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 2je8_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 0.000 175.508 175.510 -0.004 0.000 1.280 28 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 28 N CB 0.000 38.488 38.487 0.002 0.000 1.341 29 D N -2.125 118.277 120.400 0.004 0.000 2.759 29 D HA 0.268 4.911 4.640 0.005 0.000 0.321 29 D C -0.063 176.254 176.300 0.027 0.000 1.267 29 D CA 0.287 54.293 54.000 0.010 0.000 0.933 29 D CB 0.558 41.359 40.800 0.001 0.000 1.431 29 D HN 0.349 nan 8.370 nan 0.000 0.504 30 T N -2.583 111.995 114.554 0.040 0.000 3.148 30 T HA 0.196 4.549 4.350 0.005 0.000 0.253 30 T C 0.729 175.479 174.700 0.082 0.000 1.134 30 T CA 0.240 62.371 62.100 0.052 0.000 1.051 30 T CB -0.896 68.001 68.868 0.049 0.000 0.959 30 T HN 0.563 nan 8.240 nan 0.000 0.525 31 S N 0.572 116.332 115.700 0.099 0.000 2.593 31 S HA 0.321 4.794 4.470 0.005 0.000 0.269 31 S C -0.252 174.430 174.600 0.137 0.000 1.334 31 S CA -0.895 57.398 58.200 0.154 0.000 1.015 31 S CB 1.242 64.529 63.200 0.145 0.000 0.912 31 S HN 0.615 nan 8.310 nan 0.000 0.541 32 E N 0.684 121.006 120.200 0.204 0.000 2.199 32 E HA 0.552 4.905 4.350 0.005 0.000 0.269 32 E C -1.647 175.111 176.600 0.265 0.000 0.899 32 E CA -0.963 55.552 56.400 0.191 0.000 0.772 32 E CB 1.617 31.407 29.700 0.151 0.000 1.155 32 E HN 0.546 nan 8.360 nan 0.000 0.408 33 V N 5.505 125.520 119.914 0.169 0.000 2.448 33 V HA 0.372 4.495 4.120 0.005 0.000 0.295 33 V C -0.038 176.140 176.094 0.139 0.000 1.025 33 V CA -0.569 61.813 62.300 0.137 0.000 0.859 33 V CB 1.515 33.374 31.823 0.059 0.000 0.988 33 V HN 0.818 nan 8.190 nan 0.000 0.431 34 M N 5.557 125.252 119.600 0.159 0.000 2.149 34 M HA 0.530 5.013 4.480 0.005 0.000 0.342 34 M C -0.992 175.318 176.300 0.016 0.000 1.068 34 M CA -0.421 54.945 55.300 0.110 0.000 0.991 34 M CB 1.488 34.199 32.600 0.185 0.000 1.596 34 M HN 0.450 nan 8.290 nan 0.000 0.439 35 L N 5.089 126.326 121.223 0.023 0.000 2.276 35 L HA 0.365 4.708 4.340 0.005 0.000 0.286 35 L C -0.244 176.646 176.870 0.033 0.000 1.061 35 L CA -0.420 54.430 54.840 0.017 0.000 0.807 35 L CB 0.527 42.608 42.059 0.038 0.000 1.177 35 L HN 0.646 nan 8.230 nan 0.000 0.429 36 L N 4.414 125.660 121.223 0.038 0.000 2.466 36 L HA 0.131 4.474 4.340 0.005 0.000 0.248 36 L C 0.173 177.289 176.870 0.411 0.000 1.240 36 L CA -0.091 54.832 54.840 0.138 0.000 1.180 36 L CB -0.370 41.726 42.059 0.061 0.000 1.413 36 L HN 0.708 nan 8.230 nan 0.000 0.406 37 D N -1.123 119.454 120.400 0.294 0.000 2.479 37 D HA 0.067 4.710 4.640 0.005 0.000 0.218 37 D C 0.391 176.888 176.300 0.327 0.000 1.177 37 D CA -0.076 54.102 54.000 0.296 0.000 0.830 37 D CB 0.505 41.395 40.800 0.150 0.000 1.014 37 D HN 0.321 nan 8.370 nan 0.000 0.503 38 T N -5.502 109.269 114.554 0.362 0.000 2.864 38 T HA 0.545 4.898 4.350 0.005 0.000 0.299 38 T C 0.875 175.724 174.700 0.248 0.000 1.166 38 T CA -0.354 61.925 62.100 0.299 0.000 1.007 38 T CB 1.607 70.581 68.868 0.176 0.000 1.219 38 T HN 0.365 nan 8.240 nan 0.000 0.506 39 G N -0.389 108.541 108.800 0.216 0.000 2.159 39 G HA2 -0.205 3.758 3.960 0.005 0.000 0.256 39 G HA3 -0.205 3.758 3.960 0.005 0.000 0.256 39 G C -0.218 174.748 174.900 0.109 0.000 0.977 39 G CA -0.109 45.059 45.100 0.113 0.000 0.652 39 G HN 0.800 nan 8.290 nan 0.000 0.531 40 W N 0.819 122.232 121.300 0.188 0.000 2.313 40 W HA 0.673 5.336 4.660 0.005 0.000 0.328 40 W C 0.738 177.419 176.519 0.271 0.000 1.197 40 W CA -0.404 57.087 57.345 0.243 0.000 1.235 40 W CB 0.734 30.381 29.460 0.311 0.000 1.158 40 W HN 0.175 nan 8.180 nan 0.000 0.578 41 E N 1.663 122.198 120.200 0.559 0.000 2.369 41 E HA 0.592 4.945 4.350 0.005 0.000 0.270 41 E C -1.263 175.708 176.600 0.620 0.000 0.909 41 E CA -1.138 55.584 56.400 0.536 0.000 0.775 41 E CB 2.393 32.327 29.700 0.391 0.000 1.270 41 E HN 0.338 nan 8.360 nan 0.000 0.445 42 F N -0.874 119.193 119.950 0.195 0.000 2.629 42 F HA 0.815 5.345 4.527 0.005 0.000 0.316 42 F C -0.929 174.715 175.800 -0.259 0.000 1.081 42 F CA -0.774 57.082 58.000 -0.240 0.000 0.954 42 F CB 1.877 40.332 39.000 -0.908 0.000 1.337 42 F HN 0.417 nan 8.300 nan 0.000 0.474 43 S N 0.806 116.088 115.700 -0.697 0.000 2.537 43 S HA 0.290 4.763 4.470 0.005 0.000 0.271 43 S C -1.619 172.720 174.600 -0.435 0.000 1.148 43 S CA -1.000 56.650 58.200 -0.918 0.000 0.868 43 S CB 1.657 63.836 63.200 -1.701 0.000 1.115 43 S HN 1.079 nan 8.310 nan 0.000 0.461 44 Q N 1.560 121.105 119.800 -0.425 0.000 2.297 44 Q HA 0.291 4.634 4.340 0.005 0.000 0.267 44 Q C 0.043 175.701 176.000 -0.570 0.000 1.006 44 Q CA -0.032 55.329 55.803 -0.737 0.000 0.896 44 Q CB 0.620 28.989 28.738 -0.614 0.000 1.186 44 Q HN 0.781 nan 8.270 nan 0.000 0.392 45 S N 2.784 118.145 115.700 -0.564 0.000 2.546 45 S HA 0.276 4.749 4.470 0.005 0.000 0.290 45 S C 0.980 175.443 174.600 -0.228 0.000 1.290 45 S CA 1.126 59.137 58.200 -0.314 0.000 1.069 45 S CB -0.017 63.040 63.200 -0.238 0.000 0.846 45 S HN 1.019 nan 8.310 nan 0.000 0.495 46 G N 2.882 111.600 108.800 -0.136 0.000 2.194 46 G HA2 -0.289 3.674 3.960 0.005 0.000 0.236 46 G HA3 -0.289 3.674 3.960 0.005 0.000 0.236 46 G C 0.820 175.648 174.900 -0.120 0.000 0.987 46 G CA 1.037 46.079 45.100 -0.098 0.000 0.635 46 G HN 1.265 nan 8.290 nan 0.000 0.520 47 T N -2.311 112.133 114.554 -0.184 0.000 3.037 47 T HA 0.376 4.729 4.350 0.005 0.000 0.252 47 T C 1.178 175.782 174.700 -0.160 0.000 1.073 47 T CA 1.264 63.257 62.100 -0.180 0.000 1.091 47 T CB -0.064 68.666 68.868 -0.230 0.000 0.935 47 T HN 0.781 nan 8.240 nan 0.000 0.488 48 E N 0.129 120.221 120.200 -0.180 0.000 3.547 48 E HA -0.207 4.146 4.350 0.005 0.000 0.300 48 E C 0.021 176.543 176.600 -0.130 0.000 0.857 48 E CA 0.862 57.209 56.400 -0.088 0.000 1.039 48 E CB -1.328 28.380 29.700 0.013 0.000 1.524 48 E HN 0.696 nan 8.360 nan 0.000 0.457 49 K N 0.646 120.853 120.400 -0.322 0.000 2.293 49 K HA 0.346 4.669 4.320 0.005 0.000 0.267 49 K C -1.110 175.212 176.600 -0.464 0.000 1.010 49 K CA -0.525 55.610 56.287 -0.253 0.000 0.875 49 K CB 0.704 33.080 32.500 -0.207 0.000 1.106 49 K HN -0.042 nan 8.250 nan 0.000 0.450 50 W N 5.414 126.628 121.300 -0.143 0.000 2.520 50 W HA 0.465 5.128 4.660 0.005 0.000 0.323 50 W C -0.274 176.128 176.519 -0.195 0.000 1.062 50 W CA -0.660 56.582 57.345 -0.171 0.000 1.215 50 W CB 1.391 30.807 29.460 -0.073 0.000 1.340 50 W HN 0.318 nan 8.180 nan 0.000 0.516 51 M N 3.674 123.230 119.600 -0.074 0.000 2.619 51 M HA 0.430 4.913 4.480 0.005 0.000 0.297 51 M C -2.450 173.998 176.300 0.248 0.000 1.229 51 M CA -2.198 53.053 55.300 -0.081 0.000 0.860 51 M CB 2.145 34.473 32.600 -0.453 0.000 1.741 51 M HN -0.020 nan 8.290 nan 0.000 0.462 52 P HA 0.196 nan 4.420 nan 0.000 0.266 52 P C -1.359 176.316 177.300 0.625 0.000 1.195 52 P CA 0.002 63.373 63.100 0.451 0.000 0.768 52 P CB 0.478 32.411 31.700 0.389 0.000 0.838 53 A N 2.482 125.608 122.820 0.510 0.000 2.435 53 A HA 0.792 5.115 4.320 0.005 0.000 0.296 53 A C -0.673 177.072 177.584 0.269 0.000 1.147 53 A CA -0.404 51.855 52.037 0.369 0.000 0.775 53 A CB 1.035 20.314 19.000 0.465 0.000 1.340 53 A HN 0.401 nan 8.150 nan 0.000 0.427 54 T N 0.800 115.426 114.554 0.119 0.000 2.792 54 T HA 0.574 4.927 4.350 0.005 0.000 0.280 54 T C -0.973 173.700 174.700 -0.045 0.000 0.990 54 T CA -0.254 61.887 62.100 0.069 0.000 0.960 54 T CB 1.098 69.984 68.868 0.030 0.000 0.939 54 T HN 0.529 nan 8.240 nan 0.000 0.439 55 V N 5.695 125.552 119.914 -0.094 0.000 2.588 55 V HA 0.435 4.558 4.120 0.005 0.000 0.304 55 V C -2.299 173.714 176.094 -0.135 0.000 1.042 55 V CA -2.207 59.911 62.300 -0.303 0.000 0.877 55 V CB 1.886 33.148 31.823 -0.935 0.000 0.996 55 V HN 0.681 nan 8.190 nan 0.000 0.425 56 P HA 0.497 nan 4.420 nan 0.000 0.269 56 P C 0.166 177.397 177.300 -0.115 0.000 1.209 56 P CA 0.396 63.413 63.100 -0.139 0.000 0.776 56 P CB 0.862 32.524 31.700 -0.064 0.000 0.876 57 G N 0.247 108.950 108.800 -0.161 0.000 2.494 57 G HA2 0.633 4.596 3.960 0.005 0.000 0.308 57 G HA3 0.633 4.596 3.960 0.005 0.000 0.308 57 G C -1.470 173.306 174.900 -0.206 0.000 1.263 57 G CA -0.356 44.659 45.100 -0.142 0.000 0.840 57 G HN 0.644 nan 8.290 nan 0.000 0.479 58 T N -2.800 111.618 114.554 -0.227 0.000 2.896 58 T HA 0.544 4.897 4.350 0.005 0.000 0.297 58 T C 0.927 175.418 174.700 -0.348 0.000 1.108 58 T CA 0.045 61.978 62.100 -0.278 0.000 1.004 58 T CB 1.577 70.342 68.868 -0.173 0.000 1.159 58 T HN 0.724 nan 8.240 nan 0.000 0.499 59 V N 1.062 120.712 119.914 -0.440 0.000 2.332 59 V HA -0.187 3.936 4.120 0.005 0.000 0.248 59 V C 2.440 178.126 176.094 -0.679 0.000 1.055 59 V CA 2.137 64.030 62.300 -0.678 0.000 1.038 59 V CB -1.174 30.009 31.823 -1.067 0.000 0.651 59 V HN 0.972 nan 8.190 nan 0.000 0.450 60 H N -0.722 118.040 119.070 -0.513 0.000 2.353 60 H HA -0.165 4.394 4.556 0.005 0.000 0.300 60 H C 2.286 177.433 175.328 -0.301 0.000 1.090 60 H CA 1.836 57.642 56.048 -0.402 0.000 1.327 60 H CB -0.184 29.373 29.762 -0.342 0.000 1.383 60 H HN 0.356 nan 8.280 nan 0.000 0.508 61 Q N 0.833 120.541 119.800 -0.153 0.000 2.079 61 Q HA -0.130 4.213 4.340 0.005 0.000 0.200 61 Q C 1.338 177.225 176.000 -0.190 0.000 0.974 61 Q CA 1.690 57.408 55.803 -0.141 0.000 0.840 61 Q CB -0.179 28.493 28.738 -0.109 0.000 0.898 61 Q HN 0.410 nan 8.270 nan 0.000 0.430 62 D N -0.230 119.974 120.400 -0.326 0.000 2.123 62 D HA -0.151 4.492 4.640 0.005 0.000 0.196 62 D C 1.911 178.123 176.300 -0.146 0.000 0.992 62 D CA 1.153 54.892 54.000 -0.435 0.000 0.833 62 D CB -0.146 39.964 40.800 -1.151 0.000 0.954 62 D HN 0.312 nan 8.370 nan 0.000 0.455 63 L N 0.380 121.522 121.223 -0.135 0.000 2.056 63 L HA -0.120 4.223 4.340 0.005 0.000 0.207 63 L C 2.577 179.508 176.870 0.101 0.000 1.078 63 L CA 0.640 55.557 54.840 0.128 0.000 0.749 63 L CB -0.313 41.743 42.059 -0.005 0.000 0.901 63 L HN -0.008 nan 8.230 nan 0.000 0.433 64 I N -0.087 120.478 120.570 -0.009 0.000 2.208 64 I HA -0.336 3.837 4.170 0.005 0.000 0.245 64 I C 2.790 178.895 176.117 -0.019 0.000 1.097 64 I CA 1.703 63.000 61.300 -0.005 0.000 1.363 64 I CB -0.340 37.632 38.000 -0.046 0.000 1.051 64 I HN 0.371 nan 8.210 nan 0.000 0.413 65 S N -0.267 115.377 115.700 -0.095 0.000 2.442 65 S HA -0.202 4.271 4.470 0.005 0.000 0.236 65 S C 1.641 176.062 174.600 -0.298 0.000 1.007 65 S CA 1.094 59.168 58.200 -0.209 0.000 0.965 65 S CB -0.454 62.561 63.200 -0.309 0.000 0.773 65 S HN 0.496 nan 8.310 nan 0.000 0.504 66 H N 1.093 120.232 119.070 0.115 0.000 2.520 66 H HA 0.339 4.898 4.556 0.005 0.000 0.284 66 H C 0.025 175.418 175.328 0.108 0.000 1.037 66 H CA 0.384 56.509 56.048 0.128 0.000 1.168 66 H CB -0.170 29.701 29.762 0.181 0.000 1.497 66 H HN 0.600 nan 8.280 nan 0.000 0.547 67 E N 0.608 120.897 120.200 0.148 0.000 2.476 67 E HA -0.206 4.147 4.350 0.005 0.000 0.251 67 E C 0.459 177.152 176.600 0.155 0.000 1.130 67 E CA 0.135 56.610 56.400 0.124 0.000 0.736 67 E CB -1.483 28.277 29.700 0.101 0.000 1.298 67 E HN 0.463 nan 8.360 nan 0.000 0.400 68 L N -0.377 120.967 121.223 0.201 0.000 2.585 68 L HA 0.264 4.607 4.340 0.005 0.000 0.226 68 L C 0.755 177.798 176.870 0.289 0.000 1.113 68 L CA 0.397 55.383 54.840 0.243 0.000 0.876 68 L CB 0.274 42.516 42.059 0.305 0.000 1.072 68 L HN 0.112 nan 8.230 nan 0.000 0.468 69 L N -0.257 121.091 121.223 0.208 0.000 2.393 69 L HA 0.504 4.847 4.340 0.005 0.000 0.260 69 L C -2.282 174.669 176.870 0.135 0.000 1.002 69 L CA -1.784 53.176 54.840 0.200 0.000 0.818 69 L CB 2.584 44.711 42.059 0.114 0.000 1.369 69 L HN -0.217 nan 8.230 nan 0.000 0.412 70 P HA 0.048 nan 4.420 nan 0.000 0.275 70 P C -0.891 176.463 177.300 0.090 0.000 1.266 70 P CA -0.539 62.630 63.100 0.115 0.000 0.793 70 P CB 0.419 32.205 31.700 0.144 0.000 1.074 71 N N 1.618 120.375 118.700 0.096 0.000 2.417 71 N HA -0.020 4.723 4.740 0.005 0.000 0.272 71 N C -1.341 174.244 175.510 0.124 0.000 1.304 71 N CA -1.399 51.702 53.050 0.085 0.000 0.906 71 N CB -0.106 38.482 38.487 0.169 0.000 1.135 71 N HN 0.180 nan 8.380 nan 0.000 0.483 72 P HA -0.082 nan 4.420 nan 0.000 0.222 72 P C 0.678 178.180 177.300 0.336 0.000 1.147 72 P CA 1.005 64.134 63.100 0.049 0.000 0.790 72 P CB 0.023 31.626 31.700 -0.162 0.000 0.780 73 F N -2.200 117.930 119.950 0.300 0.000 2.789 73 F HA 0.156 4.686 4.527 0.005 0.000 0.300 73 F C 1.189 177.318 175.800 0.549 0.000 1.132 73 F CA -1.179 57.093 58.000 0.454 0.000 1.404 73 F CB -1.408 37.822 39.000 0.383 0.000 1.114 73 F HN -0.113 nan 8.300 nan 0.000 0.584 74 Y N 0.773 121.398 120.300 0.542 0.000 2.313 74 Y HA 0.483 5.036 4.550 0.005 0.000 0.332 74 Y C 1.148 177.321 175.900 0.455 0.000 1.071 74 Y CA 0.116 58.493 58.100 0.461 0.000 1.169 74 Y CB 0.436 39.080 38.460 0.308 0.000 1.192 74 Y HN 0.292 nan 8.280 nan 0.000 0.487 75 G N 4.992 113.640 108.800 -0.253 0.000 2.622 75 G HA2 -0.334 3.629 3.960 0.005 0.000 0.307 75 G HA3 -0.334 3.629 3.960 0.005 0.000 0.307 75 G C 0.485 175.564 174.900 0.298 0.000 1.226 75 G CA 0.673 45.742 45.100 -0.052 0.000 0.997 75 G HN 0.594 nan 8.290 nan 0.000 0.551 76 M N 2.034 121.786 119.600 0.253 0.000 2.493 76 M HA 0.203 4.686 4.480 0.005 0.000 0.244 76 M C 1.579 178.005 176.300 0.210 0.000 1.182 76 M CA -0.022 55.405 55.300 0.211 0.000 0.981 76 M CB -0.566 32.133 32.600 0.164 0.000 1.551 76 M HN 0.402 nan 8.290 nan 0.000 0.476 77 N N 1.141 120.001 118.700 0.266 0.000 2.512 77 N HA -0.130 4.613 4.740 0.005 0.000 0.183 77 N C 1.561 177.179 175.510 0.180 0.000 1.073 77 N CA 0.573 53.767 53.050 0.240 0.000 0.911 77 N CB -0.045 38.616 38.487 0.290 0.000 0.964 77 N HN 0.542 nan 8.380 nan 0.000 0.447 78 E N 1.357 121.645 120.200 0.148 0.000 2.085 78 E HA -0.208 4.145 4.350 0.005 0.000 0.194 78 E C 1.735 178.376 176.600 0.068 0.000 0.994 78 E CA 1.098 57.537 56.400 0.065 0.000 0.801 78 E CB 0.065 29.761 29.700 -0.007 0.000 0.743 78 E HN 0.210 nan 8.360 nan 0.000 0.453 79 K N 0.489 120.942 120.400 0.089 0.000 2.209 79 K HA -0.143 4.180 4.320 0.005 0.000 0.204 79 K C 1.775 178.458 176.600 0.139 0.000 1.048 79 K CA 1.304 57.649 56.287 0.095 0.000 0.940 79 K CB 0.110 32.663 32.500 0.088 0.000 0.729 79 K HN 0.020 nan 8.250 nan 0.000 0.451 80 K N 0.473 120.970 120.400 0.162 0.000 2.432 80 K HA -0.011 4.312 4.320 0.005 0.000 0.196 80 K C 1.685 178.466 176.600 0.302 0.000 1.038 80 K CA 0.860 57.279 56.287 0.221 0.000 0.986 80 K CB 0.134 32.756 32.500 0.203 0.000 0.782 80 K HN 0.403 nan 8.250 nan 0.000 0.485 81 I N -2.805 117.873 120.570 0.179 0.000 4.018 81 I HA 0.065 4.238 4.170 0.005 0.000 0.337 81 I C 1.168 177.231 176.117 -0.091 0.000 1.327 81 I CA -0.155 61.174 61.300 0.047 0.000 1.100 81 I CB 0.315 38.335 38.000 0.034 0.000 1.025 81 I HN -0.157 nan 8.210 nan 0.000 0.396 82 Q N 1.911 121.744 119.800 0.055 0.000 2.226 82 Q HA -0.140 4.203 4.340 0.005 0.000 0.204 82 Q C 1.912 177.956 176.000 0.074 0.000 0.975 82 Q CA 1.862 57.698 55.803 0.055 0.000 0.866 82 Q CB -0.516 28.285 28.738 0.104 0.000 0.915 82 Q HN 0.925 nan 8.270 nan 0.000 0.440 83 W N 0.132 121.498 121.300 0.110 0.000 2.364 83 W HA -0.108 4.555 4.660 0.005 0.000 0.281 83 W C 1.342 177.955 176.519 0.156 0.000 1.219 83 W CA 0.678 58.092 57.345 0.115 0.000 1.220 83 W CB -1.083 28.435 29.460 0.097 0.000 1.127 83 W HN -0.118 nan 8.180 nan 0.000 0.556 84 V N 2.719 122.258 119.914 -0.624 0.000 2.392 84 V HA -0.338 3.785 4.120 0.005 0.000 0.249 