C 1.236 177.960 176.600 0.206 0.000 0.989 386 E CA 0.728 57.261 56.400 0.221 0.000 0.824 386 E CB 0.062 29.980 29.700 0.363 0.000 0.756 386 E HN 0.322 nan 8.360 nan 0.000 0.477 387 A N 1.264 124.149 122.820 0.108 0.000 2.327 387 A HA -0.000 4.323 4.320 0.005 0.000 0.228 387 A C 0.179 177.822 177.584 0.098 0.000 1.275 387 A CA -0.131 51.891 52.037 -0.025 0.000 0.875 387 A CB -0.214 18.555 19.000 -0.385 0.000 0.925 387 A HN 0.208 nan 8.150 nan 0.000 0.493 388 N N -1.224 117.533 118.700 0.096 0.000 2.741 388 N HA -0.169 4.573 4.740 0.005 0.000 0.251 388 N C -0.117 175.401 175.510 0.014 0.000 1.112 388 N CA 1.381 54.478 53.050 0.079 0.000 0.750 388 N CB -1.690 36.876 38.487 0.131 0.000 1.119 388 N HN 0.660 nan 8.380 nan 0.000 0.561 389 M N 0.731 120.331 119.600 -0.001 0.000 2.240 389 M HA 0.056 4.539 4.480 0.005 0.000 0.333 389 M C 1.425 177.618 176.300 -0.178 0.000 1.110 389 M CA 0.503 55.721 55.300 -0.137 0.000 1.173 389 M CB 0.269 32.811 32.600 -0.097 0.000 1.458 389 M HN 0.163 nan 8.290 nan 0.000 0.458 390 N N 1.106 119.658 118.700 -0.247 0.000 2.143 390 N HA 0.294 5.037 4.740 0.005 0.000 0.222 390 N C -0.645 174.748 175.510 -0.195 0.000 1.264 390 N CA -0.223 52.691 53.050 -0.226 0.000 0.897 390 N CB 0.762 39.060 38.487 -0.315 0.000 1.092 390 N HN 0.716 nan 8.380 nan 0.000 0.516 391 M N 0.306 119.788 119.600 -0.196 0.000 2.465 391 M HA 0.524 5.007 4.480 0.005 0.000 0.284 391 M C -2.146 174.069 176.300 -0.141 0.000 1.212 391 M CA -0.922 54.284 55.300 -0.157 0.000 0.910 391 M CB 2.549 35.039 32.600 -0.182 0.000 1.725 391 M HN -0.169 nan 8.290 nan 0.000 0.477 392 V N 3.908 123.768 119.914 -0.090 0.000 2.686 392 V HA 0.645 4.768 4.120 0.005 0.000 0.306 392 V C -1.478 174.598 176.094 -0.030 0.000 1.065 392 V CA -0.605 61.633 62.300 -0.104 0.000 0.894 392 V CB 2.255 34.000 31.823 -0.130 0.000 1.004 392 V HN 0.976 nan 8.190 nan 0.000 0.424 393 R N 6.312 126.751 120.500 -0.101 0.000 2.229 393 R HA 0.553 4.895 4.340 0.005 0.000 0.328 393 R C -0.800 175.493 176.300 -0.013 0.000 1.009 393 R CA -0.555 55.471 56.100 -0.123 0.000 0.864 393 R CB 0.903 30.905 30.300 -0.497 0.000 1.085 393 R HN 0.782 nan 8.270 nan 0.000 0.453 394 I N 6.157 126.753 120.570 0.044 0.000 2.278 394 I HA 0.093 4.266 4.170 0.005 0.000 0.296 394 I C 0.006 176.194 176.117 0.119 0.000 1.121 394 I CA -0.485 60.847 61.300 0.052 0.000 1.267 394 I CB 0.038 37.961 38.000 -0.128 0.000 1.447 394 I HN 0.619 nan 8.210 nan 0.000 0.509 395 W N 6.008 127.278 121.300 -0.051 0.000 2.170 395 W HA 0.341 5.004 4.660 0.005 0.000 0.336 395 W C 1.301 177.800 176.519 -0.033 0.000 1.283 395 W CA -0.482 56.870 57.345 0.011 0.000 1.224 395 W CB 0.956 30.501 29.460 0.142 0.000 1.132 395 W HN 0.547 nan 8.180 nan 0.000 0.571 396 G N 2.509 110.953 108.800 -0.594 0.000 2.708 396 G HA2 -0.009 3.954 3.960 0.005 0.000 0.210 396 G HA3 -0.009 3.954 3.960 0.005 0.000 0.210 396 G C 0.976 175.291 174.900 -0.975 0.000 1.141 396 G CA 0.415 45.122 45.100 -0.655 0.000 0.788 396 G HN 0.865 nan 8.290 nan 0.000 0.531 397 G N -0.563 107.100 108.800 -1.894 0.000 3.284 397 G HA2 0.459 4.422 3.960 0.005 0.000 0.236 397 G HA3 0.459 4.422 3.960 0.005 0.000 0.236 397 G C 0.754 175.343 174.900 -0.518 0.000 1.158 397 G CA 0.613 44.848 45.100 -1.443 0.000 0.774 397 G HN 0.521 nan 8.290 nan 0.000 0.545 398 G N 0.058 108.645 108.800 -0.355 0.000 3.410 398 G HA2 0.546 4.509 3.960 0.005 0.000 0.189 398 G HA3 0.546 4.509 3.960 0.005 0.000 0.189 398 G C 0.050 174.900 174.900 -0.083 0.000 1.404 398 G CA 0.541 45.548 45.100 -0.156 0.000 0.898 398 G HN 0.603 nan 8.290 nan 0.000 0.650 399 T N -2.818 111.689 114.554 -0.079 0.000 2.901 399 T HA 0.573 4.926 4.350 0.005 0.000 0.293 399 T C -1.158 173.440 174.700 -0.169 0.000 1.084 399 T CA -0.722 61.373 62.100 -0.009 0.000 1.008 399 T CB 1.479 70.552 68.868 0.342 0.000 1.170 399 T HN 0.294 nan 8.240 nan 0.000 0.509 400 Y N 1.439 121.738 120.300 -0.002 0.000 2.569 400 Y HA 0.310 4.863 4.550 0.005 0.000 0.332 400 Y C 1.413 177.416 175.900 0.172 0.000 1.120 400 Y CA -0.419 57.716 58.100 0.059 0.000 1.416 400 Y CB 0.233 38.738 38.460 0.075 0.000 1.210 400 Y HN 0.514 nan 8.280 nan 0.000 0.528 401 E N 2.589 122.913 120.200 0.206 0.000 2.369 401 E HA 0.014 4.367 4.350 0.005 0.000 0.255 401 E C -0.079 176.667 176.600 0.243 0.000 1.172 401 E CA -0.363 56.117 56.400 0.134 0.000 0.932 401 E CB 0.477 29.940 29.700 -0.395 0.000 1.040 401 E HN 0.746 nan 8.360 nan 0.000 0.454 402 N N 0.971 119.786 118.700 0.192 0.000 2.354 402 N HA -0.027 4.716 4.740 0.005 0.000 0.246 402 N C 0.514 176.085 175.510 0.101 0.000 1.285 402 N CA -0.181 52.925 53.050 0.093 0.000 0.925 402 N CB 0.237 38.715 38.487 -0.016 0.000 1.174 402 N HN 0.206 nan 8.380 nan 0.000 0.478 403 N N -0.443 118.283 118.700 0.044 0.000 2.166 403 N HA -0.122 4.621 4.740 0.005 0.000 0.186 403 N C 1.453 176.980 175.510 0.029 0.000 1.019 403 N CA 0.597 53.694 53.050 0.078 0.000 0.856 403 N CB -0.552 37.974 38.487 0.066 0.000 0.993 403 N HN 0.571 nan 8.380 nan 0.000 0.426 404 L N 0.507 121.678 121.223 -0.087 0.000 2.012 404 L HA -0.115 4.228 4.340 0.005 0.000 0.210 404 L C 2.088 178.813 176.870 -0.242 0.000 1.073 404 L CA 1.416 56.143 54.840 -0.189 0.000 0.748 404 L CB -0.981 40.885 42.059 -0.321 0.000 0.891 404 L HN 0.088 nan 8.230 nan 0.000 0.431 405 F N -0.889 118.836 119.950 -0.375 0.000 2.065 405 F HA -0.360 4.169 4.527 0.005 0.000 0.298 405 F C 2.117 177.655 175.800 -0.437 0.000 1.112 405 F CA 2.107 59.950 58.000 -0.262 0.000 1.212 405 F CB -0.443 38.508 39.000 -0.082 0.000 0.975 405 F HN 0.154 nan 8.300 nan 0.000 0.476 406 Y N 0.538 120.762 120.300 -0.127 0.000 2.263 406 Y HA -0.199 4.354 4.550 0.005 0.000 0.292 406 Y C 2.370 177.980 175.900 -0.484 0.000 1.130 406 Y CA 1.482 59.314 58.100 -0.446 0.000 1.179 406 Y CB -0.660 37.180 38.460 -1.033 0.000 0.998 406 Y HN 0.062 nan 8.280 nan 0.000 0.532 407 D N 0.038 120.348 120.400 -0.151 0.000 2.149 407 D HA -0.176 4.467 4.640 0.005 0.000 0.198 407 D C 2.155 178.319 176.300 -0.227 0.000 0.990 407 D CA 1.275 55.250 54.000 -0.042 0.000 0.839 407 D CB -0.367 40.426 40.800 -0.011 0.000 0.948 407 D HN 0.316 nan 8.370 nan 0.000 0.460 408 L N 0.488 121.397 121.223 -0.523 0.000 2.072 408 L HA -0.083 4.260 4.340 0.005 0.000 0.205 408 L C 2.557 178.855 176.870 -0.952 0.000 1.079 408 L CA 0.928 55.268 54.840 -0.833 0.000 0.752 408 L CB -0.383 40.880 42.059 -1.327 0.000 0.906 408 L HN -0.041 nan 8.230 nan 0.000 0.436 409 A N 0.174 122.356 122.820 -1.063 0.000 1.883 409 A HA -0.267 4.056 4.320 0.005 0.000 0.217 409 A C 1.922 179.494 177.584 -0.020 0.000 1.186 409 A CA 2.194 54.004 52.037 -0.378 0.000 0.624 409 A CB -0.616 18.242 19.000 -0.237 0.000 0.822 409 A HN 0.362 nan 8.150 nan 0.000 0.444 410 D N -0.216 120.194 120.400 0.016 0.000 2.104 410 D HA -0.180 4.463 4.640 0.005 0.000 0.194 410 D C 1.981 178.492 176.300 0.352 0.000 0.994 410 D CA 1.724 55.880 54.000 0.259 0.000 0.830 410 D CB -0.477 40.425 40.800 0.171 0.000 0.959 410 D HN 0.881 nan 8.370 nan 0.000 0.452 411 E N -0.112 120.151 120.200 0.105 0.000 2.482 411 E HA -0.033 4.320 4.350 0.005 0.000 0.196 411 E C 0.988 177.599 176.600 0.019 0.000 1.047 411 E CA 0.463 56.907 56.400 0.074 0.000 0.869 411 E CB -0.069 29.640 29.700 0.015 0.000 0.836 411 E HN 0.148 nan 8.360 nan 0.000 0.520 412 N N 0.599 119.303 118.700 0.007 0.000 2.236 412 N HA 0.060 4.803 4.740 0.005 0.000 0.196 412 N C 0.565 176.061 175.510 -0.023 0.000 1.114 412 N CA 0.695 53.749 53.050 0.007 0.000 0.859 412 N CB 1.309 39.836 38.487 0.067 0.000 0.982 412 N HN 0.371 nan 8.380 nan 0.000 0.493 413 G N 1.580 110.368 108.800 -0.019 0.000 2.221 413 G HA2 -0.220 3.743 3.960 0.005 0.000 0.265 413 G HA3 -0.220 3.743 3.960 0.005 0.000 0.265 413 G C -0.247 174.628 174.900 -0.043 0.000 1.041 413 G CA -0.158 44.790 45.100 -0.253 0.000 0.807 413 G HN 0.188 nan 8.290 nan 0.000 0.502 414 I N 0.319 120.988 120.570 0.165 0.000 2.339 414 I HA 0.455 4.628 4.170 0.005 0.000 0.290 414 I C 0.725 176.950 176.117 0.181 0.000 0.994 414 I CA -1.585 59.777 61.300 0.103 0.000 1.191 414 I CB 1.222 39.283 38.000 0.103 0.000 1.343 414 I HN -0.053 nan 8.210 nan 0.000 0.458 415 L N 6.625 127.912 121.223 0.107 0.000 2.439 415 L HA 0.251 4.594 4.340 0.005 0.000 0.269 415 L C 0.106 176.988 176.870 0.019 0.000 1.179 415 L CA 0.161 55.044 54.840 0.071 0.000 0.828 415 L CB 0.871 42.890 42.059 -0.067 0.000 1.106 415 L HN 0.247 nan 8.230 nan 0.000 0.467 416 V N 2.170 122.106 119.914 0.036 0.000 2.378 416 V HA 0.233 4.356 4.120 0.005 0.000 0.288 416 V C -0.838 175.327 176.094 0.118 0.000 1.016 416 V CA -0.707 61.627 62.300 0.057 0.000 0.840 416 V CB 1.517 33.350 31.823 0.015 0.000 0.994 416 V HN 0.689 nan 8.190 nan 0.000 0.431 417 W N 5.989 127.266 121.300 -0.037 0.000 2.332 417 W HA 0.539 5.202 4.660 0.005 0.000 0.306 417 W C -0.435 176.061 176.519 -0.038 0.000 1.149 417 W CA -0.957 56.399 57.345 0.017 0.000 1.271 417 W CB 1.333 30.858 29.460 0.109 0.000 1.243 417 W HN 0.638 nan 8.180 nan 0.000 0.459 418 Q N 4.856 124.754 119.800 0.163 0.000 2.372 418 Q HA 0.220 4.563 4.340 0.005 0.000 0.259 418 Q C -0.844 175.246 176.000 0.149 0.000 0.993 418 Q CA -0.187 55.631 55.803 0.025 0.000 0.854 418 Q CB 0.643 29.147 28.738 -0.391 0.000 1.231 418 Q HN 0.288 nan 8.270 nan 0.000 0.462 419 D N 3.034 123.581 120.400 0.246 0.000 2.372 419 D HA 0.130 4.773 4.640 0.005 0.000 0.243 419 D C -0.319 176.041 176.300 0.099 0.000 1.121 419 D CA 0.190 54.335 54.000 0.242 0.000 0.898 419 D CB 0.396 41.289 40.800 0.155 0.000 1.202 419 D HN 0.417 nan 8.370 nan 0.000 0.428 420 F N 0.628 120.804 119.950 0.376 0.000 2.440 420 F HA 0.099 4.629 4.527 0.005 0.000 0.323 420 F C 1.481 177.217 175.800 -0.107 0.000 1.192 420 F CA -0.311 57.879 58.000 0.316 0.000 1.252 420 F CB 0.363 39.728 39.000 0.609 0.000 1.214 420 F HN 0.041 nan 8.300 nan 0.000 0.578 421 M N 3.344 122.687 119.600 -0.428 0.000 3.586 421 M HA 0.210 4.693 4.480 0.005 0.000 0.225 421 M C -1.531 174.221 176.300 -0.912 0.000 1.428 421 M CA 0.239 55.065 55.300 -0.789 0.000 1.613 421 M CB -1.597 30.269 32.600 -1.223 0.000 1.063 421 M HN 0.291 nan 8.290 nan 0.000 0.593 422 F N 0.540 120.413 119.950 -0.128 0.000 2.561 422 F HA 0.718 5.248 4.527 0.005 0.000 0.313 422 F C -0.158 175.665 175.800 0.040 0.000 1.126 422 F CA -0.997 56.922 58.000 -0.134 0.000 0.918 422 F CB 1.848 40.796 39.000 -0.087 0.000 1.199 422 F HN 0.332 nan 8.300 nan 0.000 0.444 423 A N 1.276 124.353 122.820 0.428 0.000 2.437 423 A HA 0.602 4.925 4.320 0.005 0.000 0.293 423 A C 0.092 177.988 177.584 0.520 0.000 1.038 423 A CA -0.658 51.568 52.037 0.316 0.000 0.708 423 A CB 0.696 19.675 19.000 -0.036 0.000 1.251 423 A HN 1.117 nan 8.150 nan 0.000 0.409 424 C N 0.158 119.717 119.300 0.432 0.000 5.082 424 C HA -0.135 4.328 4.460 0.005 0.000 0.267 424 C C 1.014 176.233 174.990 0.382 0.000 1.720 424 C CA 1.648 60.937 59.018 0.452 0.000 1.665 424 C CB -2.242 25.836 27.740 0.564 0.000 2.220 424 C HN 1.556 nan 8.230 nan 0.000 0.596 425 T N 1.012 115.737 114.554 0.285 0.000 2.900 425 T HA 0.619 4.972 4.350 0.005 0.000 0.295 425 T C -2.716 172.073 174.700 0.149 0.000 1.044 425 T CA -1.318 60.873 62.100 0.152 0.000 0.995 425 T CB 2.330 71.146 68.868 -0.087 0.000 1.072 425 T HN 0.081 nan 8.240 nan 0.000 0.473 426 P HA 0.259 nan 4.420 nan 0.000 0.272 426 P C -1.283 176.034 177.300 0.028 0.000 1.230 426 P CA -0.137 63.118 63.100 0.258 0.000 0.788 426 P CB 0.485 32.316 31.700 0.218 0.000 0.949 427 Y N -0.358 120.004 120.300 0.103 0.000 2.598 427 Y HA 0.426 4.979 4.550 0.005 0.000 0.340 427 Y C -1.666 174.050 175.900 -0.307 0.000 1.038 427 Y CA -2.288 55.678 58.100 -0.223 0.000 1.100 427 Y CB 0.845 39.353 38.460 0.082 0.000 1.281 427 Y HN 0.269 nan 8.280 nan 0.000 0.488 428 P HA 0.050 nan 4.420 nan 0.000 0.270 428 P C -0.410 176.793 177.300 -0.162 0.000 1.227 428 P CA 0.134 63.004 63.100 -0.384 0.000 0.788 428 P CB 0.535 31.770 31.700 -0.774 0.000 0.926 429 S N -2.325 113.397 115.700 0.035 0.000 3.025 429 S HA 0.120 4.593 4.470 0.005 0.000 0.251 429 S C -0.070 174.605 174.600 0.126 0.000 0.954 429 S CA -0.742 57.532 58.200 0.122 0.000 1.092 429 S CB -0.658 62.570 63.200 0.047 0.000 1.079 429 S HN 0.486 nan 8.310 nan 0.000 0.543 430 D N 1.527 122.018 120.400 0.151 0.000 2.360 430 D HA 0.203 4.846 4.640 0.005 0.000 0.242 430 D C -2.022 174.360 176.300 0.137 0.000 1.184 430 D CA -1.237 52.840 54.000 0.129 0.000 0.930 430 D CB 0.595 41.472 40.800 0.128 0.000 1.161 430 D HN -0.040 nan 8.370 nan 0.000 0.447 431 P HA -0.126 nan 4.420 nan 0.000 0.215 431 P C 1.420 178.764 177.300 0.073 0.000 1.153 431 P CA 1.658 64.793 63.100 0.058 0.000 0.853 431 P CB 0.030 31.750 31.700 0.034 0.000 0.788 432 T N -1.147 113.468 114.554 0.102 0.000 2.746 432 T HA -0.163 4.190 4.350 0.005 0.000 0.267 432 T C 1.453 176.241 174.700 0.146 0.000 1.039 432 T CA 1.061 63.226 62.100 0.109 0.000 1.142 432 T CB -0.966 67.977 68.868 0.125 0.000 0.866 432 T HN 0.023 nan 8.240 nan 0.000 0.444 433 F N 1.518 121.505 119.950 0.062 0.000 2.134 433 F HA 0.032 4.562 4.527 0.005 0.000 0.299 433 F C 1.872 177.693 175.800 0.034 0.000 1.097 433 F CA 1.091 59.138 58.000 0.078 0.000 1.264 433 F CB -0.363 38.697 39.000 0.100 0.000 1.001 433 F HN 0.053 nan 8.300 nan 0.000 0.479 434 L N -0.494 120.755 121.223 0.043 0.000 2.217 434 L HA -0.182 4.161 4.340 0.005 0.000 0.211 434 L C 2.474 179.263 176.870 -0.135 0.000 1.107 434 L CA 0.913 55.693 54.840 -0.100 0.000 0.783 434 L CB -0.749 41.277 42.059 -0.055 0.000 0.919 434 L HN -0.095 nan 8.230 nan 0.000 0.442 435 K N -0.087 120.268 120.400 -0.075 0.000 2.057 435 K HA -0.075 4.248 4.320 0.005 0.000 0.206 435 K C 2.157 178.702 176.600 -0.092 0.000 1.050 435 K CA 1.076 57.322 56.287 -0.069 0.000 0.935 435 K CB -0.327 32.159 32.500 -0.023 0.000 0.715 435 K HN 0.405 nan 8.250 nan 0.000 0.439 436 R N -0.038 120.396 120.500 -0.109 0.000 2.081 436 R HA -0.061 4.282 4.340 0.005 0.000 0.235 436 R C 2.362 178.567 176.300 -0.158 0.000 1.131 436 R CA 1.622 57.652 56.100 -0.118 0.000 0.960 436 R CB -0.677 29.542 30.300 -0.136 0.000 0.856 436 R HN 0.130 nan 8.270 nan 0.000 0.436 437 V N 1.089 120.847 119.914 -0.259 0.000 2.358 437 V HA -0.242 3.881 4.120 0.005 0.000 0.246 437 V C 2.323 178.318 176.094 -0.165 0.000 1.047 437 V CA 1.928 64.112 62.300 -0.193 0.000 1.035 437 V CB -0.493 31.174 31.823 -0.261 0.000 0.658 437 V HN 0.397 nan 8.190 nan 0.000 0.452 438 E N 0.342 120.430 120.200 -0.186 0.000 2.085 438 E HA -0.262 4.091 4.350 0.005 0.000 0.194 438 E C 2.254 178.754 176.600 -0.166 0.000 0.994 438 E CA 1.465 57.754 56.400 -0.184 0.000 0.801 438 E CB -0.244 29.366 29.700 -0.149 0.000 0.743 438 E HN 0.553 nan 8.360 nan 0.000 0.453 439 A N 1.839 124.582 122.820 -0.128 0.000 1.892 439 A HA -0.305 4.018 4.320 0.005 0.000 0.218 439 A C 2.084 179.602 177.584 -0.111 0.000 1.188 439 A CA 2.180 54.148 52.037 -0.115 0.000 0.631 439 A CB -0.878 18.070 19.000 -0.088 0.000 0.822 439 A HN 0.628 nan 8.150 nan 0.000 0.447 440 E N -0.236 119.915 120.200 -0.081 0.000 2.152 440 E HA 0.029 4.382 4.350 0.005 0.000 0.192 440 E C 1.976 178.498 176.600 -0.130 0.000 0.983 440 E CA 1.018 57.391 56.400 -0.045 0.000 0.818 440 E CB -0.355 29.393 29.700 0.081 0.000 0.758 440 E HN 0.479 nan 8.360 nan 0.000 0.467 441 A N 1.589 124.321 122.820 -0.147 0.000 1.855 441 A HA -0.056 4.267 4.320 0.005 0.000 0.215 441 A C 2.517 179.918 177.584 -0.305 0.000 1.191 441 A CA 1.324 53.258 52.037 -0.171 0.000 0.613 441 A CB -0.816 18.008 19.000 -0.293 0.000 0.829 441 A HN 0.176 nan 8.150 nan 0.000 0.442 442 V N -1.075 118.615 119.914 -0.373 0.000 2.282 442 V HA -0.323 3.800 4.120 0.005 0.000 0.249 442 V C 2.387 178.219 176.094 -0.436 0.000 1.057 442 V CA 2.386 64.326 62.300 -0.601 0.000 1.032 442 V CB -1.073 30.383 31.823 -0.612 0.000 0.645 442 V HN 0.714 nan 8.190 nan 0.000 0.447 443 Y N 1.605 121.684 120.300 -0.368 0.000 2.097 443 Y HA -0.227 4.326 4.550 0.005 0.000 0.282 443 Y C 2.538 178.273 175.900 -0.274 0.000 1.152 443 Y CA 2.178 60.102 58.100 -0.293 0.000 1.136 443 Y CB -0.381 37.931 38.460 -0.248 0.000 0.975 443 Y HN 0.275 nan 8.280 nan 0.000 0.498 444 N N 0.213 118.700 118.700 -0.354 0.000 2.300 444 N HA -0.094 4.648 4.740 0.005 0.000 0.179 444 N C 1.948 177.301 175.510 -0.262 0.000 1.016 444 N CA 1.446 54.256 53.050 -0.400 0.000 0.876 444 N CB -0.106 38.065 38.487 -0.527 0.000 0.979 444 N HN 0.433 nan 8.380 nan 0.000 0.432 445 I N 1.426 121.808 120.570 -0.313 0.000 2.142 445 I HA -0.245 3.928 4.170 0.005 0.000 0.240 445 I C 2.383 178.354 176.117 -0.242 0.000 1.078 445 I CA 1.196 62.350 61.300 -0.243 0.000 1.343 445 I CB -0.121 37.625 38.000 -0.423 0.000 1.046 445 I HN 0.021 nan 8.210 nan 0.000 0.405 446 R N 0.116 120.394 120.500 -0.369 0.000 2.096 446 R HA -0.171 4.172 4.340 0.005 0.000 0.235 446 R C 2.426 178.513 176.300 -0.356 0.000 1.127 446 R CA 1.195 57.080 56.100 -0.359 0.000 0.968 446 R CB -0.376 29.720 30.300 -0.340 0.000 0.861 446 R HN 0.291 nan 8.270 nan 0.000 0.440 447 R N 0.816 121.049 120.500 -0.446 0.000 2.105 447 R HA -0.101 4.242 4.340 0.005 0.000 0.239 447 R C 1.551 177.677 176.300 -0.290 0.000 1.135 447 R CA 1.370 57.220 56.100 -0.416 0.000 0.967 447 R CB 0.017 29.962 30.300 -0.592 0.000 0.861 447 R HN 0.213 nan 8.270 nan 0.000 0.442 448 L N 0.149 121.223 121.223 -0.249 0.000 2.638 448 L HA 0.170 4.513 4.340 0.005 0.000 0.232 448 L C 1.932 178.694 176.870 -0.181 0.000 1.099 448 L CA -0.091 54.612 54.840 -0.229 0.000 0.883 448 L CB 0.083 41.894 42.059 -0.413 0.000 1.136 448 L HN 0.154 nan 8.230 nan 0.000 0.492 449 R N -0.523 119.861 120.500 -0.194 0.000 2.316 449 R HA 0.005 4.348 4.340 0.005 0.000 0.202 449 R C 0.868 177.050 176.300 -0.197 0.000 1.029 449 R CA 0.686 56.696 56.100 -0.151 0.000 1.018 449 R CB -0.413 29.740 30.300 -0.246 0.000 0.888 449 R HN 0.308 nan 8.270 nan 0.000 0.471 450 N N 0.552 119.020 118.700 -0.388 0.000 2.336 450 N HA -0.006 4.737 4.740 0.005 0.000 0.189 450 N C -0.455 174.756 175.510 -0.498 0.000 1.113 450 N CA 0.179 52.925 53.050 -0.505 0.000 0.858 450 N CB 0.167 38.087 38.487 -0.945 0.000 0.970 450 N HN 0.307 nan 8.380 nan 0.000 0.471 451 H N 0.485 119.384 119.070 -0.284 0.000 2.690 451 H HA 0.182 4.741 4.556 0.005 0.000 0.314 451 H C 1.023 176.175 175.328 -0.294 0.000 1.069 451 H CA -0.219 55.689 56.048 -0.233 0.000 1.436 451 H CB 1.535 31.215 29.762 -0.136 0.000 1.462 451 H HN 0.061 nan 8.280 nan 0.000 0.511 452 A N 3.325 125.958 122.820 -0.312 0.000 1.978 452 A HA -0.219 4.104 4.320 0.005 0.000 0.220 452 A C 2.347 179.468 177.584 -0.771 0.000 1.170 452 A CA 1.940 53.545 52.037 -0.721 0.000 0.636 452 A CB -0.452 17.760 19.000 -1.312 0.000 0.810 452 A HN 0.730 nan 8.150 nan 0.000 0.448 453 S N -0.924 114.538 115.700 -0.398 0.000 2.428 453 S HA 0.064 4.537 4.470 0.005 0.000 0.230 453 S C 0.722 175.287 174.600 -0.059 0.000 1.014 453 S CA 0.406 58.500 58.200 -0.177 0.000 0.957 453 S CB -0.689 62.534 63.200 0.037 0.000 0.784 453 S HN 0.427 nan 8.310 nan 0.000 0.499 454 L N 1.980 123.195 121.223 -0.014 0.000 2.562 454 L HA 0.501 4.844 4.340 0.005 0.000 0.271 454 L C 0.826 177.652 176.870 -0.073 0.000 1.167 454 L CA 0.227 55.054 54.840 -0.022 0.000 0.917 454 L CB 0.368 42.370 42.059 -0.094 0.000 1.187 454 L HN 0.215 nan 8.230 nan 0.000 0.482 455 A N 6.428 129.223 122.820 -0.042 0.000 2.070 455 A HA 0.471 4.794 4.320 0.005 0.000 0.202 455 A C 0.417 178.049 177.584 0.079 0.000 1.277 455 A CA 0.808 52.879 52.037 0.056 0.000 0.872 455 A CB 0.084 19.161 19.000 0.129 0.000 0.933 455 A HN 0.775 nan 8.150 nan 0.000 0.475 456 M N -4.445 115.125 119.600 -0.050 0.000 2.895 456 M HA 0.629 5.112 4.480 0.005 0.000 0.271 456 M C -2.296 173.846 176.300 -0.263 0.000 1.174 456 M CA -0.666 54.606 55.300 -0.046 0.000 0.816 456 M CB 0.957 33.582 32.600 0.042 0.000 1.647 456 M HN 0.066 nan 8.290 nan 0.000 0.506 457 W N 0.585 121.870 121.300 -0.025 0.000 2.761 457 W HA 0.776 5.438 4.660 0.005 0.000 0.340 457 W C -1.131 175.321 176.519 -0.111 0.000 1.072 457 W CA -0.416 56.921 57.345 -0.014 0.000 1.215 457 W CB 2.073 31.646 29.460 0.188 0.000 1.420 457 W HN 0.886 nan 8.180 nan 0.000 0.519 458 C N 2.134 121.582 119.300 0.246 0.000 2.481 458 C HA 0.596 5.059 4.460 0.005 0.000 0.324 458 C C 1.438 176.643 174.990 0.357 0.000 1.170 458 C CA 0.035 59.108 59.018 0.092 0.000 1.361 458 C CB 0.394 28.310 27.740 0.294 0.000 1.977 458 C HN 0.991 nan 8.230 nan 0.000 0.459 459 G N 4.154 113.061 108.800 0.178 0.000 2.442 459 G HA2 0.049 4.012 3.960 0.005 0.000 0.219 459 G HA3 0.049 4.012 3.960 0.005 0.000 0.219 459 G C 0.286 175.462 174.900 0.460 0.000 1.141 459 G CA 1.416 46.869 45.100 0.587 0.000 0.763 459 G HN 1.121 nan 8.290 nan 0.000 0.554 460 N N -2.628 116.167 118.700 0.158 0.000 3.227 460 N HA 0.198 4.941 4.740 0.005 0.000 0.241 460 N C -1.635 173.939 175.510 0.107 0.000 1.480 460 N CA -0.923 52.186 53.050 0.099 0.000 0.886 460 N CB 0.551 38.867 38.487 -0.284 0.000 1.406 460 N HN -0.034 nan 8.380 nan 0.000 0.514 461 N N -0.034 118.735 118.700 0.115 0.000 2.457 461 N HA 0.269 5.012 4.740 0.005 0.000 0.250 461 N C -0.903 174.715 175.510 0.181 0.000 0.982 461 N CA -0.124 53.044 53.050 0.197 0.000 0.941 461 N CB 0.267 38.856 38.487 0.171 0.000 1.120 461 N HN 0.761 nan 8.380 nan 0.000 0.505 462 E N 1.379 121.637 120.200 0.097 0.000 3.496 462 E HA -0.270 4.083 4.350 0.005 0.000 0.300 462 E C 0.627 177.112 176.600 -0.192 0.000 0.877 462 E CA 0.638 57.025 56.400 -0.021 0.000 1.050 462 E CB -1.316 28.487 29.700 0.172 0.000 1.532 462 E HN 0.674 nan 8.360 nan 0.000 0.447 463 I N -0.030 120.492 120.570 -0.080 0.000 2.252 463 I HA -0.233 3.940 4.170 0.005 0.000 0.245 463 I C 2.440 178.438 176.117 -0.200 0.000 1.102 463 I CA 1.078 62.342 61.300 -0.060 0.000 1.385 463 I CB -0.219 37.838 38.000 0.095 0.000 1.064 463 I HN 0.150 nan 8.210 nan 0.000 0.414 464 L N 1.106 122.188 121.223 -0.234 0.000 2.017 464 L HA -0.217 4.126 4.340 0.005 0.000 0.208 464 L C 2.467 179.088 176.870 -0.415 0.000 1.073 464 L CA 1.903 56.492 54.840 -0.418 0.000 0.745 464 L CB -0.654 41.257 42.059 -0.247 0.000 0.894 464 L HN 0.235 nan 8.230 nan 0.000 0.432 465 E N -0.486 119.499 120.200 -0.359 0.000 2.049 465 E HA -0.302 4.051 4.350 0.005 0.000 0.198 465 E C 2.110 178.205 176.600 -0.842 0.000 1.007 465 E CA 1.474 57.645 56.400 -0.382 0.000 0.809 465 E CB -0.273 29.279 29.700 -0.246 0.000 0.749 465 E HN 0.615 nan 8.360 nan 0.000 0.450 466 A N 1.028 123.075 122.820 -1.289 0.000 1.873 466 A HA -0.224 4.099 4.320 0.005 0.000 0.218 466 A C 2.257 179.303 177.584 -0.896 0.000 1.193 466 A CA 1.766 52.893 52.037 -1.516 0.000 0.629 466 A CB -0.920 17.501 19.000 -0.965 0.000 0.826 466 A HN 0.367 nan 8.150 nan 0.000 0.447 467 L N -1.254 119.679 121.223 -0.483 0.000 2.201 467 L HA -0.177 4.166 4.340 0.005 0.000 0.212 467 L C 2.538 179.227 176.870 -0.301 0.000 1.105 467 L CA 1.607 56.304 54.840 -0.239 0.000 0.775 467 L CB -0.286 41.669 42.059 -0.173 0.000 0.913 467 L HN 0.386 nan 8.230 nan 0.000 0.440 468 K N -1.393 118.678 120.400 -0.548 0.000 2.137 468 K HA -0.038 4.284 4.320 0.005 0.000 0.202 468 K C 1.053 177.246 176.600 -0.679 0.000 1.052 468 K CA 1.035 56.880 56.287 -0.737 0.000 0.961 468 K CB 0.226 31.954 32.500 -1.285 0.000 0.741 468 K HN 0.179 nan 8.250 nan 0.000 0.452 469 Y N -2.842 117.314 120.300 -0.240 0.000 2.499 469 Y HA 0.119 4.672 4.550 0.005 0.000 0.253 469 Y C 0.621 176.543 175.900 0.036 0.000 1.105 469 Y CA -0.826 57.214 58.100 -0.101 0.000 1.240 469 Y CB 0.461 38.892 38.460 -0.049 0.000 1.289 469 Y HN 0.068 nan 8.280 nan 0.000 0.534 470 W N 0.258 121.380 121.300 -0.297 0.000 3.239 470 W HA 0.570 5.233 4.660 0.005 0.000 0.348 470 W C 1.274 177.625 176.519 -0.279 0.000 1.183 470 W CA 0.275 57.440 57.345 -0.300 0.000 1.819 470 W CB 0.029 29.297 29.460 -0.320 0.000 1.091 470 W HN 0.176 nan 8.180 nan 0.000 0.629 471 G N -1.082 107.672 108.800 -0.078 0.000 2.192 471 G HA2 -0.291 3.672 3.960 0.005 0.000 0.193 471 G HA3 -0.291 3.672 3.960 0.005 0.000 0.193 471 G C 0.814 175.812 174.900 0.163 0.000 0.999 471 G CA -0.005 45.121 45.100 0.044 0.000 0.659 471 G HN 0.019 nan 8.290 nan 0.000 0.503 472 F N 1.311 121.335 119.950 0.124 0.000 2.216 472 F HA 0.127 4.657 4.527 0.005 0.000 0.300 472 F C 2.225 178.018 175.800 -0.012 0.000 1.085 472 F CA 1.137 59.272 58.000 0.225 0.000 1.326 472 F CB -0.680 38.611 39.000 0.486 0.000 1.027 472 F HN 0.397 nan 8.300 nan 0.000 0.497 473 E N 0.446 120.493 120.200 -0.255 0.000 2.510 473 E HA -0.118 4.235 4.350 0.005 0.000 0.202 473 E C 1.578 178.074 176.600 -0.174 0.000 1.072 473 E CA 1.106 57.208 56.400 -0.498 0.000 0.883 473 E CB -0.079 29.228 29.700 -0.656 0.000 0.818 473 E HN 0.428 nan 8.360 nan 0.000 0.548 474 K N 0.390 120.747 120.400 -0.071 0.000 2.592 474 K HA 0.207 4.530 4.320 0.005 0.000 0.203 474 K C 0.887 177.436 176.600 -0.083 0.000 1.070 474 K CA -0.339 55.911 56.287 -0.062 0.000 1.062 474 K CB 0.338 nan 32.500 nan 0.000 0.814 474 K HN -0.083 nan 8.250 nan 0.000 0.502 475 K N -0.932 119.390 120.400 -0.130 0.000 2.464 475 K HA 0.369 4.692 4.320 0.005 0.000 0.206 475 K C -0.966 175.183 176.600 -0.752 0.000 1.186 475 K CA 0.166 56.201 56.287 -0.420 0.000 0.990 475 K CB 0.609 32.794 32.500 -0.525 0.000 1.003 475 K HN 0.308 nan 8.250 nan 0.000 0.562 476 F N 0.467 120.384 119.950 -0.055 0.000 2.613 476 F HA 0.160 4.689 4.527 0.005 0.000 0.314 476 F C 0.670 176.416 175.800 -0.089 0.000 1.075 476 F CA -1.238 56.689 58.000 -0.122 0.000 0.945 476 F CB 1.074 39.942 39.000 -0.219 0.000 1.310 476 F HN -0.169 nan 8.300 nan 0.000 0.467 477 T N -1.387 113.222 114.554 0.091 0.000 2.734 477 T HA 0.138 4.491 4.350 0.005 0.000 0.314 477 T C -2.104 172.635 174.700 0.064 0.000 1.057 477 T CA -0.955 61.171 62.100 0.044 0.000 1.047 477 T CB 0.724 69.604 68.868 0.020 0.000 0.991 477 T HN 0.307 nan 8.240 nan 0.000 0.540 478 P HA 0.019 nan 4.420 nan 0.000 0.217 478 P C 1.346 178.685 177.300 0.064 0.000 1.151 478 P CA 0.831 63.971 63.100 0.068 0.000 0.828 478 P CB 0.051 31.773 31.700 0.037 0.000 0.788 479 E N -0.717 119.500 120.200 0.028 0.000 2.051 479 E HA -0.117 4.236 4.350 0.005 0.000 0.192 479 E C 2.019 178.594 176.600 -0.042 0.000 0.991 479 E CA 1.011 57.415 56.400 0.007 0.000 0.799 479 E CB -1.256 28.451 29.700 0.011 0.000 0.748 479 E HN -0.014 nan 8.360 nan 0.000 0.449 480 V N 0.223 120.081 119.914 -0.094 0.000 2.358 480 V HA -0.242 3.881 4.120 0.005 0.000 0.246 480 V C 1.938 177.843 176.094 -0.315 0.000 1.047 480 V CA 1.702 63.826 62.300 -0.293 0.000 1.035 480 V CB -0.484 31.027 31.823 -0.520 0.000 0.658 480 V HN 0.324 nan 8.190 nan 0.000 0.452 481 Y N 0.801 120.956 120.300 -0.242 0.000 2.181 481 Y HA -0.236 4.317 4.550 0.005 0.000 0.288 481 Y C 2.673 178.465 175.900 -0.181 0.000 1.146 481 Y CA 1.738 59.725 58.100 -0.188 0.000 1.164 481 Y CB -0.108 38.327 38.460 -0.043 0.000 0.982 481 Y HN 0.203 nan 8.280 nan 0.000 0.515 482 Q N -0.273 119.424 119.800 -0.172 0.000 2.119 482 Q HA -0.091 4.252 4.340 0.005 0.000 0.201 482 Q C 2.523 178.300 176.000 -0.372 0.000 0.972 482 Q CA 1.306 56.922 55.803 -0.313 0.000 0.847 482 Q CB -1.008 27.646 28.738 -0.140 0.000 0.903 482 Q HN 0.644 nan 8.270 nan 0.000 0.433 483 G N 0.646 109.330 108.800 -0.193 0.000 2.418 483 G HA2 -0.186 3.777 3.960 0.005 0.000 0.217 483 G HA3 -0.186 3.777 3.960 0.005 0.000 0.217 483 G C 1.563 176.393 174.900 -0.116 0.000 1.158 483 G CA 0.400 45.452 45.100 -0.080 0.000 0.771 483 G HN 0.274 nan 8.290 nan 0.000 0.545 484 L N 0.061 121.136 121.223 -0.248 0.000 2.083 484 L HA -0.067 4.276 4.340 0.005 0.000 0.209 484 L C 3.091 179.859 176.870 -0.170 0.000 1.083 484 L CA 0.753 55.470 54.840 -0.204 0.000 0.752 484 L CB -0.314 41.534 42.059 -0.351 0.000 0.899 484 L HN 0.167 nan 8.230 nan 0.000 0.433 485 M N -1.154 118.222 119.600 -0.373 0.000 2.156 485 M HA -0.140 4.343 4.480 0.005 0.000 0.264 485 M C 2.388 178.622 176.300 -0.109 0.000 1.067 485 M CA 1.603 56.714 55.300 -0.316 0.000 1.131 485 M CB -1.266 31.019 32.600 -0.525 0.000 1.368 485 M HN 0.275 nan 8.290 nan 0.000 0.416 486 H N -0.331 118.710 119.070 -0.048 0.000 2.423 486 H HA 0.032 4.591 4.556 0.005 0.000 0.297 486 H C 2.254 177.589 175.328 0.012 0.000 1.075 486 H CA 1.515 57.556 56.048 -0.012 0.000 1.342 486 H CB -0.907 28.840 29.762 -0.025 0.000 1.395 486 H HN 0.418 nan 8.280 nan 0.000 0.530 487 G N -0.110 108.766 108.800 0.127 0.000 2.408 487 G HA2 -0.304 3.659 3.960 0.005 0.000 0.217 487 G HA3 -0.304 3.659 3.960 0.005 0.000 0.217 487 G C 1.711 176.662 174.900 0.085 0.000 1.150 487 G CA 0.590 45.745 45.100 0.092 0.000 0.776 487 G HN 0.407 nan 8.290 nan 0.000 0.542 488 Y N 1.950 122.295 120.300 0.075 0.000 2.053 488 Y HA -0.224 4.329 4.550 0.005 0.000 0.277 488 Y C 2.535 178.514 175.900 0.132 0.000 1.159 488 Y CA 2.331 60.546 58.100 0.193 0.000 1.125 488 Y CB -0.146 38.393 38.460 0.132 0.000 0.969 488 Y HN 0.205 nan 8.280 nan 0.000 0.492 489 D N -0.093 120.426 120.400 0.198 0.000 2.123 489 D HA -0.169 4.474 4.640 0.005 0.000 0.196 489 D C 2.076 178.325 176.300 -0.085 0.000 0.992 489 D CA 1.595 55.641 54.000 0.077 0.000 0.833 489 D CB -0.283 40.580 40.800 0.105 0.000 0.954 489 D HN 0.368 nan 8.370 nan 0.000 0.455 490 K N -0.324 120.020 120.400 -0.092 0.000 2.063 490 K HA -0.145 4.178 4.320 0.005 0.000 0.208 490 K C 1.889 178.319 176.600 -0.284 0.000 1.048 490 K CA 0.697 56.896 56.287 -0.147 0.000 0.928 490 K CB -0.063 32.377 32.500 -0.099 0.000 0.713 490 K HN 0.066 nan 8.250 nan 0.000 0.442 491 L N -0.775 120.172 121.223 -0.459 0.000 2.130 491 L HA 0.085 4.428 4.340 0.005 0.000 0.200 491 L C 1.518 177.873 176.870 -0.859 0.000 1.075 491 L CA 1.572 55.929 54.840 -0.804 0.000 0.768 491 L CB -0.220 41.096 42.059 -1.239 0.000 0.933 491 L HN -0.005 nan 8.230 nan 0.000 0.451 492 F N -0.395 119.269 119.950 -0.477 0.000 2.698 492 F HA 0.232 4.762 4.527 0.005 0.000 0.295 492 F C 2.070 177.786 175.800 -0.140 0.000 1.124 492 F CA 0.371 58.149 58.000 -0.370 0.000 1.426 492 F CB -0.192 38.406 39.000 -0.670 0.000 1.120 492 F HN -0.021 nan 8.300 nan 0.000 0.583 493 R N -0.517 119.944 120.500 -0.065 0.000 2.437 493 R HA 0.195 4.538 4.340 0.005 0.000 0.257 493 R C 0.725 176.964 176.300 -0.101 0.000 0.927 493 R CA 0.321 56.405 56.100 -0.026 0.000 1.078 493 R CB 0.393 30.679 30.300 -0.023 0.000 1.161 493 R HN 0.309 nan 8.270 nan 0.000 0.529 494 E N -0.220 119.874 120.200 -0.176 0.000 3.596 494 E HA 0.021 4.374 4.350 0.005 0.000 0.188 494 E C 1.165 177.610 176.600 -0.258 0.000 1.232 494 E CA -0.222 56.065 56.400 -0.188 0.000 1.460 494 E CB -0.093 29.515 29.700 -0.153 0.000 1.513 494 E HN -0.071 nan 8.360 nan 0.000 0.530 495 L N 1.906 122.949 121.223 -0.299 0.000 1.994 495 L HA -0.081 4.262 4.340 0.005 0.000 0.208 495 L C 2.007 178.624 176.870 -0.422 0.000 1.071 495 L CA 1.746 56.389 54.840 -0.327 0.000 0.745 495 L CB -0.421 41.431 42.059 -0.346 0.000 0.892 495 L HN 0.148 nan 8.230 nan 0.000 0.431 496 L N 0.143 121.042 121.223 -0.540 0.000 2.027 496 L HA -0.074 4.269 4.340 0.005 0.000 0.206 496 L C -0.192 176.169 176.870 -0.849 0.000 1.074 496 L CA 1.276 55.679 54.840 -0.728 0.000 0.745 496 L CB -2.100 39.499 42.059 -0.766 0.000 0.898 496 L HN 0.275 nan 8.230 nan 0.000 0.433 497 P HA -0.148 nan 4.420 nan 0.000 0.218 497 P C 1.656 178.666 177.300 -0.483 0.000 1.149 497 P CA 1.836 64.368 63.100 -0.947 0.000 0.817 497 P CB -0.017 31.329 31.700 -0.591 0.000 0.785 498 S N -0.924 114.559 115.700 -0.360 0.000 2.383 498 S HA -0.098 4.375 4.470 0.005 0.000 0.227 498 S C 1.968 176.443 174.600 -0.208 0.000 1.026 498 S CA 1.697 59.752 58.200 -0.242 0.000 0.981 498 S CB -1.921 61.162 63.200 -0.194 0.000 0.818 498 S HN 0.112 nan 8.310 nan 0.000 0.472 499 T N 2.223 116.638 114.554 -0.233 0.000 2.821 499 T HA 0.033 4.386 4.350 0.005 0.000 0.267 499 T C 1.896 176.543 174.700 -0.087 0.000 1.046 499 T CA 1.262 63.302 62.100 -0.100 0.000 1.139 499 T CB -0.505 68.239 68.868 -0.208 0.000 0.871 499 T HN 0.281 nan 8.240 nan 0.000 0.454 500 V N 1.225 120.984 119.914 -0.259 0.000 2.358 500 V HA -0.154 3.969 4.120 0.005 0.000 0.246 500 V C 2.686 178.702 176.094 -0.130 0.000 1.047 500 V CA 1.635 63.795 62.300 -0.234 0.000 1.035 500 V CB -0.578 31.084 31.823 -0.268 0.000 0.658 500 V HN 0.368 nan 8.190 nan 0.000 0.452 501 K N -0.439 119.866 120.400 -0.158 0.000 2.097 501 K HA -0.207 4.116 4.320 0.005 0.000 0.206 501 K C 2.168 178.679 176.600 -0.148 0.000 1.049 501 K CA 1.976 58.188 56.287 -0.124 0.000 0.933 501 K CB -0.284 32.136 32.500 -0.133 0.000 0.717 501 K HN 0.770 nan 8.250 nan 0.000 0.442 502 E N -1.876 118.201 120.200 -0.205 0.000 2.046 502 E HA -0.053 4.300 4.350 0.005 0.000 0.190 502 E C 1.473 177.759 176.600 -0.523 0.000 0.982 502 E CA 1.500 57.654 56.400 -0.410 0.000 0.800 502 E CB -0.034 29.305 29.700 -0.601 0.000 0.756 502 E HN 0.597 nan 8.360 nan 0.000 0.449 503 F N -0.514 119.341 119.950 -0.158 0.000 2.731 503 F HA 0.213 4.743 4.527 0.005 0.000 0.298 503 F C 0.617 176.286 175.800 -0.217 0.000 1.106 503 F CA -0.074 57.807 58.000 -0.198 0.000 1.329 503 F CB 0.938 39.793 39.000 -0.242 0.000 1.100 503 F HN -0.129 nan 8.300 nan 0.000 0.592 504 D N -0.706 119.699 120.400 0.009 0.000 2.945 504 D HA 0.100 4.743 4.640 0.005 0.000 0.340 504 D C 0.947 177.298 176.300 0.086 0.000 1.240 504 D CA 0.200 54.235 54.000 0.059 0.000 0.749 504 D CB 0.246 41.127 40.800 0.135 0.000 1.217 504 D HN 0.021 nan 8.370 nan 0.000 0.514 505 S N -0.833 114.904 115.700 0.060 0.000 2.515 505 S HA -0.057 4.416 4.470 0.005 0.000 0.231 505 S C 0.921 175.555 