84 V C 2.684 178.802 176.094 0.041 0.000 1.059 84 V CA 2.666 64.634 62.300 -0.554 0.000 1.051 84 V CB -1.136 30.040 31.823 -1.078 0.000 0.658 84 V HN 0.343 nan 8.190 nan 0.000 0.455 85 E N 0.476 120.696 120.200 0.033 0.000 2.409 85 E HA -0.211 4.142 4.350 0.005 0.000 0.198 85 E C 1.480 178.176 176.600 0.161 0.000 1.024 85 E CA 1.589 58.052 56.400 0.104 0.000 0.861 85 E CB -0.516 29.212 29.700 0.047 0.000 0.788 85 E HN 0.761 nan 8.360 nan 0.000 0.521 86 N N 0.162 118.974 118.700 0.187 0.000 2.353 86 N HA 0.015 4.758 4.740 0.005 0.000 0.185 86 N C -0.253 175.339 175.510 0.138 0.000 1.098 86 N CA -0.074 53.078 53.050 0.171 0.000 0.872 86 N CB 0.413 39.013 38.487 0.188 0.000 0.970 86 N HN 0.096 nan 8.380 nan 0.000 0.467 87 E N 0.796 121.083 120.200 0.145 0.000 2.227 87 E HA 0.215 4.568 4.350 0.005 0.000 0.268 87 E C -0.855 175.609 176.600 -0.227 0.000 0.990 87 E CA -0.354 55.987 56.400 -0.099 0.000 0.856 87 E CB 1.130 30.662 29.700 -0.279 0.000 1.159 87 E HN 0.041 nan 8.360 nan 0.000 0.401 88 D N 0.443 120.611 120.400 -0.388 0.000 2.253 88 D HA 0.399 5.042 4.640 0.005 0.000 0.249 88 D C -0.576 175.259 176.300 -0.776 0.000 1.049 88 D CA -0.063 53.719 54.000 -0.364 0.000 0.929 88 D CB 0.669 41.325 40.800 -0.241 0.000 1.176 88 D HN 0.209 nan 8.370 nan 0.000 0.437 89 W N 0.279 121.492 121.300 -0.145 0.000 2.998 89 W HA 0.346 5.010 4.660 0.005 0.000 0.335 89 W C -0.035 176.505 176.519 0.034 0.000 1.110 89 W CA -0.730 56.599 57.345 -0.026 0.000 1.230 89 W CB 1.468 31.009 29.460 0.134 0.000 1.405 89 W HN 0.050 nan 8.180 nan 0.000 0.493 90 E N 1.699 122.017 120.200 0.196 0.000 2.212 90 E HA 0.497 4.850 4.350 0.005 0.000 0.268 90 E C -1.568 175.292 176.600 0.433 0.000 0.902 90 E CA -1.144 55.463 56.400 0.345 0.000 0.779 90 E CB 2.394 32.247 29.700 0.254 0.000 1.172 90 E HN 0.363 nan 8.360 nan 0.000 0.409 91 Y N 0.914 121.635 120.300 0.703 0.000 2.499 91 Y HA 0.469 5.022 4.550 0.005 0.000 0.347 91 Y C 0.022 176.293 175.900 0.620 0.000 0.987 91 Y CA -0.905 57.657 58.100 0.771 0.000 1.044 91 Y CB 2.000 40.908 38.460 0.746 0.000 1.245 91 Y HN 0.465 nan 8.280 nan 0.000 0.461 92 R N 0.339 121.169 120.500 0.550 0.000 2.739 92 R HA 0.882 5.225 4.340 0.005 0.000 0.271 92 R C -1.777 174.393 176.300 -0.217 0.000 1.010 92 R CA -0.836 55.178 56.100 -0.145 0.000 0.897 92 R CB 2.383 31.996 30.300 -1.144 0.000 1.236 92 R HN 0.624 nan 8.270 nan 0.000 0.466 93 T N -0.104 114.152 114.554 -0.496 0.000 2.802 93 T HA 0.520 4.873 4.350 0.005 0.000 0.311 93 T C -1.439 173.121 174.700 -0.234 0.000 1.405 93 T CA -0.473 61.302 62.100 -0.542 0.000 1.016 93 T CB 2.021 70.111 68.868 -1.296 0.000 1.352 93 T HN 0.607 nan 8.240 nan 0.000 0.498 94 S N 1.090 116.723 115.700 -0.112 0.000 2.570 94 S HA 0.954 5.427 4.470 0.005 0.000 0.286 94 S C -1.540 173.080 174.600 0.033 0.000 1.099 94 S CA -0.672 57.500 58.200 -0.045 0.000 0.913 94 S CB 1.058 64.276 63.200 0.030 0.000 1.085 94 S HN 0.689 nan 8.310 nan 0.000 0.480 95 F N -0.287 119.600 119.950 -0.105 0.000 2.668 95 F HA 0.717 5.247 4.527 0.005 0.000 0.309 95 F C -1.569 174.197 175.800 -0.056 0.000 1.117 95 F CA -1.327 56.634 58.000 -0.065 0.000 0.951 95 F CB 0.655 39.632 39.000 -0.039 0.000 1.323 95 F HN 0.228 nan 8.300 nan 0.000 0.451 96 I N 2.966 123.621 120.570 0.143 0.000 2.437 96 I HA 0.558 4.731 4.170 0.005 0.000 0.298 96 I C -0.447 175.756 176.117 0.143 0.000 0.984 96 I CA -1.060 60.263 61.300 0.039 0.000 1.214 96 I CB 1.519 39.534 38.000 0.024 0.000 1.365 96 I HN 0.529 nan 8.210 nan 0.000 0.469 97 V N 4.877 124.832 119.914 0.067 0.000 2.487 97 V HA 0.359 4.482 4.120 0.005 0.000 0.298 97 V C 0.353 176.445 176.094 -0.004 0.000 1.028 97 V CA -0.654 61.700 62.300 0.090 0.000 0.860 97 V CB 1.974 33.917 31.823 0.200 0.000 0.991 97 V HN 0.938 nan 8.190 nan 0.000 0.427 98 S N 2.422 118.086 115.700 -0.061 0.000 2.632 98 S HA 0.268 4.741 4.470 0.005 0.000 0.267 98 S C 1.036 175.607 174.600 -0.049 0.000 1.276 98 S CA -0.013 58.149 58.200 -0.063 0.000 0.998 98 S CB 1.277 64.423 63.200 -0.090 0.000 0.953 98 S HN 0.817 nan 8.310 nan 0.000 0.547 99 E N 0.611 120.789 120.200 -0.037 0.000 2.097 99 E HA -0.227 4.126 4.350 0.005 0.000 0.196 99 E C 1.562 178.142 176.600 -0.033 0.000 1.000 99 E CA 1.777 58.161 56.400 -0.026 0.000 0.804 99 E CB -0.157 29.529 29.700 -0.023 0.000 0.740 99 E HN 0.804 nan 8.360 nan 0.000 0.454 100 E N 0.331 120.499 120.200 -0.053 0.000 2.072 100 E HA -0.184 4.169 4.350 0.005 0.000 0.191 100 E C 2.094 178.649 176.600 -0.075 0.000 0.985 100 E CA 1.178 57.543 56.400 -0.058 0.000 0.801 100 E CB -0.074 29.586 29.700 -0.066 0.000 0.750 100 E HN 0.310 nan 8.360 nan 0.000 0.452 101 Q N -0.192 119.521 119.800 -0.145 0.000 2.084 101 Q HA -0.125 4.218 4.340 0.005 0.000 0.202 101 Q C 2.076 178.091 176.000 0.025 0.000 0.978 101 Q CA 0.915 56.577 55.803 -0.235 0.000 0.844 101 Q CB -0.154 28.207 28.738 -0.628 0.000 0.898 101 Q HN 0.185 nan 8.270 nan 0.000 0.426 102 L N 1.194 122.439 121.223 0.037 0.000 2.265 102 L HA -0.142 4.201 4.340 0.005 0.000 0.215 102 L C 1.568 178.471 176.870 0.054 0.000 1.117 102 L CA 1.537 56.430 54.840 0.089 0.000 0.782 102 L CB -0.394 41.699 42.059 0.057 0.000 0.914 102 L HN 0.235 nan 8.230 nan 0.000 0.441 103 N N -0.875 117.838 118.700 0.022 0.000 2.398 103 N HA -0.044 4.699 4.740 0.005 0.000 0.188 103 N C 0.087 175.596 175.510 -0.001 0.000 1.122 103 N CA -0.275 52.778 53.050 0.005 0.000 0.866 103 N CB 0.243 38.727 38.487 -0.006 0.000 0.970 103 N HN 0.176 nan 8.380 nan 0.000 0.462 104 R N 1.395 121.905 120.500 0.017 0.000 2.738 104 R HA -0.006 4.337 4.340 0.005 0.000 0.268 104 R C 0.716 176.965 176.300 -0.086 0.000 1.062 104 R CA -0.114 55.978 56.100 -0.013 0.000 1.158 104 R CB 0.265 30.593 30.300 0.047 0.000 1.046 104 R HN 0.156 nan 8.270 nan 0.000 0.493 105 D N 0.268 120.578 120.400 -0.150 0.000 2.117 105 D HA -0.046 4.597 4.640 0.005 0.000 0.197 105 D C 0.858 176.973 176.300 -0.308 0.000 0.987 105 D CA 1.498 55.387 54.000 -0.185 0.000 0.829 105 D CB 0.114 40.820 40.800 -0.158 0.000 0.961 105 D HN 0.633 nan 8.370 nan 0.000 0.460 106 G N -0.613 107.800 108.800 -0.646 0.000 2.620 106 G HA2 0.642 4.605 3.960 0.005 0.000 0.301 106 G HA3 0.642 4.605 3.960 0.005 0.000 0.301 106 G C -1.154 173.348 174.900 -0.663 0.000 1.347 106 G CA -0.552 44.039 45.100 -0.848 0.000 0.971 106 G HN 0.024 nan 8.290 nan 0.000 0.488 107 I N 0.731 121.154 120.570 -0.244 0.000 2.548 107 I HA 0.312 4.485 4.170 0.005 0.000 0.287 107 I C -0.714 175.366 176.117 -0.060 0.000 1.103 107 I CA -0.554 60.634 61.300 -0.186 0.000 1.049 107 I CB 2.451 40.315 38.000 -0.226 0.000 1.232 107 I HN 0.316 nan 8.210 nan 0.000 0.429 108 Q N 4.735 124.515 119.800 -0.033 0.000 2.337 108 Q HA 0.614 4.957 4.340 0.005 0.000 0.266 108 Q C -1.374 174.549 176.000 -0.128 0.000 1.023 108 Q CA -0.995 54.800 55.803 -0.013 0.000 0.829 108 Q CB 3.475 32.236 28.738 0.037 0.000 1.306 108 Q HN 0.428 nan 8.270 nan 0.000 0.449 109 L N 3.811 124.978 121.223 -0.093 0.000 2.280 109 L HA 0.534 4.877 4.340 0.005 0.000 0.287 109 L C -1.543 175.230 176.870 -0.162 0.000 1.023 109 L CA -0.119 54.617 54.840 -0.172 0.000 0.819 109 L CB 0.998 42.995 42.059 -0.103 0.000 1.212 109 L HN 0.552 nan 8.230 nan 0.000 0.420 110 I N 5.694 126.108 120.570 -0.259 0.000 2.389 110 I HA 0.345 4.518 4.170 0.005 0.000 0.288 110 I C -1.014 174.925 176.117 -0.296 0.000 0.999 110 I CA -0.128 61.081 61.300 -0.151 0.000 1.129 110 I CB 1.181 39.127 38.000 -0.090 0.000 1.288 110 I HN 0.409 nan 8.210 nan 0.000 0.444 111 F N 4.937 124.930 119.950 0.073 0.000 2.361 111 F HA 0.325 4.855 4.527 0.005 0.000 0.364 111 F C 1.385 177.200 175.800 0.025 0.000 1.117 111 F CA -0.403 57.641 58.000 0.072 0.000 1.071 111 F CB 1.095 40.176 39.000 0.135 0.000 1.188 111 F HN 0.512 nan 8.300 nan 0.000 0.464 112 E N 2.088 122.332 120.200 0.073 0.000 2.347 112 E HA 0.146 4.499 4.350 0.005 0.000 0.196 112 E C 0.741 177.258 176.600 -0.137 0.000 1.008 112 E CA 0.228 56.609 56.400 -0.032 0.000 0.852 112 E CB 0.316 29.965 29.700 -0.085 0.000 0.783 112 E HN 0.741 nan 8.360 nan 0.000 0.505 113 G N 0.604 109.351 108.800 -0.088 0.000 2.682 113 G HA2 0.444 4.407 3.960 0.005 0.000 0.300 113 G HA3 0.444 4.407 3.960 0.005 0.000 0.300 113 G C -1.521 173.505 174.900 0.211 0.000 1.396 113 G CA -0.771 44.240 45.100 -0.148 0.000 1.104 113 G HN -0.042 nan 8.290 nan 0.000 0.587 114 L N 2.194 123.685 121.223 0.447 0.000 2.376 114 L HA 0.487 4.830 4.340 0.005 0.000 0.275 114 L C -1.242 175.875 176.870 0.412 0.000 0.987 114 L CA -0.910 54.189 54.840 0.432 0.000 0.828 114 L CB 2.495 44.651 42.059 0.162 0.000 1.249 114 L HN 0.525 nan 8.230 nan 0.000 0.409 115 D N 1.673 122.291 120.400 0.364 0.000 2.460 115 D HA 0.397 5.040 4.640 0.005 0.000 0.232 115 D C 0.009 176.410 176.300 0.169 0.000 1.079 115 D CA -0.113 53.899 54.000 0.020 0.000 0.864 115 D CB 1.515 42.142 40.800 -0.288 0.000 1.048 115 D HN 0.500 nan 8.370 nan 0.000 0.523 116 T N 2.144 116.819 114.554 0.201 0.000 3.507 116 T HA 0.066 4.419 4.350 0.005 0.000 0.280 116 T C -0.212 174.410 174.700 -0.131 0.000 0.976 116 T CA 0.079 62.128 62.100 -0.085 0.000 1.096 116 T CB -0.113 68.540 68.868 -0.359 0.000 1.168 116 T HN 0.218 nan 8.240 nan 0.000 0.463 117 Y N 2.762 123.187 120.300 0.208 0.000 2.627 117 Y HA 0.681 5.234 4.550 0.005 0.000 0.347 117 Y C 0.218 176.233 175.900 0.191 0.000 1.099 117 Y CA -1.119 57.087 58.100 0.177 0.000 1.408 117 Y CB 0.116 38.700 38.460 0.206 0.000 1.247 117 Y HN 0.223 nan 8.280 nan 0.000 0.506 118 A N 2.649 125.504 122.820 0.058 0.000 2.335 118 A HA 0.544 4.867 4.320 0.005 0.000 0.304 118 A C -1.099 176.349 177.584 -0.226 0.000 1.118 118 A CA -0.926 50.928 52.037 -0.306 0.000 0.757 118 A CB 0.604 19.179 19.000 -0.709 0.000 1.188 118 A HN 0.466 nan 8.150 nan 0.000 0.460 119 D N 2.011 122.343 120.400 -0.113 0.000 2.313 119 D HA 0.407 5.050 4.640 0.005 0.000 0.239 119 D C -0.418 175.654 176.300 -0.380 0.000 1.142 119 D CA 0.198 54.070 54.000 -0.214 0.000 0.847 119 D CB 1.722 42.518 40.800 -0.006 0.000 1.082 119 D HN 0.164 nan 8.370 nan 0.000 0.480 120 V N 4.007 123.616 119.914 -0.509 0.000 2.347 120 V HA 0.266 4.389 4.120 0.005 0.000 0.280 120 V C -0.694 175.186 176.094 -0.356 0.000 1.021 120 V CA -0.654 61.444 62.300 -0.337 0.000 0.847 120 V CB 0.200 31.816 31.823 -0.346 0.000 0.990 120 V HN 0.349 nan 8.190 nan 0.000 0.444 121 Y N 5.031 125.429 120.300 0.164 0.000 2.364 121 Y HA 0.730 5.283 4.550 0.005 0.000 0.340 121 Y C -0.306 175.730 175.900 0.226 0.000 0.975 121 Y CA -0.989 57.211 58.100 0.167 0.000 1.089 121 Y CB 1.961 40.513 38.460 0.154 0.000 1.192 121 Y HN 0.517 nan 8.280 nan 0.000 0.454 122 L N 4.586 126.006 121.223 0.328 0.000 2.404 122 L HA 0.527 4.870 4.340 0.005 0.000 0.272 122 L C -0.525 176.465 176.870 0.199 0.000 0.980 122 L CA -0.598 54.408 54.840 0.275 0.000 0.836 122 L CB 0.987 43.200 42.059 0.256 0.000 1.238 122 L HN 0.734 nan 8.230 nan 0.000 0.408 123 N N 4.241 123.044 118.700 0.171 0.000 2.721 123 N HA -0.204 4.539 4.740 0.005 0.000 0.249 123 N C 0.954 176.520 175.510 0.093 0.000 1.072 123 N CA 1.443 54.556 53.050 0.105 0.000 0.710 123 N CB -1.261 37.255 38.487 0.048 0.000 0.993 123 N HN 1.296 nan 8.380 nan 0.000 0.547 124 G N -1.986 106.876 108.800 0.103 0.000 2.176 124 G HA2 -0.286 3.677 3.960 0.005 0.000 0.253 124 G HA3 -0.286 3.677 3.960 0.005 0.000 0.253 124 G C 0.004 174.978 174.900 0.122 0.000 0.979 124 G CA 0.593 45.734 45.100 0.068 0.000 0.641 124 G HN 0.913 nan 8.290 nan 0.000 0.530 125 S N -0.084 115.715 115.700 0.165 0.000 2.462 125 S HA 0.647 5.120 4.470 0.005 0.000 0.294 125 S C 0.072 174.805 174.600 0.221 0.000 1.144 125 S CA -0.605 57.692 58.200 0.162 0.000 1.088 125 S CB 1.090 64.357 63.200 0.112 0.000 1.009 125 S HN 1.177 nan 8.310 nan 0.000 0.484 126 L N 7.186 128.519 121.223 0.183 0.000 2.407 126 L HA 0.344 4.687 4.340 0.005 0.000 0.282 126 L C 0.528 177.365 176.870 -0.055 0.000 1.110 126 L CA 0.431 55.257 54.840 -0.023 0.000 0.863 126 L CB -0.158 41.895 42.059 -0.010 0.000 1.207 126 L HN 0.851 nan 8.230 nan 0.000 0.454 127 L N 4.903 126.078 121.223 -0.080 0.000 2.209 127 L HA 0.166 4.509 4.340 0.005 0.000 0.207 127 L C -0.030 176.787 176.870 -0.087 0.000 1.094 127 L CA 0.285 55.107 54.840 -0.030 0.000 0.790 127 L CB -0.089 41.993 42.059 0.039 0.000 0.932 127 L HN 0.569 nan 8.230 nan 0.000 0.447 128 L N -0.610 120.499 121.223 -0.191 0.000 2.643 128 L HA 0.328 4.671 4.340 0.005 0.000 0.257 128 L C -1.523 175.171 176.870 -0.293 0.000 0.922 128 L CA -0.475 54.218 54.840 -0.244 0.000 0.909 128 L CB 1.752 43.602 42.059 -0.349 0.000 1.424 128 L HN -0.121 nan 8.230 nan 0.000 0.422 129 K N 4.174 124.438 120.400 -0.226 0.000 2.414 129 K HA 0.769 5.092 4.320 0.005 0.000 0.251 129 K C -0.392 176.091 176.600 -0.194 0.000 1.037 129 K CA -0.430 55.752 56.287 -0.175 0.000 0.980 129 K CB 1.458 33.909 32.500 -0.081 0.000 1.280 129 K HN 0.730 nan 8.250 nan 0.000 0.451 130 A N 2.442 125.076 122.820 -0.309 0.000 2.407 130 A HA 0.168 4.491 4.320 0.005 0.000 0.248 130 A C 0.225 177.756 177.584 -0.088 0.000 1.082 130 A CA -0.071 51.753 52.037 -0.355 0.000 0.785 130 A CB 0.197 18.889 19.000 -0.513 0.000 1.020 130 A HN 0.837 nan 8.150 nan 0.000 0.489 131 D N -0.194 120.202 120.400 -0.007 0.000 2.783 131 D HA 0.086 4.729 4.640 0.005 0.000 0.306 131 D C -0.786 175.442 176.300 -0.120 0.000 1.633 131 D CA -0.291 53.654 54.000 -0.091 0.000 0.796 131 D CB -0.472 40.382 40.800 0.091 0.000 1.230 131 D HN 0.280 nan 8.370 nan 0.000 0.441 132 N N 1.045 119.724 118.700 -0.035 0.000 2.655 132 N HA 0.106 4.849 4.740 0.005 0.000 0.277 132 N C 0.333 175.793 175.510 -0.084 0.000 1.177 132 N CA -0.287 52.717 53.050 -0.076 0.000 0.882 132 N CB 1.531 40.021 38.487 0.004 0.000 1.481 132 N HN 0.068 nan 8.380 nan 0.000 0.547 133 M N 2.574 121.980 119.600 -0.323 0.000 2.267 133 M HA -0.046 4.437 4.480 0.005 0.000 0.263 133 M C -0.144 176.177 176.300 0.035 0.000 1.063 133 M CA 1.825 56.958 55.300 -0.278 0.000 1.090 133 M CB -0.019 32.100 32.600 -0.801 0.000 1.392 133 M HN 0.389 nan 8.290 nan 0.000 0.422 134 F N -0.548 119.543 119.950 0.235 0.000 2.693 134 F HA 0.274 4.804 4.527 0.005 0.000 0.303 134 F C 0.141 175.957 175.800 0.026 0.000 1.097 134 F CA -0.373 57.804 58.000 0.296 0.000 1.330 134 F CB -0.434 38.777 39.000 0.351 0.000 1.067 134 F HN -0.217 nan 8.300 nan 0.000 0.565 135 V N -0.085 119.765 119.914 -0.106 0.000 2.513 135 V HA 0.704 4.827 4.120 0.005 0.000 0.299 135 V C 0.557 176.019 176.094 -1.053 0.000 1.035 135 V CA -1.070 60.779 62.300 -0.751 0.000 0.889 135 V CB 1.344 32.722 31.823 -0.742 0.000 0.988 135 V HN 0.187 nan 8.190 nan 0.000 0.440 136 G N 2.933 110.671 108.800 -1.770 0.000 2.356 136 G HA2 0.552 4.515 3.960 0.005 0.000 0.298 136 G HA3 0.552 4.515 3.960 0.005 0.000 0.298 136 G C -1.447 173.043 174.900 -0.682 0.000 1.145 136 G CA -0.180 44.394 45.100 -0.877 0.000 0.850 136 G HN 0.534 nan 8.290 nan 0.000 0.487 137 Y N 0.475 120.726 120.300 -0.082 0.000 2.328 137 Y HA 0.421 4.974 4.550 0.005 0.000 0.336 137 Y C 0.616 176.559 175.900 0.072 0.000 0.960 137 Y CA -0.597 57.508 58.100 0.008 0.000 1.134 137 Y CB 2.429 40.928 38.460 0.066 0.000 1.166 137 Y HN 0.376 nan 8.280 nan 0.000 0.464 138 T N 5.804 120.463 114.554 0.175 0.000 2.756 138 T HA 0.583 4.936 4.350 0.005 0.000 