174.600 0.055 0.000 0.987 505 S CA 0.469 58.687 58.200 0.030 0.000 0.936 505 S CB 0.318 63.515 63.200 -0.006 0.000 0.766 505 S HN 0.169 nan 8.310 nan 0.000 0.528 506 D N 0.906 121.357 120.400 0.084 0.000 2.402 506 D HA 0.244 4.887 4.640 0.005 0.000 0.216 506 D C 0.096 176.458 176.300 0.102 0.000 1.128 506 D CA 0.004 54.048 54.000 0.074 0.000 0.833 506 D CB 0.369 41.200 40.800 0.051 0.000 0.971 506 D HN 0.361 nan 8.370 nan 0.000 0.503 507 R N 0.255 120.846 120.500 0.152 0.000 2.460 507 R HA 0.289 4.632 4.340 0.005 0.000 0.303 507 R C -0.372 176.083 176.300 0.259 0.000 0.968 507 R CA -0.794 55.432 56.100 0.211 0.000 0.889 507 R CB 1.482 31.960 30.300 0.297 0.000 1.123 507 R HN -0.139 nan 8.270 nan 0.000 0.455 508 F N 3.386 123.367 119.950 0.053 0.000 2.563 508 F HA 0.056 4.586 4.527 0.006 0.000 0.363 508 F C -0.756 175.138 175.800 0.157 0.000 1.123 508 F CA 0.362 58.366 58.000 0.007 0.000 1.307 508 F CB 0.296 39.182 39.000 -0.189 0.000 1.115 508 F HN 0.417 nan 8.300 nan 0.000 0.592 509 Y N 6.082 125.960 120.300 -0.703 0.000 2.425 509 Y HA 0.612 5.165 4.550 0.005 0.000 0.344 509 Y C -1.835 173.482 175.900 -0.972 0.000 0.969 509 Y CA -1.091 56.701 58.100 -0.514 0.000 1.052 509 Y CB 1.537 39.893 38.460 -0.173 0.000 1.215 509 Y HN 0.552 nan 8.280 nan 0.000 0.451 510 V N 6.397 125.537 119.914 -1.290 0.000 2.735 510 V HA 0.283 4.406 4.120 0.005 0.000 0.310 510 V C 0.079 175.592 176.094 -0.970 0.000 1.061 510 V CA -0.394 61.374 62.300 -0.888 0.000 0.913 510 V CB 1.600 33.201 31.823 -0.371 0.000 1.005 510 V HN 1.052 nan 8.190 nan 0.000 0.428 511 H N 3.058 121.872 119.070 -0.426 0.000 2.495 511 H HA 0.399 4.958 4.556 0.005 0.000 0.287 511 H C 0.745 176.048 175.328 -0.043 0.000 1.033 511 H CA 0.916 56.886 56.048 -0.130 0.000 1.307 511 H CB 0.212 30.087 29.762 0.189 0.000 1.401 511 H HN 0.549 nan 8.280 nan 0.000 0.555 512 S N -0.839 114.566 115.700 -0.492 0.000 2.552 512 S HA 0.459 4.932 4.470 0.005 0.000 0.272 512 S C -1.561 172.990 174.600 -0.082 0.000 1.150 512 S CA -0.569 57.503 58.200 -0.213 0.000 0.849 512 S CB 1.675 64.790 63.200 -0.141 0.000 1.113 512 S HN 0.380 nan 8.310 nan 0.000 0.458 513 S N 3.395 119.133 115.700 0.063 0.000 2.552 513 S HA 0.737 5.209 4.470 0.005 0.000 0.314 513 S C -2.923 171.539 174.600 -0.231 0.000 1.099 513 S CA -1.592 56.682 58.200 0.123 0.000 1.070 513 S CB 1.423 64.934 63.200 0.518 0.000 0.998 513 S HN 0.543 nan 8.310 nan 0.000 0.474 514 P HA 0.181 nan 4.420 nan 0.000 0.279 514 P C 0.030 177.252 177.300 -0.129 0.000 1.239 514 P CA -0.421 62.525 63.100 -0.256 0.000 0.789 514 P CB 0.405 31.955 31.700 -0.251 0.000 0.933 515 Y N 2.719 122.945 120.300 -0.123 0.000 2.395 515 Y HA 0.095 4.647 4.550 0.005 0.000 0.293 515 Y C 1.243 177.141 175.900 -0.003 0.000 1.123 515 Y CA 0.995 59.009 58.100 -0.143 0.000 1.227 515 Y CB -0.261 38.091 38.460 -0.179 0.000 1.012 515 Y HN 0.157 nan 8.280 nan 0.000 0.552 516 L N -0.306 120.776 121.223 -0.235 0.000 2.753 516 L HA 0.565 4.908 4.340 0.005 0.000 0.238 516 L C 0.685 177.552 176.870 -0.004 0.000 1.028 516 L CA 0.719 55.537 54.840 -0.038 0.000 0.966 516 L CB -0.576 41.486 42.059 0.005 0.000 1.681 516 L HN 0.184 nan 8.230 nan 0.000 0.511 517 A N 2.112 124.883 122.820 -0.081 0.000 2.477 517 A HA 0.289 4.612 4.320 0.005 0.000 0.246 517 A C -0.002 177.677 177.584 0.158 0.000 1.078 517 A CA 0.083 52.176 52.037 0.093 0.000 0.770 517 A CB -0.143 18.930 19.000 0.121 0.000 1.011 517 A HN 0.538 nan 8.150 nan 0.000 0.494 518 N N 2.656 121.487 118.700 0.217 0.000 2.295 518 N HA 0.144 4.887 4.740 0.005 0.000 0.293 518 N C 0.746 176.464 175.510 0.347 0.000 1.040 518 N CA -0.667 52.465 53.050 0.137 0.000 0.840 518 N CB 1.025 39.355 38.487 -0.263 0.000 1.468 518 N HN 0.870 nan 8.380 nan 0.000 0.478 519 W N 3.191 124.679 121.300 0.314 0.000 2.465 519 W HA 0.125 4.788 4.660 0.005 0.000 0.268 519 W C 0.606 177.419 176.519 0.489 0.000 1.242 519 W CA 0.785 58.386 57.345 0.427 0.000 1.248 519 W CB -0.551 29.091 29.460 0.303 0.000 1.118 519 W HN 0.562 nan 8.180 nan 0.000 0.587 520 G N 1.206 109.917 108.800 -0.148 0.000 2.985 520 G HA2 0.061 4.024 3.960 0.005 0.000 0.209 520 G HA3 0.061 4.024 3.960 0.005 0.000 0.209 520 G C 0.651 175.467 174.900 -0.140 0.000 1.165 520 G CA -0.537 44.410 45.100 -0.255 0.000 0.776 520 G HN 0.134 nan 8.290 nan 0.000 0.541 521 R N 0.100 120.524 120.500 -0.127 0.000 2.513 521 R HA 0.244 4.587 4.340 0.005 0.000 0.283 521 R C -2.069 173.784 176.300 -0.745 0.000 1.535 521 R CA -1.536 54.368 56.100 -0.326 0.000 1.315 521 R CB 1.987 32.120 30.300 -0.277 0.000 1.163 521 R HN -0.046 nan 8.270 nan 0.000 0.573 522 P HA -0.278 nan 4.420 nan 0.000 0.216 522 P C 1.118 177.819 177.300 -0.999 0.000 1.150 522 P CA 1.233 63.169 63.100 -1.940 0.000 0.843 522 P CB 0.300 31.353 31.700 -1.078 0.000 0.787 523 E N 0.065 119.950 120.200 -0.526 0.000 2.265 523 E HA -0.145 4.208 4.350 0.005 0.000 0.196 523 E C 1.509 178.018 176.600 -0.151 0.000 0.996 523 E CA 1.817 58.068 56.400 -0.249 0.000 0.832 523 E CB -0.909 28.694 29.700 -0.161 0.000 0.756 523 E HN 0.351 nan 8.360 nan 0.000 0.491 524 S N -0.831 114.750 115.700 -0.197 0.000 2.548 524 S HA 0.017 4.490 4.470 0.005 0.000 0.215 524 S C 1.286 175.983 174.600 0.163 0.000 0.976 524 S CA -0.433 57.760 58.200 -0.011 0.000 0.908 524 S CB -0.553 62.654 63.200 0.012 0.000 0.781 524 S HN 0.267 nan 8.310 nan 0.000 0.519 525 W N 2.390 123.733 121.300 0.072 0.000 2.525 525 W HA 0.341 5.004 4.660 0.004 0.000 0.259 525 W C 1.993 178.585 176.519 0.122 0.000 1.253 525 W CA 0.128 57.532 57.345 0.099 0.000 1.262 525 W CB -1.245 28.297 29.460 0.137 0.000 1.122 525 W HN 0.532 nan 8.180 nan 0.000 0.607 526 G N -0.492 108.508 108.800 0.334 0.000 3.181 526 G HA2 0.068 4.031 3.960 0.005 0.000 0.219 526 G HA3 0.068 4.031 3.960 0.005 0.000 0.219 526 G C -0.055 174.918 174.900 0.121 0.000 1.182 526 G CA 0.109 45.350 45.100 0.235 0.000 0.791 526 G HN -0.003 nan 8.290 nan 0.000 0.537 527 T N 0.942 115.560 114.554 0.106 0.000 2.893 527 T HA 0.582 4.935 4.350 0.005 0.000 0.324 527 T C 0.794 175.431 174.700 -0.106 0.000 1.082 527 T CA 0.253 62.387 62.100 0.057 0.000 0.983 527 T CB 1.242 70.151 68.868 0.068 0.000 1.005 527 T HN 0.836 nan 8.240 nan 0.000 0.475 528 G N 4.126 112.918 108.800 -0.013 0.000 2.569 528 G HA2 -0.193 3.770 3.960 0.005 0.000 0.259 528 G HA3 -0.193 3.770 3.960 0.005 0.000 0.259 528 G C -0.599 174.158 174.900 -0.239 0.000 1.263 528 G CA -0.085 44.912 45.100 -0.172 0.000 0.928 528 G HN 0.874 nan 8.290 nan 0.000 0.572 529 D N -0.053 120.038 120.400 -0.515 0.000 2.253 529 D HA 0.595 5.238 4.640 0.005 0.000 0.249 529 D C -0.236 176.014 176.300 -0.085 0.000 1.049 529 D CA 0.080 53.905 54.000 -0.292 0.000 0.929 529 D CB 1.583 42.082 40.800 -0.501 0.000 1.176 529 D HN 0.452 nan 8.370 nan 0.000 0.437 530 S N -0.090 115.653 115.700 0.071 0.000 2.503 530 S HA 0.251 4.724 4.470 0.005 0.000 0.301 530 S C -0.649 174.127 174.600 0.292 0.000 1.087 530 S CA -0.691 57.579 58.200 0.117 0.000 1.042 530 S CB 0.982 64.174 63.200 -0.014 0.000 1.043 530 S HN 0.388 nan 8.310 nan 0.000 0.489 531 H N 2.702 121.855 119.070 0.139 0.000 2.741 531 H HA 0.193 4.752 4.556 0.005 0.000 0.261 531 H C -0.284 175.117 175.328 0.122 0.000 1.365 531 H CA -0.537 55.614 56.048 0.173 0.000 1.266 531 H CB 0.294 30.301 29.762 0.409 0.000 1.485 531 H HN 0.348 nan 8.280 nan 0.000 0.529 532 N N 3.068 121.743 118.700 -0.041 0.000 2.482 532 N HA -0.035 4.708 4.740 0.005 0.000 0.242 532 N C -0.507 174.805 175.510 -0.329 0.000 1.100 532 N CA -0.358 52.633 53.050 -0.098 0.000 0.946 532 N CB 0.130 38.485 38.487 -0.219 0.000 1.227 532 N HN 0.521 nan 8.380 nan 0.000 0.508 533 W N 2.070 123.156 121.300 -0.356 0.000 3.151 533 W HA 0.393 5.056 4.660 0.005 0.000 0.424 533 W C 1.749 177.626 176.519 -1.070 0.000 1.012 533 W CA -0.727 56.296 57.345 -0.537 0.000 2.018 533 W CB 0.456 29.697 29.460 -0.366 0.000 1.087 533 W HN 0.649 nan 8.180 nan 0.000 0.740 534 G N 0.265 108.699 108.800 -0.611 0.000 2.418 534 G HA2 -0.171 3.792 3.960 0.005 0.000 0.217 534 G HA3 -0.171 3.792 3.960 0.005 0.000 0.217 534 G C 0.621 175.475 174.900 -0.077 0.000 1.158 534 G CA 0.491 45.391 45.100 -0.333 0.000 0.771 534 G HN -0.030 nan 8.290 nan 0.000 0.545 535 V N 0.867 120.800 119.914 0.032 0.000 2.614 535 V HA 0.241 4.364 4.120 0.005 0.000 0.291 535 V C 0.858 177.156 176.094 0.340 0.000 1.049 535 V CA -0.029 62.380 62.300 0.182 0.000 1.038 535 V CB 0.620 32.560 31.823 0.196 0.000 0.980 535 V HN 0.613 nan 8.190 nan 0.000 0.481 536 W N 3.644 125.040 121.300 0.160 0.000 1.401 536 W HA -0.394 4.269 4.660 0.005 0.000 0.255 536 W C 1.374 177.871 176.519 -0.037 0.000 1.582 536 W CA 1.899 59.262 57.345 0.030 0.000 1.965 536 W CB -1.455 28.083 29.460 0.130 0.000 1.231 536 W HN 0.595 nan 8.180 nan 0.000 0.440 537 Y N 1.158 121.570 120.300 0.186 0.000 2.242 537 Y HA 0.079 4.631 4.550 0.005 0.000 0.291 537 Y C 2.664 178.545 175.900 -0.032 0.000 1.137 537 Y CA 2.531 60.631 58.100 0.001 0.000 1.181 537 Y CB -1.263 37.236 38.460 0.067 0.000 0.989 537 Y HN 0.261 nan 8.280 nan 0.000 0.527 538 G N -0.715 108.051 108.800 -0.058 0.000 2.985 538 G HA2 -0.021 3.942 3.960 0.005 0.000 0.209 538 G HA3 -0.021 3.942 3.960 0.005 0.000 0.209 538 G C 0.699 175.678 174.900 0.132 0.000 1.165 538 G CA 0.061 45.251 45.100 0.149 0.000 0.776 538 G HN 0.321 nan 8.290 nan 0.000 0.541 539 K N -0.806 119.642 120.400 0.080 0.000 3.193 539 K HA -0.199 4.124 4.320 0.005 0.000 0.294 539 K C 0.196 176.771 176.600 -0.042 0.000 1.185 539 K CA 0.848 57.158 56.287 0.039 0.000 0.866 539 K CB -1.019 31.450 32.500 -0.051 0.000 1.227 539 K HN 0.421 nan 8.250 nan 0.000 0.467 540 K N 1.495 121.933 120.400 0.063 0.000 2.326 540 K HA 0.120 4.443 4.320 0.005 0.000 0.275 540 K C -2.132 174.430 176.600 -0.063 0.000 1.018 540 K CA -1.426 54.872 56.287 0.019 0.000 0.962 540 K CB 0.291 32.845 32.500 0.090 0.000 0.953 540 K HN -0.079 nan 8.250 nan 0.000 0.475 541 P HA -0.048 nan 4.420 nan 0.000 0.270 541 P C 0.114 177.395 177.300 -0.032 0.000 1.223 541 P CA 0.045 63.051 63.100 -0.156 0.000 0.785 541 P CB 0.329 31.982 31.700 -0.079 0.000 0.923 542 F N 0.264 120.283 119.950 0.115 0.000 2.269 542 F HA -0.148 4.382 4.527 0.005 0.000 0.301 542 F C 2.168 178.043 175.800 0.125 0.000 1.082 542 F CA 1.515 59.575 58.000 0.101 0.000 1.360 542 F CB -1.053 37.952 39.000 0.008 0.000 1.041 542 F HN 0.309 nan 8.300 nan 0.000 0.512 543 E N 0.016 120.351 120.200 0.225 0.000 2.204 543 E HA -0.172 4.181 4.350 0.005 0.000 0.195 543 E C 2.321 179.021 176.600 0.167 0.000 0.990 543 E CA 1.276 57.792 56.400 0.194 0.000 0.821 543 E CB -0.509 29.246 29.700 0.092 0.000 0.750 543 E HN 0.377 nan 8.360 nan 0.000 0.477 544 S N 0.134 115.911 115.700 0.128 0.000 2.442 544 S HA -0.130 4.343 4.470 0.005 0.000 0.236 544 S C 1.823 176.466 174.600 0.072 0.000 1.007 544 S CA 0.687 58.948 58.200 0.101 0.000 0.965 544 S CB -0.382 62.875 63.200 0.096 0.000 0.773 544 S HN 0.244 nan 8.310 nan 0.000 0.504 545 L N 1.152 122.424 121.223 0.082 0.000 2.362 545 L HA -0.007 4.336 4.340 0.005 0.000 0.219 545 L C 1.917 178.742 176.870 -0.074 0.000 1.134 545 L CA 0.871 55.699 54.840 -0.020 0.000 0.807 545 L CB -0.484 41.542 42.059 -0.055 0.000 0.927 545 L HN 0.244 nan 8.230 nan 0.000 0.447 546 D N -0.687 119.701 120.400 -0.020 0.000 2.234 546 D HA -0.102 4.541 4.640 0.005 0.000 0.205 546 D C 2.165 178.455 176.300 -0.017 0.000 0.962 546 D CA 1.853 55.819 54.000 -0.056 0.000 0.855 546 D CB 0.186 40.995 40.800 0.015 0.000 0.951 546 D HN 0.404 nan 8.370 nan 0.000 0.500 547 T N -2.514 112.057 114.554 0.029 0.000 3.000 547 T HA 0.029 4.382 4.350 0.005 0.000 0.248 547 T C 0.428 175.183 174.700 0.091 0.000 1.034 547 T CA -0.223 61.912 62.100 0.058 0.000 1.060 547 T CB 0.289 69.213 68.868 0.093 0.000 0.983 547 T HN -0.264 nan 8.240 nan 0.000 0.482 548 D N 2.223 122.648 120.400 0.043 0.000 2.524 548 D HA 0.448 5.090 4.640 0.005 0.000 0.222 548 D C -0.647 175.543 176.300 -0.183 0.000 1.142 548 D CA -0.134 53.829 54.000 -0.061 0.000 0.973 548 D CB 0.494 41.111 40.800 -0.305 0.000 1.025 548 D HN 0.436 nan 8.370 nan 0.000 0.519 549 L N 3.274 124.510 121.223 0.021 0.000 2.322 549 L HA 0.522 4.865 4.340 0.005 0.000 0.279 549 L C -2.070 174.911 176.870 0.184 0.000 1.036 549 L CA -1.573 53.311 54.840 0.073 0.000 0.807 549 L CB 1.882 43.986 42.059 0.075 0.000 1.226 549 L HN 0.077 nan 8.230 nan 0.000 0.433 550 P HA 0.411 nan 4.420 nan 0.000 0.288 550 P C -0.439 176.947 177.300 0.144 0.000 1.300 550 P CA -0.773 62.384 63.100 0.096 0.000 0.910 550 P CB 1.756 33.384 31.700 -0.120 0.000 1.256 551 R N -0.169 120.365 120.500 0.057 0.000 2.148 551 R HA 0.187 4.530 4.340 0.005 0.000 0.223 551 R C 0.275 176.684 176.300 0.182 0.000 1.088 551 R CA 0.876 56.977 56.100 0.001 0.000 0.985 551 R CB -0.829 29.482 30.300 0.019 0.000 0.880 551 R HN 0.578 nan 8.270 nan 0.000 0.451 552 F N -0.166 119.780 119.950 -0.006 0.000 2.670 552 F HA 0.285 4.815 4.527 0.004 0.000 0.332 552 F C -1.231 174.519 175.800 -0.083 0.000 1.179 552 F CA -1.204 56.803 58.000 0.010 0.000 1.076 552 F CB 1.302 40.441 39.000 0.232 0.000 1.322 552 F HN -0.245 nan 8.300 nan 0.000 0.515 553 M N 5.294 124.704 119.600 -0.317 0.000 2.151 553 M HA 0.250 4.733 4.480 0.005 0.000 0.349 553 M C 0.383 176.690 176.300 0.012 0.000 1.284 553 M CA 0.271 55.431 55.300 -0.233 0.000 1.173 553 M CB 0.720 32.933 32.600 -0.646 0.000 1.469 553 M HN 0.535 nan 8.290 nan 0.000 0.439 554 S N 2.452 118.287 115.700 0.224 0.000 2.524 554 S HA 0.296 4.769 4.470 0.005 0.000 0.216 554 S C 0.027 174.580 174.600 -0.078 0.000 0.987 554 S CA -0.133 58.155 58.200 0.147 0.000 0.909 554 S CB -0.110 63.162 63.200 0.121 0.000 0.781 554 S HN 0.741 nan 8.310 nan 0.000 0.521 555 E N 0.104 120.249 120.200 -0.091 0.000 2.335 555 E HA 0.582 4.935 4.350 0.005 0.000 0.280 555 E C -1.613 174.902 176.600 -0.142 0.000 0.918 555 E CA -0.796 55.535 56.400 -0.115 0.000 0.765 555 E CB 2.365 31.891 29.700 -0.290 0.000 1.218 555 E HN 0.436 nan 8.360 nan 0.000 0.425 556 F N -0.612 119.062 119.950 -0.461 0.000 2.703 556 F HA 0.835 5.365 4.527 0.005 0.000 0.308 556 F C -0.686 174.795 175.800 -0.532 0.000 1.126 556 F CA -0.588 56.937 58.000 -0.791 0.000 0.959 556 F CB 1.633 40.410 39.000 -0.371 0.000 1.297 556 F HN 0.571 nan 8.300 nan 0.000 0.441 557 G N 0.921 109.253 108.800 -0.780 0.000 2.559 557 G HA2 0.597 4.560 3.960 0.005 0.000 0.291 557 G HA3 0.597 4.560 3.960 0.005 0.000 0.291 557 G C -2.801 172.307 174.900 0.347 0.000 1.424 557 G CA -0.873 44.108 45.100 -0.199 0.000 0.786 557 G HN 1.078 nan 8.290 nan 0.000 0.485 558 F N -0.019 120.082 119.950 0.252 0.000 2.635 558 F HA 0.543 5.073 4.527 0.005 0.000 0.314 558 F C -0.294 175.327 175.800 -0.299 0.000 1.119 558 F CA -0.648 57.395 58.000 0.070 0.000 1.000 558 F CB 2.060 41.143 39.000 0.139 0.000 1.278 558 F HN 0.534 nan 8.300 nan 0.000 0.446 559 Q N 2.432 121.356 119.800 -1.460 0.000 2.260 559 Q HA 0.675 5.018 4.340 0.005 0.000 0.238 559 Q C -0.929 174.702 176.000 -0.616 0.000 0.948 559 Q CA -0.540 54.469 55.803 -1.322 0.000 0.895 559 Q CB 1.843 29.470 28.738 -1.853 0.000 1.218 559 Q HN 0.703 nan 8.270 nan 0.000 0.470 560 S N 0.156 115.587 115.700 -0.448 0.000 2.541 560 S HA 0.510 4.983 4.470 0.005 0.000 0.271 560 S C -0.852 173.641 174.600 -0.178 0.000 1.133 560 S CA -0.884 57.193 58.200 -0.204 0.000 0.876 560 S CB 0.546 63.639 63.200 -0.178 0.000 1.105 560 S HN 0.422 nan 8.310 nan 0.000 0.470 561 F N 2.903 122.751 119.950 -0.170 0.000 2.563 561 F HA 0.331 4.860 4.527 0.005 0.000 0.363 561 F C -1.407 174.322 175.800 -0.119 0.000 1.123 561 F CA -0.877 57.066 58.000 -0.096 0.000 1.307 561 F CB 0.665 39.647 39.000 -0.030 0.000 1.115 561 F HN 0.434 nan 8.300 nan 0.000 0.592 562 P HA 0.074 nan 4.420 nan 0.000 0.276 562 P C -1.000 176.354 177.300 0.091 0.000 1.261 562 P CA -0.585 62.547 63.100 0.053 0.000 0.800 562 P CB 0.566 32.315 31.700 0.081 0.000 1.066 563 E N 0.524 120.777 120.200 0.089 0.000 2.428 563 E HA 0.013 4.366 4.350 0.005 0.000 0.257 563 E C 1.047 177.707 176.600 0.100 0.000 1.197 563 E CA -0.557 55.915 56.400 0.119 0.000 0.974 563 E CB 0.080 29.920 29.700 0.234 0.000 0.976 563 E HN 0.154 nan 8.360 nan 0.000 0.463 564 M N 1.148 120.797 119.600 0.081 0.000 2.149 564 M HA -0.173 4.310 4.480 0.005 0.000 0.261 564 M C 2.051 178.327 176.300 -0.040 0.000 1.064 564 M CA 2.090 57.375 55.300 -0.025 0.000 1.102 564 M CB -1.256 31.330 32.600 -0.024 0.000 1.369 564 M HN 0.690 nan 8.290 nan 0.000 0.408 565 K N -1.398 119.020 120.400 0.029 0.000 2.283 565 K HA -0.059 4.264 4.320 0.005 0.000 0.202 565 K C 1.633 178.223 176.600 -0.017 0.000 1.048 565 K CA 1.551 57.840 56.287 0.003 0.000 0.948 565 K CB -0.596 31.913 32.500 0.015 0.000 0.742 565 K HN 0.165 nan 8.250 nan 0.000 0.458 566 T N 1.971 116.563 114.554 0.062 0.000 2.851 566 T HA 0.071 4.424 4.350 0.005 0.000 0.262 566 T C 1.920 176.682 174.700 0.104 0.000 1.043 566 T CA 0.880 63.098 62.100 0.196 0.000 1.140 566 T CB -0.154 68.919 68.868 0.343 0.000 0.872 566 T HN 0.149 nan 8.240 nan 0.000 0.446 567 I N 1.673 122.191 120.570 -0.087 0.000 2.194 567 I HA -0.246 3.927 4.170 0.005 0.000 0.246 567 I C 2.791 178.440 176.117 -0.781 0.000 1.093 567 I CA 1.332 62.282 61.300 -0.583 0.000 1.355 567 I CB -0.424 37.398 38.000 -0.298 0.000 1.046 567 I HN 0.193 nan 8.210 nan 0.000 0.413 568 A N 0.376 122.988 122.820 -0.346 0.000 2.172 568 A HA 0.037 4.360 4.320 0.005 0.000 0.216 568 A C 2.409 179.974 177.584 -0.032 0.000 1.154 568 A CA 1.358 53.346 52.037 -0.081 0.000 0.701 568 A CB -0.536 18.509 19.000 0.074 0.000 0.789 568 A HN 0.452 nan 8.150 nan 0.000 0.465 569 A N -0.442 122.353 122.820 -0.041 0.000 2.067 569 A HA 0.193 4.516 4.320 0.005 0.000 0.217 569 A C 1.550 179.332 177.584 0.331 0.000 1.156 569 A CA 1.230 53.387 52.037 0.200 0.000 0.683 569 A CB -0.571 18.611 19.000 0.303 0.000 0.808 569 A HN 0.806 nan 8.150 nan 0.000 0.455 570 F N -2.417 117.508 119.950 -0.041 0.000 2.721 570 F HA 0.714 5.244 4.527 0.005 0.000 0.301 570 F C 0.615 175.985 175.800 -0.718 0.000 1.096 570 F CA -0.801 57.023 58.000 -0.294 0.000 1.308 570 F CB -0.422 38.106 39.000 -0.786 0.000 1.086 570 F HN 0.169 nan 8.300 nan 0.000 0.587 571 A N 0.684 123.174 122.820 -0.549 0.000 2.475 571 A HA 0.866 5.189 4.320 0.005 0.000 0.301 571 A C -0.531 177.021 177.584 -0.053 0.000 1.059 571 A CA -0.514 51.289 52.037 -0.390 0.000 0.710 571 A CB 0.754 19.572 19.000 -0.303 0.000 1.288 571 A HN 0.375 nan 8.150 nan 0.000 0.408 572 A N 2.107 124.896 122.820 -0.051 0.000 2.304 572 A HA 0.706 5.029 4.320 0.005 0.000 0.271 572 A C -1.498 175.854 177.584 -0.388 0.000 1.091 572 A CA -1.475 50.523 52.037 -0.066 0.000 0.812 572 A CB -0.047 18.948 19.000 -0.007 0.000 1.056 572 A HN 0.546 nan 8.150 nan 0.000 0.489 573 P HA -0.166 nan 4.420 nan 0.000 0.223 573 P C 0.671 177.515 177.300 -0.760 0.000 1.144 573 P CA 1.160 63.473 63.100 -1.312 0.000 0.783 573 P CB 0.110 31.397 31.700 -0.687 0.000 0.771 574 E N 0.249 120.219 120.200 -0.384 0.000 2.153 574 E HA -0.157 4.196 4.350 0.005 0.000 0.194 574 E C 1.248 177.743 176.600 -0.175 0.000 0.988 574 E CA 0.956 57.227 56.400 -0.214 0.000 0.811 574 E CB -1.128 28.500 29.700 -0.120 0.000 0.746 574 E HN 0.384 nan 8.360 nan 0.000 0.466 575 D N -0.123 120.178 120.400 -0.165 0.000 2.342 575 D HA -0.009 4.634 4.640 0.005 0.000 0.221 575 D C -0.366 175.911 176.300 -0.038 0.000 1.101 575 D CA -0.138 53.817 54.000 -0.075 0.000 0.837 575 D CB 0.161 40.935 40.800 -0.044 0.000 0.938 575 D HN 0.086 nan 8.370 nan 0.000 0.508 576 Y N 1.982 122.100 120.300 -0.303 0.000 3.028 576 Y HA 0.141 4.694 4.550 0.005 0.000 0.381 576 Y C 0.719 176.086 175.900 -0.887 0.000 1.139 576 Y CA -0.045 57.730 58.100 -0.542 0.000 2.013 576 Y CB -0.701 37.592 38.460 -0.279 0.000 2.146 576 Y HN -0.111 nan 8.280 nan 0.000 0.412 577 Q N -0.221 119.184 119.800 -0.658 0.000 2.397 577 Q HA 0.329 4.672 4.340 0.005 0.000 0.275 577 Q C 1.158 176.858 176.000 -0.500 0.000 1.090 577 Q CA -0.741 54.705 55.803 -0.596 0.000 0.809 577 Q CB 2.324 30.922 28.738 -0.234 0.000 1.362 577 Q HN 0.423 nan 8.270 nan 0.000 0.431 578 I N 0.533 120.959 120.570 -0.240 0.000 2.423 578 I HA -0.248 3.925 4.170 0.005 0.000 0.254 578 I C 0.968 177.157 176.117 0.120 0.000 1.151 578 I CA 1.430 62.784 61.300 0.090 0.000 1.421 578 I CB 0.286 38.285 38.000 -0.003 0.000 1.079 578 I HN 0.436 nan 8.210 nan 0.000 0.431 579 E N 0.284 120.492 120.200 0.015 0.000 2.734 579 E HA 0.139 4.492 4.350 0.005 0.000 0.211 579 E C 0.501 177.112 176.600 0.018 0.000 0.991 579 E CA 0.004 56.427 56.400 0.039 0.000 1.065 579 E CB 0.348 30.062 29.700 0.024 0.000 1.047 579 E HN 0.375 nan 8.360 nan 0.000 0.470 580 S N 0.125 115.821 115.700 -0.007 0.000 2.592 580 S HA 0.120 4.593 4.470 0.005 0.000 0.256 580 S C 1.433 176.059 174.600 0.044 0.000 1.369 580 S CA 0.386 58.586 58.200 -0.001 0.000 0.984 580 S CB 0.868 64.050 63.200 -0.031 0.000 0.919 580 S HN 0.293 nan 8.310 nan 0.000 0.576 581 E N 0.231 120.459 120.200 0.046 0.000 2.046 581 E HA -0.018 4.335 4.350 0.005 0.000 0.190 581 E C 2.149 178.815 176.600 0.110 0.000 0.982 581 E CA 1.387 57.829 56.400 0.069 0.000 0.800 581 E CB -1.381 nan 29.700 nan 0.000 0.756 581 E HN 0.576 nan 8.360 nan 0.000 0.449 582 V N 0.234 120.215 119.914 0.111 0.000 2.332 582 V HA -0.284 3.839 4.120 0.005 0.000 0.248 582 V C 2.686 178.946 176.094 0.277 0.000 1.055 582 V CA 2.237 64.641 62.300 0.174 0.000 1.038 582 V CB -0.385 31.487 31.823 0.082 0.000 0.651 582 V HN 0.559 nan 8.190 nan 0.000 0.450 583 M N 0.469 120.190 119.600 0.201 0.000 2.175 583 M HA -0.098 4.385 4.480 0.005 0.000 0.264 583 M C 1.845 178.287 176.300 0.237 0.000 1.063 583 M CA 1.609 57.070 55.300 0.269 0.000 1.119 583 M CB -0.669 32.056 32.600 0.207 0.000 1.377 583 M HN 0.299 nan 8.290 nan 0.000 0.415 584 N N 0.017 118.817 118.700 0.166 0.000 2.494 584 N HA 0.063 4.806 4.740 0.005 0.000 0.182 584 N C 1.237 176.812 175.510 0.108 0.000 1.076 584 N CA 1.052 54.172 53.050 0.118 0.000 0.908 584 N CB 0.007 38.545 38.487 0.086 0.000 0.967 584 N HN 0.437 nan 8.380 nan 0.000 0.449 585 A N -0.883 122.033 122.820 0.160 0.000 2.119 585 A HA -0.033 4.289 4.320 0.005 0.000 0.216 585 A C 0.689 178.278 177.584 0.009 0.000 1.152 585 A CA 0.882 52.992 52.037 0.122 0.000 0.708 585 A CB -0.358 18.742 19.000 0.167 0.000 0.805 585 A HN 0.356 nan 8.150 nan 0.000 0.460 586 H N -1.771 117.274 119.070 -0.041 0.000 2.512 586 H HA 0.365 4.924 4.556 0.005 0.000 0.276 586 H C -0.258 174.864 175.328 -0.344 0.000 1.126 586 H CA 0.093 55.891 56.048 -0.417 0.000 1.060 586 H CB 0.428 29.595 29.762 -0.991 0.000 1.646 586 H HN 0.438 nan 8.280 nan 0.000 0.571 587 Q N 0.993 120.758 119.800 -0.058 0.000 2.397 587 Q HA 0.249 4.592 4.340 0.005 0.000 0.260 587 Q C -0.110 175.892 176.000 0.004 0.000 1.002 587 Q CA -0.523 55.224 55.803 -0.092 0.000 0.716 587 Q CB 0.684 29.370 28.738 -0.087 0.000 1.258 587 Q HN -0.113 nan 8.270 nan 0.000 0.477 588 K N 1.411 121.843 120.400 0.053 0.000 2.393 588 K HA 0.223 4.546 4.320 0.005 0.000 0.193 588 K C -0.249 176.400 176.600 0.082 0.000 1.026 588 K CA 0.032 56.380 56.287 0.101 0.000 1.064 588 K CB 0.794 33.425 32.500 0.218 0.000 0.833 588 K HN 0.428 nan 8.250 nan 0.000 0.521 589 S N 1.254 117.002 115.700 0.079 0.000 2.422 589 S HA 0.082 4.555 4.470 0.005 0.000 0.298 589 S C 1.102 175.754 174.600 0.087 0.000 1.118 589 S CA -0.378 57.899 58.200 0.129 0.000 1.083 589 S CB 0.920 64.263 63.200 0.238 0.000 0.971 589 S HN 0.322 nan 8.310 nan 0.000 0.478 590 S N 4.454 120.195 115.700 0.069 0.000 2.500 590 S HA -0.057 4.416 4.470 0.005 0.000 0.239 590 S C 1.349 175.984 174.600 0.057 0.000 0.989 590 S CA 0.649 58.877 58.200 0.047 0.000 0.951 590 S CB -0.344 62.871 63.200 0.025 0.000 0.759 590 S HN 0.847 nan 8.310 nan 0.000 0.523 591 I N -0.142 120.480 120.570 0.086 0.000 4.057 591 I HA 0.351 4.524 4.170 0.005 0.000 0.334 591 I C 1.782 177.920 176.117 0.035 0.000 1.308 591 I CA 0.457 61.783 61.300 0.044 0.000 1.125 591 I CB -0.499 37.512 38.000 0.019 0.000 1.034 591 I HN 0.324 nan 8.210 nan 0.000 0.401 592 G N 1.837 110.731 108.800 0.157 0.000 2.433 592 G HA2 -0.274 3.689 3.960 0.005 0.000 0.216 592 G HA3 -0.274 3.689 3.960 0.005 0.000 0.216 592 G C 1.230 176.255 174.900 0.208 0.000 1.186 592 G CA 0.886 46.168 45.100 0.303 0.000 0.779 592 G HN 0.367 nan 8.290 nan 0.000 0.543 593 N N 0.950 119.749 118.700 0.166 0.000 2.025 593 N HA -0.089 4.653 4.740 0.005 0.000 0.194 593 N C 2.580 178.218 175.510 0.213 0.000 1.044 593 N CA 1.521 54.729 53.050 0.264 0.000 0.851 593 N CB -0.734 37.901 38.487 0.247 0.000 1.036 593 N HN 0.207 nan 8.380 nan 0.000 0.422 594 S N 1.006 116.773 115.700 0.112 0.000 2.382 594 S HA -0.067 4.406 4.470 0.005 0.000 0.228 594 S C 1.887 176.522 174.600 0.059 0.000 1.027 594 S CA 0.413 58.658 58.200 0.076 0.000 0.991 594 S CB -0.311 62.909 63.200 0.033 0.000 0.823 594 S HN 0.168 nan 8.310 nan 0.000 0.469 595 L N 1.950 123.146 121.223 -0.045 0.000 2.079 595 L HA -0.017 4.326 4.340 0.005 0.000 0.210 595 L C 1.840 178.761 176.870 0.085 0.000 1.081 595 L CA 1.431 56.185 54.840 -0.142 0.000 0.752 595 L CB -0.689 40.945 42.059 -0.709 0.000 0.896 595 L HN 0.312 nan 8.230 nan 0.000 0.433 596 I N -0.949 119.729 120.570 0.180 0.000 2.163 596 I HA -0.364 3.809 4.170 0.005 0.000 0.243 596 I C 2.708 179.066 176.117 0.402 0.000 1.085 596 I CA 1.568 63.083 61.300 0.359 0.000 1.347 596 I CB -0.364 37.876 38.000 0.400 0.000 1.044 596 I HN 0.281 nan 8.210 nan 0.000 0.408 597 R N 0.422 121.152 120.500 0.383 0.000 2.091 597 R HA -0.169 4.174 4.340 0.005 0.000 0.238 597 R C 2.300 178.746 176.300 0.244 0.000 1.136 597 R CA 2.103 58.416 56.100 0.354 0.000 0.959 597 R CB -0.282 30.162 30.300 0.240 0.000 0.856 597 R HN 0.279 nan 8.270 nan 0.000 0.437 598 T N -0.131 114.539 114.554 0.194 0.000 2.684 598 T HA -0.186 4.167 4.350 0.005 0.000 0.267 598 T C 1.384 176.164 174.700 0.134 0.000 1.036 598 T CA 1.692 63.860 62.100 0.113 0.000 1.148 598 T CB -0.384 68.511 68.868 0.045 0.000 0.863 598 T HN 0.312 nan 8.240 nan 0.000 0.436 599 Y N 0.532 120.909 120.300 0.128 0.000 2.220 599 Y HA 0.080 4.633 4.550 0.005 0.000 0.291 599 Y C 2.534 178.529 175.900 0.158 0.000 1.129 599 Y CA 0.912 59.094 58.100 0.137 0.000 1.161 599 Y CB -0.369 38.257 38.460 0.278 0.000 0.997 599 Y HN 0.119 nan 8.280 nan 0.000 0.522 600 M N -0.059 119.753 119.600 0.354 0.000 2.108 600 M HA -0.258 4.225 4.480 0.005 0.000 0.261 600 M C 2.270 178.701 176.300 0.220 0.000 1.066 600 M CA 1.881 57.337 55.300 0.259 0.000 1.107 600 M CB -0.134 32.545 32.600 0.132 0.000 1.356 600 M HN 0.177 nan 8.290 nan 0.000 0.406 601 E N 0.705 120.997 120.200 0.154 0.000 2.153 601 E HA -0.200 4.153 4.350 0.005 0.000 0.194 601 E C 1.787 178.405 176.600 0.029 0.000 0.988 601 E CA 1.255 57.704 56.400 0.081 0.000 0.811 601 E CB -0.120 29.617 29.700 0.061 0.000 0.746 601 E HN 0.602 nan 8.360 nan 0.000 0.466 602 R N 0.064 120.579 120.500 0.024 0.000 2.152 602 R HA -0.065 4.278 4.340 0.005 0.000 0.232 602 R C 1.331 177.591 176.300 -0.066 0.000 1.117 602 R CA 1.369 57.450 56.100 -0.032 0.000 0.981 602 R CB 0.116 30.379 30.300 -0.062 0.000 0.870 602 R HN 0.149 nan 8.270 nan 0.000 0.451 603 D N -2.307 118.052 120.400 -0.069 0.000 2.480 603 D HA 0.103 4.746 4.640 0.005 0.000 0.243 603 D C -0.553 175.354 176.300 -0.656 0.000 1.120 603 D CA 0.406 54.211 54.000 -0.325 0.000 0.835 603 D CB 0.855 41.453 40.800 -0.336 0.000 1.204 603 D HN -0.008 nan 8.370 nan 0.000 0.513 604 Y N 0.142 120.390 120.300 -0.087 0.000 2.581 604 Y HA 0.436 4.989 4.550 0.005 0.000 0.345 604 Y C -0.024 175.808 175.900 -0.113 0.000 1.036 604 Y CA -0.928 57.105 58.100 -0.112 0.000 1.042 604 Y CB 1.609 39.992 38.460 -0.127 0.000 1.289 604 Y HN -0.322 nan 8.280 nan 0.000 0.471 605 I N 3.275 123.839 120.570 -0.010 0.000 2.471 605 I HA 0.102 4.275 4.170 0.005 0.000 0.286 605 I C -0.217 175.919 176.117 0.031 0.000 1.079 605 I CA 0.258 61.498 61.300 -0.100 0.000 1.398 605 I CB 0.260 37.996 38.000 -0.440 0.000 1.403 605 I HN 0.345 nan 8.210 nan 0.000 0.530 606 I N 8.993 129.597 120.570 0.057 0.000 2.452 606 I HA 0.139 4.312 4.170 0.005 0.000 0.287 606 I C -1.916 174.280 176.117 0.132 0.000 1.079 606 I CA -1.490 59.885 61.300 0.125 0.000 1.387 606 I CB 0.214 38.305 38.000 0.151 0.000 1.404 606 I HN 0.303 nan 8.210 nan 0.000 0.522 607 P HA 0.144 nan 4.420 nan 0.000 0.274 607 P C 0.206 177.589 177.300 0.138 0.000 1.231 607 P CA -0.348 62.846 63.100 0.156 0.000 0.790 607 P CB 0.777 32.566 31.700 0.149 0.000 0.951 608 E N -0.056 120.207 120.200 0.106 0.000 2.152 608 E HA -0.054 4.299 4.350 0.005 0.000 0.192 608 E C 0.614 177.261 176.600 0.079 0.000 0.983 608 E CA 0.758 57.204 56.400 0.077 0.000 0.818 608 E CB 0.025 29.762 29.700 0.062 0.000 0.758 608 E HN 0.523 nan 8.360 nan 0.000 0.467 609 S N -0.627 115.129 115.700 0.093 0.000 2.610 609 S HA 0.102 4.575 4.470 0.005 0.000 0.273 609 S C 0.629 175.315 174.600 0.143 0.000 1.274 609 S CA -0.849 57.417 58.200 0.111 0.000 1.023 609 S CB 1.232 64.489 63.200 0.095 0.000 0.962 609 S HN 0.171 nan 8.310 nan 0.000 0.523 610 F N 2.262 122.224 119.950 0.020 0.000 2.102 610 F HA 0.015 4.545 4.527 0.005 0.000 0.298 610 F C 2.008 177.832 175.800 0.041 0.000 1.105 610 F CA 1.947 59.943 58.000 -0.006 0.000 1.239 610 F CB -0.608 38.366 39.000 -0.042 0.000 0.991 610 F HN 0.734 nan 8.300 nan 0.000 0.474 611 E N 0.353 120.580 120.200 0.045 0.000 2.118 611 E HA -0.208 4.145 4.350 0.005 0.000 0.195 611 E C 1.815 178.394 176.600 -0.036 0.000 0.992 611 E CA 1.664 58.038 56.400 -0.045 0.000 0.804 611 E CB -0.423 29.309 29.700 0.054 0.000 0.741 611 E HN 0.430 nan 8.360 nan 0.000 0.458 612 D N -0.521 119.896 120.400 0.029 0.000 2.162 612 D HA -0.093 4.550 4.640 0.005 0.000 0.203 612 D C 1.585 177.906 176.300 0.036 0.000 0.967 612 D CA 0.458 54.512 54.000 0.091 0.000 0.840 612 D CB -0.286 40.575 40.800 0.101 0.000 0.972 612 D HN 0.139 nan 8.370 nan 0.000 0.482 613 F N 1.506 121.351 119.950 -0.175 0.000 2.134 613 F HA -0.225 4.305 4.527 0.005 0.000 0.299 613 F C 2.117 177.688 175.800 -0.382 0.000 1.097 613 F CA 1.067 58.908 58.000 -0.265 0.000 1.264 613 F CB -0.203 38.622 39.000 -0.292 0.000 1.001 613 F HN -0.228 nan 8.300 nan 0.000 0.479 614 V N 0.163 119.835 119.914 -0.403 0.000 2.255 614 V HA -0.355 3.768 4.120 0.005 0.000 0.247 614 V C 2.147 178.061 176.094 -0.301 0.000 1.051 614 V CA 2.346 64.384 62.300 -0.436 0.000 1.018 614 V CB -1.299 30.253 31.823 -0.452 0.000 0.641 614 V HN 0.610 nan 8.190 nan 0.000 0.445 615 Y N 1.082 121.228 120.300 -0.256 0.000 2.081 615 Y HA -0.273 4.280 4.550 0.005 0.000 0.280 615 Y C 2.347 178.072 175.900 -0.292 0.000 1.163 615 Y CA 2.143 60.133 58.100 -0.184 0.000 1.135 615 Y CB -0.819 37.619 38.460 -0.036 0.000 0.970 615 Y HN 0.049 nan 8.280 nan 0.000 0.498 616 V N 0.601 120.043 119.914 -0.786 0.000 2.515 616 V HA -0.210 3.913 4.120 0.005 0.000 0.250 616 V C 2.633 178.189 176.094 -0.896 0.000 1.058 616 V CA 1.790 63.481 62.300 -1.016 0.000 1.064 616 V CB -1.522 29.856 31.823 -0.741 0.000 0.675 616 V HN 0.668 nan 8.190 nan 0.000 0.461 617 G N -0.249 108.079 108.800 -0.786 0.000 2.443 617 G HA2 -0.173 3.790 3.960 0.005 0.000 0.219 617 G HA3 -0.173 3.790 3.960 0.005 0.000 0.219 617 G C 1.559 176.183 174.900 -0.460 0.000 1.131 617 G CA 0.687 45.426 45.100 -0.601 0.000 0.775 617 G HN 0.476 nan 8.290 nan 0.000 0.547 618 L N 0.167 121.086 121.223 -0.507 0.000 2.027 618 L HA -0.072 4.270 4.340 0.005 0.000 0.206 618 L C 2.979 179.444 176.870 -0.675 0.000 1.074 618 L CA 0.479 54.981 54.840 -0.563 0.000 0.745 618 L CB -0.581 41.097 42.059 -0.635 0.000 0.898 618 L HN 0.066 nan 8.230 nan 0.000 0.433 619 V N 0.139 119.626 119.914 -0.713 0.000 2.287 619 V HA -0.316 3.807 4.120 0.005 0.000 0.248 619 V C 2.434 178.187 176.094 -0.569 0.000 1.053 619 V CA 1.975 63.890 62.300 -0.641 0.000 1.027 619 V CB -0.522 30.869 31.823 -0.719 0.000 0.646 619 V HN 0.370 nan 8.190 nan 0.000 0.447 620 L N 0.096 120.929 121.223 -0.649 0.000 1.989 620 L HA -0.255 4.088 4.340 0.005 0.000 0.211 620 L C 2.517 179.120 176.870 -0.446 0.000 1.071 620 L CA 2.541 57.111 54.840 -0.450 0.000 0.749 620 L CB -0.912 40.937 42.059 -0.350 0.000 0.890 620 L HN 0.404 nan 8.230 nan 0.000 0.431 621 Q N -0.728 118.875 119.800 -0.329 0.000 2.096 621 Q HA -0.187 4.156 4.340 0.005 0.000 0.204 621 Q C 2.030 177.782 176.000 -0.412 0.000 0.982 621 Q CA 1.898 57.559 55.803 -0.238 0.000 0.850 621 Q CB -0.521 28.161 28.738 -0.093 0.000 0.901 621 Q HN 0.702 nan 8.270 nan 0.000 0.422 622 G N 0.269 108.801 108.800 -0.447 0.000 2.402 622 G HA2 -0.250 3.713 3.960 0.005 0.000 0.216 622 G HA3 -0.250 3.713 3.960 0.005 0.000 0.216 622 G C 1.371 176.021 174.900 -0.418 0.000 1.162 622 G CA 0.495 45.332 45.100 -0.438 0.000 0.777 622 G HN 0.291 nan 8.290 nan 0.000 0.539 623 Q N 0.380 119.929 119.800 -0.419 0.000 2.083 623 Q HA -0.032 4.311 4.340 0.005 0.000 0.198 623 Q C 2.851 178.532 176.000 -0.531 0.000 0.969 623 Q CA 1.413 56.994 55.803 -0.371 0.000 0.838 623 Q CB -0.808 27.771 28.738 -0.265 0.000 0.900 623 Q HN 0.437 nan 8.270 nan 0.000 0.436 624 G N 0.786 108.996 108.800 -0.982 0.000 2.421 624 G HA2 -0.217 3.746 3.960 0.005 0.000 0.216 624 G HA3 -0.217 3.746 3.960 0.005 0.000 0.216 624 G C 1.466 175.866 174.900 -0.834 0.000 1.171 624 G CA 0.641 44.662 45.100 -1.798 0.000 0.775 624 G HN 0.148 nan 8.290 nan 0.000 0.543 625 M N 1.162 120.416 119.600 -0.575 0.000 2.132 625 M HA -0.032 4.451 4.480 0.005 0.000 0.263 625 M C 2.630 178.825 176.300 -0.176 