0.290 138 T C -0.532 174.243 174.700 0.124 0.000 0.985 138 T CA -0.579 61.590 62.100 0.115 0.000 0.955 138 T CB 0.135 69.040 68.868 0.061 0.000 0.930 138 T HN 0.375 nan 8.240 nan 0.000 0.451 139 L N 6.256 127.548 121.223 0.114 0.000 2.349 139 L HA 0.451 4.794 4.340 0.005 0.000 0.278 139 L C -2.236 174.680 176.870 0.077 0.000 0.996 139 L CA -2.475 52.432 54.840 0.111 0.000 0.825 139 L CB 2.039 44.189 42.059 0.151 0.000 1.243 139 L HN 0.336 nan 8.230 nan 0.000 0.412 140 P HA 0.059 nan 4.420 nan 0.000 0.276 140 P C 0.232 177.565 177.300 0.054 0.000 1.235 140 P CA -0.103 63.037 63.100 0.065 0.000 0.772 140 P CB 1.656 33.396 31.700 0.067 0.000 0.871 141 V N 0.561 120.497 119.914 0.037 0.000 3.382 141 V HA 0.180 4.303 4.120 0.005 0.000 0.296 141 V C 1.963 178.081 176.094 0.040 0.000 1.529 141 V CA 0.134 62.463 62.300 0.048 0.000 1.048 141 V CB -0.438 31.425 31.823 0.067 0.000 0.878 141 V HN 0.350 nan 8.190 nan 0.000 0.442 142 K N 2.643 123.052 120.400 0.016 0.000 2.074 142 K HA -0.226 4.097 4.320 0.005 0.000 0.209 142 K C 2.211 178.831 176.600 0.034 0.000 1.048 142 K CA 2.464 58.762 56.287 0.019 0.000 0.926 142 K CB -0.234 32.258 32.500 -0.013 0.000 0.713 142 K HN 0.752 nan 8.250 nan 0.000 0.444 143 S N -0.539 115.179 115.700 0.030 0.000 2.474 143 S HA -0.044 4.429 4.470 0.005 0.000 0.235 143 S C 1.709 176.332 174.600 0.038 0.000 0.997 143 S CA 0.944 59.162 58.200 0.030 0.000 0.949 143 S CB 0.246 63.462 63.200 0.026 0.000 0.766 143 S HN 0.152 nan 8.310 nan 0.000 0.517 144 V N 0.888 120.832 119.914 0.050 0.000 3.307 144 V HA 0.330 4.453 4.120 0.005 0.000 0.253 144 V C 1.054 177.182 176.094 0.057 0.000 1.149 144 V CA 0.226 62.561 62.300 0.058 0.000 1.112 144 V CB -0.420 31.449 31.823 0.077 0.000 0.777 144 V HN 0.420 nan 8.190 nan 0.000 0.464 145 L N 0.543 121.806 121.223 0.067 0.000 2.453 145 L HA 0.360 4.703 4.340 0.005 0.000 0.261 145 L C 0.379 177.267 176.870 0.030 0.000 1.179 145 L CA 0.245 55.125 54.840 0.067 0.000 0.813 145 L CB 0.395 42.535 42.059 0.135 0.000 1.110 145 L HN 0.185 nan 8.230 nan 0.000 0.466 146 R N 0.640 121.134 120.500 -0.009 0.000 2.795 146 R HA 0.349 4.692 4.340 0.005 0.000 0.275 146 R C -1.016 175.266 176.300 -0.031 0.000 0.981 146 R CA -1.097 54.987 56.100 -0.027 0.000 0.917 146 R CB 2.170 32.434 30.300 -0.061 0.000 1.202 146 R HN 0.396 nan 8.270 nan 0.000 0.469 147 K N 1.074 121.461 120.400 -0.021 0.000 2.401 147 K HA 0.278 4.601 4.320 0.005 0.000 0.278 147 K C 0.433 177.002 176.600 -0.051 0.000 1.018 147 K CA 1.176 57.448 56.287 -0.025 0.000 0.981 147 K CB 0.477 32.967 32.500 -0.017 0.000 0.933 147 K HN 0.729 nan 8.250 nan 0.000 0.477 148 G N 2.805 111.571 108.800 -0.057 0.000 2.503 148 G HA2 -0.214 3.749 3.960 0.005 0.000 0.235 148 G HA3 -0.214 3.749 3.960 0.005 0.000 0.235 148 G C -1.038 173.775 174.900 -0.144 0.000 1.179 148 G CA -0.484 44.570 45.100 -0.076 0.000 0.944 148 G HN 0.637 nan 8.290 nan 0.000 0.580 149 E N 2.038 122.126 120.200 -0.186 0.000 2.338 149 E HA 0.322 4.675 4.350 0.005 0.000 0.272 149 E C -0.001 176.246 176.600 -0.588 0.000 1.029 149 E CA -0.058 56.139 56.400 -0.338 0.000 0.872 149 E CB 0.640 30.193 29.700 -0.245 0.000 1.015 149 E HN 0.444 nan 8.360 nan 0.000 0.417 150 N N 1.961 120.145 118.700 -0.859 0.000 2.238 150 N HA 0.301 5.044 4.740 0.005 0.000 0.302 150 N C -0.920 173.984 175.510 -1.009 0.000 1.072 150 N CA -0.545 51.913 53.050 -0.987 0.000 0.792 150 N CB 1.645 39.371 38.487 -1.268 0.000 1.425 150 N HN 0.343 nan 8.380 nan 0.000 0.478 151 H N 1.416 120.343 119.070 -0.237 0.000 2.547 151 H HA 0.348 4.907 4.556 0.005 0.000 0.342 151 H C -0.831 174.581 175.328 0.140 0.000 1.048 151 H CA -0.555 55.470 56.048 -0.038 0.000 1.204 151 H CB 2.334 32.147 29.762 0.084 0.000 1.493 151 H HN 0.327 nan 8.280 nan 0.000 0.511 152 L N 4.157 125.550 121.223 0.285 0.000 2.325 152 L HA 0.393 4.736 4.340 0.005 0.000 0.281 152 L C -1.687 175.396 176.870 0.355 0.000 1.004 152 L CA -0.532 54.526 54.840 0.363 0.000 0.823 152 L CB 0.681 42.946 42.059 0.343 0.000 1.236 152 L HN 0.430 nan 8.230 nan 0.000 0.415 153 Y N 4.997 125.508 120.300 0.353 0.000 2.425 153 Y HA 0.679 5.232 4.550 0.005 0.000 0.344 153 Y C -0.488 175.702 175.900 0.484 0.000 0.969 153 Y CA -0.551 57.794 58.100 0.409 0.000 1.052 153 Y CB 2.112 40.774 38.460 0.337 0.000 1.215 153 Y HN 0.421 nan 8.280 nan 0.000 0.451 154 I N 3.893 124.843 120.570 0.634 0.000 2.499 154 I HA 0.237 4.410 4.170 0.005 0.000 0.288 154 I C -1.537 174.820 176.117 0.399 0.000 1.048 154 I CA -1.006 60.522 61.300 0.380 0.000 1.062 154 I CB 2.037 40.164 38.000 0.211 0.000 1.238 154 I HN 0.532 nan 8.210 nan 0.000 0.426 155 Y N 6.375 126.741 120.300 0.110 0.000 2.342 155 Y HA 0.498 5.051 4.550 0.005 0.000 0.338 155 Y C -1.152 174.663 175.900 -0.141 0.000 0.965 155 Y CA -0.556 57.610 58.100 0.110 0.000 1.159 155 Y CB 0.927 39.455 38.460 0.114 0.000 1.157 155 Y HN 0.348 nan 8.280 nan 0.000 0.486 156 F N 5.621 125.556 119.950 -0.026 0.000 2.313 156 F HA 0.258 4.788 4.527 0.005 0.000 0.369 156 F C 0.345 176.171 175.800 0.044 0.000 1.109 156 F CA -0.619 57.449 58.000 0.113 0.000 1.132 156 F CB 0.201 39.318 39.000 0.194 0.000 1.291 156 F HN 0.455 nan 8.300 nan 0.000 0.496 157 H N 1.342 120.673 119.070 0.435 0.000 2.964 157 H HA -0.038 4.521 4.556 0.005 0.000 0.328 157 H C 0.643 176.171 175.328 0.333 0.000 1.030 157 H CA -0.089 56.186 56.048 0.379 0.000 1.445 157 H CB 1.142 31.089 29.762 0.308 0.000 1.449 157 H HN 0.502 nan 8.280 nan 0.000 0.581 158 S N 4.985 120.891 115.700 0.343 0.000 2.626 158 S HA -0.038 4.435 4.470 0.005 0.000 0.303 158 S C -1.145 173.620 174.600 0.276 0.000 1.256 158 S CA -1.170 57.199 58.200 0.281 0.000 1.069 158 S CB 0.510 63.827 63.200 0.195 0.000 0.807 158 S HN 0.532 nan 8.310 nan 0.000 0.500 159 P HA -0.054 nan 4.420 nan 0.000 0.226 159 P C 1.353 178.793 177.300 0.234 0.000 1.153 159 P CA 0.502 63.825 63.100 0.372 0.000 0.777 159 P CB 0.002 31.926 31.700 0.373 0.000 0.794 160 I N 0.471 121.138 120.570 0.162 0.000 2.206 160 I HA -0.075 4.098 4.170 0.005 0.000 0.239 160 I C 2.641 178.793 176.117 0.059 0.000 1.078 160 I CA 1.214 62.572 61.300 0.097 0.000 1.367 160 I CB -1.477 36.565 38.000 0.069 0.000 1.078 160 I HN -0.030 nan 8.210 nan 0.000 0.413 161 R N 0.379 120.924 120.500 0.075 0.000 2.115 161 R HA -0.198 4.145 4.340 0.005 0.000 0.230 161 R C 2.182 178.483 176.300 0.001 0.000 1.111 161 R CA 0.951 57.082 56.100 0.052 0.000 0.976 161 R CB -0.280 30.068 30.300 0.081 0.000 0.870 161 R HN 0.333 nan 8.270 nan 0.000 0.445 162 Q N 0.555 120.335 119.800 -0.033 0.000 2.135 162 Q HA -0.131 4.212 4.340 0.005 0.000 0.204 162 Q C 1.613 177.480 176.000 -0.221 0.000 0.981 162 Q CA 2.310 57.987 55.803 -0.210 0.000 0.856 162 Q CB -0.043 28.395 28.738 -0.501 0.000 0.902 162 Q HN 0.406 nan 8.270 nan 0.000 0.425 163 T N -3.245 111.235 114.554 -0.123 0.000 3.069 163 T HA 0.216 4.569 4.350 0.005 0.000 0.252 163 T C 1.617 176.262 174.700 -0.091 0.000 1.053 163 T CA -0.079 61.955 62.100 -0.111 0.000 0.964 163 T CB -0.075 68.815 68.868 0.038 0.000 1.005 163 T HN 0.192 nan 8.240 nan 0.000 0.532 164 L N 1.401 122.601 121.223 -0.039 0.000 2.042 164 L HA 0.017 4.360 4.340 0.005 0.000 0.210 164 L C -0.255 176.618 176.870 0.005 0.000 1.076 164 L CA 1.415 56.263 54.840 0.014 0.000 0.749 164 L CB -1.367 40.709 42.059 0.028 0.000 0.893 164 L HN 0.250 nan 8.230 nan 0.000 0.432 165 P HA -0.192 nan 4.420 nan 0.000 0.219 165 P C 1.442 178.655 177.300 -0.145 0.000 1.150 165 P CA 1.235 64.290 63.100 -0.075 0.000 0.814 165 P CB 0.044 31.698 31.700 -0.078 0.000 0.787 166 Q N -1.085 118.578 119.800 -0.229 0.000 2.046 166 Q HA -0.213 4.130 4.340 0.005 0.000 0.200 166 Q C 2.284 177.957 176.000 -0.546 0.000 0.975 166 Q CA 1.254 56.809 55.803 -0.414 0.000 0.836 166 Q CB -0.651 27.752 28.738 -0.557 0.000 0.896 166 Q HN 0.107 nan 8.270 nan 0.000 0.428 167 Y N 0.417 120.359 120.300 -0.595 0.000 2.128 167 Y HA -0.230 4.323 4.550 0.005 0.000 0.284 167 Y C 2.041 177.840 175.900 -0.168 0.000 1.154 167 Y CA 1.705 59.607 58.100 -0.331 0.000 1.149 167 Y CB -0.661 37.745 38.460 -0.091 0.000 0.976 167 Y HN 0.222 nan 8.280 nan 0.000 0.505 168 A N -0.214 122.504 122.820 -0.169 0.000 1.948 168 A HA -0.249 4.074 4.320 0.005 0.000 0.220 168 A C 2.427 179.872 177.584 -0.232 0.000 1.177 168 A CA 2.441 54.356 52.037 -0.203 0.000 0.636 168 A CB -1.393 17.572 19.000 -0.059 0.000 0.815 168 A HN 0.630 nan 8.150 nan 0.000 0.449 169 S N -0.438 115.136 115.700 -0.211 0.000 2.481 169 S HA -0.105 4.368 4.470 0.005 0.000 0.231 169 S C 1.571 176.062 174.600 -0.183 0.000 0.996 169 S CA 1.174 59.275 58.200 -0.165 0.000 0.942 169 S CB -0.517 62.599 63.200 -0.139 0.000 0.768 169 S HN 0.576 nan 8.310 nan 0.000 0.520 170 N N 1.561 120.092 118.700 -0.281 0.000 2.300 170 N HA 0.118 4.861 4.740 0.005 0.000 0.179 170 N C 1.452 176.792 175.510 -0.284 0.000 1.016 170 N CA 1.327 54.199 53.050 -0.297 0.000 0.876 170 N CB -0.486 37.792 38.487 -0.348 0.000 0.979 170 N HN 0.606 nan 8.380 nan 0.000 0.432 171 G N -1.323 107.322 108.800 -0.259 0.000 2.179 171 G HA2 -0.239 3.724 3.960 0.005 0.000 0.260 171 G HA3 -0.239 3.724 3.960 0.005 0.000 0.260 171 G C 0.081 175.022 174.900 0.067 0.000 0.977 171 G CA 0.908 45.962 45.100 -0.076 0.000 0.641 171 G HN 0.581 nan 8.290 nan 0.000 0.533 172 F N -1.880 118.012 119.950 -0.097 0.000 2.741 172 F HA 0.761 5.291 4.527 0.005 0.000 0.313 172 F C -1.079 174.748 175.800 0.046 0.000 1.153 172 F CA -1.799 56.196 58.000 -0.009 0.000 0.931 172 F CB 0.821 39.857 39.000 0.060 0.000 1.335 172 F HN 0.027 nan 8.300 nan 0.000 0.460 173 N N 0.846 119.793 118.700 0.412 0.000 2.424 173 N HA 0.333 5.076 4.740 0.005 0.000 0.271 173 N C -1.591 174.246 175.510 0.545 0.000 0.985 173 N CA -0.548 52.782 53.050 0.467 0.000 0.921 173 N CB 0.634 39.365 38.487 0.407 0.000 1.149 173 N HN 0.644 nan 8.380 nan 0.000 0.492 174 Y N 3.009 123.510 120.300 0.335 0.000 2.497 174 Y HA 0.149 4.702 4.550 0.005 0.000 0.334 174 Y C -1.230 174.833 175.900 0.271 0.000 1.199 174 Y CA -1.062 57.164 58.100 0.209 0.000 1.425 174 Y CB 0.735 39.130 38.460 -0.108 0.000 1.291 174 Y HN 0.478 nan 8.280 nan 0.000 0.562 175 P HA 0.146 nan 4.420 nan 0.000 0.220 175 P C -0.991 176.402 177.300 0.154 0.000 1.806 175 P CA 0.040 63.301 63.100 0.268 0.000 0.976 175 P CB -0.280 31.471 31.700 0.084 0.000 1.952 176 A N 1.802 124.563 122.820 -0.098 0.000 2.910 176 A HA 0.235 4.558 4.320 0.005 0.000 0.316 176 A C 1.062 178.289 177.584 -0.595 0.000 1.493 176 A CA -0.409 51.431 52.037 -0.328 0.000 1.150 176 A CB -0.189 18.576 19.000 -0.391 0.000 1.159 176 A HN 0.069 nan 8.150 nan 0.000 0.526 177 D N 0.945 121.214 120.400 -0.217 0.000 2.182 177 D HA -0.149 4.494 4.640 0.005 0.000 0.201 177 D C 1.155 177.328 176.300 -0.212 0.000 0.986 177 D CA 1.192 55.096 54.000 -0.160 0.000 0.847 177 D CB 0.111 40.877 40.800 -0.057 0.000 0.942 177 D HN 0.553 nan 8.370 nan 0.000 0.467 178 N N 0.909 119.345 118.700 -0.440 0.000 2.550 178 N HA -0.095 4.648 4.740 0.005 0.000 0.186 178 N C 0.099 175.264 175.510 -0.576 0.000 1.110 178 N CA 0.399 53.022 53.050 -0.710 0.000 0.912 178 N CB 0.190 37.600 38.487 -1.795 0.000 0.968 178 N HN 0.166 nan 8.380 nan 0.000 0.448 179 D N 0.653 120.835 120.400 -0.364 0.000 2.411 179 D HA 0.030 4.673 4.640 0.005 0.000 0.225 179 D C -0.472 175.910 176.300 0.137 0.000 1.156 179 D CA -0.283 53.629 54.000 -0.148 0.000 0.874 179 D CB -0.112 40.575 40.800 -0.189 0.000 1.034 179 D HN 0.234 nan 8.370 nan 0.000 0.502 180 H N 4.337 123.460 119.070 0.089 0.000 2.998 180 H HA 0.147 4.706 4.556 0.005 0.000 0.241 180 H C -0.016 175.423 175.328 0.185 0.000 1.852 180 H CA -0.204 55.899 56.048 0.093 0.000 1.419 180 H CB 0.065 29.836 29.762 0.014 0.000 1.793 180 H HN 0.329 nan 8.280 nan 0.000 0.553 181 H N 0.666 119.876 119.070 0.234 0.000 3.037 181 H HA -0.026 4.533 4.556 0.005 0.000 0.336 181 H C 0.617 175.981 175.328 0.059 0.000 1.323 181 H CA -0.494 55.632 56.048 0.131 0.000 1.159 181 H CB 1.555 31.393 29.762 0.126 0.000 1.882 181 H HN 0.530 nan 8.280 nan 0.000 0.535 182 E N 2.227 122.418 120.200 -0.014 0.000 2.097 182 E HA -0.106 4.247 4.350 0.005 0.000 0.196 182 E C -0.438 176.082 176.600 -0.135 0.000 1.000 182 E CA 1.104 57.483 56.400 -0.035 0.000 0.804 182 E CB 0.234 29.897 29.700 -0.063 0.000 0.740 182 E HN 0.333 nan 8.360 nan 0.000 0.454 183 K N 0.471 120.919 120.400 0.080 0.000 2.240 183 K HA 0.226 4.549 4.320 0.005 0.000 0.271 183 K C -1.232 175.184 176.600 -0.308 0.000 1.018 183 K CA -0.333 55.703 56.287 -0.419 0.000 0.874 183 K CB 1.134 33.249 32.500 -0.641 0.000 1.098 183 K HN 0.221 nan 8.250 nan 0.000 0.458 184 H N 3.692 122.680 119.070 -0.136 0.000 2.820 184 H HA 0.097 4.656 4.556 0.005 0.000 0.248 184 H C 0.854 176.108 175.328 -0.124 0.000 1.714 184 H CA -0.357 55.642 56.048 -0.083 0.000 1.334 184 H CB 0.103 29.865 29.762 -0.000 0.000 1.693 184 H HN 0.384 nan 8.280 nan 0.000 0.548 185 L N 0.843 122.042 121.223 -0.041 0.000 2.395 185 L HA -0.104 4.239 4.340 0.005 0.000 0.218 185 L C 2.337 179.149 176.870 -0.097 0.000 1.130 185 L CA 0.494 55.382 54.840 0.081 0.000 0.826 185 L CB -0.186 41.911 42.059 0.063 0.000 0.941 185 L HN 0.564 nan 8.230 nan 0.000 0.451 186 S N 0.316 115.673 115.700 -0.573 0.000 2.383 186 S HA -0.175 4.298 4.470 0.005 0.000 0.229 186 S C 1.960 176.331 174.600 -0.380 0.000 1.030 186 S CA 1.272 58.857 58.200 -1.024 0.000 1.002 186 S CB -1.103 61.337 63.200 -1.267 0.000 0.829 186 S HN 0.371 nan 8.310 nan 0.000 0.467 187 V N -1.737 117.886 119.914 -0.485 0.000 2.759 187 V HA 0.054 4.177 4.120 0.005 0.000 0.256 187 V C 1.910 177.742 176.094 -0.436 0.000 1.080 187 V CA 1.137 63.091 62.300 -0.577 0.000 1.101 187 V CB -1.490 29.614 31.823 -1.198 0.000 0.698 187 V HN 0.374 nan 8.190 nan 0.000 0.477 188 F N 1.231 121.134 119.950 -0.080 0.000 2.661 188 F HA 0.299 4.829 4.527 0.005 0.000 0.298 188 F C 1.349 177.344 175.800 0.324 0.000 1.137 188 F CA 0.373 58.399 58.000 0.043 0.000 1.454 188 F CB -0.314 38.710 39.000 0.041 0.000 1.103 188 F HN 0.104 nan 8.300 nan 0.000 0.577 189 S N 0.464 116.437 115.700 0.455 0.000 2.473 189 S HA 0.454 4.927 4.470 0.005 0.000 0.307 189 S C -0.051 174.746 174.600 0.330 0.000 1.094 189 S CA -0.863 57.600 58.200 0.439 0.000 1.070 189 S CB 1.379 64.849 63.200 0.451 0.000 1.019 189 S HN -0.081 nan 8.310 nan 0.000 0.480 190 R N 3.153 123.771 120.500 0.197 0.000 2.608 190 R HA 0.323 4.666 4.340 0.005 0.000 0.277 190 R C -0.137 176.031 176.300 -0.220 0.000 1.341 190 R CA -0.053 56.121 56.100 0.122 0.000 1.199 190 R CB -0.723 29.638 30.300 0.101 0.000 1.156 190 R HN 0.579 nan 8.270 nan 0.000 0.558 191 K N -0.105 120.221 120.400 -0.124 0.000 2.542 191 K HA 0.446 4.769 4.320 0.005 0.000 0.259 191 K C -1.070 175.550 176.600 0.033 0.000 0.932 191 K CA -0.665 55.449 56.287 -0.289 0.000 0.820 191 K CB 1.957 34.439 32.500 -0.030 0.000 1.345 191 K HN 0.379 nan 8.250 nan 0.000 0.432 192 A N 4.983 127.788 122.820 -0.025 0.000 2.563 192 A HA 0.102 4.425 4.320 0.005 0.000 0.256 192 A C -1.932 175.833 177.584 0.302 0.000 1.056 192 A CA -0.603 51.610 52.037 0.293 0.000 0.775 192 A CB -0.359 18.774 19.000 0.222 0.000 0.973 192 A HN 0.636 nan 8.150 nan 0.000 0.516 193 P HA -0.211 nan 4.420 nan 0.000 0.216 193 P C 1.214 178.777 177.300 0.440 0.000 1.150 193 P