0.000 1.065 625 M CA 1.549 56.709 55.300 -0.235 0.000 1.122 625 M CB -0.844 31.517 32.600 -0.399 0.000 1.365 625 M HN 0.421 nan 8.290 nan 0.000 0.411 626 R N -1.025 119.307 120.500 -0.280 0.000 2.152 626 R HA -0.164 4.179 4.340 0.005 0.000 0.232 626 R C 1.948 178.166 176.300 -0.136 0.000 1.117 626 R CA 1.848 57.811 56.100 -0.228 0.000 0.981 626 R CB -1.390 28.761 30.300 -0.248 0.000 0.870 626 R HN 0.349 nan 8.270 nan 0.000 0.451 627 H N 0.121 119.067 119.070 -0.207 0.000 2.352 627 H HA 0.026 4.586 4.556 0.005 0.000 0.299 627 H C 2.033 177.263 175.328 -0.162 0.000 1.097 627 H CA 2.281 58.237 56.048 -0.153 0.000 1.311 627 H CB -0.552 29.128 29.762 -0.138 0.000 1.377 627 H HN 0.401 nan 8.280 nan 0.000 0.504 628 G N -0.011 108.731 108.800 -0.096 0.000 2.402 628 G HA2 -0.170 3.793 3.960 0.005 0.000 0.216 628 G HA3 -0.170 3.793 3.960 0.005 0.000 0.216 628 G C 1.734 176.268 174.900 -0.610 0.000 1.162 628 G CA 0.738 45.615 45.100 -0.371 0.000 0.777 628 G HN 0.402 nan 8.290 nan 0.000 0.539 629 L N 0.083 121.224 121.223 -0.136 0.000 2.079 629 L HA -0.077 4.266 4.340 0.005 0.000 0.210 629 L C 2.843 179.666 176.870 -0.078 0.000 1.081 629 L CA 1.279 56.139 54.840 0.033 0.000 0.752 629 L CB -0.375 41.681 42.059 -0.004 0.000 0.896 629 L HN 0.288 nan 8.230 nan 0.000 0.433 630 E N 0.071 120.152 120.200 -0.197 0.000 2.072 630 E HA -0.165 4.188 4.350 0.005 0.000 0.190 630 E C 2.353 178.781 176.600 -0.286 0.000 0.982 630 E CA 0.992 57.268 56.400 -0.206 0.000 0.803 630 E CB -0.154 29.421 29.700 -0.209 0.000 0.755 630 E HN 0.476 nan 8.360 nan 0.000 0.453 631 A N 0.893 123.457 122.820 -0.427 0.000 1.940 631 A HA -0.240 4.083 4.320 0.005 0.000 0.219 631 A C 1.650 179.096 177.584 -0.229 0.000 1.176 631 A CA 1.733 53.531 52.037 -0.398 0.000 0.631 631 A CB -0.840 17.880 19.000 -0.467 0.000 0.814 631 A HN 0.334 nan 8.150 nan 0.000 0.446 632 H N -1.322 117.692 119.070 -0.093 0.000 2.363 632 H HA 0.031 4.589 4.556 0.005 0.000 0.301 632 H C 2.451 177.832 175.328 0.087 0.000 1.074 632 H CA 1.087 57.162 56.048 0.045 0.000 1.354 632 H CB 0.004 29.817 29.762 0.084 0.000 1.397 632 H HN 0.371 nan 8.280 nan 0.000 0.516 633 R N 0.617 121.103 120.500 -0.022 0.000 2.092 633 R HA -0.077 4.266 4.340 0.005 0.000 0.231 633 R C 2.374 178.491 176.300 -0.305 0.000 1.119 633 R CA 0.895 56.687 56.100 -0.513 0.000 0.970 633 R CB -0.105 29.932 30.300 -0.438 0.000 0.864 633 R HN 0.246 nan 8.270 nan 0.000 0.440 634 R N 0.811 121.175 120.500 -0.227 0.000 2.152 634 R HA -0.049 4.294 4.340 0.005 0.000 0.232 634 R C 0.850 177.027 176.300 -0.205 0.000 1.117 634 R CA 1.199 57.127 56.100 -0.286 0.000 0.981 634 R CB 0.059 30.083 30.300 -0.460 0.000 0.870 634 R HN 0.184 nan 8.270 nan 0.000 0.451 635 N N 0.975 119.622 118.700 -0.088 0.000 2.295 635 N HA -0.035 4.708 4.740 0.005 0.000 0.221 635 N C -0.394 175.208 175.510 0.153 0.000 1.129 635 N CA -0.086 52.981 53.050 0.028 0.000 0.836 635 N CB 0.346 38.867 38.487 0.057 0.000 1.040 635 N HN 0.193 nan 8.380 nan 0.000 0.494 636 R N 2.423 122.994 120.500 0.119 0.000 2.590 636 R HA 0.077 4.420 4.340 0.005 0.000 0.274 636 R C -1.512 174.870 176.300 0.137 0.000 1.061 636 R CA -0.704 55.504 56.100 0.180 0.000 1.081 636 R CB 0.704 31.072 30.300 0.113 0.000 0.984 636 R HN 0.000 nan 8.270 nan 0.000 0.448 637 P HA -0.049 nan 4.420 nan 0.000 0.261 637 P C 0.651 178.041 177.300 0.149 0.000 1.268 637 P CA 0.317 63.492 63.100 0.124 0.000 0.833 637 P CB -0.039 31.689 31.700 0.047 0.000 1.231 638 Y N 1.068 121.429 120.300 0.103 0.000 2.114 638 Y HA -0.185 4.368 4.550 0.004 0.000 0.282 638 Y C 1.214 177.200 175.900 0.142 0.000 1.165 638 Y CA 1.348 59.518 58.100 0.117 0.000 1.148 638 Y CB -0.593 37.931 38.460 0.107 0.000 0.972 638 Y HN 0.031 nan 8.280 nan 0.000 0.504 639 C N 2.079 121.569 119.300 0.317 0.000 2.319 639 C HA 0.418 4.881 4.460 0.005 0.000 0.335 639 C C 0.528 175.672 174.990 0.257 0.000 1.274 639 C CA -0.782 58.383 59.018 0.244 0.000 1.806 639 C CB 0.006 27.926 27.740 0.299 0.000 2.329 639 C HN 0.601 nan 8.230 nan 0.000 0.524 640 M N 4.711 124.329 119.600 0.030 0.000 2.504 640 M HA 0.326 4.809 4.480 0.005 0.000 0.370 640 M C 0.401 176.174 176.300 -0.878 0.000 1.110 640 M CA 0.149 55.376 55.300 -0.123 0.000 0.938 640 M CB 0.121 32.831 32.600 0.183 0.000 1.460 640 M HN 0.984 nan 8.290 nan 0.000 0.535 641 G N -0.295 107.667 108.800 -1.396 0.000 2.442 641 G HA2 0.390 4.353 3.960 0.005 0.000 0.296 641 G HA3 0.390 4.353 3.960 0.005 0.000 0.296 641 G C -1.662 172.446 174.900 -1.321 0.000 1.564 641 G CA -0.357 43.635 45.100 -1.846 0.000 0.828 641 G HN -0.091 nan 8.290 nan 0.000 0.571 642 T N 0.660 114.761 114.554 -0.755 0.000 3.011 642 T HA 0.603 4.956 4.350 0.005 0.000 0.303 642 T C -1.031 173.651 174.700 -0.029 0.000 0.997 642 T CA -0.472 61.486 62.100 -0.235 0.000 1.007 642 T CB 0.562 69.588 68.868 0.263 0.000 1.017 642 T HN 0.543 nan 8.240 nan 0.000 0.443 643 L N 6.734 127.970 121.223 0.022 0.000 2.345 643 L HA 0.511 4.854 4.340 0.005 0.000 0.274 643 L C -0.253 176.666 176.870 0.082 0.000 0.999 643 L CA -1.338 53.507 54.840 0.007 0.000 0.849 643 L CB 0.885 42.902 42.059 -0.070 0.000 1.220 643 L HN 0.726 nan 8.230 nan 0.000 0.422 644 Y N 0.606 120.923 120.300 0.028 0.000 2.326 644 Y HA 0.273 4.826 4.550 0.005 0.000 0.333 644 Y C -0.342 175.417 175.900 -0.234 0.000 1.240 644 Y CA -0.844 57.122 58.100 -0.223 0.000 1.365 644 Y CB 0.781 38.960 38.460 -0.468 0.000 1.289 644 Y HN 0.562 nan 8.280 nan 0.000 0.548 645 W N 6.636 127.810 121.300 -0.210 0.000 2.291 645 W HA 0.368 5.031 4.660 0.005 0.000 0.312 645 W C -1.504 175.008 176.519 -0.012 0.000 1.061 645 W CA -0.636 56.600 57.345 -0.183 0.000 1.296 645 W CB 1.165 30.575 29.460 -0.083 0.000 1.223 645 W HN 0.928 nan 8.180 nan 0.000 0.421 646 Q N 3.989 123.517 119.800 -0.453 0.000 2.501 646 Q HA 0.253 4.596 4.340 0.005 0.000 0.288 646 Q C -0.400 175.230 176.000 -0.617 0.000 1.051 646 Q CA -0.852 54.309 55.803 -1.070 0.000 0.788 646 Q CB 1.890 29.578 28.738 -1.749 0.000 1.469 646 Q HN 0.383 nan 8.270 nan 0.000 0.416 647 L N 1.229 122.020 121.223 -0.720 0.000 2.005 647 L HA 0.026 4.369 4.340 0.005 0.000 0.207 647 L C 0.050 176.677 176.870 -0.406 0.000 1.072 647 L CA 2.090 56.648 54.840 -0.471 0.000 0.744 647 L CB -0.268 41.538 42.059 -0.422 0.000 0.895 647 L HN 0.910 nan 8.230 nan 0.000 0.433 648 N N -2.202 116.177 118.700 -0.534 0.000 2.774 648 N HA 0.273 5.016 4.740 0.005 0.000 0.264 648 N C -1.640 173.565 175.510 -0.508 0.000 1.415 648 N CA -0.676 52.101 53.050 -0.454 0.000 0.815 648 N CB 1.197 39.434 38.487 -0.417 0.000 1.514 648 N HN -0.119 nan 8.380 nan 0.000 0.523 649 D N -0.919 119.268 120.400 -0.355 0.000 2.433 649 D HA 0.317 4.960 4.640 0.005 0.000 0.236 649 D C 0.375 176.598 176.300 -0.128 0.000 1.026 649 D CA -0.363 53.470 54.000 -0.280 0.000 0.884 649 D CB 2.180 42.877 40.800 -0.171 0.000 1.384 649 D HN 0.601 nan 8.370 nan 0.000 0.477 650 S N 0.175 115.856 115.700 -0.033 0.000 2.517 650 S HA 0.145 4.618 4.470 0.005 0.000 0.214 650 S C 0.394 174.983 174.600 -0.019 0.000 0.991 650 S CA -0.252 58.016 58.200 0.113 0.000 0.906 650 S CB 0.278 63.618 63.200 0.233 0.000 0.789 650 S HN 0.597 nan 8.310 nan 0.000 0.513 651 W N -0.455 120.441 121.300 -0.673 0.000 2.982 651 W HA 0.537 5.200 4.660 0.005 0.000 0.344 651 W C -3.851 172.103 176.519 -0.942 0.000 1.215 651 W CA -2.542 53.852 57.345 -1.586 0.000 1.182 651 W CB -0.237 28.240 29.460 -1.639 0.000 1.437 651 W HN -0.245 nan 8.180 nan 0.000 0.570 652 P HA 0.355 nan 4.420 nan 0.000 0.276 652 P C -0.508 175.968 177.300 -1.374 0.000 1.253 652 P CA 0.451 63.070 63.100 -0.803 0.000 0.766 652 P CB 1.456 32.983 31.700 -0.289 0.000 0.845 653 V N 4.078 123.412 119.914 -0.966 0.000 3.236 653 V HA 0.214 4.337 4.120 0.005 0.000 0.287 653 V C -1.284 174.499 176.094 -0.519 0.000 1.491 653 V CA -0.862 60.870 62.300 -0.948 0.000 1.037 653 V CB 2.448 33.623 31.823 -1.079 0.000 1.160 653 V HN 0.078 nan 8.190 nan 0.000 0.453 654 V N 4.638 124.251 119.914 -0.502 0.000 2.461 654 V HA 0.817 4.940 4.120 0.005 0.000 0.275 654 V C 0.343 176.134 176.094 -0.505 0.000 1.047 654 V CA 0.894 62.857 62.300 -0.561 0.000 0.955 654 V CB 0.743 32.075 31.823 -0.817 0.000 0.988 654 V HN 1.255 nan 8.190 nan 0.000 0.471 655 S N 3.722 119.098 115.700 -0.539 0.000 2.661 655 S HA 0.386 4.859 4.470 0.005 0.000 0.268 655 S C -0.320 173.925 174.600 -0.592 0.000 1.162 655 S CA -0.846 57.032 58.200 -0.536 0.000 0.817 655 S CB 1.002 64.139 63.200 -0.105 0.000 1.141 655 S HN 0.534 nan 8.310 nan 0.000 0.477 656 W N 2.513 123.669 121.300 -0.239 0.000 3.077 656 W HA 0.176 4.839 4.660 0.005 0.000 0.245 656 W C 1.174 177.536 176.519 -0.262 0.000 1.316 656 W CA 0.238 57.445 57.345 -0.229 0.000 1.537 656 W CB -0.677 28.806 29.460 0.039 0.000 1.131 656 W HN 0.790 nan 8.180 nan 0.000 0.695 657 S N 0.469 116.090 115.700 -0.132 0.000 2.584 657 S HA 0.080 4.553 4.470 0.005 0.000 0.270 657 S C 1.225 175.722 174.600 -0.171 0.000 1.346 657 S CA 0.189 58.261 58.200 -0.214 0.000 1.018 657 S CB 1.693 64.732 63.200 -0.268 0.000 0.899 657 S HN 0.116 nan 8.310 nan 0.000 0.542 658 S N 1.012 116.634 115.700 -0.130 0.000 2.517 658 S HA 0.338 4.811 4.470 0.005 0.000 0.214 658 S C 0.277 174.764 174.600 -0.189 0.000 0.991 658 S CA -0.435 57.687 58.200 -0.131 0.000 0.906 658 S CB -0.556 62.649 63.200 0.009 0.000 0.789 658 S HN 0.709 nan 8.310 nan 0.000 0.513 659 I N 3.275 123.704 120.570 -0.236 0.000 2.478 659 I HA 0.329 4.502 4.170 0.005 0.000 0.287 659 I C -0.955 175.065 176.117 -0.161 0.000 1.042 659 I CA -0.965 60.190 61.300 -0.242 0.000 1.067 659 I CB 1.978 39.745 38.000 -0.388 0.000 1.233 659 I HN 0.163 nan 8.210 nan 0.000 0.431 660 D N 4.607 124.967 120.400 -0.066 0.000 2.414 660 D HA -0.094 4.549 4.640 0.005 0.000 0.251 660 D C 1.003 177.279 176.300 -0.041 0.000 1.252 660 D CA -0.024 53.953 54.000 -0.039 0.000 0.999 660 D CB 0.554 41.385 40.800 0.052 0.000 1.093 660 D HN 0.534 nan 8.370 nan 0.000 0.515 661 Y N -0.361 119.814 120.300 -0.209 0.000 2.256 661 Y HA -0.195 4.358 4.550 0.005 0.000 0.288 661 Y C 1.125 176.825 175.900 -0.334 0.000 1.155 661 Y CA 1.393 59.289 58.100 -0.340 0.000 1.203 661 Y CB -0.358 37.792 38.460 -0.518 0.000 0.980 661 Y HN 0.400 nan 8.280 nan 0.000 0.530 662 Y N -0.003 120.256 120.300 -0.068 0.000 2.477 662 Y HA 0.266 4.819 4.550 0.005 0.000 0.303 662 Y C 1.910 177.772 175.900 -0.063 0.000 1.202 662 Y CA 0.375 58.416 58.100 -0.097 0.000 1.282 662 Y CB -0.141 38.350 38.460 0.051 0.000 1.071 662 Y HN 0.242 nan 8.280 nan 0.000 0.510 663 G N -0.267 108.542 108.800 0.016 0.000 2.176 663 G HA2 -0.280 3.683 3.960 0.005 0.000 0.253 663 G HA3 -0.280 3.683 3.960 0.005 0.000 0.253 663 G C -0.050 174.945 174.900 0.158 0.000 0.979 663 G CA -0.268 44.861 45.100 0.049 0.000 0.641 663 G HN 0.331 nan 8.290 nan 0.000 0.530 664 N N 0.534 119.347 118.700 0.189 0.000 2.470 664 N HA 0.262 5.005 4.740 0.005 0.000 0.268 664 N C -0.040 175.649 175.510 0.298 0.000 1.136 664 N CA 0.020 53.226 53.050 0.261 0.000 0.961 664 N CB 0.443 39.089 38.487 0.264 0.000 1.067 664 N HN 0.219 nan 8.380 nan 0.000 0.468 665 W N 2.400 123.707 121.300 0.012 0.000 2.308 665 W HA 0.163 4.826 4.660 0.005 0.000 0.324 665 W C 1.130 177.687 176.519 0.064 0.000 1.387 665 W CA -0.365 56.923 57.345 -0.095 0.000 1.250 665 W CB -0.081 29.165 29.460 -0.357 0.000 1.257 665 W HN 0.197 nan 8.180 nan 0.000 0.554 666 K N 2.048 122.515 120.400 0.111 0.000 2.120 666 K HA 0.346 4.669 4.320 0.005 0.000 0.245 666 K C 1.289 177.791 176.600 -0.163 0.000 1.024 666 K CA 0.009 56.243 56.287 -0.089 0.000 0.906 666 K CB 0.590 32.960 32.500 -0.217 0.000 1.051 666 K HN 0.463 nan 8.250 nan 0.000 0.491 667 A N 1.297 123.588 122.820 -0.881 0.000 1.948 667 A HA -0.204 4.119 4.320 0.005 0.000 0.220 667 A C 1.981 179.373 177.584 -0.320 0.000 1.177 667 A CA 1.665 53.168 52.037 -0.890 0.000 0.636 667 A CB -0.567 17.565 19.000 -1.447 0.000 0.815 667 A HN 0.644 nan 8.150 nan 0.000 0.449 668 L N -0.936 120.053 121.223 -0.389 0.000 2.081 668 L HA -0.212 4.131 4.340 0.005 0.000 0.212 668 L C 2.201 178.836 176.870 -0.391 0.000 1.080 668 L CA 2.779 57.378 54.840 -0.402 0.000 0.754 668 L CB -0.906 40.886 42.059 -0.445 0.000 0.893 668 L HN 0.604 nan 8.230 nan 0.000 0.433 669 H N -2.200 116.633 119.070 -0.395 0.000 2.363 669 H HA -0.132 4.428 4.556 0.005 0.000 0.301 669 H C 1.910 176.965 175.328 -0.454 0.000 1.074 669 H CA 2.161 57.857 56.048 -0.586 0.000 1.354 669 H CB -0.161 29.001 29.762 -0.999 0.000 1.397 669 H HN 0.444 nan 8.280 nan 0.000 0.516 670 Y N 0.238 120.586 120.300 0.080 0.000 2.181 670 Y HA -0.231 4.322 4.550 0.005 0.000 0.288 670 Y C 2.570 178.443 175.900 -0.045 0.000 1.146 670 Y CA 1.225 59.445 58.100 0.200 0.000 1.164 670 Y CB -0.170 38.479 38.460 0.315 0.000 0.982 670 Y HN 0.273 nan 8.280 nan 0.000 0.515 671 Q N -0.253 119.530 119.800 -0.028 0.000 2.167 671 Q HA -0.095 4.248 4.340 0.005 0.000 0.202 671 Q C 2.583 178.376 176.000 -0.345 0.000 0.970 671 Q CA 1.178 56.882 55.803 -0.165 0.000 0.855 671 Q CB -0.567 28.031 28.738 -0.235 0.000 0.911 671 Q HN 0.546 nan 8.270 nan 0.000 0.438 672 A N 1.691 124.188 122.820 -0.537 0.000 1.902 672 A HA -0.215 4.108 4.320 0.005 0.000 0.217 672 A C 2.156 179.337 177.584 -0.672 0.000 1.181 672 A CA 1.739 53.273 52.037 -0.838 0.000 0.623 672 A CB -0.462 18.010 19.000 -0.880 0.000 0.818 672 A HN 0.296 nan 8.150 nan 0.000 0.443 673 K N -0.273 119.886 120.400 -0.402 0.000 2.020 673 K HA -0.228 4.094 4.320 0.005 0.000 0.212 673 K C 2.282 178.857 176.600 -0.042 0.000 1.050 673 K CA 1.838 58.046 56.287 -0.132 0.000 0.929 673 K CB -0.219 32.296 32.500 0.025 0.000 0.714 673 K HN 0.471 nan 8.250 nan 0.000 0.443 674 R N -0.237 120.233 120.500 -0.051 0.000 2.073 674 R HA -0.094 4.249 4.340 0.005 0.000 0.234 674 R C 2.400 178.671 176.300 -0.048 0.000 1.134 674 R CA 1.377 57.467 56.100 -0.016 0.000 0.952 674 R CB -0.384 29.914 30.300 -0.004 0.000 0.850 674 R HN 0.274 nan 8.270 nan 0.000 0.433 675 A N 0.221 122.945 122.820 -0.160 0.000 2.066 675 A HA -0.069 4.254 4.320 0.005 0.000 0.218 675 A C 1.255 178.868 177.584 0.048 0.000 1.157 675 A CA 0.941 52.894 52.037 -0.140 0.000 0.670 675 A CB -0.141 18.685 19.000 -0.289 0.000 0.804 675 A HN 0.185 nan 8.150 nan 0.000 0.453 676 F N -0.268 119.658 119.950 -0.040 0.000 2.727 676 F HA 0.454 4.984 4.527 0.005 0.000 0.302 676 F C 1.461 177.248 175.800 -0.021 0.000 1.097 676 F CA -0.957 57.027 58.000 -0.027 0.000 1.330 676 F CB -0.969 38.012 39.000 -0.031 0.000 1.084 676 F HN 0.166 nan 8.300 nan 0.000 0.578 677 A N 1.599 124.513 122.820 0.157 0.000 2.587 677 A HA 0.057 4.380 4.320 0.005 0.000 0.235 677 A C -1.179 176.453 177.584 0.081 0.000 1.044 677 A CA -0.640 51.457 52.037 0.100 0.000 0.754 677 A CB -0.301 18.740 19.000 0.068 0.000 0.968 677 A HN 0.108 nan 8.150 nan 0.000 0.509 678 P HA -0.097 nan 4.420 nan 0.000 0.216 678 P C 0.015 177.351 177.300 0.060 0.000 1.154 678 P CA 1.172 64.314 63.100 0.070 0.000 0.865 678 P CB 0.041 31.788 31.700 0.078 0.000 0.789 679 V N 0.109 120.055 119.914 0.052 0.000 2.495 679 V HA 0.439 4.562 4.120 0.005 0.000 0.298 679 V C -0.395 175.721 176.094 0.036 0.000 1.031 679 V CA -0.726 61.599 62.300 0.041 0.000 0.871 679 V CB 1.803 33.650 31.823 0.040 0.000 0.988 679 V HN -0.168 nan 8.190 nan 0.000 0.432 680 L N 6.313 127.553 121.223 0.028 0.000 2.436 680 L HA 0.695 5.038 4.340 0.005 0.000 0.268 680 L C -0.902 175.985 176.870 0.028 0.000 0.974 680 L CA -0.096 54.758 54.840 0.025 0.000 0.826 680 L CB 1.863 43.931 42.059 0.014 0.000 1.291 680 L HN 0.573 nan 8.230 nan 0.000 0.406 681 I N 4.518 125.106 120.570 0.029 0.000 2.325 681 I HA 0.341 4.514 4.170 0.005 0.000 0.291 681 I C 0.033 176.174 176.117 0.040 0.000 1.019 681 I CA -0.016 61.306 61.300 0.036 0.000 1.302 681 I CB 0.879 38.895 38.000 0.026 0.000 1.401 681 I HN 0.655 nan 8.210 nan 0.000 0.485 682 N N 8.666 127.403 118.700 0.061 0.000 2.626 682 N HA 0.341 5.084 4.740 0.005 0.000 0.249 682 N C -2.688 172.872 175.510 0.084 0.000 1.021 682 N CA -1.623 51.457 53.050 0.050 0.000 0.886 682 N CB 1.521 40.014 38.487 0.009 0.000 1.149 682 N HN 0.236 nan 8.380 nan 0.000 0.517 683 P HA 0.165 nan 4.420 nan 0.000 0.276 683 P C -0.809 176.463 177.300 -0.047 0.000 1.253 683 P CA -0.328 62.742 63.100 -0.049 0.000 0.766 683 P CB 1.107 32.675 31.700 -0.221 0.000 0.845 684 I N 2.555 123.139 120.570 0.023 0.000 2.447 684 I HA 0.332 4.505 4.170 0.005 0.000 0.287 684 I C -0.724 175.455 176.117 0.104 0.000 1.023 684 I CA -0.872 60.475 61.300 0.079 0.000 1.083 684 I CB 1.845 39.873 38.000 0.048 0.000 1.245 684 I HN 0.268 nan 8.210 nan 0.000 0.434 685 Q N 6.788 126.689 119.800 0.168 0.000 2.333 685 Q HA 0.613 4.956 4.340 0.005 0.000 0.265 685 Q C -1.614 174.492 176.000 0.178 0.000 0.989 685 Q CA -0.522 55.400 55.803 0.198 0.000 0.842 685 Q CB 1.197 30.131 28.738 0.328 0.000 1.262 685 Q HN 0.746 nan 8.270 nan 0.000 0.451 686 Q N 2.576 122.463 119.800 0.144 0.000 2.377 686 Q HA 0.341 4.684 4.340 0.005 0.000 0.279 686 Q C -0.960 175.098 176.000 0.097 0.000 1.049 686 Q CA -0.914 54.958 55.803 0.114 0.000 0.825 686 Q CB 1.775 30.574 28.738 0.101 0.000 1.401 686 Q HN 0.803 nan 8.270 nan 0.000 0.404 687 N N 2.015 120.762 118.700 0.079 0.000 2.740 687 N HA -0.207 4.536 4.740 0.005 0.000 0.248 687 N C -0.812 174.738 175.510 0.067 0.000 1.062 687 N CA 1.531 54.619 53.050 0.064 0.000 0.704 687 N CB -0.886 37.635 38.487 0.057 0.000 0.968 687 N HN 1.017 nan 8.380 nan 0.000 0.547 688 D N -1.313 119.133 120.400 0.076 0.000 2.811 688 D HA -0.189 4.454 4.640 0.005 0.000 0.231 688 D C -0.771 175.587 176.300 0.098 0.000 1.157 688 D CA 1.702 55.747 54.000 0.076 0.000 0.716 688 D CB -0.649 40.179 40.800 0.046 0.000 1.077 688 D HN 0.552 nan 8.370 nan 0.000 0.428 689 S N -0.872 114.901 115.700 0.122 0.000 2.549 689 S HA 0.683 5.156 4.470 0.005 0.000 0.280 689 S C -1.511 173.195 174.600 0.176 0.000 1.109 689 S CA -0.986 57.298 58.200 0.140 0.000 0.905 689 S CB 1.351 64.608 63.200 0.094 0.000 1.081 689 S HN 0.286 nan 8.310 nan 0.000 0.477 690 L N 3.646 125.003 121.223 0.223 0.000 2.296 690 L HA 0.735 5.078 4.340 0.005 0.000 0.286 690 L C -0.428 176.539 176.870 0.162 0.000 1.023 690 L CA 0.277 55.254 54.840 0.228 0.000 0.812 690 L CB 1.636 43.926 42.059 0.386 0.000 1.223 690 L HN 0.638 nan 8.230 nan 0.000 0.421 691 S N 3.118 118.902 115.700 0.141 0.000 2.578 691 S HA 0.801 5.274 4.470 0.005 0.000 0.301 691 S C -0.984 173.716 174.600 0.166 0.000 1.091 691 S CA -0.585 57.691 58.200 0.127 0.000 1.032 691 S CB 1.942 65.253 63.200 0.185 0.000 1.064 691 S HN 0.418 nan 8.310 nan 0.000 0.508 692 V N 3.099 123.088 119.914 0.125 0.000 2.444 692 V HA 0.428 4.551 4.120 0.005 0.000 0.294 692 V C -1.447 174.666 176.094 0.030 0.000 1.022 692 V CA -0.612 61.764 62.300 0.127 0.000 0.850 692 V CB 0.757 32.651 31.823 0.117 0.000 0.992 692 V HN 0.844 nan 8.190 nan 0.000 0.426 693 Y N 4.400 124.709 120.300 0.015 0.000 2.387 693 Y HA 0.678 5.231 4.550 0.005 0.000 0.336 693 Y C 0.045 175.943 175.900 -0.003 0.000 1.067 693 Y CA -0.802 57.300 58.100 0.004 0.000 1.114 693 Y CB 1.945 40.398 38.460 -0.013 0.000 1.208 693 Y HN 0.436 nan 8.280 nan 0.000 0.458 694 L N 5.195 126.495 121.223 0.128 0.000 2.313 694 L HA 0.566 4.909 4.340 0.005 0.000 0.283 694 L C -0.917 176.001 176.870 0.081 0.000 1.013 694 L CA -0.487 54.400 54.840 0.079 0.000 0.816 694 L CB 1.239 43.320 42.059 0.037 0.000 1.236 694 L HN 0.497 nan 8.230 nan 0.000 0.419 695 I N 2.264 122.865 120.570 0.052 0.000 2.418 695 I HA 0.350 4.522 4.170 0.005 0.000 0.287 695 I C -0.244 175.879 176.117 0.010 0.000 1.008 695 I CA -0.200 61.111 61.300 0.018 0.000 1.104 695 I CB 2.082 40.064 38.000 -0.030 0.000 1.264 695 I HN 0.507 nan 8.210 nan 0.000 0.438 696 S N 3.860 119.570 115.700 0.016 0.000 2.532 696 S HA 0.377 4.850 4.470 0.005 0.000 0.299 696 S C -0.288 174.348 174.600 0.059 0.000 1.105 696 S CA -0.604 57.619 58.200 0.038 0.000 1.018 696 S CB 1.257 64.484 63.200 0.045 0.000 1.021 696 S HN 0.562 nan 8.310 nan 0.000 0.483 697 D N 3.054 123.511 120.400 0.096 0.000 2.424 697 D HA 0.185 4.828 4.640 0.005 0.000 0.220 697 D C 0.216 176.710 176.300 0.324 0.000 1.150 697 D CA -0.013 54.110 54.000 0.205 0.000 0.831 697 D CB 0.402 41.293 40.800 0.153 0.000 0.981 697 D HN 0.461 nan 8.370 nan 0.000 0.500 698 R N 0.323 120.933 120.500 0.183 0.000 2.641 698 R HA 0.272 4.615 4.340 0.005 0.000 0.269 698 R C 1.527 177.846 176.300 0.033 0.000 1.074 698 R CA -0.316 55.865 56.100 0.134 0.000 1.133 698 R CB 1.414 31.755 30.300 0.068 0.000 1.029 698 R HN 0.005 nan 8.270 nan 0.000 0.488 699 L N 1.105 122.260 121.223 -0.113 0.000 2.395 699 L HA -0.048 4.295 4.340 0.005 0.000 0.218 699 L C 0.552 177.334 176.870 -0.147 0.000 1.130 699 L CA 0.652 55.321 54.840 -0.285 0.000 0.826 699 L CB -0.350 41.430 42.059 -0.465 0.000 0.941 699 L HN 0.711 nan 8.230 nan 0.000 0.451 700 D N -1.096 119.261 120.400 -0.072 0.000 2.198 700 D HA 0.132 4.775 4.640 0.005 0.000 0.247 700 D C -0.279 176.010 176.300 -0.019 0.000 1.010 700 D CA -0.406 53.568 54.000 -0.044 0.000 0.880 700 D CB 1.365 42.147 40.800 -0.030 0.000 1.209 700 D HN -0.271 nan 8.370 nan 0.000 0.451 701 T N 1.851 116.395 114.554 -0.016 0.000 2.884 701 T HA 0.244 4.597 4.350 0.005 0.000 0.298 701 T C 0.498 175.200 174.700 0.004 0.000 0.998 701 T CA -0.246 61.853 62.100 -0.002 0.000 1.124 701 T CB 0.434 69.300 68.868 -0.003 0.000 0.931 701 T HN 0.257 nan 8.240 nan 0.000 0.531 702 M N 3.089 122.696 119.600 0.011 0.000 2.238 702 M HA 0.404 4.887 4.480 0.005 0.000 0.350 702 M C 0.127 176.436 176.300 0.015 0.000 1.138 702 M CA -0.460 54.849 55.300 0.014 0.000 1.040 702 M CB 1.452 34.063 32.600 0.019 0.000 1.639 702 M HN 0.554 nan 8.290 nan 0.000 0.451 703 E N 1.351 121.561 120.200 0.016 0.000 2.244 703 E HA 0.320 4.673 4.350 0.005 0.000 0.266 703 E C -0.882 175.732 176.600 0.024 0.000 0.914 703 E CA -0.593 55.817 56.400 0.017 0.000 0.794 703 E CB 1.561 31.269 29.700 0.013 0.000 1.210 703 E HN 0.558 nan 8.360 nan 0.000 0.414 704 Q N 1.091 120.906 119.800 0.026 0.000 2.470 704 Q HA -0.190 4.153 4.340 0.005 0.000 0.294 704 Q C -0.589 175.437 176.000 0.045 0.000 1.356 704 Q CA 0.414 56.238 55.803 0.035 0.000 0.805 704 Q CB -1.051 27.706 28.738 0.031 0.000 1.157 704 Q HN 0.437 nan 8.270 nan 0.000 0.431 705 M N 0.061 119.683 119.600 0.037 0.000 2.444 705 M HA 0.439 4.922 4.480 0.005 0.000 0.319 705 M C 0.521 176.835 176.300 0.023 0.000 1.183 705 M CA 0.022 55.340 55.300 0.030 0.000 1.032 705 M CB 1.395 34.005 32.600 0.017 0.000 1.569 705 M HN -0.034 nan 8.290 nan 0.000 0.468 706 T N 2.638 117.191 114.554 -0.002 0.000 2.840 706 T HA 0.519 4.872 4.350 0.005 0.000 0.287 706 T C -0.927 173.704 174.700 -0.115 0.000 0.991 706 T CA -0.541 61.508 62.100 -0.084 0.000 0.964 706 T CB 1.445 70.278 68.868 -0.058 0.000 0.954 706 T HN 0.487 nan 8.240 nan 0.000 0.438 707 L N 3.598 124.726 121.223 -0.158 0.000 2.292 707 L HA 0.622 4.965 4.340 0.005 0.000 0.284 707 L C 0.006 176.748 176.870 -0.214 0.000 1.065 707 L CA -0.070 54.679 54.840 -0.151 0.000 0.806 707 L CB 0.785 42.758 42.059 -0.143 0.000 1.175 707 L HN 0.689 nan 8.230 nan 0.000 0.431 708 E N 5.453 125.556 120.200 -0.161 0.000 2.234 708 E HA 0.587 4.940 4.350 0.005 0.000 0.266 708 E C -1.585 174.945 176.600 -0.117 0.000 0.877 708 E CA -0.620 55.686 56.400 -0.156 0.000 0.758 708 E CB 1.328 30.962 29.700 -0.110 0.000 1.170 708 E HN 0.741 nan 8.360 nan 0.000 0.415 709 M N 3.528 123.051 119.600 -0.128 0.000 2.572 709 M HA 0.473 4.956 4.480 0.005 0.000 0.299 709 M C -1.132 175.158 176.300 -0.017 0.000 1.205 709 M CA -0.789 54.471 55.300 -0.067 0.000 0.876 709 M CB 2.522 35.062 32.600 -0.100 0.000 1.728 709 M HN 0.426 nan 8.290 nan 0.000 0.458 710 K N 0.359 120.778 120.400 0.033 0.000 2.546 710 K HA 0.697 5.020 4.320 0.005 0.000 0.264 710 K C -1.868 174.756 176.600 0.039 0.000 0.937 710 K CA -0.954 55.360 56.287 0.046 0.000 0.833 710 K CB 1.809 34.314 32.500 0.007 0.000 1.378 710 K HN 0.453 nan 8.250 nan 0.000 0.432 711 V N 2.235 122.183 119.914 0.056 0.000 2.498 711 V HA 0.381 4.504 4.120 0.005 0.000 0.279 711 V C -0.516 175.465 176.094 -0.189 0.000 1.048 711 V CA -0.552 61.734 62.300 -0.024 0.000 0.967 711 V CB 1.242 33.093 31.823 0.048 0.000 0.988 711 V HN 0.562 nan 8.190 nan 0.000 0.473 712 V N 4.184 123.823 119.914 -0.459 0.000 2.623 712 V HA 0.375 4.498 4.120 0.005 0.000 0.304 712 V C -0.417 175.331 176.094 -0.577 0.000 1.054 712 V CA -0.960 61.026 62.300 -0.524 0.000 0.882 712 V CB 2.041 33.464 31.823 -0.667 0.000 1.002 712 V HN 1.024 nan 8.190 nan 0.000 0.424 713 D N 3.100 123.337 120.400 -0.271 0.000 2.414 713 D HA 0.142 4.785 4.640 0.005 0.000 0.251 713 D C 0.716 177.086 176.300 0.117 0.000 1.252 713 D CA -0.411 53.478 54.000 -0.185 0.000 0.999 713 D CB 0.524 41.224 40.800 -0.166 0.000 1.093 713 D HN 0.231 nan 8.370 nan 0.000 0.515 714 F N -0.653 119.358 119.950 0.102 0.000 2.604 714 F HA 0.030 4.560 4.527 0.005 0.000 0.298 714 F C 1.507 177.377 175.800 0.116 0.000 1.131 714 F CA 0.162 58.278 58.000 0.194 0.000 1.457 714 F CB -0.639 38.472 39.000 0.185 0.000 1.095 714 F HN 0.279 nan 8.300 nan 0.000 0.574 715 D N -0.715 119.812 120.400 0.213 0.000 2.339 715 D HA 0.169 4.812 4.640 0.005 0.000 0.217 715 D C 2.159 178.519 176.300 0.100 0.000 1.050 715 D CA 0.994 55.069 54.000 0.125 0.000 0.856 715 D CB 0.310 41.156 40.800 0.076 0.000 0.922 715 D HN 0.356 nan 8.370 nan 0.000 0.518 716 G N 1.604 110.472 108.800 0.114 0.000 2.176 716 G HA2 -0.259 3.704 3.960 0.005 0.000 0.232 716 G HA3 -0.259 3.704 3.960 0.005 0.000 0.232 716 G C 0.392 175.310 174.900 0.029 0.000 0.986 716 G CA -0.045 45.107 45.100 0.086 0.000 0.643 716 G HN 0.350 nan 8.290 nan 0.000 0.522 717 K N 1.529 121.932 120.400 0.004 0.000 2.234 717 K HA 0.501 4.824 4.320 0.005 0.000 0.282 717 K C 0.192 176.760 176.600 -0.052 0.000 1.039 717 K CA -0.180 56.098 56.287 -0.015 0.000 0.928 717 K CB 0.406 32.899 32.500 -0.012 0.000 1.039 717 K HN 0.038 nan 8.250 nan 0.000 0.470 718 T N 2.841 117.369 114.554 -0.043 0.000 2.930 718 T HA 0.086 4.439 4.350 0.005 0.000 0.306 718 T C -0.373 174.298 174.700 -0.048 0.000 1.045 718 T CA -0.336 61.731 62.100 -0.055 0.000 1.134 718 T CB 0.393 69.245 68.868 -0.028 0.000 0.961 718 T HN 0.270 nan 8.240 nan 0.000 0.545 719 L N 3.626 124.816 121.223 -0.054 0.000 2.280 719 L HA 0.753 5.096 4.340 0.005 0.000 0.287 719 L C 1.109 177.986 176.870 0.012 0.000 1.023 719 L CA 0.116 54.935 54.840 -0.036 0.000 0.819 719 L CB -0.287 41.730 42.059 -0.070 0.000 1.212 719 L HN 1.295 nan 8.230 nan 0.000 0.420 720 G N 1.301 110.112 108.800 0.019 0.000 2.542 720 G HA2 0.168 4.131 3.960 0.005 0.000 0.235 720 G HA3 0.168 4.131 3.960 0.005 0.000 0.235 720 G C -0.194 174.722 174.900 0.027 0.000 1.286 720 G CA 0.177 45.302 45.100 0.041 0.000 0.904 720 G HN 1.206 nan 8.290 nan 0.000 0.577 721 K N 0.050 120.467 120.400 0.028 0.000 2.221 721 K HA 0.813 5.136 4.320 0.005 0.000 0.243 721 K C 0.491 177.094 176.600 0.006 0.000 0.968 721 K CA 0.106 56.398 56.287 0.009 0.000 0.846 721 K CB 0.754 nan 32.500 nan 0.000 1.141 721 K HN 0.892 nan 8.250 nan 0.000 0.434 722 K N 0.589 120.985 120.400 -0.006 0.000 2.485 722 K HA 0.194 4.517 4.320 0.005 0.000 0.277 722 K C -0.278 176.291 176.600 -0.051 0.000 0.990 722 K CA 0.320 56.594 56.287 -0.023 0.000 0.994 722 K CB 0.068 32.554 32.500 -0.023 0.000 0.906 722 K HN 0.523 nan 8.250 nan 0.000 0.488 723 I N 2.695 123.209 120.570 -0.093 0.000 2.412 723 I HA 0.122 4.295 4.170 0.005 0.000 0.296 723 I C -0.084 175.917 176.117 -0.193 0.000 0.987 723 I CA -0.625 60.580 61.300 -0.159 0.000 1.180 723 I CB 1.510 39.355 38.000 -0.258 0.000 1.340 723 I HN 0.320 nan 8.210 nan 0.000 0.455 724 Q N 5.864 125.554 119.800 -0.183 0.000 2.310 724 Q HA 0.477 4.819 4.340 0.005 0.000 0.270 724 Q C -1.263 174.567 176.000 -0.282 0.000 1.025 724 Q CA -0.690 54.951 55.803 -0.271 0.000 0.772 724 Q CB 3.012 31.640 28.738 -0.184 0.000 1.253 724 Q HN 0.400 nan 8.270 nan 0.000 0.450 725 V N 3.596 123.298 119.914 -0.353 0.000 2.326 725 V HA 0.336 4.459 4.120 0.005 0.000 0.281 725 V C 0.023 175.954 176.094 -0.271 0.000 1.015 725 V CA -0.732 61.438 62.300 -0.217 0.000 0.823 725 V CB 0.804 32.561 31.823 -0.110 0.000 1.009 725 V HN 0.655 nan 8.190 nan 0.000 0.436 726 H N 2.185 121.242 119.070 -0.022 0.000 2.523 726 H HA 0.445 5.004 4.556 0.004 0.000 0.345 726 H C 0.872 176.194 175.328 -0.011 0.000 1.261 726 H CA 0.115 56.153 56.048 -0.017 0.000 1.343 726 H CB 1.721 31.473 29.762 -0.017 0.000 1.650 726 H HN 0.712 nan 8.280 nan 0.000 0.591 727 S N -0.209 115.575 115.700 0.140 0.000 3.586 727 S HA -0.160 4.313 4.470 0.005 0.000 0.309 727 S C 0.162 174.786 174.600 0.040 0.000 1.195 727 S CA 0.087 58.330 58.200 0.071 0.000 0.895 727 S CB -1.808 61.428 63.200 0.059 0.000 0.983 727 S HN 0.364 nan 8.310 nan 0.000 0.563 728 L N 1.621 122.862 121.223 0.029 0.000 2.326 728 L HA 0.485 4.828 4.340 0.005 0.000 0.278 728 L C 0.705 177.584 176.870 0.014 0.000 1.092 728 L CA -0.302 54.546 54.840 0.013 0.000 0.810 728 L CB 0.753 42.811 42.059 -0.001 0.000 1.153 728 L HN 0.417 nan 8.230 nan 0.000 0.439 729 E N 2.169 122.376 120.200 0.011 0.000 2.207 729 E HA 0.569 4.922 4.350 0.005 0.000 0.270 729 E C -1.390 175.217 176.600 0.012 0.000 0.927 729 E CA -0.912 55.495 56.400 0.012 0.000 0.799 729 E CB 2.182 31.889 29.700 0.012 0.000 1.172 729 E HN 0.233 nan 8.360 nan 0.000 0.404 730 V N 3.327 123.250 119.914 0.015 0.000 2.289 730 V HA 0.317 4.440 4.120 0.005 0.000 0.272 730 V C -2.297 173.809 176.094 0.019 0.000 1.026 730 V CA -1.887 60.424 62.300 0.019 0.000 0.807 730 V CB 0.503 32.339 31.823 0.022 0.000 1.044 730 V HN 0.719 nan 8.190 nan 0.000 0.443 731 P HA 0.182 nan 4.420 nan 0.000 0.269 731 P C 0.122 177.434 177.300 0.020 0.000 1.215 731 P CA 0.054 63.164 63.100 0.016 0.000 0.780 731 P CB 0.617 32.328 31.700 0.018 0.000 0.898 732 A N 2.718 125.544 122.820 0.009 0.000 2.546 732 A HA 0.046 4.369 4.320 0.005 0.000 0.243 732 A C 0.666 178.271 177.584 0.035 0.000 1.063 732 A CA 0.224 52.266 52.037 0.009 0.000 0.757 732 A CB -1.071 17.909 19.000 -0.034 0.000 0.991 732 A HN 0.725 nan 8.150 nan 0.000 0.503 733 N N -0.130 118.613 118.700 0.072 0.000 2.756 733 N HA -0.143 4.600 4.740 0.005 0.000 0.248 733 N C -0.070 175.486 175.510 0.078 0.000 1.062 733 N CA 1.614 54.732 53.050 0.113 0.000 0.696 733 N CB -1.462 37.111 38.487 0.142 0.000 0.946 733 N HN 1.353 nan 8.380 nan 0.000 0.548 734 T N -4.060 110.525 114.554 0.052 0.000 2.868 734 T HA 0.654 5.007 4.350 0.005 0.000 0.306 734 T C -0.573 174.148 174.700 0.035 0.000 1.224 734 T CA -0.659 61.468 62.100 0.045 0.000 1.012 734 T CB 2.593 71.489 68.868 0.046 0.000 1.221 734 T HN 0.075 nan 8.240 nan 0.000 0.499 735 S N 0.569 116.302 115.700 0.054 0.000 2.561 735 S HA 0.695 5.168 4.470 0.005 0.000 0.303 735 S C -1.353 173.352 174.600 0.174 0.000 1.110 735 S CA -0.738 57.518 58.200 0.093 0.000 1.034 735 S CB 0.312 63.537 63.200 0.040 0.000 1.010 735 S HN 0.774 nan 8.310 nan 0.000 0.482 736 K N 2.584 123.101 120.400 0.195 0.000 2.498 736 K HA 0.387 4.710 4.320 0.005 0.000 0.254 736 K C -1.285 175.237 176.600 -0.130 0.000 0.933 736 K CA -0.746 55.594 56.287 0.089 0.000 0.806 736 K CB 1.759 34.275 32.500 0.027 0.000 1.301 736 K HN 0.624 nan 8.250 nan 0.000 0.432 737 C N 2.694 121.721 119.300 -0.454 0.000 2.514 737 C HA 0.296 4.759 4.460 0.005 0.000 0.392 737 C C 1.460 176.259 174.990 -0.318 0.000 1.294 737 C CA -0.174 58.366 59.018 -0.796 0.000 1.957 737 C CB -0.718 26.492 27.740 -0.882 0.000 2.541 737 C HN 0.707 nan 8.230 nan 0.000 0.569 738 V N 3.134 122.918 119.914 -0.217 0.000 3.432 738 V HA 0.408 4.531 4.120 0.005 0.000 0.298 738 V C -0.364 175.749 176.094 0.033 0.000 1.464 738 V CA -0.096 62.161 62.300 -0.071 0.000 1.046 738 V CB -0.803 31.002 31.823 -0.031 0.000 0.887 738 V HN 0.823 nan 8.190 nan 0.000 0.441 739 Y N 0.632 120.835 120.300 -0.161 0.000 2.409 739 Y HA 0.695 5.247 4.550 0.004 0.000 0.321 739 Y C -0.906 174.935 175.900 -0.098 0.000 1.209 739 Y CA -1.057 56.973 58.100 -0.117 0.000 1.086 739 Y CB 1.466 39.868 38.460 -0.096 0.000 1.320 739 Y HN 0.253 nan 8.280 nan 0.000 0.440 740 R N 4.359 124.406 120.500 -0.755 0.000 2.564 740 R HA 0.943 5.286 4.340 0.005 0.000 0.284 740 R C -2.002 173.896 176.300 -0.670 0.000 1.031 740 R CA -0.655 55.153 56.100 -0.486 0.000 0.904 740 R CB 1.700 31.848 30.300 -0.253 0.000 1.199 740 R HN 0.826 nan 8.270 nan 0.000 0.443 741 A N 2.005 124.620 122.820 -0.342 0.000 2.488 741 A HA 0.637 4.960 4.320 0.005 0.000 0.298 741 A C -0.943 176.698 177.584 0.095 0.000 1.044 741 A CA -0.678 51.245 52.037 -0.190 0.000 0.693 741 A CB 1.410 20.237 19.000 -0.289 0.000 1.272 741 A HN 0.831 nan 8.150 nan 0.000 0.402 742 K N 1.251 121.701 120.400 0.083 0.000 2.355 742 K HA 0.535 4.858 4.320 0.005 0.000 0.270 742 K C 0.692 177.456 176.600 0.274 0.000 1.003 742 K CA 0.290 56.660 56.287 0.139 0.000 0.957 742 K CB -0.199 32.346 32.500 0.074 0.000 0.939 742 K HN 0.733 nan 8.250 nan 0.000 0.482 743 L N 0.130 121.475 121.223 0.203 0.000 2.179 743 L HA -0.004 4.339 4.340 0.005 0.000 0.208 743 L C 1.079 177.996 176.870 0.079 0.000 1.096 743 L CA 0.352 55.266 54.840 0.124 0.000 0.779 743 L CB -0.002 42.030 42.059 -0.044 0.000 0.922 743 L HN 0.916 nan 8.230 nan 0.000 0.443 744 D N -0.133 120.308 120.400 0.068 0.000 2.417 744 D HA 0.305 4.948 4.640 0.005 0.000 0.250 744 D C 1.059 177.406 176.300 0.078 0.000 1.166 744 D CA 1.249 55.275 54.000 0.043 0.000 0.881 744 D CB 0.820 41.637 40.800 0.027 0.000 1.164 