CA 1.942 65.258 63.100 0.360 0.000 0.837 193 P CB -0.145 31.699 31.700 0.239 0.000 0.786 194 Y N -0.662 119.716 120.300 0.130 0.000 2.497 194 Y HA -0.082 4.471 4.550 0.005 0.000 0.292 194 Y C 2.041 177.987 175.900 0.076 0.000 1.137 194 Y CA 0.860 59.039 58.100 0.133 0.000 1.285 194 Y CB -1.469 37.039 38.460 0.081 0.000 0.991 194 Y HN -0.044 nan 8.280 nan 0.000 0.556 195 S N -0.402 114.895 115.700 -0.673 0.000 2.442 195 S HA -0.247 4.226 4.470 0.005 0.000 0.236 195 S C 1.141 175.456 174.600 -0.475 0.000 1.007 195 S CA 0.988 58.725 58.200 -0.772 0.000 0.965 195 S CB -1.249 61.533 63.200 -0.697 0.000 0.773 195 S HN 0.679 nan 8.310 nan 0.000 0.504 196 Y N 2.686 122.852 120.300 -0.224 0.000 2.502 196 Y HA 0.432 4.985 4.550 0.005 0.000 0.295 196 Y C 1.512 177.259 175.900 -0.254 0.000 1.193 196 Y CA 0.149 58.155 58.100 -0.156 0.000 1.295 196 Y CB -0.306 38.115 38.460 -0.065 0.000 1.059 196 Y HN 0.591 nan 8.280 nan 0.000 0.514 197 G N -0.836 107.836 108.800 -0.214 0.000 2.515 197 G HA2 -0.053 3.910 3.960 0.005 0.000 0.686 197 G HA3 -0.053 3.910 3.960 0.005 0.000 0.686 197 G C -1.371 173.283 174.900 -0.411 0.000 1.274 197 G CA -0.841 43.946 45.100 -0.521 0.000 0.874 197 G HN 0.162 nan 8.290 nan 0.000 0.631 198 W N -0.091 120.781 121.300 -0.714 0.000 2.895 198 W HA 0.344 5.007 4.660 0.005 0.000 0.377 198 W C 0.038 176.373 176.519 -0.306 0.000 1.191 198 W CA 0.391 57.373 57.345 -0.605 0.000 1.179 198 W CB 1.171 30.008 29.460 -1.037 0.000 1.469 198 W HN 0.816 nan 8.180 nan 0.000 0.577 199 D N -0.462 119.834 120.400 -0.174 0.000 2.363 199 D HA -0.086 4.557 4.640 0.005 0.000 0.226 199 D C 1.011 177.576 176.300 0.442 0.000 1.020 199 D CA 0.731 54.838 54.000 0.178 0.000 0.892 199 D CB -0.540 40.396 40.800 0.226 0.000 0.900 199 D HN 0.425 nan 8.370 nan 0.000 0.531 200 W N -1.178 120.479 121.300 0.594 0.000 2.304 200 W HA 0.587 5.251 4.660 0.005 0.000 0.326 200 W C -0.174 176.652 176.519 0.513 0.000 0.920 200 W CA -0.723 56.898 57.345 0.460 0.000 1.518 200 W CB 0.130 29.867 29.460 0.462 0.000 1.112 200 W HN -0.005 nan 8.180 nan 0.000 0.528 201 G N 1.866 110.833 108.800 0.279 0.000 2.571 201 G HA2 0.535 4.498 3.960 0.005 0.000 0.304 201 G HA3 0.535 4.498 3.960 0.005 0.000 0.304 201 G C -1.409 173.281 174.900 -0.351 0.000 1.314 201 G CA -0.947 44.190 45.100 0.063 0.000 0.975 201 G HN 0.108 nan 8.290 nan 0.000 0.485 202 I N 0.464 120.333 120.570 -1.169 0.000 2.638 202 I HA 0.382 4.555 4.170 0.005 0.000 0.286 202 I C 0.721 176.506 176.117 -0.554 0.000 1.088 202 I CA -0.878 59.751 61.300 -1.119 0.000 1.397 202 I CB 0.752 37.730 38.000 -1.703 0.000 1.414 202 I HN 0.440 nan 8.210 nan 0.000 0.566 203 R N 8.170 128.461 120.500 -0.347 0.000 2.248 203 R HA 0.402 4.745 4.340 0.005 0.000 0.328 203 R C -1.296 174.812 176.300 -0.320 0.000 1.067 203 R CA -0.109 55.830 56.100 -0.267 0.000 0.924 203 R CB 0.405 30.646 30.300 -0.098 0.000 1.013 203 R HN 0.692 nan 8.270 nan 0.000 0.454 204 M N 5.657 125.002 119.600 -0.425 0.000 1.988 204 M HA 0.157 4.640 4.480 0.005 0.000 0.243 204 M C -1.040 174.910 176.300 -0.583 0.000 0.897 204 M CA -0.609 54.359 55.300 -0.553 0.000 0.935 204 M CB 2.139 34.351 32.600 -0.648 0.000 1.956 204 M HN 0.236 nan 8.290 nan 0.000 0.389 205 V N 1.706 121.356 119.914 -0.440 0.000 2.229 205 V HA 0.092 4.215 4.120 0.005 0.000 0.245 205 V C 0.754 176.693 176.094 -0.258 0.000 1.243 205 V CA 0.380 62.401 62.300 -0.464 0.000 1.176 205 V CB 0.149 31.694 31.823 -0.464 0.000 1.323 205 V HN 0.743 nan 8.190 nan 0.000 0.499 206 T N 3.091 117.454 114.554 -0.319 0.000 2.849 206 T HA 0.613 4.966 4.350 0.005 0.000 0.276 206 T C 0.150 174.727 174.700 -0.205 0.000 0.971 206 T CA -0.162 61.844 62.100 -0.156 0.000 0.949 206 T CB 1.313 70.046 68.868 -0.224 0.000 1.093 206 T HN 0.615 nan 8.240 nan 0.000 0.545 207 S N -1.205 114.337 115.700 -0.263 0.000 2.607 207 S HA 0.864 5.337 4.470 0.005 0.000 0.273 207 S C -0.271 173.937 174.600 -0.653 0.000 1.148 207 S CA -0.120 57.864 58.200 -0.360 0.000 0.833 207 S CB 1.682 64.745 63.200 -0.228 0.000 1.130 207 S HN 1.345 nan 8.310 nan 0.000 0.470 208 G N -0.342 107.803 108.800 -1.093 0.000 2.359 208 G HA2 0.203 4.166 3.960 0.005 0.000 0.303 208 G HA3 0.203 4.166 3.960 0.005 0.000 0.303 208 G C -1.843 172.673 174.900 -0.641 0.000 1.293 208 G CA -0.644 43.631 45.100 -1.375 0.000 0.964 208 G HN 0.892 nan 8.290 nan 0.000 0.531 209 V N 2.390 121.997 119.914 -0.512 0.000 2.299 209 V HA 0.260 4.383 4.120 0.005 0.000 0.255 209 V C 1.320 177.378 176.094 -0.060 0.000 1.100 209 V CA 0.217 62.445 62.300 -0.121 0.000 0.938 209 V CB 0.044 31.691 31.823 -0.293 0.000 1.139 209 V HN 0.810 nan 8.190 nan 0.000 0.490 210 W N 5.242 126.474 121.300 -0.114 0.000 3.077 210 W HA 0.313 4.976 4.660 0.005 0.000 0.266 210 W C 0.318 176.836 176.519 -0.002 0.000 1.300 210 W CA -0.546 56.751 57.345 -0.081 0.000 1.586 210 W CB 0.174 29.600 29.460 -0.056 0.000 1.103 210 W HN 0.344 nan 8.180 nan 0.000 0.652 211 R N 0.131 120.385 120.500 -0.409 0.000 2.888 211 R HA 0.429 4.772 4.340 0.005 0.000 0.264 211 R C -2.573 173.622 176.300 -0.176 0.000 1.045 211 R CA -2.125 53.740 56.100 -0.392 0.000 0.962 211 R CB 1.189 31.102 30.300 -0.646 0.000 1.210 211 R HN -0.400 nan 8.270 nan 0.000 0.479 212 P HA 0.015 nan 4.420 nan 0.000 0.268 212 P C -0.976 176.289 177.300 -0.057 0.000 1.208 212 P CA -0.110 62.950 63.100 -0.066 0.000 0.777 212 P CB 0.538 32.208 31.700 -0.051 0.000 0.875 213 V N 1.716 121.603 119.914 -0.046 0.000 2.459 213 V HA 0.619 4.742 4.120 0.005 0.000 0.295 213 V C 0.325 176.335 176.094 -0.139 0.000 1.029 213 V CA -0.278 61.934 62.300 -0.148 0.000 0.874 213 V CB 1.511 33.307 31.823 -0.046 0.000 0.985 213 V HN 0.681 nan 8.190 nan 0.000 0.438 214 T N 4.162 118.587 114.554 -0.216 0.000 2.909 214 T HA 0.725 5.078 4.350 0.005 0.000 0.299 214 T C -1.607 172.952 174.700 -0.235 0.000 1.073 214 T CA -0.604 61.396 62.100 -0.167 0.000 0.999 214 T CB 1.720 70.532 68.868 -0.094 0.000 1.098 214 T HN 0.397 nan 8.240 nan 0.000 0.477 215 L N 3.033 124.120 121.223 -0.227 0.000 2.325 215 L HA 0.674 5.017 4.340 0.005 0.000 0.281 215 L C -0.093 176.597 176.870 -0.301 0.000 1.004 215 L CA -0.549 54.087 54.840 -0.340 0.000 0.823 215 L CB 1.405 43.211 42.059 -0.422 0.000 1.236 215 L HN 0.824 nan 8.230 nan 0.000 0.415 216 R N 4.430 124.740 120.500 -0.317 0.000 2.343 216 R HA 0.524 4.867 4.340 0.005 0.000 0.320 216 R C -1.647 174.558 176.300 -0.158 0.000 0.956 216 R CA -0.453 55.580 56.100 -0.113 0.000 0.836 216 R CB 0.717 31.007 30.300 -0.017 0.000 1.151 216 R HN 0.476 nan 8.270 nan 0.000 0.450 217 F N 5.913 125.952 119.950 0.148 0.000 2.415 217 F HA 0.405 4.935 4.527 0.005 0.000 0.348 217 F C -0.272 175.627 175.800 0.166 0.000 1.119 217 F CA -0.502 57.557 58.000 0.099 0.000 1.069 217 F CB 1.044 40.064 39.000 0.034 0.000 1.124 217 F HN 0.482 nan 8.300 nan 0.000 0.472 218 Y N -0.662 119.721 120.300 0.138 0.000 2.670 218 Y HA 0.649 5.202 4.550 0.005 0.000 0.334 218 Y C -1.800 174.135 175.900 0.059 0.000 1.185 218 Y CA -1.583 56.565 58.100 0.079 0.000 1.053 218 Y CB 1.209 39.691 38.460 0.036 0.000 1.298 218 Y HN 0.328 nan 8.280 nan 0.000 0.459 219 D N 2.230 122.740 120.400 0.183 0.000 2.248 219 D HA 0.452 5.095 4.640 0.005 0.000 0.246 219 D C 0.700 177.116 176.300 0.193 0.000 1.027 219 D CA -0.043 54.003 54.000 0.077 0.000 0.853 219 D CB 2.030 42.864 40.800 0.058 0.000 1.243 219 D HN 0.768 nan 8.370 nan 0.000 0.462 220 I N -0.529 120.102 120.570 0.102 0.000 4.624 220 I HA -0.373 3.800 4.170 0.005 0.000 0.049 220 I C 0.503 176.743 176.117 0.205 0.000 0.621 220 I CA 1.624 62.994 61.300 0.117 0.000 0.836 220 I CB -1.895 36.154 38.000 0.081 0.000 0.765 220 I HN 0.629 nan 8.210 nan 0.000 0.159 221 A N 0.139 123.133 122.820 0.289 0.000 2.601 221 A HA 0.753 5.076 4.320 0.005 0.000 0.291 221 A C -0.181 177.376 177.584 -0.044 0.000 1.075 221 A CA 0.397 52.542 52.037 0.179 0.000 0.671 221 A CB 1.543 20.577 19.000 0.057 0.000 1.277 221 A HN 0.666 nan 8.150 nan 0.000 0.417 222 T N -1.227 113.189 114.554 -0.229 0.000 2.924 222 T HA 0.725 5.078 4.350 0.005 0.000 0.291 222 T C -0.435 174.160 174.700 -0.175 0.000 1.045 222 T CA -0.497 61.392 62.100 -0.352 0.000 1.015 222 T CB 1.031 69.566 68.868 -0.554 0.000 1.103 222 T HN 0.548 nan 8.240 nan 0.000 0.496 223 I N 3.184 123.666 120.570 -0.146 0.000 2.308 223 I HA 0.147 4.320 4.170 0.005 0.000 0.293 223 I C 1.559 177.637 176.117 -0.064 0.000 1.078 223 I CA -0.449 60.799 61.300 -0.087 0.000 1.292 223 I CB 1.197 39.149 38.000 -0.080 0.000 1.423 223 I HN 0.965 nan 8.210 nan 0.000 0.493 224 S N 2.860 118.532 115.700 -0.047 0.000 2.470 224 S HA 0.027 4.500 4.470 0.005 0.000 0.225 224 S C 0.278 174.886 174.600 0.014 0.000 1.006 224 S CA 0.092 58.276 58.200 -0.028 0.000 0.934 224 S CB -0.011 63.171 63.200 -0.029 0.000 0.778 224 S HN 0.716 nan 8.310 nan 0.000 0.517 225 D N -0.914 119.518 120.400 0.055 0.000 2.886 225 D HA 0.441 5.084 4.640 0.005 0.000 0.216 225 D C -2.166 174.275 176.300 0.235 0.000 1.256 225 D CA -0.535 53.535 54.000 0.117 0.000 0.844 225 D CB 1.369 42.223 40.800 0.091 0.000 1.669 225 D HN 0.110 nan 8.370 nan 0.000 0.513 226 Y N 3.960 124.346 120.300 0.143 0.000 2.329 226 Y HA 0.541 5.094 4.550 0.005 0.000 0.328 226 Y C -2.297 173.777 175.900 0.291 0.000 0.992 226 Y CA -1.246 56.967 58.100 0.188 0.000 1.151 226 Y CB 0.787 39.326 38.460 0.132 0.000 1.150 226 Y HN 0.405 nan 8.280 nan 0.000 0.450 227 Y N 6.214 126.546 120.300 0.053 0.000 2.331 227 Y HA 0.632 5.185 4.550 0.005 0.000 0.334 227 Y C -1.621 174.131 175.900 -0.248 0.000 0.960 227 Y CA -1.760 56.230 58.100 -0.184 0.000 1.130 227 Y CB 1.443 39.866 38.460 -0.061 0.000 1.164 227 Y HN 0.350 nan 8.280 nan 0.000 0.458 228 V N 8.117 127.596 119.914 -0.726 0.000 2.304 228 V HA 0.362 4.485 4.120 0.005 0.000 0.262 228 V C 0.254 175.768 176.094 -0.967 0.000 1.061 228 V CA -0.586 61.260 62.300 -0.758 0.000 0.872 228 V CB 0.251 31.570 31.823 -0.841 0.000 1.077 228 V HN 0.697 nan 8.190 nan 0.000 0.480 229 R N 3.998 123.917 120.500 -0.969 0.000 2.298 229 R HA 0.266 4.609 4.340 0.005 0.000 0.310 229 R C 0.062 176.141 176.300 -0.368 0.000 1.068 229 R CA -0.368 55.274 56.100 -0.763 0.000 0.957 229 R CB 0.716 30.665 30.300 -0.585 0.000 1.003 229 R HN 0.749 nan 8.270 nan 0.000 0.454 230 Q N 5.289 124.930 119.800 -0.265 0.000 2.377 230 Q HA 0.107 4.450 4.340 0.005 0.000 0.249 230 Q C 0.439 176.380 176.000 -0.099 0.000 1.005 230 Q CA -0.249 55.456 55.803 -0.163 0.000 0.912 230 Q CB 0.975 29.629 28.738 -0.140 0.000 1.223 230 Q HN 0.793 nan 8.270 nan 0.000 0.459 231 L N 2.084 123.260 121.223 -0.079 0.000 2.131 231 L HA 0.039 4.382 4.340 0.005 0.000 0.206 231 L C 0.648 177.500 176.870 -0.031 0.000 1.087 231 L CA 0.480 55.291 54.840 -0.048 0.000 0.767 231 L CB -0.121 41.914 42.059 -0.040 0.000 0.917 231 L HN 0.618 nan 8.230 nan 0.000 0.441 232 S N -0.966 114.717 115.700 -0.028 0.000 2.552 232 S HA 0.636 5.109 4.470 0.005 0.000 0.272 232 S C -1.259 173.334 174.600 -0.010 0.000 1.150 232 S CA -0.858 57.334 58.200 -0.014 0.000 0.849 232 S CB 2.477 65.672 63.200 -0.008 0.000 1.113 232 S HN -0.000 nan 8.310 nan 0.000 0.458 233 L N 1.730 122.954 121.223 0.003 0.000 2.516 233 L HA 0.835 5.178 4.340 0.005 0.000 0.267 233 L C -0.479 176.405 176.870 0.025 0.000 0.957 233 L CA 0.356 55.204 54.840 0.014 0.000 0.860 233 L CB 1.947 44.018 42.059 0.021 0.000 1.265 233 L HN 1.241 nan 8.230 nan 0.000 0.403 234 T N -0.846 113.724 114.554 0.026 0.000 2.864 234 T HA 0.445 4.798 4.350 0.005 0.000 0.289 234 T C 0.304 175.026 174.700 0.037 0.000 1.082 234 T CA -0.542 61.576 62.100 0.030 0.000 1.009 234 T CB 1.300 70.181 68.868 0.022 0.000 1.234 234 T HN 0.460 nan 8.240 nan 0.000 0.526 235 D N 0.330 120.753 120.400 0.037 0.000 2.221 235 D HA -0.035 4.608 4.640 0.005 0.000 0.204 235 D C 1.577 177.900 176.300 0.038 0.000 0.982 235 D CA 1.273 55.298 54.000 0.041 0.000 0.857 235 D CB 0.028 40.848 40.800 0.034 0.000 0.934 235 D HN 0.678 nan 8.370 nan 0.000 0.475 236 E N -0.489 119.729 120.200 0.030 0.000 2.250 236 E HA 0.095 4.448 4.350 0.005 0.000 0.192 236 E C 0.246 176.861 176.600 0.024 0.000 0.986 236 E CA 0.302 56.718 56.400 0.026 0.000 0.849 236 E CB 0.303 30.014 29.700 0.019 0.000 0.797 236 E HN 0.027 nan 8.360 nan 0.000 0.482 237 N N -0.875 117.838 118.700 0.022 0.000 2.446 237 N HA 0.499 5.242 4.740 0.005 0.000 0.272 237 N C -2.020 173.495 175.510 0.008 0.000 1.127 237 N CA -0.375 52.683 53.050 0.014 0.000 0.896 237 N CB 1.633 40.125 38.487 0.009 0.000 1.658 237 N HN -0.027 nan 8.380 nan 0.000 0.483 238 A N 2.617 125.435 122.820 -0.003 0.000 2.287 238 A HA 0.711 5.034 4.320 0.005 0.000 0.317 238 A C -0.567 177.008 177.584 -0.015 0.000 1.220 238 A CA -0.585 51.443 52.037 -0.015 0.000 0.835 238 A CB 0.562 19.539 19.000 -0.039 0.000 1.180 238 A HN 0.614 nan 8.150 nan 0.000 0.500 239 R N 2.510 123.000 120.500 -0.017 0.000 2.265 239 R HA 0.553 4.896 4.340 0.005 0.000 0.328 239 R C -1.125 175.159 176.300 -0.027 0.000 0.969 239 R CA -0.622 55.470 56.100 -0.014 0.000 0.832 239 R CB 1.168 31.460 30.300 -0.014 0.000 1.139 239 R HN 0.478 nan 8.270 nan 0.000 0.457 240 L N 1.061 122.279 121.223 -0.008 0.000 2.333 240 L HA 0.472 4.815 4.340 0.005 0.000 0.269 240 L C 0.162 177.021 176.870 -0.019 0.000 1.010 240 L CA -0.460 54.366 54.840 -0.025 0.000 0.818 240 L CB 1.819 43.916 42.059 0.065 0.000 1.306 240 L HN 0.509 nan 8.230 nan 0.000 0.430 241 S N 1.499 117.155 115.700 -0.074 0.000 2.640 241 S HA 0.464 4.937 4.470 0.005 0.000 0.320 241 S C -0.518 174.053 174.600 -0.049 0.000 1.097 241 S CA -0.643 57.528 58.200 -0.049 0.000 1.092 241 S CB 0.065 63.224 63.200 -0.068 0.000 0.988 241 S HN 0.639 nan 8.310 nan 0.000 0.470 242 N N 3.887 122.629 118.700 0.070 0.000 2.415 242 N HA 0.231 4.974 4.740 0.005 0.000 0.246 242 N C -0.878 174.741 175.510 0.182 0.000 1.078 242 N CA -0.273 52.898 53.050 0.203 0.000 0.942 242 N CB 0.823 39.500 38.487 0.317 0.000 1.140 242 N HN 0.596 nan 8.380 nan 0.000 0.501 243 E N 2.294 122.611 120.200 0.195 0.000 2.133 243 E HA 0.359 4.712 4.350 0.005 0.000 0.274 243 E C -0.711 176.063 176.600 0.289 0.000 0.930 243 E CA -0.519 56.003 56.400 0.203 0.000 0.770 243 E CB 1.555 31.374 29.700 0.199 0.000 1.104 243 E HN 0.313 nan 8.360 nan 0.000 0.403 244 L N 4.067 125.408 121.223 0.197 0.000 2.346 244 L HA 0.557 4.900 4.340 0.005 0.000 0.274 244 L C -0.459 176.473 176.870 0.103 0.000 1.007 244 L CA -0.778 54.150 54.840 0.146 0.000 0.818 244 L CB 1.572 43.647 42.059 0.026 0.000 1.284 244 L HN 0.433 nan 8.230 nan 0.000 0.424 245 I N 3.280 123.892 120.570 0.070 0.000 2.355 245 I HA 0.399 4.572 4.170 0.005 0.000 0.288 245 I C -0.786 175.294 176.117 -0.061 0.000 0.999 245 I CA -0.714 60.567 61.300 -0.032 0.000 1.163 245 I CB 1.928 39.930 38.000 0.003 0.000 1.316 245 I HN 0.182 nan 8.210 nan 0.000 0.454 246 V N 5.370 125.220 119.914 -0.106 0.000 2.448 246 V HA 0.324 4.447 4.120 0.005 0.000 0.295 246 V C -0.262 175.784 176.094 -0.080 0.000 1.025 246 V CA -0.698 61.554 62.300 -0.080 0.000 0.859 246 V CB 1.912 33.697 31.823 -0.063 0.000 0.988 246 V HN 0.670 nan 8.190 nan 0.000 0.431 247 N N 4.133 122.798 118.700 -0.058 0.000 2.469 247 N HA 0.195 4.938 4.740 0.005 0.000 0.253 247 N C -0.502 175.018 175.510 0.018 0.000 0.970 247 N CA -0.233 52.801 53.050 -0.027 0.000 0.940 247 N CB 1.224 39.700 38.487 -0.019 0.000 1.128 247 N HN 0.686 nan 8.380 nan 0.000 0.503 248 Q N 3.965 123.780 119.800 0.026 0.000 2.278 248 Q HA 0.255 4.598 4.340 0.005 0.000 0.257 248 Q C -0.127 175.916 176.000 0.071 0.000 0.928 248 Q CA -0.266 55.571 55.803 0.056 0.000 0.932 248 Q CB 1.292 30.047 28.738 0.028 0.000 1.221 248 Q HN 0.750 nan 8.270 nan 0.000 0.434 249 I N 4.227 124.861 120.570 0.106 0.000 4.018 249 I HA 0.031 4.204 4.170 0.005 0.000 0.337 249 I C -0.111 176.027 176.117 0.034 0.000 1.327 249 I CA 0.070 61.422 61.300 0.086 0.000 1.100 249 I CB 0.912 38.992 38.000 0.133 0.000 1.025 249 I HN 0.398 nan 8.210 nan 0.000 0.396 250 V N -2.837 117.096 119.914 0.031 0.000 2.732 250 V HA 0.572 4.695 4.120 0.005 0.000 0.310 250 V C -1.839 174.264 176.094 0.014 0.000 1.053 250 V CA -1.546 60.762 62.300 0.013 0.000 0.957 250 V CB 0.737 32.566 31.823 0.010 0.000 1.018 250 V HN -0.111 nan 8.190 nan 0.000 0.452 251 P HA -0.017 nan 4.420 nan 0.000 0.218 251 P C 0.155 177.461 177.300 0.010 0.000 1.149 251 P CA 1.043 64.148 63.100 0.010 0.000 0.817 251 P CB 0.097 31.801 31.700 0.007 0.000 0.785 252 Q N -0.151 119.655 119.800 0.010 0.000 2.317 252 Q HA 0.273 4.616 4.340 0.005 0.000 0.229 252 Q C 0.003 176.010 176.000 0.011 0.000 0.984 252 Q CA -0.136 55.672 55.803 0.009 0.000 0.911 252 Q CB 0.399 29.141 28.738 0.008 0.000 1.217 252 Q HN 0.011 nan 8.270 nan 0.000 0.501 253 K N 1.143 121.549 120.400 0.010 0.000 2.297 253 K HA 0.338 4.661 4.320 0.005 0.000 0.286 253 K C -0.688 175.917 176.600 0.009 0.000 1.053 253 K CA -0.203 56.089 56.287 0.010 0.000 0.940 253 K CB 0.667 33.172 32.500 0.009 0.000 1.019 253 K HN 0.373 nan 8.250 nan 0.000 0.475 254 I N 5.383 125.959 120.570 0.010 0.000 2.382 254 I HA 0.251 4.424 4.170 0.005 0.000 0.285 254 I C -2.391 173.731 176.117 0.007 0.000 1.007 254 I CA -3.132 58.174 61.300 0.010 0.000 1.142 254 I CB 1.107 39.116 38.000 0.014 0.000 1.289 254 I HN 0.276 nan 8.210 nan 0.000 0.453 255 P HA 0.276 nan 4.420 nan 0.000 0.268 255 P C -0.558 176.743 177.300 0.002 0.000 1.204 255 P CA 0.101 63.203 63.100 0.004 0.000 0.768 255 P CB 0.942 32.644 31.700 0.003 0.000 0.842 256 A N 2.105 124.925 122.820 -0.000 0.000 2.594 256 A HA 0.605 4.928 4.320 0.005 0.000 0.291 256 A C -1.283 176.296 177.584 -0.007 0.000 1.105 256 A CA -0.552 51.483 52.037 -0.004 0.000 0.694 256 A CB 1.404 20.401 19.000 -0.005 0.000 1.291 256 A HN 0.477 nan 8.150 nan 0.000 0.410 257 E N 0.866 121.059 120.200 -0.012 0.000 2.165 257 E HA 0.562 4.915 4.350 0.005 0.000 0.266 257 E C -1.506 175.079 176.600 -0.025 0.000 0.889 257 E CA -0.524 55.867 56.400 -0.015 0.000 0.756 257 E CB 1.635 31.327 29.700 -0.014 0.000 1.131 257 E HN 0.438 nan 8.360 nan 0.000 0.411 258 V N 5.416 125.313 119.914 -0.028 0.000 2.432 258 V HA 0.406 4.529 4.120 0.005 0.000 0.275 258 V C 0.147 176.213 176.094 -0.046 0.000 1.043 258 V CA -0.327 61.946 62.300 -0.045 0.000 0.925 258 V CB 1.055 32.852 31.823 -0.044 0.000 0.985 258 V HN 0.649 nan 8.190 nan 0.000 0.466 259 R N 3.478 123.941 120.500 -0.062 0.000 2.599 259 R HA 0.760 5.103 4.340 0.005 0.000 0.295 259 R C -1.615 174.639 176.300 -0.076 0.000 0.963 259 R CA -0.767 55.300 56.100 -0.056 0.000 0.883 259 R CB 2.446 32.718 30.300 -0.047 0.000 1.171 259 R HN 0.467 nan 8.270 nan 0.000 0.450 260 V N 2.919 122.799 119.914 -0.055 0.000 2.487 260 V HA 0.291 4.414 4.120 0.005 0.000 0.298 260 V C -0.344 175.715 176.094 -0.058 0.000 1.028 260 V CA -0.894 61.378 62.300 -0.045 0.000 0.860 260 V CB 1.759 33.593 31.823 0.017 0.000 0.991 260 V HN 0.696 nan 8.190 nan 0.000 0.427 261 N N 3.884 122.545 118.700 -0.065 0.000 2.372 261 N HA 0.515 5.258 4.740 0.005 0.000 0.291 261 N C -1.468 173.934 175.510 -0.179 0.000 1.024 261 N CA -0.227 52.767 53.050 -0.094 0.000 0.873 261 N CB 2.243 40.697 38.487 -0.054 0.000 1.206 261 N HN 0.381 nan 8.380 nan 0.000 0.486 262 V N 2.295 122.047 119.914 -0.271 0.000 2.384 262 V HA 0.466 4.589 4.120 0.005 0.000 0.287 262 V C -0.142 175.862 176.094 -0.150 0.000 1.020 262 V CA -0.470 61.559 62.300 -0.451 0.000 0.850 262 V CB 1.249 32.638 31.823 -0.723 0.000 0.987 262 V HN 0.678 nan 8.190 nan 0.000 0.436 263 S N 4.474 120.150 115.700 -0.039 0.000 2.632 263 S HA 0.840 5.313 4.470 0.005 0.000 0.289 263 S C -1.317 173.313 174.600 0.051 0.000 1.115 263 S CA -0.580 57.632 58.200 0.021 0.000 0.889 263 S CB 2.152 65.355 63.200 0.004 0.000 1.116 263 S HN 0.491 nan 8.310 nan 0.000 0.486 264 L N 2.770 123.985 121.223 -0.014 0.000 2.438 264 L HA 0.544 4.887 4.340 0.005 0.000 0.270 264 L C 0.289 177.119 176.870 -0.067 0.000 0.972 264 L CA 0.078 54.850 54.840 -0.112 0.000 0.831 264 L CB 0.843 42.756 42.059 -0.243 0.000 1.273 264 L HN 0.932 nan 8.230 nan 0.000 0.405 265 N N 3.775 122.442 118.700 -0.055 0.000 2.721 265 N HA -0.230 4.513 4.740 0.005 0.000 0.249 265 N C 0.911 176.411 175.510 -0.016 0.000 1.072 265 N CA 0.844 53.875 53.050 -0.032 0.000 0.710 265 N CB -0.429 38.033 38.487 -0.041 0.000 0.993 265 N HN 1.303 nan 8.380 nan 0.000 0.547 266 G N -1.900 106.895 108.800 -0.008 0.000 2.179 266 G HA2 -0.266 3.697 3.960 0.005 0.000 0.260 266 G HA3 -0.266 3.697 3.960 0.005 0.000 0.260 266 G C 0.042 174.939 174.900 -0.004 0.000 0.977 266 G CA 0.717 45.815 45.100 -0.003 0.000 0.641 266 G HN 0.494 nan 8.290 nan 0.000 0.533 267 T N 1.743 116.293 114.554 -0.007 0.000 2.792 267 T HA 0.553 4.906 4.350 0.005 0.000 0.280 267 T C 0.318 175.016 174.700 -0.003 0.000 0.990 267 T CA 0.104 62.200 62.100 -0.005 0.000 0.960 267 T CB 1.632 70.496 68.868 -0.006 0.000 0.939 267 T HN 0.212 nan 8.240 nan 0.000 0.439 268 T N 3.006 117.556 114.554 -0.006 0.000 2.902 268 T HA 0.109 4.462 4.350 0.005 0.000 0.301 268 T C 1.465 176.164 174.700 -0.001 0.000 1.012 268 T CA -0.234 61.859 62.100 -0.011 0.000 1.151 268 T CB 0.674 69.531 68.868 -0.018 0.000 0.946 268 T HN 0.355 nan 8.240 nan 0.000 0.542 269 V N 2.377 122.293 119.914 0.004 0.000 2.581 269 V HA 0.198 4.321 4.120 0.005 0.000 0.240 269 V C 1.245 177.332 176.094 -0.011 0.000 1.054 269 V CA 0.844 63.159 62.300 0.025 0.000 1.076 269 V CB 0.539 32.425 31.823 0.104 0.000 0.748 269 V HN 0.934 nan 8.190 nan 0.000 0.474 270 T N -0.708 113.813 114.554 -0.054 0.000 2.885 270 T HA 0.498 4.851 4.350 0.005 0.000 0.322 270 T C -1.880 172.769 174.700 -0.085 0.000 1.387 270 T CA -0.455 61.606 62.100 -0.064 0.000 1.041 270 T CB 2.247 71.074 68.868 -0.069 0.000 1.287 270 T HN 0.355 nan 8.240 nan 0.000 0.491 271 E N 1.484 121.648 120.200 -0.060 0.000 2.308 271 E HA 0.674 5.027 4.350 0.005 0.000 0.275 271 E C -1.312 175.264 176.600 -0.040 0.000 0.890 271 E CA -0.845 55.521 56.400 -0.056 0.000 0.754 271 E CB 1.935 31.609 29.700 -0.042 0.000 1.207 271 E HN 0.622 nan 8.360 nan 0.000 0.426 272 V N 0.494 120.386 119.914 -0.037 0.000 3.007 272 V HA 0.793 4.916 4.120 0.005 0.000 0.311 272 V C -1.139 174.942 176.094 -0.022 0.000 1.120 272 V CA -0.874 61.413 62.300 -0.023 0.000 0.980 272 V CB 1.752 33.568 31.823 -0.013 0.000 1.033 272 V HN 0.770 nan 8.190 nan 0.000 0.429 273 K N 1.768 122.158 120.400 -0.016 0.000 2.533 273 K HA 0.775 5.098 4.320 0.005 0.000 0.272 273 K C -1.530 175.063 176.600 -0.011 0.000 0.985 273 K CA -0.827 55.449 56.287 -0.017 0.000 0.876 273 K CB 2.811 35.300 32.500 -0.018 0.000 1.452 273 K HN 0.875 nan 8.250 nan 0.000 0.439 274 Q N 1.497 121.290 119.800 -0.012 0.000 2.295 274 Q HA 0.150 4.493 4.340 0.005 0.000 0.268 274 Q C -1.382 174.614 176.000 -0.007 0.000 1.010 274 Q CA -0.701 55.097 55.803 -0.007 0.000 0.856 274 Q CB 2.171 30.907 28.738 -0.003 0.000 1.349 274 Q HN 0.581 nan 8.270 nan 0.000 0.412 275 Q N 1.947 121.744 119.800 -0.004 0.000 2.261 275 Q HA 0.497 4.840 4.340 0.005 0.000 0.252 275 Q C -0.075 175.925 176.000 -0.001 0.000 0.915 275 Q CA -0.201 55.600 55.803 -0.003 0.000 0.915 275 Q CB 1.713 30.450 28.738 -0.002 0.000 1.204 275 Q HN 0.555 nan 8.270 nan 0.000 0.421 276 V N -1.252 118.662 119.914 -0.001 0.000 3.167 276 V HA 0.791 4.914 4.120 0.005 0.000 0.310 276 V C -0.494 175.602 176.094 0.003 0.000 1.207 276 V CA -0.867 61.435 62.300 0.002 0.000 1.059 276 V CB 2.316 34.140 31.823 0.002 0.000 1.079 276 V HN 0.642 nan 8.190 nan 0.000 0.446 277 T N 2.923 117.480 114.554 0.005 0.000 2.815 277 T HA 0.600 4.953 4.350 0.005 0.000 0.289 277 T C -0.381 174.323 174.700 0.006 0.000 1.000 277 T CA -0.242 61.861 62.100 0.006 0.000 0.958 277 T CB 0.822 69.694 68.868 0.006 0.000 0.944 277 T HN 0.664 nan 8.240 nan 0.000 0.442 278 L N 3.884 125.110 121.223 0.005 0.000 2.360 278 L HA 0.282 4.625 4.340 0.005 0.000 0.276 278 L C 0.703 177.578 176.870 0.008 0.000 1.121 278 L CA -0.670 54.173 54.840 0.004 0.000 0.845 278 L CB 0.448 42.509 42.059 0.004 0.000 1.143 278 L HN 0.393 nan 8.230 nan 0.000 0.452 279 Q N 3.804 123.608 119.800 0.007 0.000 2.227 279 Q HA 0.382 4.725 4.340 0.005 0.000 0.245 279 Q C -2.236 173.770 176.000 0.010 0.000 0.926 279 Q CA -2.235 53.574 55.803 0.010 0.000 0.895 279 Q CB 0.751 29.497 28.738 0.013 0.000 1.230 279 Q HN 0.288 nan 8.270 nan 0.000 0.450 280 P HA 0.046 nan 4.420 nan 0.000 0.264 280 P C 0.381 177.689 177.300 0.014 0.000 1.183 280 P CA 1.280 64.390 63.100 0.017 0.000 0.763 280 P CB 0.306 32.016 31.700 0.017 0.000 0.807 281 G N 2.944 111.753 108.800 0.016 0.000 2.499 281 G HA2 -0.188 3.775 3.960 0.005 0.000 0.232 281 G HA3 -0.188 3.775 3.960 0.005 0.000 0.232 281 G C -0.806 174.085 174.900 -0.015 0.000 1.251 281 G CA -0.777 44.328 45.100 0.009 0.000 0.917 281 G HN 0.485 nan 8.290 nan 0.000 0.580 282 I N 2.569 123.120 120.570 -0.033 0.000 2.474 282 I HA 0.318 4.491 4.170 0.005 0.000 0.287 282 I C 0.397 176.426 176.117 -0.147 0.000 1.048 282 I CA -0.383 60.851 61.300 -0.109 0.000 1.383 282 I CB 0.613 38.539 38.000 -0.124 0.000 1.412 282 I HN 0.467 nan 8.210 nan 0.000 0.531 283 N N 5.629 124.202 118.700 -0.212 0.000 2.258 283 N HA 0.343 5.086 4.740 0.005 0.000 0.299 283 N C -0.821 174.517 175.510 -0.286 0.000 1.047 283 N CA -0.603 52.349 53.050 -0.165 0.000 0.814 283 N CB 2.067 40.516 38.487 -0.064 0.000 1.413 283 N HN 0.489 nan 8.380 nan 0.000 0.478 284 H N 2.097 121.180 119.070 0.023 0.000 2.511 284 H HA 0.462 5.021 4.556 0.005 0.000 0.328 284 H C -0.376 174.967 175.328 0.025 0.000 1.044 284 H CA -0.162 55.904 56.048 0.029 0.000 1.212 284 H CB 1.682 31.461 29.762 0.028 0.000 1.428 284 H HN 0.405 nan 8.280 nan 0.000 0.483 285 I N 2.395 123.037 120.570 0.120 0.000 2.498 285 I HA 0.177 4.350 4.170 0.005 0.000 0.290 285 I C -0.192 175.973 176.117 0.080 0.000 1.032 285 I CA -0.304 61.040 61.300 0.073 0.000 1.073 285 I CB 2.247 40.264 38.000 0.028 0.000 1.251 285 I HN 0.398 nan 8.210 nan 0.000 0.426 286 T N 6.934 121.526 114.554 0.063 0.000 2.841 286 T HA 0.658 5.011 4.350 0.005 0.000 0.285 286 T C -0.756 173.969 174.700 0.042 0.000 0.991 286 T CA -0.453 61.683 62.100 0.060 0.000 0.966 286 T CB 1.279 70.177 68.868 0.051 0.000 0.962 286 T HN 0.118 nan 8.240 nan 0.000 0.438 287 L N 5.538 126.791 121.223 0.049 0.000 2.372 287 L HA 0.485 4.828 4.340 0.005 0.000 0.274 287 L C -2.453 174.444 176.870 0.046 0.000 0.988 287 L CA -1.959 52.903 54.840 0.038 0.000 0.833 287 L CB 1.569 43.647 42.059 0.031 0.000 1.236 287 L HN 0.348 nan 8.230 nan 0.000 0.410 288 P HA 0.502 nan 4.420 nan 0.000 0.275 288 P C -1.077 176.241 177.300 0.031 0.000 1.228 288 P CA -0.363 62.753 63.100 0.025 0.000 0.786 288 P CB 1.264 32.971 31.700 0.012 0.000 0.927 289 A N 1.574 124.417 122.820 0.039 0.000 2.594 289 A HA 0.637 4.960 4.320 0.005 0.000 0.295 289 A C -1.297 176.300 177.584 0.021 0.000 1.071 289 A CA -0.556 51.498 52.037 0.028 0.000 0.685 289 A CB 1.464 20.490 19.000 0.044 0.000 1.285 289 A HN 0.511 nan 8.150 nan 0.000 0.405 290 E N 0.107 120.306 120.200 -0.002 0.000 2.317 290 E HA 0.573 4.926 4.350 0.005 0.000 0.270 290 E C -1.563 175.021 176.600 -0.026 0.000 0.885 290 E CA -0.931 55.464 56.400 -0.008 0.000 0.760 290 E CB 2.673 32.370 29.700 -0.005 0.000 1.227 290 E HN 0.325 nan 8.360 nan 0.000 0.434 291 V N 2.077 121.971 119.914 -0.033 0.000 2.378 291 V HA 0.240 4.363 4.120 0.005 0.000 0.288 291 V C 0.196 176.287 176.094 -0.005 0.000 1.016 291 V CA -0.731 61.544 62.300 -0.042 0.000 0.840 291 V CB 1.358 33.100 31.823 -0.134 0.000 0.994 291 V HN 0.844 nan 8.190 nan 0.000 0.431 292 T N 1.285 115.848 114.554 0.014 0.000 2.910 292 T HA 0.326 4.679 4.350 0.005 0.000 0.293 292 T C 0.414 175.141 174.700 0.045 0.000 1.015 292 T CA -0.299 61.816 62.100 0.025 0.000 1.094 292 T CB 0.108 68.989 68.868 0.021 0.000 0.968 292 T HN 0.781 nan 8.240 nan 0.000 0.521 293 N N 1.219 119.946 118.700 0.045 0.000 2.686 293 N HA -0.123 4.620 4.740 0.005 0.000 0.261 293 N C -2.519 173.048 175.510 0.094 0.000 1.001 293 N CA 0.152 53.238 53.050 0.060 0.000 0.764 293 N CB -0.980 37.539 38.487 0.053 0.000 0.898 293 N HN 0.650 nan 8.380 nan 0.000 0.544 294 P HA 0.058 nan 4.420 nan 0.000 0.271 294 P C -0.156 177.270 177.300 0.209 0.000 1.218 294 P CA -0.078 63.118 63.100 0.160 0.000 0.780 294 P CB 0.927 32.677 31.700 0.083 0.000 0.901 295 V N 4.489 124.605 119.914 0.336 0.000 2.368 295 V HA 0.210 4.333 4.120 0.005 0.000 0.266 295 V C 1.191 177.468 176.094 0.305 0.000 1.045 295 V CA -0.362 62.087 62.300 0.248 0.000 0.899 295 V CB -0.113 31.808 31.823 0.162 0.000 1.006 295 V HN 0.470 nan 8.190 nan 0.000 0.470 296 R N 2.968 123.603 120.500 0.224 0.000 2.539 296 R HA 0.184 4.527 4.340 0.005 0.000 0.275 296 R C -0.448 176.033 176.300 0.300 0.000 1.077 296 R CA -0.482 55.774 56.100 0.261 0.000 1.097 296 R CB 1.086 31.510 30.300 0.207 0.000 1.018 296 R HN 0.758 nan 8.270 nan 0.000 0.483 297 W N 4.431 125.818 121.300 0.145 0.000 2.303 297 W HA 0.112 4.774 4.660 0.004 0.000 0.318 297 W C -0.787 175.807 176.519 0.126 0.000 1.362 297 W CA -0.047 57.371 57.345 0.121 0.000 1.234 297 W CB 0.631 30.157 29.460 0.110 0.000 1.248 297 W HN 0.232 nan 8.180 nan 0.000 0.546 298 M N 8.986 128.392 119.600 -0.323 0.000 2.535 298 M HA 0.374 4.857 4.480 0.005 0.000 0.314 298 M C -2.122 173.712 176.300 -0.776 0.000 1.153 298 M CA -2.478 52.659 55.300 -0.272 0.000 0.924 298 M CB 1.819 34.412 32.600 -0.011 0.000 1.710 298 M HN 0.261 nan 8.290 nan 0.000 0.451 299 P HA 0.136 nan 4.420 nan 0.000 0.276 299 P C -0.609 176.484 177.300 -0.345 0.000 1.252 299 P CA -0.486 62.283 63.100 -0.551 0.000 0.802 299 P CB 0.346 31.834 31.700 -0.353 0.000 1.035 300 N N 0.105 118.632 118.700 -0.289 0.000 2.359 300 N HA 0.150 4.893 4.740 0.005 0.000 0.261 300 N C 1.422 176.842 175.510 -0.150 0.000 1.267 300 N CA 2.135 55.081 53.050 -0.174 0.000 0.864 300 N CB -0.659 37.754 38.487 -0.124 0.000 1.063 300 N HN 0.756 nan 8.380 nan 0.000 0.474 301 G N 2.534 111.311 108.800 -0.038 0.000 2.254 301 G HA2 -0.230 3.733 3.960 0.005 0.000 0.225 301 G HA3 -0.230 3.733 3.960 0.005 0.000 0.225 301 G C 0.348 175.409 174.900 0.268 0.000 1.003 301 G CA 0.147 45.283 45.100 0.059 0.000 0.622 301 G HN 0.569 nan 8.290 nan 0.000 0.507 302 W N 1.782 123.043 121.300 -0.066 0.000 3.005 302 W HA 0.593 5.258 4.660 0.008 0.000 0.374 302 W C 1.231 177.710 176.519 -0.068 0.000 1.076 302 W CA 0.333 57.646 57.345 -0.053 0.000 1.794 302 W CB 0.192 29.625 29.460 -0.045 0.000 1.113 302 W HN 1.169 nan 8.180 nan 0.000 0.584 303 G N -0.308 108.560 108.800 0.114 0.000 2.270 303 G HA2 -0.003 3.960 3.960 0.005 0.000 0.268 303 