744 D HN 0.305 nan 8.370 nan 0.000 0.467 745 G N 3.179 112.017 108.800 0.065 0.000 2.217 745 G HA2 -0.312 3.651 3.960 0.005 0.000 0.246 745 G HA3 -0.312 3.651 3.960 0.005 0.000 0.246 745 G C 0.615 175.611 174.900 0.160 0.000 0.990 745 G CA 0.433 45.583 45.100 0.083 0.000 0.627 745 G HN 0.579 nan 8.290 nan 0.000 0.522 746 W N 0.814 122.082 121.300 -0.053 0.000 2.850 746 W HA 0.672 5.336 4.660 0.005 0.000 0.260 746 W C 0.276 176.734 176.519 -0.102 0.000 1.129 746 W CA 0.621 57.929 57.345 -0.061 0.000 1.587 746 W CB 0.159 29.594 29.460 -0.042 0.000 1.041 746 W HN 0.150 nan 8.180 nan 0.000 0.614 747 L N 1.922 122.992 121.223 -0.254 0.000 2.401 747 L HA 0.367 4.710 4.340 0.005 0.000 0.266 747 L C 0.526 177.234 176.870 -0.269 0.000 0.991 747 L CA -0.809 53.773 54.840 -0.429 0.000 0.818 747 L CB 2.045 43.582 42.059 -0.870 0.000 1.321 747 L HN -0.150 nan 8.230 nan 0.000 0.413 748 T N -1.727 112.701 114.554 -0.209 0.000 2.882 748 T HA 0.285 4.638 4.350 0.005 0.000 0.287 748 T C -1.983 172.619 174.700 -0.163 0.000 1.014 748 T CA -1.638 60.374 62.100 -0.146 0.000 1.049 748 T CB 1.232 70.036 68.868 -0.105 0.000 1.001 748 T HN 0.322 nan 8.240 nan 0.000 0.525 749 P HA -0.073 nan 4.420 nan 0.000 0.217 749 P C 1.662 178.907 177.300 -0.093 0.000 1.148 749 P CA 0.725 63.769 63.100 -0.093 0.000 0.828 749 P CB 0.005 31.670 31.700 -0.058 0.000 0.783 750 E N -0.788 119.355 120.200 -0.095 0.000 2.072 750 E HA -0.154 4.198 4.350 0.005 0.000 0.191 750 E C 1.733 178.253 176.600 -0.132 0.000 0.985 750 E CA 1.309 57.654 56.400 -0.092 0.000 0.801 750 E CB -1.253 28.400 29.700 -0.078 0.000 0.750 750 E HN 0.441 nan 8.360 nan 0.000 0.452 751 D N -0.114 120.181 120.400 -0.175 0.000 2.144 751 D HA -0.103 4.540 4.640 0.005 0.000 0.199 751 D C 2.101 178.258 176.300 -0.238 0.000 0.984 751 D CA 1.165 55.026 54.000 -0.231 0.000 0.834 751 D CB -0.564 40.063 40.800 -0.288 0.000 0.955 751 D HN 0.346 nan 8.370 nan 0.000 0.465 752 C N 0.687 119.847 119.300 -0.232 0.000 2.422 752 C HA -0.064 4.399 4.460 0.005 0.000 0.279 752 C C 2.372 177.402 174.990 0.066 0.000 1.305 752 C CA 0.366 59.312 59.018 -0.120 0.000 1.757 752 C CB -0.860 26.803 27.740 -0.129 0.000 1.962 752 C HN 0.331 nan 8.230 nan 0.000 0.499 753 R N -0.056 120.441 120.500 -0.004 0.000 2.297 753 R HA 0.100 4.443 4.340 0.005 0.000 0.197 753 R C 1.609 177.894 176.300 -0.025 0.000 0.943 753 R CA 0.454 56.586 56.100 0.053 0.000 1.038 753 R CB 0.006 30.319 30.300 0.022 0.000 0.957 753 R HN 0.555 nan 8.270 nan 0.000 0.484 754 R N -0.393 119.926 120.500 -0.302 0.000 2.541 754 R HA 0.136 4.479 4.340 0.005 0.000 0.332 754 R C -0.201 175.295 176.300 -1.339 0.000 0.951 754 R CA 0.073 55.658 56.100 -0.858 0.000 1.136 754 R CB 1.327 31.365 30.300 -0.437 0.000 1.449 754 R HN 0.063 nan 8.270 nan 0.000 0.531 755 S N -0.197 115.122 115.700 -0.634 0.000 2.720 755 S HA 0.758 5.231 4.470 0.005 0.000 0.287 755 S C -0.775 173.996 174.600 0.286 0.000 1.168 755 S CA -0.914 57.142 58.200 -0.240 0.000 0.832 755 S CB 1.612 64.679 63.200 -0.222 0.000 1.166 755 S HN 0.154 nan 8.310 nan 0.000 0.493 756 F N -1.178 118.828 119.950 0.093 0.000 2.643 756 F HA 0.850 5.380 4.527 0.005 0.000 0.314 756 F C -1.483 174.246 175.800 -0.118 0.000 1.096 756 F CA -1.453 56.386 58.000 -0.269 0.000 0.953 756 F CB 0.853 39.335 39.000 -0.864 0.000 1.345 756 F HN 0.611 nan 8.300 nan 0.000 0.468 757 L N 2.634 123.812 121.223 -0.075 0.000 2.289 757 L HA 0.515 4.858 4.340 0.005 0.000 0.285 757 L C -0.496 176.458 176.870 0.141 0.000 1.049 757 L CA -0.351 54.528 54.840 0.065 0.000 0.804 757 L CB 1.216 43.340 42.059 0.108 0.000 1.195 757 L HN 0.786 nan 8.230 nan 0.000 0.428 758 K N 4.368 124.847 120.400 0.131 0.000 2.185 758 K HA 0.711 5.034 4.320 0.005 0.000 0.269 758 K C -1.705 174.937 176.600 0.069 0.000 0.987 758 K CA -0.550 55.820 56.287 0.139 0.000 0.865 758 K CB 0.852 33.447 32.500 0.159 0.000 1.090 758 K HN 0.540 nan 8.250 nan 0.000 0.450 759 L N 6.096 127.348 121.223 0.048 0.000 2.410 759 L HA 0.562 4.905 4.340 0.005 0.000 0.270 759 L C -0.531 176.343 176.870 0.006 0.000 0.983 759 L CA -0.621 54.226 54.840 0.011 0.000 0.822 759 L CB 1.651 43.715 42.059 0.008 0.000 1.285 759 L HN 0.586 nan 8.230 nan 0.000 0.409 760 I N 0.421 120.983 120.570 -0.014 0.000 2.689 760 I HA 0.779 4.952 4.170 0.005 0.000 0.299 760 I C -1.621 174.481 176.117 -0.025 0.000 1.059 760 I CA -1.096 60.198 61.300 -0.010 0.000 1.055 760 I CB 2.422 40.419 38.000 -0.005 0.000 1.243 760 I HN 0.484 nan 8.210 nan 0.000 0.425 761 L N 5.735 126.952 121.223 -0.010 0.000 2.341 761 L HA 0.657 5.000 4.340 0.005 0.000 0.278 761 L C -0.900 175.973 176.870 0.004 0.000 1.005 761 L CA -0.012 54.821 54.840 -0.011 0.000 0.818 761 L CB 1.418 43.477 42.059 0.001 0.000 1.259 761 L HN 0.853 nan 8.230 nan 0.000 0.418 762 K N 1.840 122.241 120.400 0.002 0.000 2.508 762 K HA 0.604 4.927 4.320 0.005 0.000 0.260 762 K C -1.351 175.271 176.600 0.036 0.000 0.949 762 K CA -0.861 55.439 56.287 0.023 0.000 0.834 762 K CB 1.913 34.419 32.500 0.009 0.000 1.365 762 K HN 0.540 nan 8.250 nan 0.000 0.437 763 D N 0.962 121.401 120.400 0.064 0.000 2.414 763 D HA 0.015 4.658 4.640 0.005 0.000 0.259 763 D C 0.905 177.246 176.300 0.067 0.000 1.269 763 D CA -0.428 53.615 54.000 0.071 0.000 1.028 763 D CB 0.574 41.430 40.800 0.093 0.000 1.093 763 D HN 0.429 nan 8.370 nan 0.000 0.545 764 K N -0.309 120.130 120.400 0.066 0.000 2.074 764 K HA -0.138 4.185 4.320 0.005 0.000 0.209 764 K C 1.819 178.445 176.600 0.044 0.000 1.048 764 K CA 1.789 58.108 56.287 0.054 0.000 0.926 764 K CB -0.925 31.602 32.500 0.044 0.000 0.713 764 K HN 0.569 nan 8.250 nan 0.000 0.444 765 S N -1.490 114.249 115.700 0.064 0.000 2.603 765 S HA 0.184 4.657 4.470 0.005 0.000 0.220 765 S C 1.191 175.716 174.600 -0.125 0.000 0.967 765 S CA 0.538 58.752 58.200 0.023 0.000 0.920 765 S CB -0.026 63.254 63.200 0.134 0.000 0.773 765 S HN 0.433 nan 8.310 nan 0.000 0.529 766 G N 0.819 109.562 108.800 -0.094 0.000 2.141 766 G HA2 -0.228 3.735 3.960 0.005 0.000 0.242 766 G HA3 -0.228 3.735 3.960 0.005 0.000 0.242 766 G C -0.279 174.482 174.900 -0.232 0.000 0.982 766 G CA -0.114 44.895 45.100 -0.151 0.000 0.662 766 G HN 0.709 nan 8.290 nan 0.000 0.527 767 H N 0.502 119.580 119.070 0.013 0.000 2.742 767 H HA 0.470 5.029 4.556 0.005 0.000 0.302 767 H C 0.647 175.981 175.328 0.010 0.000 1.069 767 H CA 0.097 56.152 56.048 0.011 0.000 1.446 767 H CB 0.909 30.677 29.762 0.010 0.000 1.462 767 H HN 0.402 nan 8.280 nan 0.000 0.499 768 Q N 3.162 123.023 119.800 0.102 0.000 2.297 768 Q HA 0.089 4.432 4.340 0.005 0.000 0.267 768 Q C 0.616 176.655 176.000 0.065 0.000 1.006 768 Q CA -0.347 55.492 55.803 0.060 0.000 0.896 768 Q CB 0.734 29.495 28.738 0.039 0.000 1.186 768 Q HN 0.751 nan 8.270 nan 0.000 0.392 769 V N 0.610 120.554 119.914 0.049 0.000 3.661 769 V HA 0.652 4.775 4.120 0.005 0.000 0.271 769 V C 0.182 176.296 176.094 0.034 0.000 1.315 769 V CA 0.526 62.852 62.300 0.043 0.000 1.072 769 V CB 0.061 31.908 31.823 0.041 0.000 0.830 769 V HN 0.661 nan 8.190 nan 0.000 0.443 770 A N 0.801 123.638 122.820 0.029 0.000 2.597 770 A HA 0.773 5.096 4.320 0.005 0.000 0.292 770 A C -1.127 176.469 177.584 0.020 0.000 1.057 770 A CA -0.179 51.873 52.037 0.025 0.000 0.674 770 A CB 1.394 20.409 19.000 0.026 0.000 1.278 770 A HN 0.698 nan 8.150 nan 0.000 0.416 771 E N -0.109 120.103 120.200 0.020 0.000 2.392 771 E HA 0.783 5.136 4.350 0.005 0.000 0.279 771 E C -0.870 175.744 176.600 0.024 0.000 0.964 771 E CA -0.724 55.687 56.400 0.019 0.000 0.777 771 E CB 2.011 31.721 29.700 0.018 0.000 1.249 771 E HN 0.803 nan 8.360 nan 0.000 0.449 772 S N 0.664 116.382 115.700 0.029 0.000 2.579 772 S HA 0.602 5.075 4.470 0.005 0.000 0.272 772 S C -1.543 173.084 174.600 0.045 0.000 1.141 772 S CA -0.619 57.603 58.200 0.038 0.000 0.843 772 S CB 1.802 65.027 63.200 0.042 0.000 1.122 772 S HN 0.451 nan 8.310 nan 0.000 0.468 773 V N 3.085 123.026 119.914 0.045 0.000 2.628 773 V HA 0.549 4.672 4.120 0.005 0.000 0.306 773 V C -0.791 175.327 176.094 0.041 0.000 1.045 773 V CA -0.676 61.635 62.300 0.019 0.000 0.905 773 V CB 1.536 33.319 31.823 -0.067 0.000 0.997 773 V HN 0.970 nan 8.190 nan 0.000 0.436 774 H N 3.090 122.057 119.070 -0.171 0.000 2.529 774 H HA 0.681 5.240 4.556 0.005 0.000 0.348 774 H C -1.545 173.479 175.328 -0.506 0.000 1.079 774 H CA -0.621 55.284 56.048 -0.238 0.000 1.198 774 H CB 1.306 30.923 29.762 -0.242 0.000 1.521 774 H HN 0.451 nan 8.280 nan 0.000 0.514 775 F N 4.301 123.754 119.950 -0.828 0.000 2.458 775 F HA 0.251 4.781 4.527 0.005 0.000 0.330 775 F C 0.127 175.380 175.800 -0.911 0.000 1.082 775 F CA -0.583 57.034 58.000 -0.638 0.000 0.995 775 F CB 1.054 39.897 39.000 -0.262 0.000 1.170 775 F HN 0.572 nan 8.300 nan 0.000 0.478 776 F N 0.519 120.423 119.950 -0.077 0.000 2.746 776 F HA 0.291 4.821 4.527 0.005 0.000 0.297 776 F C 0.807 176.600 175.800 -0.012 0.000 1.113 776 F CA 0.020 57.986 58.000 -0.056 0.000 1.367 776 F CB 0.054 39.032 39.000 -0.037 0.000 1.111 776 F HN 0.137 nan 8.300 nan 0.000 0.590 777 R N 0.370 120.967 120.500 0.162 0.000 2.837 777 R HA 0.369 4.712 4.340 0.005 0.000 0.271 777 R C -0.331 175.958 176.300 -0.019 0.000 0.993 777 R CA -1.054 55.090 56.100 0.074 0.000 0.931 777 R CB 1.257 31.612 30.300 0.091 0.000 1.206 777 R HN 0.001 nan 8.270 nan 0.000 0.474 778 K N 0.338 120.688 120.400 -0.083 0.000 2.469 778 K HA 0.027 4.350 4.320 0.005 0.000 0.274 778 K C 0.952 177.414 176.600 -0.231 0.000 0.983 778 K CA 0.228 56.397 56.287 -0.196 0.000 0.974 778 K CB 0.420 32.799 32.500 -0.202 0.000 0.913 778 K HN 0.421 nan 8.250 nan 0.000 0.493 779 T N 2.314 116.627 114.554 -0.402 0.000 2.759 779 T HA -0.189 4.164 4.350 0.005 0.000 0.269 779 T C 1.597 176.155 174.700 -0.236 0.000 1.042 779 T CA 1.774 63.653 62.100 -0.370 0.000 1.140 779 T CB -0.107 68.455 68.868 -0.510 0.000 0.864 779 T HN 0.636 nan 8.240 nan 0.000 0.455 780 K N 0.906 121.130 120.400 -0.292 0.000 2.280 780 K HA -0.089 4.234 4.320 0.005 0.000 0.202 780 K C 1.022 177.546 176.600 -0.126 0.000 1.047 780 K CA 1.501 57.667 56.287 -0.201 0.000 0.942 780 K CB 0.026 32.408 32.500 -0.197 0.000 0.739 780 K HN 0.190 nan 8.250 nan 0.000 0.457 781 D N 0.830 121.176 120.400 -0.090 0.000 2.349 781 D HA 0.135 4.778 4.640 0.005 0.000 0.214 781 D C 0.251 176.576 176.300 0.042 0.000 1.063 781 D CA 0.082 54.064 54.000 -0.029 0.000 0.847 781 D CB 0.208 40.990 40.800 -0.030 0.000 0.933 781 D HN 0.168 nan 8.370 nan 0.000 0.513 782 L N 1.132 122.400 121.223 0.075 0.000 2.380 782 L HA 0.175 4.518 4.340 0.005 0.000 0.273 782 L C 0.786 177.809 176.870 0.255 0.000 1.138 782 L CA -0.068 54.905 54.840 0.222 0.000 0.832 782 L CB 0.686 42.889 42.059 0.239 0.000 1.124 782 L HN -0.337 nan 8.230 nan 0.000 0.454 783 Q N 3.979 123.979 119.800 0.334 0.000 2.835 783 Q HA 0.308 4.651 4.340 0.005 0.000 0.235 783 Q C -0.860 175.397 176.000 0.429 0.000 1.313 783 Q CA -0.204 55.771 55.803 0.285 0.000 1.053 783 Q CB 0.304 29.140 28.738 0.163 0.000 1.443 783 Q HN 0.495 nan 8.270 nan 0.000 0.576 784 L N 4.297 125.722 121.223 0.338 0.000 2.360 784 L HA 0.259 4.602 4.340 0.005 0.000 0.276 784 L C -1.863 175.123 176.870 0.194 0.000 1.121 784 L CA -1.845 53.135 54.840 0.233 0.000 0.845 784 L CB 0.074 42.200 42.059 0.113 0.000 1.143 784 L HN 0.225 nan 8.230 nan 0.000 0.452 785 P HA 0.229 nan 4.420 nan 0.000 0.275 785 P C -2.573 174.774 177.300 0.078 0.000 1.227 785 P CA -1.687 61.493 63.100 0.134 0.000 0.781 785 P CB 0.103 31.891 31.700 0.147 0.000 0.906 786 P HA 0.180 nan 4.420 nan 0.000 0.268 786 P C -0.152 177.178 177.300 0.050 0.000 1.204 786 P CA 0.669 63.791 63.100 0.037 0.000 0.768 786 P CB 0.379 32.088 31.700 0.015 0.000 0.842 787 T N 1.128 115.732 114.554 0.082 0.000 2.853 787 T HA 0.462 4.815 4.350 0.005 0.000 0.311 787 T C -1.336 173.399 174.700 0.058 0.000 1.307 787 T CA -0.551 61.567 62.100 0.031 0.000 1.019 787 T CB 0.863 69.694 68.868 -0.062 0.000 1.264 787 T HN 0.086 nan 8.240 nan 0.000 0.497 788 S N 2.473 118.176 115.700 0.006 0.000 2.520 788 S HA 0.552 5.025 4.470 0.005 0.000 0.324 788 S C -0.505 174.084 174.600 -0.018 0.000 1.069 788 S CA -0.534 57.680 58.200 0.024 0.000 1.121 788 S CB 0.014 63.233 63.200 0.031 0.000 0.971 788 S HN 0.587 nan 8.310 nan 0.000 0.463 789 V N 6.251 126.148 119.914 -0.029 0.000 2.405 789 V HA 0.317 4.440 4.120 0.005 0.000 0.264 789 V C 0.685 176.833 176.094 0.089 0.000 1.048 789 V CA -0.345 61.937 62.300 -0.030 0.000 0.966 789 V CB 0.357 32.124 31.823 -0.093 0.000 1.015 789 V HN 0.939 nan 8.190 nan 0.000 0.477 790 S N 5.682 121.458 115.700 0.127 0.000 2.654 790 S HA 0.854 5.327 4.470 0.005 0.000 0.283 790 S C -0.822 173.912 174.600 0.223 0.000 1.180 790 S CA -0.657 57.625 58.200 0.136 0.000 1.021 790 S CB 1.618 64.878 63.200 0.099 0.000 1.018 790 S HN 0.784 nan 8.310 nan 0.000 0.532 791 Y N -1.293 119.026 120.300 0.031 0.000 2.513 791 Y HA 0.678 5.231 4.550 0.005 0.000 0.340 791 Y C -0.948 174.957 175.900 0.009 0.000 1.055 791 Y CA -1.201 56.914 58.100 0.025 0.000 1.020 791 Y CB 0.915 39.377 38.460 0.005 0.000 1.301 791 Y HN 0.657 nan 8.280 nan 0.000 0.453 792 Q N 3.475 123.336 119.800 0.101 0.000 2.226 792 Q HA 0.622 4.965 4.340 0.005 0.000 0.256 792 Q C -1.214 174.873 176.000 0.145 0.000 0.962 792 Q CA -1.064 54.759 55.803 0.034 0.000 0.887 792 Q CB 2.653 31.399 28.738 0.013 0.000 1.282 792 Q HN 0.856 nan 8.270 nan 0.000 0.449 793 M N 1.601 121.260 119.600 0.099 0.000 2.393 793 M HA 0.379 4.862 4.480 0.005 0.000 0.299 793 M C -1.768 174.559 176.300 0.044 0.000 1.103 793 M CA -0.491 54.875 55.300 0.109 0.000 0.910 793 M CB 1.629 34.328 32.600 0.165 0.000 1.659 793 M HN 0.380 nan 8.290 nan 0.000 0.445 794 K N 4.233 124.650 120.400 0.028 0.000 2.521 794 K HA 0.332 4.655 4.320 0.005 0.000 0.248 794 K C -1.599 175.000 176.600 -0.001 0.000 0.978 794 K CA -0.323 55.969 56.287 0.008 0.000 0.947 794 K CB 1.427 33.929 32.500 0.004 0.000 1.165 794 K HN 0.845 nan 8.250 nan 0.000 0.445 795 Q N 3.048 122.846 119.800 -0.003 0.000 2.307 795 Q HA 0.305 4.648 4.340 0.005 0.000 0.262 795 Q C -0.857 175.134 176.000 -0.014 0.000 0.961 795 Q CA -0.415 55.380 55.803 -0.012 0.000 0.882 795 Q CB 1.533 30.265 28.738 -0.010 0.000 1.264 795 Q HN 0.758 nan 8.270 nan 0.000 0.446 796 T N -0.395 114.147 114.554 -0.019 0.000 2.742 796 T HA 0.380 4.733 4.350 0.005 0.000 0.282 796 T C -0.691 173.997 174.700 -0.021 0.000 1.025 796 T CA -0.941 61.149 62.100 -0.017 0.000 1.020 796 T CB 0.832 69.690 68.868 -0.015 0.000 1.317 796 T HN 0.523 nan 8.240 nan 0.000 0.538 797 D N 0.242 120.631 120.400 -0.017 0.000 2.417 797 D HA 0.445 5.088 4.640 0.005 0.000 0.250 797 D C 1.464 177.750 176.300 -0.023 0.000 1.166 797 D CA 1.685 55.674 54.000 -0.018 0.000 0.881 797 D CB 0.131 40.924 40.800 -0.013 0.000 1.164 797 D HN 1.111 nan 8.370 nan 0.000 0.467 798 G N 2.359 111.141 108.800 -0.029 0.000 2.205 798 G HA2 -0.331 3.632 3.960 0.005 0.000 0.261 798 G HA3 -0.331 3.632 3.960 0.005 0.000 0.261 798 G C 0.389 175.259 174.900 -0.051 0.000 0.980 798 G CA 0.509 45.587 45.100 -0.036 0.000 0.632 798 G HN 0.608 nan 8.290 nan 0.000 0.533 799 K N -0.694 119.675 120.400 -0.051 0.000 2.525 799 K HA 0.618 4.941 4.320 0.005 0.000 0.254 799 K C -1.251 175.314 176.600 -0.059 0.000 0.934 799 K CA -0.589 55.662 56.287 -0.059 0.000 0.802 799 K CB 1.554 34.027 32.500 -0.044 0.000 1.295 799 K HN 0.182 nan 8.250 nan 0.000 0.433 800 C N 2.923 122.177 119.300 -0.077 0.000 2.396 800 C HA 0.428 4.891 4.460 0.005 0.000 0.321 800 C C -1.012 173.945 174.990 -0.055 0.000 1.233 800 C CA -0.737 58.243 59.018 -0.063 0.000 1.440 800 C CB 1.058 28.748 27.740 -0.082 0.000 2.110 800 C HN 0.814 nan 8.230 nan 0.000 0.473 801 E N 2.546 122.731 120.200 -0.025 0.000 2.113 801 E HA 0.572 4.925 4.350 0.005 0.000 0.273 801 E C -1.254 175.353 176.600 0.013 0.000 0.924 801 E CA -0.397 55.996 56.400 -0.012 0.000 0.764 801 E CB 1.199 30.895 29.700 -0.006 0.000 1.104 801 E HN 0.408 nan 8.360 nan 0.000 0.406 802 L N 2.337 123.571 121.223 0.017 0.000 2.317 802 L HA 0.411 4.754 4.340 0.005 0.000 0.281 802 L C -0.027 176.885 176.870 0.071 0.000 1.024 802 L CA -0.382 54.494 54.840 0.060 0.000 0.810 802 L CB 1.920 43.983 42.059 0.007 0.000 1.240 802 L HN 0.402 nan 8.230 nan 0.000 0.427 803 T N 3.728 118.346 114.554 0.106 0.000 2.770 803 T HA 0.694 5.046 4.350 0.005 0.000 0.283 803 T C -0.493 174.302 174.700 0.158 0.000 0.988 803 T CA -0.411 61.750 62.100 0.102 0.000 0.957 803 T CB 0.871 69.783 68.868 0.072 0.000 0.930 803 T HN 0.077 nan 8.240 nan 0.000 0.443 804 L N 3.511 124.830 121.223 0.159 0.000 2.331 804 L HA 0.774 5.117 4.340 0.005 0.000 0.275 804 L C -0.695 176.315 176.870 0.233 0.000 1.022 804 L CA -0.729 54.225 54.840 0.190 0.000 0.812 804 L CB 1.271 43.418 