G HA3 -0.003 3.960 3.960 0.005 0.000 0.268 303 G C -0.847 174.023 174.900 -0.051 0.000 1.312 303 G CA -0.935 44.181 45.100 0.026 0.000 1.050 303 G HN -0.251 nan 8.290 nan 0.000 0.474 304 T N 3.255 117.770 114.554 -0.065 0.000 2.845 304 T HA 0.589 4.942 4.350 0.005 0.000 0.288 304 T C -2.203 172.375 174.700 -0.203 0.000 0.980 304 T CA -0.694 61.347 62.100 -0.097 0.000 1.071 304 T CB 1.997 70.837 68.868 -0.045 0.000 0.941 304 T HN 0.448 nan 8.240 nan 0.000 0.487 305 P HA 0.159 nan 4.420 nan 0.000 0.225 305 P C -0.303 176.980 177.300 -0.029 0.000 1.813 305 P CA -0.417 62.362 63.100 -0.536 0.000 1.013 305 P CB -0.762 30.679 31.700 -0.431 0.000 1.961 306 T N 2.836 117.426 114.554 0.061 0.000 2.902 306 T HA 0.170 4.523 4.350 0.005 0.000 0.301 306 T C 0.439 175.320 174.700 0.302 0.000 1.012 306 T CA 0.609 62.789 62.100 0.133 0.000 1.151 306 T CB 0.129 69.049 68.868 0.088 0.000 0.946 306 T HN 0.179 nan 8.240 nan 0.000 0.542 307 L N 3.781 125.114 121.223 0.183 0.000 2.349 307 L HA 0.458 4.801 4.340 0.005 0.000 0.278 307 L C -0.573 176.377 176.870 0.134 0.000 0.996 307 L CA -1.080 53.900 54.840 0.233 0.000 0.825 307 L CB 1.215 43.399 42.059 0.208 0.000 1.243 307 L HN 0.634 nan 8.230 nan 0.000 0.412 308 Y N 1.154 121.576 120.300 0.204 0.000 2.326 308 Y HA 0.133 4.686 4.550 0.005 0.000 0.333 308 Y C 0.410 176.471 175.900 0.269 0.000 1.240 308 Y CA -0.197 58.045 58.100 0.237 0.000 1.365 308 Y CB 0.803 39.492 38.460 0.382 0.000 1.289 308 Y HN 0.443 nan 8.280 nan 0.000 0.548 309 D N 2.672 123.277 120.400 0.343 0.000 2.373 309 D HA 0.187 4.830 4.640 0.005 0.000 0.227 309 D C -1.263 175.218 176.300 0.301 0.000 1.091 309 D CA -0.103 54.065 54.000 0.279 0.000 0.840 309 D CB 0.747 41.631 40.800 0.141 0.000 1.060 309 D HN 0.217 nan 8.370 nan 0.000 0.502 310 F N 1.192 121.230 119.950 0.146 0.000 2.388 310 F HA 0.202 4.732 4.527 0.005 0.000 0.358 310 F C 0.799 176.735 175.800 0.228 0.000 1.122 310 F CA -0.645 57.464 58.000 0.182 0.000 1.056 310 F CB 1.750 40.858 39.000 0.180 0.000 1.155 310 F HN 0.016 nan 8.300 nan 0.000 0.461 311 S N 3.272 119.120 115.700 0.246 0.000 2.498 311 S HA 0.853 5.326 4.470 0.005 0.000 0.317 311 S C -0.659 173.941 174.600 0.000 0.000 1.090 311 S CA -0.509 57.770 58.200 0.131 0.000 1.089 311 S CB 0.728 63.955 63.200 0.046 0.000 0.997 311 S HN 0.746 nan 8.310 nan 0.000 0.470 312 A N 4.516 127.217 122.820 -0.199 0.000 2.305 312 A HA 0.742 5.066 4.320 0.005 0.000 0.322 312 A C -0.421 177.021 177.584 -0.236 0.000 1.187 312 A CA -0.585 51.212 52.037 -0.400 0.000 0.825 312 A CB 0.778 19.169 19.000 -1.015 0.000 1.164 312 A HN 0.854 nan 8.150 nan 0.000 0.498 313 Q N 1.178 120.878 119.800 -0.165 0.000 2.372 313 Q HA 0.509 4.852 4.340 0.005 0.000 0.273 313 Q C -1.351 174.594 176.000 -0.092 0.000 1.078 313 Q CA -0.790 54.949 55.803 -0.107 0.000 0.806 313 Q CB 2.528 31.225 28.738 -0.068 0.000 1.332 313 Q HN 0.607 nan 8.270 nan 0.000 0.435 314 I N 1.850 122.378 120.570 -0.071 0.000 2.354 314 I HA 0.516 4.689 4.170 0.005 0.000 0.286 314 I C -0.400 175.701 176.117 -0.028 0.000 1.007 314 I CA -0.519 60.752 61.300 -0.049 0.000 1.167 314 I CB 0.831 38.805 38.000 -0.043 0.000 1.320 314 I HN 0.613 nan 8.210 nan 0.000 0.458 315 A N 6.242 129.049 122.820 -0.023 0.000 2.288 315 A HA 0.658 4.981 4.320 0.005 0.000 0.320 315 A C -0.636 176.945 177.584 -0.005 0.000 1.217 315 A CA -0.330 51.700 52.037 -0.012 0.000 0.840 315 A CB 0.740 19.732 19.000 -0.014 0.000 1.179 315 A HN 0.749 nan 8.150 nan 0.000 0.504 316 C N 2.773 122.074 119.300 0.002 0.000 2.322 316 C HA 0.773 5.236 4.460 0.005 0.000 0.324 316 C C 1.303 176.296 174.990 0.005 0.000 1.249 316 C CA 0.284 59.306 59.018 0.005 0.000 1.453 316 C CB -0.001 27.746 27.740 0.012 0.000 2.145 316 C HN 1.828 nan 8.230 nan 0.000 0.466 317 G N 4.591 113.393 108.800 0.003 0.000 2.622 317 G HA2 -0.296 3.667 3.960 0.005 0.000 0.307 317 G HA3 -0.296 3.667 3.960 0.005 0.000 0.307 317 G C 0.790 175.691 174.900 0.001 0.000 1.226 317 G CA 0.901 46.003 45.100 0.002 0.000 0.997 317 G HN 0.801 nan 8.290 nan 0.000 0.551 318 D N 1.414 121.815 120.400 0.002 0.000 2.349 318 D HA 0.005 4.648 4.640 0.005 0.000 0.215 318 D C 1.244 177.545 176.300 0.002 0.000 1.016 318 D CA 0.824 54.825 54.000 0.001 0.000 0.870 318 D CB -0.097 40.704 40.800 0.002 0.000 0.917 318 D HN 0.916 nan 8.370 nan 0.000 0.524 319 R N 0.513 121.016 120.500 0.005 0.000 2.474 319 R HA 0.457 4.800 4.340 0.005 0.000 0.295 319 R C -0.276 176.028 176.300 0.007 0.000 0.980 319 R CA -0.847 55.258 56.100 0.008 0.000 0.934 319 R CB 1.337 31.645 30.300 0.014 0.000 1.101 319 R HN -0.203 nan 8.270 nan 0.000 0.469 320 I N 5.030 125.604 120.570 0.006 0.000 2.281 320 I HA -0.006 4.167 4.170 0.005 0.000 0.293 320 I C 1.525 177.649 176.117 0.011 0.000 1.085 320 I CA -0.457 60.843 61.300 0.000 0.000 1.257 320 I CB 1.089 39.086 38.000 -0.006 0.000 1.430 320 I HN 0.728 nan 8.210 nan 0.000 0.489 321 V N 3.559 123.482 119.914 0.016 0.000 2.951 321 V HA 0.433 4.556 4.120 0.005 0.000 0.255 321 V C 0.822 176.935 176.094 0.031 0.000 1.088 321 V CA 0.611 62.937 62.300 0.042 0.000 1.109 321 V CB -0.175 31.685 31.823 0.062 0.000 0.724 321 V HN 0.675 nan 8.190 nan 0.000 0.471 322 A N -0.134 122.680 122.820 -0.010 0.000 2.488 322 A HA 0.771 5.094 4.320 0.005 0.000 0.298 322 A C -0.946 176.601 177.584 -0.061 0.000 1.044 322 A CA -0.462 51.547 52.037 -0.047 0.000 0.693 322 A CB 2.026 20.979 19.000 -0.078 0.000 1.272 322 A HN 0.274 nan 8.150 nan 0.000 0.402 323 E N 0.965 121.126 120.200 -0.066 0.000 2.356 323 E HA 0.607 4.960 4.350 0.005 0.000 0.275 323 E C -1.733 174.818 176.600 -0.082 0.000 0.904 323 E CA -0.370 55.984 56.400 -0.076 0.000 0.757 323 E CB 2.268 31.938 29.700 -0.050 0.000 1.232 323 E HN 0.690 nan 8.360 nan 0.000 0.442 324 Q N 1.248 120.989 119.800 -0.100 0.000 2.309 324 Q HA 0.495 4.838 4.340 0.005 0.000 0.273 324 Q C -1.852 174.129 176.000 -0.032 0.000 1.040 324 Q CA -0.399 55.356 55.803 -0.080 0.000 0.834 324 Q CB 2.023 30.724 28.738 -0.061 0.000 1.345 324 Q HN 0.358 nan 8.270 nan 0.000 0.414 325 S N 2.478 118.132 115.700 -0.076 0.000 2.607 325 S HA 0.719 5.192 4.470 0.005 0.000 0.303 325 S C -1.345 173.097 174.600 -0.263 0.000 1.086 325 S CA -0.686 57.508 58.200 -0.011 0.000 0.995 325 S CB 0.887 64.109 63.200 0.036 0.000 1.084 325 S HN 0.589 nan 8.310 nan 0.000 0.507 326 H N 0.949 120.096 119.070 0.129 0.000 2.806 326 H HA 0.374 4.933 4.556 0.005 0.000 0.367 326 H C -0.575 174.769 175.328 0.028 0.000 1.136 326 H CA -0.668 55.360 56.048 -0.033 0.000 1.178 326 H CB 1.311 30.931 29.762 -0.237 0.000 1.718 326 H HN 0.423 nan 8.280 nan 0.000 0.540 327 R N 2.043 122.622 120.500 0.132 0.000 2.340 327 R HA 0.337 4.680 4.340 0.005 0.000 0.300 327 R C -0.171 176.143 176.300 0.023 0.000 1.069 327 R CA -0.414 55.759 56.100 0.122 0.000 0.984 327 R CB 0.764 31.128 30.300 0.106 0.000 1.003 327 R HN 0.316 nan 8.270 nan 0.000 0.459 328 I N 1.656 122.272 120.570 0.077 0.000 2.465 328 I HA 0.312 4.485 4.170 0.005 0.000 0.291 328 I C 0.564 176.714 176.117 0.055 0.000 1.014 328 I CA -0.516 60.724 61.300 -0.100 0.000 1.093 328 I CB 1.781 39.492 38.000 -0.480 0.000 1.267 328 I HN 0.678 nan 8.210 nan 0.000 0.431 329 G N 6.534 115.269 108.800 -0.108 0.000 2.368 329 G HA2 0.625 4.588 3.960 0.005 0.000 0.320 329 G HA3 0.625 4.588 3.960 0.005 0.000 0.320 329 G C -0.667 174.228 174.900 -0.008 0.000 1.158 329 G CA -0.510 44.584 45.100 -0.010 0.000 0.912 329 G HN 0.476 nan 8.290 nan 0.000 0.456 330 L N 4.264 125.593 121.223 0.178 0.000 2.282 330 L HA 0.542 4.885 4.340 0.005 0.000 0.287 330 L C 0.404 177.378 176.870 0.175 0.000 1.075 330 L CA -0.758 54.142 54.840 0.100 0.000 0.839 330 L CB 0.094 42.204 42.059 0.085 0.000 1.219 330 L HN 0.597 nan 8.230 nan 0.000 0.434 331 R N 1.631 122.197 120.500 0.109 0.000 2.716 331 R HA 0.555 4.898 4.340 0.005 0.000 0.271 331 R C -1.042 175.317 176.300 0.098 0.000 1.028 331 R CA -0.712 55.494 56.100 0.177 0.000 0.883 331 R CB 1.240 31.744 30.300 0.339 0.000 1.250 331 R HN 0.334 nan 8.270 nan 0.000 0.465 332 T N -0.770 113.859 114.554 0.124 0.000 2.859 332 T HA 0.728 5.081 4.350 0.005 0.000 0.281 332 T C 0.356 175.126 174.700 0.117 0.000 1.005 332 T CA -0.763 61.390 62.100 0.088 0.000 1.025 332 T CB 0.920 69.832 68.868 0.073 0.000 0.977 332 T HN 0.480 nan 8.240 nan 0.000 0.458 333 I N 2.311 122.929 120.570 0.079 0.000 2.447 333 I HA 0.494 4.667 4.170 0.005 0.000 0.287 333 I C -0.067 176.065 176.117 0.026 0.000 1.023 333 I CA -0.899 60.459 61.300 0.097 0.000 1.083 333 I CB 2.133 40.201 38.000 0.112 0.000 1.245 333 I HN 0.607 nan 8.210 nan 0.000 0.434 334 R N 5.937 126.424 120.500 -0.022 0.000 2.513 334 R HA 0.639 4.982 4.340 0.005 0.000 0.301 334 R C -1.709 174.359 176.300 -0.387 0.000 0.968 334 R CA -0.520 55.485 56.100 -0.158 0.000 0.872 334 R CB 2.003 32.226 30.300 -0.128 0.000 1.177 334 R HN 0.425 nan 8.270 nan 0.000 0.444 335 V N 5.244 124.777 119.914 -0.635 0.000 2.432 335 V HA 0.250 4.373 4.120 0.005 0.000 0.275 335 V C -0.127 175.311 176.094 -1.094 0.000 1.043 335 V CA -0.564 61.004 62.300 -1.221 0.000 0.925 335 V CB 1.486 32.170 31.823 -1.897 0.000 0.985 335 V HN 0.490 nan 8.190 nan 0.000 0.466 336 V N 5.539 124.747 119.914 -1.176 0.000 2.347 336 V HA 0.419 4.542 4.120 0.005 0.000 0.280 336 V C 0.242 175.852 176.094 -0.808 0.000 1.021 336 V CA -0.418 61.319 62.300 -0.938 0.000 0.847 336 V CB 1.253 32.360 31.823 -1.194 0.000 0.990 336 V HN 0.968 nan 8.190 nan 0.000 0.444 337 N N 4.375 122.776 118.700 -0.499 0.000 2.675 337 N HA 0.328 5.071 4.740 0.005 0.000 0.254 337 N C -0.988 174.485 175.510 -0.062 0.000 1.224 337 N CA -0.281 52.615 53.050 -0.258 0.000 0.777 337 N CB 1.196 39.494 38.487 -0.315 0.000 1.256 337 N HN 0.753 nan 8.380 nan 0.000 0.531 338 E N 1.526 121.728 120.200 0.003 0.000 2.317 338 E HA 0.290 4.643 4.350 0.005 0.000 0.270 338 E C -0.862 175.791 176.600 0.088 0.000 0.885 338 E CA -0.863 55.560 56.400 0.038 0.000 0.760 338 E CB 2.489 32.202 29.700 0.021 0.000 1.227 338 E HN 0.265 nan 8.360 nan 0.000 0.434 339 K N 2.267 122.719 120.400 0.086 0.000 2.448 339 K HA 0.066 4.389 4.320 0.005 0.000 0.278 339 K C -0.376 176.277 176.600 0.088 0.000 1.009 339 K CA 0.486 56.830 56.287 0.095 0.000 0.995 339 K CB 0.198 32.748 32.500 0.083 0.000 0.917 339 K HN 0.505 nan 8.250 nan 0.000 0.481 340 D N 0.289 120.746 120.400 0.094 0.000 2.812 340 D HA 0.040 4.683 4.640 0.005 0.000 0.318 340 D C 0.270 176.625 176.300 0.092 0.000 1.234 340 D CA -0.885 53.169 54.000 0.090 0.000 0.989 340 D CB 0.235 41.093 40.800 0.097 0.000 1.442 340 D HN 0.361 nan 8.370 nan 0.000 0.537 341 K N -0.916 119.540 120.400 0.093 0.000 2.283 341 K HA -0.037 4.286 4.320 0.005 0.000 0.202 341 K C 0.152 176.824 176.600 0.120 0.000 1.048 341 K CA 1.091 57.436 56.287 0.097 0.000 0.948 341 K CB -0.142 32.414 32.500 0.092 0.000 0.742 341 K HN 0.206 nan 8.250 nan 0.000 0.458 342 D N 0.221 120.703 120.400 0.137 0.000 2.350 342 D HA 0.111 4.754 4.640 0.005 0.000 0.213 342 D C 1.058 177.450 176.300 0.154 0.000 1.031 342 D CA 0.971 55.084 54.000 0.188 0.000 0.861 342 D CB 1.223 42.166 40.800 0.238 0.000 0.926 342 D HN 0.514 nan 8.370 nan 0.000 0.520 343 G N 0.766 109.637 108.800 0.119 0.000 1.812 343 G HA2 -0.102 3.861 3.960 0.005 0.000 0.053 343 G HA3 -0.102 3.861 3.960 0.005 0.000 0.053 343 G C -1.141 173.833 174.900 0.124 0.000 0.844 343 G CA -0.708 44.463 45.100 0.119 0.000 1.151 343 G HN 0.156 nan 8.290 nan 0.000 0.362 344 E N 0.914 121.197 120.200 0.139 0.000 2.263 344 E HA 0.532 4.885 4.350 0.005 0.000 0.268 344 E C -0.270 176.443 176.600 0.188 0.000 0.884 344 E CA -0.234 56.275 56.400 0.180 0.000 0.766 344 E CB 2.152 32.014 29.700 0.271 0.000 1.196 344 E HN 0.699 nan 8.360 nan 0.000 0.416 345 S N 1.968 117.775 115.700 0.178 0.000 2.600 345 S HA 0.468 4.941 4.470 0.005 0.000 0.265 345 S C -0.314 174.464 174.600 0.296 0.000 1.325 345 S CA -0.474 57.859 58.200 0.221 0.000 1.002 345 S CB 0.651 64.016 63.200 0.275 0.000 0.921 345 S HN 0.515 nan 8.310 nan 0.000 0.554 346 F N 2.652 122.696 119.950 0.157 0.000 3.051 346 F HA 0.515 5.045 4.527 0.006 0.000 0.363 346 F C -1.233 174.646 175.800 0.130 0.000 1.257 346 F CA -0.651 57.355 58.000 0.010 0.000 1.126 346 F CB 0.820 39.850 39.000 0.050 0.000 1.476 346 F HN 0.845 nan 8.300 nan 0.000 0.576 347 Y N 2.399 122.472 120.300 -0.377 0.000 2.725 347 Y HA 0.751 5.303 4.550 0.004 0.000 0.333 347 Y C -2.204 173.427 175.900 -0.448 0.000 1.242 347 Y CA -2.192 55.836 58.100 -0.120 0.000 1.059 347 Y CB 1.121 39.638 38.460 0.095 0.000 1.306 347 Y HN 0.223 nan 8.280 nan 0.000 0.454 348 F N 1.154 121.143 119.950 0.066 0.000 2.469 348 F HA 0.505 5.035 4.527 0.005 0.000 0.332 348 F C -0.119 175.762 175.800 0.136 0.000 1.103 348 F CA -0.586 57.382 58.000 -0.054 0.000 0.979 348 F CB 2.062 41.069 39.000 0.012 0.000 1.137 348 F HN 0.539 nan 8.300 nan 0.000 0.463 349 E N 2.306 122.610 120.200 0.173 0.000 2.145 349 E HA 0.576 4.929 4.350 0.005 0.000 0.270 349 E C -1.562 175.188 176.600 0.249 0.000 0.906 349 E CA -0.571 55.980 56.400 0.251 0.000 0.761 349 E CB 1.655 31.437 29.700 0.137 0.000 1.116 349 E HN 0.378 nan 8.360 nan 0.000 0.408 350 V N 5.284 125.407 119.914 0.349 0.000 2.409 350 V HA 0.212 4.335 4.120 0.005 0.000 0.291 350 V C 0.041 176.354 176.094 0.366 0.000 1.020 350 V CA -0.935 61.576 62.300 0.352 0.000 0.848 350 V CB 1.514 33.550 31.823 0.356 0.000 0.990 350 V HN 0.853 nan 8.190 nan 0.000 0.430 351 N N 3.931 122.789 118.700 0.263 0.000 2.721 351 N HA -0.226 4.517 4.740 0.005 0.000 0.249 351 N C 1.183 176.785 175.510 0.154 0.000 1.072 351 N CA 1.523 54.693 53.050 0.201 0.000 0.710 351 N CB -1.002 37.615 38.487 0.216 0.000 0.993 351 N HN 1.557 nan 8.380 nan 0.000 0.547 352 G N -1.279 107.614 108.800 0.154 0.000 2.179 352 G HA2 -0.308 3.655 3.960 0.005 0.000 0.260 352 G HA3 -0.308 3.655 3.960 0.005 0.000 0.260 352 G C 0.035 175.021 174.900 0.144 0.000 0.977 352 G CA 0.444 45.618 45.100 0.122 0.000 0.641 352 G HN 0.503 nan 8.290 nan 0.000 0.533 353 I N 1.359 122.052 120.570 0.206 0.000 2.389 353 I HA 0.356 4.529 4.170 0.005 0.000 0.288 353 I C -2.363 174.001 176.117 0.411 0.000 0.999 353 I CA -2.682 58.748 61.300 0.215 0.000 1.129 353 I CB 2.213 40.225 38.000 0.021 0.000 1.288 353 I HN -0.210 nan 8.210 nan 0.000 0.444 354 P HA 0.061 nan 4.420 nan 0.000 0.263 354 P C -0.698 176.917 177.300 0.525 0.000 1.195 354 P CA 0.119 63.471 63.100 0.421 0.000 0.762 354 P CB 0.432 32.254 31.700 0.204 0.000 0.799 355 M N 5.651 125.530 119.600 0.465 0.000 2.078 355 M HA 0.356 4.839 4.480 0.005 0.000 0.320 355 M C -1.002 175.425 176.300 0.212 0.000 0.969 355 M CA -1.143 54.306 55.300 0.247 0.000 0.929 355 M CB 0.434 32.930 32.600 -0.174 0.000 1.504 355 M HN 0.151 nan 8.290 nan 0.000 0.419 356 F N 4.421 124.420 119.950 0.082 0.000 2.541 356 F HA 0.419 4.948 4.527 0.004 0.000 0.378 356 F C 0.168 175.912 175.800 -0.092 0.000 1.068 356 F CA -0.187 57.834 58.000 0.034 0.000 1.199 356 F CB 0.546 39.555 39.000 0.016 0.000 1.091 356 F HN 0.670 nan 8.300 nan 0.000 0.555 357 A N 7.095 129.690 122.820 -0.376 0.000 2.409 357 A HA 0.445 4.768 4.320 0.005 0.000 0.262 357 A C -0.574 176.793 177.584 -0.362 0.000 1.113 357 A CA -0.547 51.314 52.037 -0.294 0.000 0.790 357 A CB 0.281 19.220 19.000 -0.100 0.000 1.046 