42.059 0.147 0.000 1.257 804 L HN 0.654 nan 8.230 nan 0.000 0.435 805 F N 1.211 121.190 119.950 0.050 0.000 2.615 805 F HA 0.679 5.209 4.527 0.005 0.000 0.312 805 F C -0.814 174.991 175.800 0.008 0.000 1.119 805 F CA -0.268 57.748 58.000 0.027 0.000 0.979 805 F CB 2.040 41.052 39.000 0.021 0.000 1.266 805 F HN 0.357 nan 8.300 nan 0.000 0.444 806 S N 2.722 117.894 115.700 -0.879 0.000 2.614 806 S HA 0.356 4.829 4.470 0.005 0.000 0.275 806 S C 0.395 174.427 174.600 -0.947 0.000 1.161 806 S CA 0.019 57.797 58.200 -0.703 0.000 0.969 806 S CB 1.331 64.308 63.200 -0.373 0.000 1.059 806 S HN 0.982 nan 8.310 nan 0.000 0.482 807 S N 4.727 120.037 115.700 -0.649 0.000 2.419 807 S HA 0.088 4.561 4.470 0.005 0.000 0.233 807 S C 0.722 175.222 174.600 -0.168 0.000 1.016 807 S CA 0.671 58.671 58.200 -0.333 0.000 0.974 807 S CB -0.464 62.735 63.200 -0.002 0.000 0.786 807 S HN 0.699 nan 8.310 nan 0.000 0.492 808 M N 0.572 120.083 119.600 -0.148 0.000 2.662 808 M HA 0.493 4.976 4.480 0.005 0.000 0.310 808 M C -0.835 175.412 176.300 -0.089 0.000 1.204 808 M CA -1.114 54.161 55.300 -0.041 0.000 0.891 808 M CB 1.783 34.387 32.600 0.007 0.000 1.732 808 M HN 0.121 nan 8.290 nan 0.000 0.467 809 L N 2.249 123.463 121.223 -0.015 0.000 2.578 809 L HA 0.265 4.608 4.340 0.005 0.000 0.279 809 L C -0.488 176.244 176.870 -0.230 0.000 1.227 809 L CA 0.687 55.451 54.840 -0.127 0.000 0.900 809 L CB 0.177 42.118 42.059 -0.198 0.000 1.144 809 L HN 0.750 nan 8.230 nan 0.000 0.496 810 A N 5.243 127.890 122.820 -0.288 0.000 2.304 810 A HA 0.589 4.912 4.320 0.005 0.000 0.314 810 A C -0.590 176.846 177.584 -0.246 0.000 1.187 810 A CA -0.828 50.962 52.037 -0.411 0.000 0.810 810 A CB 0.821 19.416 19.000 -0.674 0.000 1.183 810 A HN 0.670 nan 8.150 nan 0.000 0.487 811 K N 2.212 122.527 120.400 -0.142 0.000 2.234 811 K HA 0.347 4.670 4.320 0.005 0.000 0.282 811 K C -0.444 176.120 176.600 -0.059 0.000 1.039 811 K CA 0.040 56.232 56.287 -0.158 0.000 0.928 811 K CB 0.334 32.715 32.500 -0.198 0.000 1.039 811 K HN 0.668 nan 8.250 nan 0.000 0.470 812 D N 2.869 123.213 120.400 -0.094 0.000 2.697 812 D HA -0.234 4.409 4.640 0.005 0.000 0.235 812 D C -0.020 176.288 176.300 0.015 0.000 1.167 812 D CA 1.103 55.088 54.000 -0.025 0.000 0.656 812 D CB -1.214 39.583 40.800 -0.005 0.000 1.025 812 D HN 0.642 nan 8.370 nan 0.000 0.419 813 I N -2.326 118.102 120.570 -0.236 0.000 2.692 813 I HA 0.323 4.496 4.170 0.005 0.000 0.284 813 I C -0.071 175.755 176.117 -0.485 0.000 1.159 813 I CA -0.309 60.783 61.300 -0.346 0.000 1.423 813 I CB 0.528 38.231 38.000 -0.496 0.000 1.380 813 I HN -0.104 nan 8.210 nan 0.000 0.580 814 F N 7.908 127.460 119.950 -0.663 0.000 2.427 814 F HA 0.613 5.143 4.527 0.005 0.000 0.348 814 F C -0.781 174.599 175.800 -0.700 0.000 1.125 814 F CA -1.895 55.541 58.000 -0.940 0.000 0.989 814 F CB 1.030 39.576 39.000 -0.755 0.000 1.165 814 F HN 0.375 nan 8.300 nan 0.000 0.442 815 I N 5.752 125.850 120.570 -0.786 0.000 2.291 815 I HA 0.245 4.418 4.170 0.005 0.000 0.290 815 I C -0.216 175.382 176.117 -0.865 0.000 1.050 815 I CA -0.202 60.698 61.300 -0.666 0.000 1.245 815 I CB 0.897 38.707 38.000 -0.317 0.000 1.405 815 I HN 0.560 nan 8.210 nan 0.000 0.478 816 E N 5.942 125.549 120.200 -0.988 0.000 2.151 816 E HA 0.486 4.839 4.350 0.005 0.000 0.275 816 E C -0.810 175.575 176.600 -0.358 0.000 0.936 816 E CA -0.543 55.307 56.400 -0.918 0.000 0.777 816 E CB 1.336 30.369 29.700 -1.112 0.000 1.108 816 E HN 0.636 nan 8.360 nan 0.000 0.401 817 T N 1.142 115.611 114.554 -0.142 0.000 2.907 817 T HA 0.454 4.807 4.350 0.005 0.000 0.292 817 T C -2.260 172.419 174.700 -0.036 0.000 1.043 817 T CA -1.902 60.150 62.100 -0.081 0.000 1.003 817 T CB 1.707 70.534 68.868 -0.068 0.000 1.084 817 T HN 0.237 nan 8.240 nan 0.000 0.483 818 P HA 0.237 nan 4.420 nan 0.000 0.249 818 P C 0.183 177.476 177.300 -0.012 0.000 1.229 818 P CA -0.192 62.897 63.100 -0.018 0.000 0.788 818 P CB 0.143 31.831 31.700 -0.020 0.000 1.072 819 L N 1.237 122.451 121.223 -0.015 0.000 2.325 819 L HA 0.130 4.473 4.340 0.005 0.000 0.284 819 L C 0.523 177.394 176.870 0.002 0.000 1.089 819 L CA -0.452 54.376 54.840 -0.019 0.000 0.836 819 L CB 0.404 42.437 42.059 -0.043 0.000 1.184 819 L HN -0.056 nan 8.230 nan 0.000 0.444 820 Q N 3.037 122.832 119.800 -0.008 0.000 2.330 820 Q HA 0.062 4.405 4.340 0.005 0.000 0.279 820 Q C 1.095 177.123 176.000 0.046 0.000 1.024 820 Q CA 0.898 56.705 55.803 0.008 0.000 0.900 820 Q CB 0.929 29.630 28.738 -0.062 0.000 1.221 820 Q HN 0.935 nan 8.270 nan 0.000 0.396 821 G N 1.794 110.650 108.800 0.094 0.000 2.187 821 G HA2 -0.325 3.638 3.960 0.005 0.000 0.261 821 G HA3 -0.325 3.638 3.960 0.005 0.000 0.261 821 G C 0.417 175.342 174.900 0.041 0.000 1.000 821 G CA 0.320 45.473 45.100 0.089 0.000 0.718 821 G HN 0.906 nan 8.290 nan 0.000 0.519 822 A N -0.331 122.503 122.820 0.022 0.000 2.498 822 A HA 0.611 4.934 4.320 0.005 0.000 0.239 822 A C 0.874 178.401 177.584 -0.095 0.000 1.068 822 A CA 0.480 52.465 52.037 -0.088 0.000 0.766 822 A CB 0.270 19.159 19.000 -0.185 0.000 1.003 822 A HN 0.605 nan 8.150 nan 0.000 0.497 823 R N 0.314 120.697 120.500 -0.194 0.000 2.604 823 R HA 0.547 4.890 4.340 0.005 0.000 0.287 823 R C -1.680 174.470 176.300 -0.249 0.000 0.970 823 R CA -0.297 55.699 56.100 -0.173 0.000 0.946 823 R CB 1.430 31.624 30.300 -0.177 0.000 1.127 823 R HN 0.742 nan 8.270 nan 0.000 0.473 824 Y N -0.332 119.877 120.300 -0.153 0.000 2.409 824 Y HA 0.079 4.632 4.550 0.005 0.000 0.343 824 Y C 1.430 177.301 175.900 -0.049 0.000 0.973 824 Y CA -0.543 57.524 58.100 -0.055 0.000 1.064 824 Y CB 2.314 40.796 38.460 0.038 0.000 1.207 824 Y HN 0.736 nan 8.280 nan 0.000 0.452 825 S N -0.152 115.611 115.700 0.106 0.000 2.399 825 S HA -0.082 4.391 4.470 0.005 0.000 0.231 825 S C 0.122 174.812 174.600 0.150 0.000 1.022 825 S CA 1.436 59.683 58.200 0.079 0.000 0.983 825 S CB 0.067 63.287 63.200 0.034 0.000 0.803 825 S HN 0.736 nan 8.310 nan 0.000 0.480 826 D N -0.719 119.801 120.400 0.200 0.000 2.648 826 D HA 0.601 5.244 4.640 0.005 0.000 0.244 826 D C -1.683 174.675 176.300 0.095 0.000 1.244 826 D CA -0.464 53.650 54.000 0.190 0.000 0.772 826 D CB 1.762 42.582 40.800 0.032 0.000 1.379 826 D HN 0.079 nan 8.370 nan 0.000 0.428 827 N N 0.222 118.765 118.700 -0.261 0.000 3.127 827 N HA 0.325 5.068 4.740 0.005 0.000 0.239 827 N C -1.234 173.948 175.510 -0.546 0.000 1.407 827 N CA -0.454 52.203 53.050 -0.656 0.000 0.891 827 N CB 0.758 38.518 38.487 -1.211 0.000 1.447 827 N HN 0.450 nan 8.380 nan 0.000 0.507 828 F N 0.022 119.631 119.950 -0.568 0.000 2.891 828 F HA -0.212 4.318 4.527 0.005 0.000 0.272 828 F C -0.500 175.170 175.800 -0.216 0.000 1.004 828 F CA 0.711 58.491 58.000 -0.366 0.000 0.938 828 F CB -1.758 37.074 39.000 -0.280 0.000 0.939 828 F HN 0.341 nan 8.300 nan 0.000 0.833 829 F N -2.123 117.798 119.950 -0.048 0.000 2.620 829 F HA 0.756 5.286 4.527 0.005 0.000 0.320 829 F C -0.305 175.453 175.800 -0.070 0.000 1.069 829 F CA -2.007 55.963 58.000 -0.050 0.000 0.953 829 F CB 0.934 39.895 39.000 -0.065 0.000 1.322 829 F HN -0.175 nan 8.300 nan 0.000 0.479 830 D N 2.490 123.004 120.400 0.191 0.000 2.295 830 D HA 0.238 4.881 4.640 0.005 0.000 0.248 830 D C -0.692 175.694 176.300 0.144 0.000 1.154 830 D CA -0.041 53.986 54.000 0.045 0.000 0.857 830 D CB 2.145 42.948 40.800 0.005 0.000 1.117 830 D HN 0.500 nan 8.370 nan 0.000 0.468 831 L N 4.048 125.298 121.223 0.045 0.000 2.325 831 L HA 0.198 4.541 4.340 0.005 0.000 0.284 831 L C -0.555 176.270 176.870 -0.075 0.000 1.089 831 L CA -0.156 54.716 54.840 0.054 0.000 0.836 831 L CB 0.151 42.205 42.059 -0.008 0.000 1.184 831 L HN 0.223 nan 8.230 nan 0.000 0.444 832 L N 7.282 128.471 121.223 -0.057 0.000 2.395 832 L HA 0.423 4.766 4.340 0.005 0.000 0.269 832 L C -1.831 175.026 176.870 -0.020 0.000 1.133 832 L CA -2.055 52.748 54.840 -0.063 0.000 0.812 832 L CB 0.602 42.652 42.059 -0.015 0.000 1.125 832 L HN 0.492 nan 8.230 nan 0.000 0.452 833 P HA -0.016 nan 4.420 nan 0.000 0.262 833 P C 0.706 177.991 177.300 -0.027 0.000 1.199 833 P CA 0.605 63.707 63.100 0.004 0.000 0.763 833 P CB 0.627 32.409 31.700 0.138 0.000 0.790 834 G N 2.555 111.233 108.800 -0.203 0.000 2.168 834 G HA2 -0.257 3.706 3.960 0.005 0.000 0.257 834 G HA3 -0.257 3.706 3.960 0.005 0.000 0.257 834 G C -0.157 174.824 174.900 0.135 0.000 0.997 834 G CA -0.083 44.983 45.100 -0.057 0.000 0.708 834 G HN 0.622 nan 8.290 nan 0.000 0.520 835 E N 0.566 120.786 120.200 0.034 0.000 2.141 835 E HA 0.580 4.933 4.350 0.005 0.000 0.259 835 E C 0.757 177.431 176.600 0.125 0.000 0.883 835 E CA -0.311 56.152 56.400 0.104 0.000 0.744 835 E CB 0.849 30.588 29.700 0.064 0.000 1.150 835 E HN 0.628 nan 8.360 nan 0.000 0.420 836 R N 2.515 123.135 120.500 0.200 0.000 2.679 836 R HA 0.141 4.483 4.340 0.005 0.000 0.268 836 R C -0.011 176.338 176.300 0.082 0.000 1.044 836 R CA 0.077 56.291 56.100 0.189 0.000 1.105 836 R CB 0.010 30.404 30.300 0.156 0.000 0.989 836 R HN 0.441 nan 8.270 nan 0.000 0.447 837 K N 1.062 121.504 120.400 0.070 0.000 2.601 837 K HA 0.282 4.605 4.320 0.005 0.000 0.249 837 K C -1.047 175.559 176.600 0.011 0.000 0.966 837 K CA -0.512 55.770 56.287 -0.008 0.000 0.827 837 K CB 1.548 34.015 32.500 -0.055 0.000 1.178 837 K HN 0.618 nan 8.250 nan 0.000 0.437 838 K N 3.434 123.823 120.400 -0.018 0.000 2.276 838 K HA 0.416 4.739 4.320 0.005 0.000 0.283 838 K C -1.152 175.438 176.600 -0.017 0.000 1.044 838 K CA -0.618 55.667 56.287 -0.003 0.000 0.944 838 K CB 0.995 33.491 32.500 -0.007 0.000 1.012 838 K HN 0.423 nan 8.250 nan 0.000 0.472 839 V N 6.258 126.182 119.914 0.017 0.000 2.577 839 V HA 0.381 4.503 4.120 0.005 0.000 0.303 839 V C -0.413 175.687 176.094 0.010 0.000 1.042 839 V CA -0.846 61.475 62.300 0.036 0.000 0.872 839 V CB 1.757 33.650 31.823 0.118 0.000 0.998 839 V HN 0.681 nan 8.190 nan 0.000 0.423 840 I N 5.662 126.229 120.570 -0.004 0.000 2.336 840 I HA 0.486 4.659 4.170 0.005 0.000 0.292 840 I C -0.434 175.623 176.117 -0.101 0.000 0.991 840 I CA -0.204 61.070 61.300 -0.043 0.000 1.227 840 I CB 1.434 39.413 38.000 -0.036 0.000 1.366 840 I HN 0.415 nan 8.210 nan 0.000 0.466 841 I N 5.574 126.042 120.570 -0.170 0.000 2.404 841 I HA 0.414 4.587 4.170 0.005 0.000 0.293 841 I C 0.056 176.037 176.117 -0.227 0.000 0.992 841 I CA -0.372 60.734 61.300 -0.324 0.000 1.149 841 I CB 1.913 39.640 38.000 -0.455 0.000 1.315 841 I HN 0.563 nan 8.210 nan 0.000 0.446 842 T N 1.596 116.013 114.554 -0.227 0.000 2.893 842 T HA 0.762 5.115 4.350 0.005 0.000 0.291 842 T C -0.594 174.023 174.700 -0.138 0.000 1.028 842 T CA -0.834 61.179 62.100 -0.145 0.000 0.995 842 T CB 2.022 70.830 68.868 -0.100 0.000 1.051 842 T HN 0.604 nan 8.240 nan 0.000 0.470 843 S N 1.674 117.317 115.700 -0.095 0.000 2.578 843 S HA 0.481 4.954 4.470 0.005 0.000 0.285 843 S C -2.632 171.941 174.600 -0.045 0.000 1.126 843 S CA -0.922 57.237 58.200 -0.069 0.000 0.878 843 S CB 1.510 64.664 63.200 -0.077 0.000 1.091 843 S HN 0.468 nan 8.310 nan 0.000 0.450 844 P HA 0.091 nan 4.420 nan 0.000 0.225 844 P C 1.176 178.467 177.300 -0.015 0.000 1.148 844 P CA 1.051 64.142 63.100 -0.016 0.000 0.779 844 P CB 0.013 31.711 31.700 -0.003 0.000 0.780 845 R N -0.380 120.108 120.500 -0.020 0.000 2.388 845 R HA 0.239 4.582 4.340 0.005 0.000 0.247 845 R C 0.690 176.974 176.300 -0.026 0.000 0.931 845 R CA -0.003 56.086 56.100 -0.017 0.000 1.082 845 R CB -1.338 28.954 30.300 -0.013 0.000 1.135 845 R HN 0.210 nan 8.270 nan 0.000 0.525 846 I N 2.663 123.212 120.570 -0.035 0.000 2.322 846 I HA 0.115 4.288 4.170 0.005 0.000 0.292 846 I C -0.380 175.720 176.117 -0.028 0.000 1.060 846 I CA -0.428 60.848 61.300 -0.039 0.000 1.309 846 I CB 1.469 39.436 38.000 -0.056 0.000 1.415 846 I HN 0.040 nan 8.210 nan 0.000 0.492 847 K N 3.882 124.269 120.400 -0.022 0.000 2.159 847 K HA 0.248 4.571 4.320 0.005 0.000 0.266 847 K C -0.161 176.430 176.600 -0.015 0.000 0.975 847 K CA -0.994 55.283 56.287 -0.016 0.000 0.865 847 K CB 1.713 34.206 32.500 -0.011 0.000 1.087 847 K HN 0.464 nan 8.250 nan 0.000 0.446 848 K N 0.592 120.984 120.400 -0.013 0.000 2.484 848 K HA 0.270 4.593 4.320 0.005 0.000 0.280 848 K C 1.429 178.024 176.600 -0.009 0.000 1.013 848 K CA 1.269 57.550 56.287 -0.011 0.000 1.029 848 K CB -0.209 32.285 32.500 -0.010 0.000 0.902 848 K HN 1.318 nan 8.250 nan 0.000 0.481 849 G N 0.878 109.673 108.800 -0.009 0.000 2.176 849 G HA2 -0.249 3.714 3.960 0.005 0.000 0.253 849 G HA3 -0.249 3.714 3.960 0.005 0.000 0.253 849 G C 0.172 175.068 174.900 -0.007 0.000 0.979 849 G CA 0.658 45.754 45.100 -0.007 0.000 0.641 849 G HN 1.247 nan 8.290 nan 0.000 0.530 850 E N 1.035 121.230 120.200 -0.008 0.000 2.751 850 E HA 0.579 4.932 4.350 0.005 0.000 0.219 850 E C 0.258 176.852 176.600 -0.010 0.000 1.060 850 E CA 0.323 56.718 56.400 -0.008 0.000 0.893 850 E CB -0.252 29.443 29.700 -0.008 0.000 1.300 850 E HN 1.042 nan 8.360 nan 0.000 0.433 851 E N 0.965 121.161 120.200 -0.006 0.000 2.481 851 E HA 0.142 4.495 4.350 0.005 0.000 0.263 851 E C 0.024 176.620 176.600 -0.006 0.000 0.992 851 E CA -0.596 55.802 56.400 -0.003 0.000 0.938 851 E CB 0.872 30.576 29.700 0.006 0.000 0.933 851 E HN 0.383 nan 8.360 nan 0.000 0.453 852 L N 5.218 126.434 121.223 -0.011 0.000 2.361 852 L HA 0.273 4.616 4.340 0.005 0.000 0.278 852 L C -2.330 174.526 176.870 -0.023 0.000 1.113 852 L CA -1.889 52.933 54.840 -0.031 0.000 0.849 852 L CB 0.404 42.428 42.059 -0.058 0.000 1.155 852 L HN 0.522 nan 8.230 nan 0.000 0.452 853 P HA 0.104 nan 4.420 nan 0.000 0.263 853 P C -1.275 175.980 177.300 -0.075 0.000 1.195 853 P CA 0.121 63.201 63.100 -0.032 0.000 0.762 853 P CB 0.620 32.300 31.700 -0.035 0.000 0.799 854 V N 3.794 123.659 119.914 -0.082 0.000 2.623 854 V HA 0.395 4.518 4.120 0.005 0.000 0.304 854 V C -0.305 175.677 176.094 -0.187 0.000 1.054 854 V CA -0.515 61.665 62.300 -0.200 0.000 0.882 854 V CB 1.986 33.582 31.823 -0.379 0.000 1.002 854 V HN 0.465 nan 8.190 nan 0.000 0.424 855 N N 4.565 123.109 118.700 -0.259 0.000 2.442 855 N HA 0.544 5.287 4.740 0.005 0.000 0.274 855 N C -1.168 174.124 175.510 -0.363 0.000 1.002 855 N CA -0.343 52.559 53.050 -0.247 0.000 0.910 855 N CB 1.212 39.559 38.487 -0.233 0.000 1.244 855 N HN 0.630 nan 8.380 nan 0.000 0.492 856 I N 3.086 123.484 120.570 -0.286 0.000 2.315 856 I HA 0.286 4.459 4.170 0.005 0.000 0.291 856 I C 0.214 176.154 176.117 -0.296 0.000 1.006 856 I CA -0.526 60.580 61.300 -0.324 0.000 1.265 856 I CB 0.959 38.819 38.000 -0.232 0.000 1.387 856 I HN 0.297 nan 8.210 nan 0.000 0.475 857 K N 5.419 125.560 120.400 -0.432 0.000 2.208 857 K HA 0.699 5.022 4.320 0.005 0.000 0.247 857 K C -1.017 175.318 176.600 -0.441 0.000 0.953 857 K CA -0.862 55.097 56.287 -0.546 0.000 0.837 857 K CB 2.006 33.947 32.500 -0.930 0.000 1.131 857 K HN 0.688 nan 8.250 nan 0.000 0.431 858 H N -1.759 117.060 119.070 -0.418 0.000 2.990 858 H HA 0.307 4.866 4.556 0.005 0.000 0.336 858 H C 0.231 175.579 175.328 0.032 0.000 1.306 858 H CA -0.960 54.999 56.048 -0.149 0.000 1.118 858 H CB 0.387 30.056 29.762 -0.155 0.000 1.856 858 H HN 0.283 nan 8.280 nan 0.000 0.538 859 I N 0.125 120.818 120.570 0.204 0.000 2.179 859 I HA -0.141 4.032 4.170 0.005 0.000 0.242 859 I C 2.427 178.529 176.117 -0.025 0.000 1.088 859 I CA 1.310 62.724 61.300 0.190 0.000 1.357 859 I CB -0.766 37.336 38.000 0.170 0.000 1.051 859 I HN 0.717 nan 8.210 nan 0.000 0.409 860 R N 1.633 122.053 120.500 -0.134 0.000 2.159 860 R HA -0.174 4.169 4.340 0.005 0.000 0.237 860 R C 1.951 177.856 176.300 -0.658 0.000 1.131 860 R CA 1.361 57.196 56.100 -0.442 0.000 0.982 860 R CB -0.447 29.766 30.300 -0.145 0.000 0.868 860 R HN 0.429 nan 8.270 nan 0.000 0.453 861 E N -1.008 118.827 120.200 -0.608 0.000 2.338 861 E HA -0.104 4.249 4.350 0.005 0.000 0.197 861 E C 1.156 177.571 176.600 -0.308 0.000 1.007 861 E CA 1.438 57.547 56.400 -0.485 0.000 0.849 861 E CB 0.062 29.417 29.700 -0.575 0.000 0.774 861 E HN 0.597 nan 8.360 nan 0.000 0.506 862 T N -1.576 112.837 114.554 -0.235 0.000 3.081 862 T HA -0.042 4.311 4.350 0.005 0.000 0.255 862 T C 0.361 175.129 174.700 0.114 0.000 1.113 862 T CA 0.083 62.184 62.100 0.001 0.000 1.082 862 T CB -0.258 68.707 68.868 0.160 0.000 0.939 862 T HN 0.207 nan 8.240 nan 0.000 0.506 863 Y N -1.171 119.127 120.300 -0.003 0.000 2.615 863 Y HA 0.822 5.374 4.550 0.005 0.000 0.341 863 Y C -0.423 175.479 175.900 0.003 0.000 1.089 863 Y CA -2.006 56.100 58.100 0.009 0.000 1.049 863 Y CB 1.238 39.711 38.460 0.021 0.000 1.296 863 Y HN -0.282 nan 8.280 nan 0.000 0.470 864 K N 0.000 120.524 120.400 0.206 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.348 56.287 0.102 0.000 0.838 864 K CB 0.000 32.542 32.500 0.070 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543