357 A HN 0.822 nan 8.150 nan 0.000 0.496 358 K N 2.004 122.161 120.400 -0.405 0.000 2.545 358 K HA 0.611 4.934 4.320 0.005 0.000 0.252 358 K C 0.131 176.329 176.600 -0.670 0.000 0.948 358 K CA -0.079 55.706 56.287 -0.838 0.000 0.827 358 K CB 2.143 33.791 32.500 -1.419 0.000 1.128 358 K HN 1.032 nan 8.250 nan 0.000 0.429 359 G N 1.109 109.710 108.800 -0.331 0.000 2.512 359 G HA2 0.704 4.667 3.960 0.005 0.000 0.186 359 G HA3 0.704 4.667 3.960 0.005 0.000 0.186 359 G C -1.764 173.000 174.900 -0.227 0.000 1.189 359 G CA -0.066 44.944 45.100 -0.150 0.000 0.994 359 G HN 0.653 nan 8.290 nan 0.000 0.506 360 A N -0.987 121.583 122.820 -0.416 0.000 2.599 360 A HA 0.740 5.063 4.320 0.005 0.000 0.290 360 A C -1.328 175.958 177.584 -0.497 0.000 1.101 360 A CA -0.696 50.892 52.037 -0.747 0.000 0.674 360 A CB 0.968 19.200 19.000 -1.281 0.000 1.277 360 A HN 0.558 nan 8.150 nan 0.000 0.419 361 N N 0.712 119.073 118.700 -0.566 0.000 2.472 361 N HA 0.331 5.074 4.740 0.005 0.000 0.277 361 N C -1.464 173.694 175.510 -0.587 0.000 1.081 361 N CA 0.296 53.053 53.050 -0.488 0.000 0.973 361 N CB 1.293 39.470 38.487 -0.518 0.000 1.105 361 N HN 0.640 nan 8.380 nan 0.000 0.470 362 Y N 3.607 123.619 120.300 -0.480 0.000 2.342 362 Y HA 0.481 5.034 4.550 0.005 0.000 0.334 362 Y C -0.067 175.554 175.900 -0.464 0.000 1.067 362 Y CA -0.864 56.959 58.100 -0.462 0.000 1.128 362 Y CB 0.625 38.938 38.460 -0.243 0.000 1.200 362 Y HN 0.440 nan 8.280 nan 0.000 0.464 363 I N 3.451 123.234 120.570 -1.311 0.000 3.023 363 I HA 0.731 4.904 4.170 0.005 0.000 0.312 363 I C -2.753 172.525 176.117 -1.399 0.000 1.056 363 I CA -3.277 57.315 61.300 -1.180 0.000 1.033 363 I CB 1.648 38.724 38.000 -1.541 0.000 1.233 363 I HN 0.392 nan 8.210 nan 0.000 0.462 364 P HA 0.019 nan 4.420 nan 0.000 0.265 364 P C -0.523 176.456 177.300 -0.535 0.000 1.187 364 P CA 0.269 62.968 63.100 -0.669 0.000 0.766 364 P CB 0.369 31.555 31.700 -0.856 0.000 0.820 365 Q N 0.604 120.233 119.800 -0.285 0.000 2.444 365 Q HA 0.034 4.377 4.340 0.005 0.000 0.206 365 Q C 0.213 176.239 176.000 0.043 0.000 0.948 365 Q CA 0.814 56.513 55.803 -0.173 0.000 0.946 365 Q CB 0.262 28.899 28.738 -0.169 0.000 1.027 365 Q HN 0.516 nan 8.270 nan 0.000 0.513 366 D N -2.511 117.956 120.400 0.112 0.000 2.663 366 D HA 0.202 4.845 4.640 0.005 0.000 0.233 366 D C -0.406 176.084 176.300 0.318 0.000 1.240 366 D CA -0.013 54.158 54.000 0.284 0.000 0.774 366 D CB 1.406 42.395 40.800 0.315 0.000 1.443 366 D HN -0.071 nan 8.370 nan 0.000 0.441 367 A N 2.132 125.144 122.820 0.321 0.000 2.024 367 A HA 0.010 4.333 4.320 0.005 0.000 0.220 367 A C 1.021 178.670 177.584 0.107 0.000 1.164 367 A CA 1.033 53.205 52.037 0.225 0.000 0.643 367 A CB -0.154 18.937 19.000 0.151 0.000 0.806 367 A HN 0.457 nan 8.150 nan 0.000 0.451 368 L N 0.321 121.633 121.223 0.148 0.000 2.324 368 L HA 0.303 4.646 4.340 0.005 0.000 0.274 368 L C 0.645 177.604 176.870 0.148 0.000 1.012 368 L CA -0.513 54.366 54.840 0.066 0.000 0.859 368 L CB 1.366 43.429 42.059 0.007 0.000 1.224 368 L HN 0.212 nan 8.230 nan 0.000 0.429 369 L N 3.259 124.588 121.223 0.177 0.000 2.043 369 L HA -0.153 4.190 4.340 0.005 0.000 0.212 369 L C -0.459 176.586 176.870 0.292 0.000 1.075 369 L CA 1.628 56.637 54.840 0.282 0.000 0.752 369 L CB -1.082 41.207 42.059 0.382 0.000 0.891 369 L HN 0.528 nan 8.230 nan 0.000 0.432 370 P HA -0.059 nan 4.420 nan 0.000 0.230 370 P C 0.716 178.107 177.300 0.150 0.000 1.158 370 P CA 0.869 64.083 63.100 0.190 0.000 0.769 370 P CB -0.045 31.725 31.700 0.117 0.000 0.807 371 N N -0.956 117.832 118.700 0.146 0.000 2.457 371 N HA -0.026 4.717 4.740 0.005 0.000 0.180 371 N C 0.058 175.658 175.510 0.149 0.000 1.050 371 N CA 0.402 53.532 53.050 0.134 0.000 0.906 371 N CB -0.457 38.114 38.487 0.139 0.000 0.968 371 N HN 0.020 nan 8.380 nan 0.000 0.445 372 V N 2.185 122.204 119.914 0.175 0.000 2.439 372 V HA 0.083 4.206 4.120 0.005 0.000 0.271 372 V C 0.911 177.139 176.094 0.222 0.000 1.040 372 V CA -0.393 61.992 62.300 0.143 0.000 1.002 372 V CB 0.145 32.011 31.823 0.072 0.000 1.000 372 V HN 0.240 nan 8.190 nan 0.000 0.477 373 T N 1.120 115.775 114.554 0.169 0.000 2.874 373 T HA 0.182 4.535 4.350 0.005 0.000 0.281 373 T C 1.306 176.182 174.700 0.294 0.000 0.994 373 T CA -0.051 62.166 62.100 0.194 0.000 1.015 373 T CB 1.303 70.245 68.868 0.123 0.000 1.028 373 T HN 0.558 nan 8.240 nan 0.000 0.523 374 T N 0.405 115.100 114.554 0.234 0.000 2.720 374 T HA -0.139 4.214 4.350 0.005 0.000 0.268 374 T C 1.709 176.531 174.700 0.204 0.000 1.037 374 T CA 1.861 64.090 62.100 0.216 0.000 1.144 374 T CB -0.449 68.482 68.868 0.105 0.000 0.864 374 T HN 0.866 nan 8.240 nan 0.000 0.444 375 E N 0.768 121.054 120.200 0.143 0.000 2.085 375 E HA -0.187 4.166 4.350 0.005 0.000 0.194 375 E C 2.384 179.050 176.600 0.110 0.000 0.994 375 E CA 0.991 57.456 56.400 0.109 0.000 0.801 375 E CB 0.012 29.759 29.700 0.078 0.000 0.743 375 E HN 0.410 nan 8.360 nan 0.000 0.453 376 R N -0.804 119.756 120.500 0.102 0.000 2.073 376 R HA -0.160 4.183 4.340 0.005 0.000 0.234 376 R C 2.287 178.612 176.300 0.042 0.000 1.134 376 R CA 1.826 57.943 56.100 0.028 0.000 0.952 376 R CB -0.424 29.853 30.300 -0.038 0.000 0.850 376 R HN 0.297 nan 8.270 nan 0.000 0.433 377 Y N 1.104 121.465 120.300 0.101 0.000 2.145 377 Y HA -0.253 4.299 4.550 0.005 0.000 0.286 377 Y C 2.587 178.577 175.900 0.151 0.000 1.145 377 Y CA 1.608 59.794 58.100 0.143 0.000 1.148 377 Y CB -0.242 38.298 38.460 0.132 0.000 0.981 377 Y HN 0.126 nan 8.280 nan 0.000 0.507 378 Q N -0.841 119.114 119.800 0.258 0.000 2.096 378 Q HA -0.191 4.152 4.340 0.005 0.000 0.204 378 Q C 2.175 178.266 176.000 0.152 0.000 0.982 378 Q CA 2.230 58.133 55.803 0.167 0.000 0.850 378 Q CB -0.417 28.384 28.738 0.106 0.000 0.901 378 Q HN 0.417 nan 8.270 nan 0.000 0.422 379 T N 1.198 115.820 114.554 0.112 0.000 2.777 379 T HA -0.125 4.228 4.350 0.005 0.000 0.266 379 T C 1.707 176.441 174.700 0.058 0.000 1.040 379 T CA 0.833 62.983 62.100 0.082 0.000 1.141 379 T CB -0.231 68.671 68.868 0.057 0.000 0.868 379 T HN 0.093 nan 8.240 nan 0.000 0.444 380 L N 0.383 121.614 121.223 0.015 0.000 2.083 380 L HA 0.052 4.395 4.340 0.005 0.000 0.209 380 L C 1.882 178.627 176.870 -0.208 0.000 1.083 380 L CA 1.631 56.401 54.840 -0.117 0.000 0.752 380 L CB -0.795 41.168 42.059 -0.160 0.000 0.899 380 L HN 0.195 nan 8.230 nan 0.000 0.433 381 F N -0.532 119.353 119.950 -0.109 0.000 2.234 381 F HA -0.126 4.404 4.527 0.005 0.000 0.299 381 F C 2.711 178.481 175.800 -0.050 0.000 1.087 381 F CA 1.462 59.382 58.000 -0.133 0.000 1.340 381 F CB -0.367 38.525 39.000 -0.181 0.000 1.031 381 F HN 0.056 nan 8.300 nan 0.000 0.500 382 R N 0.627 121.213 120.500 0.143 0.000 2.081 382 R HA -0.171 4.172 4.340 0.005 0.000 0.235 382 R C 1.709 178.105 176.300 0.160 0.000 1.131 382 R CA 2.029 58.211 56.100 0.136 0.000 0.960 382 R CB -0.393 29.984 30.300 0.129 0.000 0.856 382 R HN 0.150 nan 8.270 nan 0.000 0.436 383 D N 0.298 120.770 120.400 0.120 0.000 2.144 383 D HA -0.197 4.446 4.640 0.005 0.000 0.199 383 D C 1.957 178.293 176.300 0.060 0.000 0.984 383 D CA 1.499 55.553 54.000 0.090 0.000 0.834 383 D CB -0.143 40.516 40.800 -0.236 0.000 0.955 383 D HN 0.368 nan 8.370 nan 0.000 0.465 384 M N 0.208 119.773 119.600 -0.058 0.000 2.123 384 M HA -0.114 4.369 4.480 0.005 0.000 0.263 384 M C 2.271 178.573 176.300 0.004 0.000 1.069 384 M CA 1.112 56.365 55.300 -0.077 0.000 1.133 384 M CB -0.161 32.283 32.600 -0.261 0.000 1.356 384 M HN -0.120 nan 8.290 nan 0.000 0.415 385 K N 0.818 121.243 120.400 0.041 0.000 2.057 385 K HA -0.182 4.141 4.320 0.005 0.000 0.207 385 K C 1.590 178.246 176.600 0.094 0.000 1.049 385 K CA 1.569 57.892 56.287 0.061 0.000 0.931 385 K CB 0.008 32.555 32.500 0.079 0.000 0.714 385 K HN 0.352 nan 8.250 nan 0.000 0.440 386 E N -0.459 119.836 120.200 0.158 0.000 2.274 386 E HA -0.094 4.259 4.350 0.005 0.000 0.194 386 E C 1.210 177.943 176.600 0.223 0.000 0.996 386 E CA 0.640 57.176 56.400 0.226 0.000 0.840 386 E CB 0.110 30.025 29.700 0.358 0.000 0.772 386 E HN 0.377 nan 8.360 nan 0.000 0.491 387 A N 1.220 124.117 122.820 0.129 0.000 2.327 387 A HA 0.003 4.326 4.320 0.005 0.000 0.228 387 A C 0.200 177.859 177.584 0.125 0.000 1.275 387 A CA -0.117 51.925 52.037 0.009 0.000 0.875 387 A CB -0.152 18.640 19.000 -0.346 0.000 0.925 387 A HN 0.211 nan 8.150 nan 0.000 0.493 388 N N -1.396 117.370 118.700 0.109 0.000 2.782 388 N HA -0.156 4.587 4.740 0.005 0.000 0.251 388 N C -0.187 175.327 175.510 0.007 0.000 1.101 388 N CA 1.278 54.380 53.050 0.087 0.000 0.764 388 N CB -1.703 36.867 38.487 0.139 0.000 1.122 388 N HN 0.635 nan 8.380 nan 0.000 0.561 389 M N 0.838 120.436 119.600 -0.003 0.000 2.243 389 M HA 0.082 4.565 4.480 0.005 0.000 0.341 389 M C 1.394 177.589 176.300 -0.176 0.000 1.130 389 M CA 0.327 55.546 55.300 -0.135 0.000 1.162 389 M CB 0.371 32.921 32.600 -0.084 0.000 1.497 389 M HN 0.147 nan 8.290 nan 0.000 0.456 390 N N 1.537 120.087 118.700 -0.251 0.000 2.170 390 N HA 0.288 5.031 4.740 0.005 0.000 0.222 390 N C -0.621 174.780 175.510 -0.182 0.000 1.218 390 N CA -0.208 52.707 53.050 -0.225 0.000 0.889 390 N CB 0.734 39.026 38.487 -0.325 0.000 1.083 390 N HN 0.698 nan 8.380 nan 0.000 0.520 391 M N 0.163 119.655 119.600 -0.179 0.000 2.465 391 M HA 0.519 5.002 4.480 0.005 0.000 0.284 391 M C -2.161 174.068 176.300 -0.119 0.000 1.212 391 M CA -0.909 54.310 55.300 -0.135 0.000 0.910 391 M CB 2.514 35.014 32.600 -0.167 0.000 1.725 391 M HN -0.177 nan 8.290 nan 0.000 0.477 392 V N 3.656 123.535 119.914 -0.058 0.000 2.760 392 V HA 0.648 4.771 4.120 0.005 0.000 0.309 392 V C -1.535 174.563 176.094 0.006 0.000 1.077 392 V CA -0.597 61.659 62.300 -0.072 0.000 0.910 392 V CB 2.317 34.086 31.823 -0.090 0.000 1.008 392 V HN 0.972 nan 8.190 nan 0.000 0.424 393 R N 6.162 126.618 120.500 -0.073 0.000 2.229 393 R HA 0.562 4.905 4.340 0.005 0.000 0.328 393 R C -0.775 175.539 176.300 0.025 0.000 1.009 393 R CA -0.539 55.509 56.100 -0.087 0.000 0.864 393 R CB 0.936 30.978 30.300 -0.431 0.000 1.085 393 R HN 0.777 nan 8.270 nan 0.000 0.453 394 I N 6.048 126.668 120.570 0.084 0.000 2.278 394 I HA 0.083 4.256 4.170 0.005 0.000 0.296 394 I C -0.047 176.159 176.117 0.147 0.000 1.121 394 I CA -0.439 60.910 61.300 0.082 0.000 1.267 394 I CB 0.079 38.023 38.000 -0.094 0.000 1.447 394 I HN 0.615 nan 8.210 nan 0.000 0.509 395 W N 5.935 127.209 121.300 -0.043 0.000 2.170 395 W HA 0.330 4.993 4.660 0.005 0.000 0.336 395 W C 1.300 177.799 176.519 -0.033 0.000 1.283 395 W CA -0.403 56.947 57.345 0.010 0.000 1.224 395 W CB 1.000 30.523 29.460 0.105 0.000 1.132 395 W HN 0.526 nan 8.180 nan 0.000 0.571 396 G N 2.435 110.809 108.800 -0.711 0.000 2.848 396 G HA2 0.048 4.011 3.960 0.005 0.000 0.208 396 G HA3 0.048 4.011 3.960 0.005 0.000 0.208 396 G C 0.946 175.275 174.900 -0.951 0.000 1.152 396 G CA 0.347 45.047 45.100 -0.668 0.000 0.789 396 G HN 0.837 nan 8.290 nan 0.000 0.531 397 G N -0.401 107.307 108.800 -1.820 0.000 3.284 397 G HA2 0.445 4.408 3.960 0.005 0.000 0.236 397 G HA3 0.445 4.408 3.960 0.005 0.000 0.236 397 G C 0.787 175.414 174.900 -0.455 0.000 1.158 397 G CA 0.584 44.876 45.100 -1.345 0.000 0.774 397 G HN 0.504 nan 8.290 nan 0.000 0.545 398 G N 0.137 108.754 108.800 -0.306 0.000 3.365 398 G HA2 0.528 4.491 3.960 0.005 0.000 0.185 398 G HA3 0.528 4.491 3.960 0.005 0.000 0.185 398 G C 0.116 174.988 174.900 -0.047 0.000 1.565 398 G CA 0.543 45.577 45.100 -0.110 0.000 0.984 398 G HN 0.565 nan 8.290 nan 0.000 0.604 399 T N -2.917 111.612 114.554 -0.041 0.000 2.916 399 T HA 0.570 4.923 4.350 0.005 0.000 0.292 399 T C -1.099 173.529 174.700 -0.120 0.000 1.064 399 T CA -0.728 61.397 62.100 0.042 0.000 1.011 399 T CB 1.471 70.572 68.868 0.387 0.000 1.152 399 T HN 0.296 nan 8.240 nan 0.000 0.510 400 Y N 1.342 121.684 120.300 0.070 0.000 2.569 400 Y HA 0.315 4.868 4.550 0.005 0.000 0.332 400 Y C 1.413 177.484 175.900 0.284 0.000 1.120 400 Y CA -0.469 57.713 58.100 0.136 0.000 1.416 400 Y CB 0.253 38.786 38.460 0.121 0.000 1.210 400 Y HN 0.527 nan 8.280 nan 0.000 0.528 401 E N 2.470 122.895 120.200 0.376 0.000 2.397 401 E HA 0.006 4.359 4.350 0.005 0.000 0.254 401 E C -0.086 176.764 176.600 0.417 0.000 1.231 401 E CA -0.359 56.191 56.400 0.250 0.000 0.954 401 E CB 0.430 29.869 29.700 -0.435 0.000 1.024 401 E HN 0.757 nan 8.360 nan 0.000 0.481 402 N N 0.892 119.759 118.700 0.278 0.000 2.326 402 N HA -0.044 4.699 4.740 0.005 0.000 0.239 402 N C 0.513 176.146 175.510 0.205 0.000 1.301 402 N CA -0.119 53.031 53.050 0.167 0.000 0.909 402 N CB 0.238 38.732 38.487 0.011 0.000 1.156 402 N HN 0.213 nan 8.380 nan 0.000 0.462 403 N N -0.304 118.470 118.700 0.124 0.000 2.149 403 N HA -0.135 4.608 4.740 0.005 0.000 0.188 403 N C 1.418 176.977 175.510 0.082 0.000 1.019 403 N CA 0.634 53.781 53.050 0.160 0.000 0.857 403 N CB -0.508 38.044 38.487 0.109 0.000 0.997 403 N HN 0.580 nan 8.380 nan 0.000 0.426 404 L N 0.388 121.565 121.223 -0.077 0.000 2.042 404 L HA -0.087 4.256 4.340 0.005 0.000 0.210 404 L C 2.050 178.759 176.870 -0.270 0.000 1.076 404 L CA 1.355 56.071 54.840 -0.206 0.000 0.749 404 L CB -0.963 40.871 42.059 -0.375 0.000 0.893 404 L HN 0.067 nan 8.230 nan 0.000 0.432 405 F N -0.741 118.954 119.950 -0.424 0.000 2.065 405 F HA -0.339 4.191 4.527 0.005 0.000 0.298 405 F C 2.087 177.535 175.800 -0.588 0.000 1.112 405 F CA 2.048 59.811 58.000 -0.396 0.000 1.212 405 F CB -0.421 38.353 39.000 -0.376 0.000 0.975 405 F HN 0.173 nan 8.300 nan 0.000 0.476 406 Y N 0.356 120.612 120.300 -0.073 0.000 2.242 406 Y HA -0.200 4.353 4.550 0.005 0.000 0.291 406 Y C 2.358 177.992 175.900 -0.444 0.000 1.137 406 Y CA 1.201 59.058 58.100 -0.405 0.000 1.181 406 Y CB -0.887 36.971 38.460 -1.004 0.000 0.989 406 Y HN 0.065 nan 8.280 nan 0.000 0.527 407 D N 0.254 120.563 120.400 -0.153 0.000 2.123 407 D HA -0.166 4.477 4.640 0.005 0.000 0.196 407 D C 2.170 178.327 176.300 -0.237 0.000 0.992 407 D CA 1.280 55.247 54.000 -0.053 0.000 0.833 407 D CB -0.422 40.367 40.800 -0.018 0.000 0.954 407 D HN 0.314 nan 8.370 nan 0.000 0.455 408 L N 0.581 121.475 121.223 -0.548 0.000 2.093 408 L HA -0.103 4.240 4.340 0.005 0.000 0.208 408 L C 2.543 178.858 176.870 -0.925 0.000 1.085 408 L CA 0.975 55.310 54.840 -0.842 0.000 0.755 408 L CB -0.366 40.877 42.059 -1.360 0.000 0.904 408 L HN -0.035 nan 8.230 nan 0.000 0.435 409 A N -0.036 122.183 122.820 -1.003 0.000 1.933 409 A HA -0.234 4.089 4.320 0.005 0.000 0.218 409 A C 1.894 179.498 177.584 0.032 0.000 1.175 409 A CA 1.961 53.806 52.037 -0.321 0.000 0.628 409 A CB -0.499 18.438 19.000 -0.106 0.000 0.814 409 A HN 0.355 nan 8.150 nan 0.000 0.444 410 D N 0.039 120.459 120.400 0.034 0.000 2.092 410 D HA -0.187 4.456 4.640 0.005 0.000 0.193 410 D C 1.936 178.454 176.300 0.364 0.000 0.994 410 D CA 1.756 55.908 54.000 0.254 0.000 0.828 410 D CB -0.491 40.409 40.800 0.167 0.000 0.963 410 D HN 0.882 nan 8.370 nan 0.000 0.450 411 E N -0.167 120.102 120.200 0.116 0.000 2.502 411 E HA -0.012 4.341 4.350 0.005 0.000 0.194 411 E C 0.926 177.545 176.600 0.031 0.000 1.062 411 E CA 0.385 56.836 56.400 0.085 0.000 0.867 411 E CB -0.040 29.674 29.700 0.023 0.000 0.888 411 E HN 0.137 nan 8.360 nan 0.000 0.510 412 N N 0.574 119.289 118.700 0.025 0.000 2.205 412 N HA 0.069 4.812 4.740 0.005 0.000 0.201 412 N C 0.539 176.047 175.510 -0.004 0.000 1.128 412 N CA 0.679 53.742 53.050 0.023 0.000 0.867 412 N CB 1.408 39.944 38.487 0.081 0.000 0.996 412 N HN 0.359 nan 8.380 nan 0.000 0.503 413 G N 1.679 110.484 108.800 0.009 0.000 2.225 413 G HA2 -0.213 3.750 3.960 0.005 0.000 0.264 413 G HA3 -0.213 3.750 3.960 0.005 0.000 0.264 413 G C -0.258 174.626 174.900 -0.027 0.000 1.060 413 G CA -0.203 44.752 45.100 -0.242 0.000 0.833 413 G HN 0.199 nan 8.290 nan 0.000 0.498 414 I N 0.641 121.322 120.570 0.185 0.000 2.328 414 I HA 0.394 4.567 4.170 0.005 0.000 0.287 414 I C 0.761 177.006 176.117 0.214 0.000 1.012 414 I CA -1.469 59.914 61.300 0.139 0.000 1.195 414 I CB 0.941 39.032 38.000 0.152 0.000 1.350 414 I HN -0.077 nan 8.210 nan 0.000 0.464 415 L N 6.766 128.078 121.223 0.148 0.000 2.483 415 L HA 0.116 4.459 4.340 0.005 0.000 0.276 415 L C 0.269 177.180 176.870 0.068 0.000 1.213 415 L CA 0.469 55.370 54.840 0.101 0.000 0.843 415 L CB 0.501 42.535 42.059 -0.043 0.000 1.107 415 L HN 0.254 nan 8.230 nan 0.000 0.487 416 V N 2.308 122.272 119.914 0.084 0.000 2.409 416 V HA 0.239 4.362 4.120 0.005 0.000 0.291 416 V C -0.756 175.428 176.094 0.149 0.000 1.020 416 V CA -0.734 61.643 62.300 0.129 0.000 0.848 416 V CB 1.529 33.456 31.823 0.173 0.000 0.990 416 V HN 0.714 nan 8.190 nan 0.000 0.430 417 W N 5.928 127.219 121.300 -0.015 0.000 2.332 417 W HA 0.528 5.191 4.660 0.005 0.000 0.306 417 W C -0.415 176.089 176.519 -0.024 0.000 1.149 417 W CA -1.050 56.311 57.345 0.027 0.000 1.271 417 W CB 1.307 30.835 29.460 0.114 0.000 1.243 417 W HN 0.633 nan 8.180 nan 0.000 0.459 418 Q N 4.888 124.783 119.800 0.159 0.000 2.400 418 Q HA 0.206 4.549 4.340 0.005 0.000 0.255 418 Q C -0.818 175.264 176.000 0.136 0.000 1.008 418 Q CA -0.134 55.669 55.803 -0.001 0.000 0.841 418 Q CB 0.474 28.883 28.738 -0.550 0.000 1.220 418 Q HN 0.282 nan 8.270 nan 0.000 0.474 419 D N 3.004 123.560 120.400 0.260 0.000 2.372 419 D HA 0.122 4.765 4.640 0.005 0.000 0.243 419 D C -0.298 176.066 176.300 0.107 0.000 1.121 419 D CA 0.168 54.319 54.000 0.250 0.000 0.898 419 D CB 0.405 41.304 40.800 0.164 0.000 1.202 419 D HN 0.408 nan 8.370 nan 0.000 0.428 420 F N 0.638 120.820 119.950 0.387 0.000 2.440 420 F HA 0.092 4.622 4.527 0.005 0.000 0.323 420 F C 1.526 177.278 175.800 -0.080 0.000 1.192 420 F CA -0.295 57.913 58.000 0.347 0.000 1.252 420 F CB 0.377 39.753 39.000 0.626 0.000 1.214 420 F HN 0.054 nan 8.300 nan 0.000 0.578 421 M N 3.273 122.648 119.600 -0.375 0.000 3.690 421 M HA 0.199 4.682 4.480 0.005 0.000 0.209 421 M C -1.521 174.200 176.300 -0.965 0.000 1.403 421 M CA 0.297 55.109 55.300 -0.814 0.000 1.621 421 M CB -1.639 30.199 32.600 -1.270 0.000 1.056 421 M HN 0.279 nan 8.290 nan 0.000 0.593 422 F N 0.506 120.386 119.950 -0.116 0.000 2.539 422 F HA 0.722 5.252 4.527 0.005 0.000 0.318 422 F C -0.140 175.691 175.800 0.051 0.000 1.135 422 F CA -0.974 56.967 58.000 -0.098 0.000 0.915 422 F CB 1.846 40.815 39.000 -0.050 0.000 1.176 422 F HN 0.310 nan 8.300 nan 0.000 0.440 423 A N 1.420 124.512 122.820 0.453 0.000 2.465 423 A HA 0.617 4.940 4.320 0.005 0.000 0.292 423 A C 0.042 177.938 177.584 0.520 0.000 1.041 423 A CA -0.600 51.630 52.037 0.322 0.000 0.718 423 A CB 0.742 19.691 19.000 -0.084 0.000 1.266 423 A HN 1.082 nan 8.150 nan 0.000 0.403 424 C N -0.015 119.503 119.300 0.364 0.000 5.824 424 C HA -0.136 4.328 4.460 0.005 0.000 0.298 424 C C 1.035 176.070 174.990 0.074 0.000 2.179 424 C CA 1.537 60.707 59.018 0.255 0.000 1.933 424 C CB -1.950 26.012 27.740 0.369 0.000 2.949 424 C HN 1.528 nan 8.230 nan 0.000 0.415 425 T N 1.704 116.321 114.554 0.105 0.000 2.887 425 T HA 0.618 4.971 4.350 0.005 0.000 0.288 425 T C -2.746 171.980 174.700 0.044 0.000 1.021 425 T CA -1.320 60.767 62.100 -0.021 0.000 1.000 425 T CB 2.105 70.845 68.868 -0.213 0.000 1.034 425 T HN 0.113 nan 8.240 nan 0.000 0.467 426 P HA 0.253 nan 4.420 nan 0.000 0.272 426 P C -1.273 176.039 177.300 0.020 0.000 1.223 426 P CA -0.040 63.197 63.100 0.228 0.000 0.784 426 P CB 0.355 32.169 31.700 0.190 0.000 0.923 427 Y N 0.301 120.672 120.300 0.118 0.000 2.621 427 Y HA 0.453 5.006 4.550 0.005 0.000 0.334 427 Y C -1.664 174.063 175.900 -0.288 0.000 1.074 427 Y CA -2.248 55.722 58.100 -0.215 0.000 1.149 427 Y CB 0.591 39.082 38.460 0.051 0.000 1.302 427 Y HN 0.276 nan 8.280 nan 0.000 0.501 428 P HA 0.077 nan 4.420 nan 0.000 0.272 428 P C -0.392 176.806 177.300 -0.169 0.000 1.254 428 P CA 0.129 63.011 63.100 -0.363 0.000 0.795 428 P CB 0.545 31.808 31.700 -0.728 0.000 1.022 429 S N -2.978 112.724 115.700 0.005 0.000 3.078 429 S HA 0.096 4.569 4.470 0.005 0.000 0.248 429 S C -0.134 174.510 174.600 0.073 0.000 0.857 429 S CA -0.707 57.532 58.200 0.065 0.000 1.139 429 S CB -0.796 62.370 63.200 -0.057 0.000 1.186 429 S HN 0.486 nan 8.310 nan 0.000 0.567 430 D N 1.518 121.996 120.400 0.130 0.000 2.357 430 D HA 0.217 4.860 4.640 0.005 0.000 0.242 430 D C -1.978 174.397 176.300 0.123 0.000 1.153 430 D CA -1.190 52.879 54.000 0.114 0.000 0.918 430 D CB 0.717 41.593 40.800 0.126 0.000 1.181 430 D HN -0.049 nan 8.370 nan 0.000 0.435 431 P HA -0.156 nan 4.420 nan 0.000 0.215 431 P C 1.433 178.772 177.300 0.065 0.000 1.157 431 P CA 1.755 64.883 63.100 0.047 0.000 0.874 431 P CB 0.021 31.739 31.700 0.030 0.000 0.790 432 T N -1.290 113.324 114.554 0.100 0.000 2.746 432 T HA -0.158 4.195 4.350 0.005 0.000 0.267 432 T C 1.453 176.234 174.700 0.136 0.000 1.039 432 T CA 1.033 63.196 62.100 0.105 0.000 1.142 432 T CB -0.948 67.993 68.868 0.121 0.000 0.866 432 T HN 0.017 nan 8.240 nan 0.000 0.444 433 F N 1.623 121.607 119.950 0.057 0.000 2.102 433 F HA 0.019 4.549 4.527 0.005 0.000 0.298 433 F C 1.903 177.718 175.800 0.025 0.000 1.105 433 F CA 1.095 59.139 58.000 0.074 0.000 1.239 433 F CB -0.438 38.617 39.000 0.092 0.000 0.991 433 F HN 0.052 nan 8.300 nan 0.000 0.474 434 L N 0.065 121.296 121.223 0.014 0.000 2.141 434 L HA -0.206 4.137 4.340 0.005 0.000 0.209 434 L C 2.526 179.296 176.870 -0.168 0.000 1.094 434 L CA 1.394 56.149 54.840 -0.141 0.000 0.763 434 L CB -0.723 41.281 42.059 -0.092 0.000 0.908 434 L HN 0.135 nan 8.230 nan 0.000 0.437 435 K N 0.536 120.878 120.400 -0.096 0.000 2.057 435 K HA -0.175 4.148 4.320 0.005 0.000 0.207 435 K C 2.284 178.822 176.600 -0.104 0.000 1.049 435 K CA 1.214 57.451 56.287 -0.082 0.000 0.931 435 K CB 0.073 32.554 32.500 -0.031 0.000 0.714 435 K HN 0.232 nan 8.250 nan 0.000 0.440 436 R N 0.070 120.494 120.500 -0.127 0.000 2.081 436 R HA -0.106 4.237 4.340 0.005 0.000 0.235 436 R C 2.298 178.498 176.300 -0.167 0.000 1.131 436 R CA 1.484 57.508 56.100 -0.128 0.000 0.960 436 R CB -0.375 29.842 30.300 -0.139 0.000 0.856 436 R HN 0.059 nan 8.270 nan 0.000 0.436 437 V N 1.144 120.887 119.914 -0.284 0.000 2.358 437 V HA -0.237 3.886 4.120 0.005 0.000 0.246 437 V C 2.309 178.300 176.094 -0.171 0.000 1.047 437 V CA 1.866 64.041 62.300 -0.208 0.000 1.035 437 V CB -0.499 31.151 31.823 -0.288 0.000 0.658 437 V HN 0.385 nan 8.190 nan 0.000 0.452 438 E N 0.246 120.329 120.200 -0.194 0.000 2.085 438 E HA -0.262 4.091 4.350 0.005 0.000 0.194 438 E C 2.262 178.767 176.600 -0.159 0.000 0.994 438 E CA 1.470 57.760 56.400 -0.184 0.000 0.801 438 E CB -0.233 29.376 29.700 -0.152 0.000 0.743 438 E HN 0.567 nan 8.360 nan 0.000 0.453 439 A N 1.741 124.486 122.820 -0.126 0.000 1.883 439 A HA -0.286 4.037 4.320 0.005 0.000 0.217 439 A C 2.076 179.595 177.584 -0.108 0.000 1.186 439 A CA 2.025 53.993 52.037 -0.115 0.000 0.624 439 A CB -0.825 18.121 19.000 -0.091 0.000 0.822 439 A HN 0.590 nan 8.150 nan 0.000 0.444 440 E N -0.020 120.136 120.200 -0.073 0.000 2.150 440 E HA -0.035 4.318 4.350 0.005 0.000 0.193 440 E C 1.969 178.499 176.600 -0.118 0.000 0.985 440 E CA 1.123 57.501 56.400 -0.035 0.000 0.814 440 E CB -0.365 29.395 29.700 0.099 0.000 0.752 440 E HN 0.472 nan 8.360 nan 0.000 0.466 441 A N 1.477 124.222 122.820 -0.124 0.000 1.873 441 A HA -0.065 4.258 4.320 0.005 0.000 0.215 441 A C 2.508 179.929 177.584 -0.271 0.000 1.186 441 A CA 1.389 53.347 52.037 -0.131 0.000 0.616 441 A CB -0.764 18.088 19.000 -0.247 0.000 0.823 441 A HN 0.189 nan 8.150 nan 0.000 0.442 442 V N -1.191 118.521 119.914 -0.336 0.000 2.287 442 V HA -0.304 3.819 4.120 0.005 0.000 0.248 442 V C 2.377 178.204 176.094 -0.445 0.000 1.053 442 V CA 2.265 64.223 62.300 -0.569 0.000 1.027 442 V CB -1.092 30.362 31.823 -0.615 0.000 0.646 442 V HN 0.706 nan 8.190 nan 0.000 0.447 443 Y N 1.715 121.794 120.300 -0.368 0.000 2.097 443 Y HA -0.238 4.315 4.550 0.005 0.000 0.282 443 Y C 2.537 178.272 175.900 -0.275 0.000 1.152 443 Y CA 2.188 60.111 58.100 -0.296 0.000 1.136 443 Y CB -0.356 37.953 38.460 -0.252 0.000 0.975 443 Y HN 0.279 nan 8.280 nan 0.000 0.498 444 N N 0.145 118.634 118.700 -0.351 0.000 2.300 444 N HA -0.095 4.648 4.740 0.005 0.000 0.179 444 N C 1.935 177.288 175.510 -0.262 0.000 1.016 444 N CA 1.472 54.283 53.050 -0.399 0.000 0.876 444 N CB -0.105 38.048 38.487 -0.557 0.000 0.979 444 N HN 0.431 nan 8.380 nan 0.000 0.432 445 I N 1.370 121.759 120.570 -0.302 0.000 2.179 445 I HA -0.212 3.961 4.170 0.005 0.000 0.242 445 I C 2.363 178.344 176.117 -0.227 0.000 1.088 445 I CA 1.093 62.255 61.300 -0.229 0.000 1.357 445 I CB -0.077 37.673 38.000 -0.417 0.000 1.051 445 I HN 0.006 nan 8.210 nan 0.000 0.409 446 R N 0.087 120.368 120.500 -0.365 0.000 2.120 446 R HA -0.159 4.184 4.340 0.005 0.000 0.234 446 R C 2.405 178.506 176.300 -0.332 0.000 1.123 446 R CA 1.109 57.001 56.100 -0.347 0.000 0.975 446 R CB -0.332 29.759 30.300 -0.347 0.000 0.866 446 R HN 0.298 nan 8.270 nan 0.000 0.446 447 R N 0.734 120.979 120.500 -0.424 0.000 2.092 447 R HA -0.047 4.296 4.340 0.005 0.000 0.231 447 R C 1.579 177.725 176.300 -0.258 0.000 1.119 447 R CA 1.169 57.033 56.100 -0.394 0.000 0.970 447 R CB 0.096 30.047 30.300 -0.582 0.000 0.864 447 R HN 0.203 nan 8.270 nan 0.000 0.440 448 L N 0.369 121.458 121.223 -0.224 0.000 2.590 448 L HA 0.156 4.499 4.340 0.005 0.000 0.227 448 L C 2.050 178.861 176.870 -0.098 0.000 1.099 448 L CA -0.019 54.717 54.840 -0.174 0.000 0.872 448 L CB 0.032 41.881 42.059 -0.349 0.000 1.088 448 L HN 0.179 nan 8.230 nan 0.000 0.479 449 R N -0.431 119.989 120.500 -0.133 0.000 2.280 449 R HA -0.022 4.321 4.340 0.005 0.000 0.207 449 R C 0.980 177.200 176.300 -0.134 0.000 1.043 449 R CA 0.818 56.861 56.100 -0.096 0.000 1.006 449 R CB -0.443 29.737 30.300 -0.199 0.000 0.885 449 R HN 0.332 nan 8.270 nan 0.000 0.467 450 N N 0.614 119.116 118.700 -0.329 0.000 2.398 450 N HA -0.024 4.719 4.740 0.005 0.000 0.188 450 N C -0.379 174.841 175.510 -0.484 0.000 1.122 450 N CA 0.250 53.016 53.050 -0.472 0.000 0.866 450 N CB 0.081 38.017 38.487 -0.919 0.000 0.970 450 N HN 0.316 nan 8.380 nan 0.000 0.462 451 H N 0.633 119.549 119.070 -0.257 0.000 2.767 451 H HA 0.152 4.711 4.556 0.005 0.000 0.316 451 H C 1.087 176.233 175.328 -0.304 0.000 1.059 451 H CA -0.181 55.730 56.048 -0.227 0.000 1.461 451 H CB 1.414 31.092 29.762 -0.140 0.000 1.475 451 H HN 0.075 nan 8.280 nan 0.000 0.531 452 A N 3.444 126.066 122.820 -0.330 0.000 1.948 452 A HA -0.237 4.086 4.320 0.005 0.000 0.220 452 A C 2.375 179.478 177.584 -0.800 0.000 1.177 452 A CA 2.064 53.663 52.037 -0.730 0.000 0.636 452 A CB -0.511 17.703 19.000 -1.309 0.000 0.815 452 A HN 0.740 nan 8.150 nan 0.000 0.449 453 S N -0.957 114.482 115.700 -0.434 0.000 2.428 453 S HA 0.057 4.530 4.470 0.005 0.000 0.230 453 S C 0.727 175.275 174.600 -0.086 0.000 1.014 453 S CA 0.471 58.561 58.200 -0.184 0.000 0.957 453 S CB -0.711 62.525 63.200 0.060 0.000 0.784 453 S HN 0.446 nan 8.310 nan 0.000 0.499 454 L N 1.854 123.028 121.223 -0.082 0.000 2.477 454 L HA 0.505 4.848 4.340 0.005 0.000 0.272 454 L C 0.831 177.639 176.870 -0.104 0.000 1.157 454 L CA 0.292 55.072 54.840 -0.100 0.000 0.889 454 L CB 0.480 42.445 42.059 -0.157 0.000 1.158 454 L HN 0.198 nan 8.230 nan 0.000 0.473 455 A N 6.435 129.216 122.820 -0.066 0.000 2.127 455 A HA 0.484 4.807 4.320 0.005 0.000 0.204 455 A C 0.380 178.002 177.584 0.065 0.000 1.243 455 A CA 0.795 52.860 52.037 0.046 0.000 0.887 455 A CB 0.067 19.147 19.000 0.133 0.000 0.933 455 A HN 0.786 nan 8.150 nan 0.000 0.479 456 M N -4.531 115.026 119.600 -0.070 0.000 2.853 456 M HA 0.580 5.063 4.480 0.005 0.000 0.273 456 M C -2.347 173.791 176.300 -0.270 0.000 1.128 456 M CA -0.659 54.608 55.300 -0.054 0.000 0.814 456 M CB 0.823 33.432 32.600 0.016 0.000 1.667 456 M HN 0.057 nan 8.290 nan 0.000 0.519 457 W N 0.718 122.007 121.300 -0.018 0.000 2.666 457 W HA 0.769 5.432 4.660 0.005 0.000 0.334 457 W C -1.071 175.403 176.519 -0.074 0.000 1.051 457 W CA -0.413 56.936 57.345 0.006 0.000 1.224 457 W CB 2.057 31.652 29.460 0.224 0.000 1.405 457 W HN 0.862 nan 8.180 nan 0.000 0.513 458 C N 2.495 121.955 119.300 0.267 0.000 2.431 458 C HA 0.588 5.051 4.460 0.005 0.000 0.321 458 C C 1.527 176.751 174.990 0.390 0.000 1.202 458 C CA 0.038 59.125 59.018 0.115 0.000 1.398 458 C CB 0.314 28.245 27.740 0.318 0.000 2.047 458 C HN 0.996 nan 8.230 nan 0.000 0.465 459 G N 4.197 113.108 108.800 0.184 0.000 2.442 459 G HA2 0.001 3.964 3.960 0.005 0.000 0.219 459 G HA3 0.001 3.964 3.960 0.005 0.000 0.219 459 G C 0.275 175.448 174.900 0.455 0.000 1.141 459 G CA 1.485 46.931 45.100 0.578 0.000 0.763 459 G HN 1.129 nan 8.290 nan 0.000 0.554 460 N N -2.684 116.104 118.700 0.146 0.000 3.185 460 N HA 0.169 4.912 4.740 0.005 0.000 0.238 460 N C -1.625 173.937 175.510 0.086 0.000 1.451 460 N CA -0.882 52.213 53.050 0.074 0.000 0.888 460 N CB 0.494 38.786 38.487 -0.325 0.000 1.413 460 N HN -0.017 nan 8.380 nan 0.000 0.511 461 N N 0.122 118.869 118.700 0.079 0.000 2.439 461 N HA 0.256 4.999 4.740 0.005 0.000 0.249 461 N C -0.859 174.747 175.510 0.161 0.000 1.003 461 N CA -0.095 53.049 53.050 0.157 0.000 0.942 461 N CB 0.297 38.832 38.487 0.081 0.000 1.115 461 N HN 0.748 nan 8.380 nan 0.000 0.505 462 E N 1.451 121.717 120.200 0.110 0.000 3.170 462 E HA -0.273 4.080 4.350 0.005 0.000 0.284 462 E C 0.559 177.149 176.600 -0.017 0.000 0.967 462 E CA 0.566 57.003 56.400 0.062 0.000 0.919 462 E CB -1.299 28.512 29.700 0.185 0.000 1.469 462 E HN 0.680 nan 8.360 nan 0.000 0.444 463 I N -0.218 120.352 120.570 -0.001 0.000 2.233 463 I HA -0.211 3.962 4.170 0.005 0.000 0.243 463 I C 2.402 178.441 176.117 -0.132 0.000 1.093 463 I CA 0.907 62.203 61.300 -0.006 0.000 1.380 463 I CB -0.195 37.880 38.000 0.125 0.000 1.067 463 I HN 0.142 nan 8.210 nan 0.000 0.413 464 L N 1.288 122.415 121.223 -0.161 0.000 2.042 464 L HA -0.245 4.098 4.340 0.005 0.000 0.210 464 L C 2.495 179.202 176.870 -0.271 0.000 1.076 464 L CA 1.955 56.574 54.840 -0.369 0.000 0.749 464 L CB -0.656 41.267 42.059 -0.226 0.000 0.893 464 L HN 0.268 nan 8.230 nan 0.000 0.432 465 E N -0.595 119.523 120.200 -0.138 0.000 2.070 465 E HA -0.302 4.051 4.350 0.005 0.000 0.197 465 E C 2.088 178.510 176.600 -0.297 0.000 1.004 465 E CA 1.517 57.899 56.400 -0.031 0.000 0.805 465 E CB -0.262 29.502 29.700 0.107 0.000 0.744 465 E HN 0.591 nan 8.360 nan 0.000 0.451 466 A N 1.022 123.453 122.820 -0.648 0.000 1.865 466 A HA -0.193 4.130 4.320 0.005 0.000 0.217 466 A C 2.282 179.252 177.584 -1.023 0.000 1.191 466 A CA 1.637 52.801 52.037 -1.456 0.000 0.623 466 A CB -0.878 17.307 19.000 -1.357 0.000 0.826 466 A HN 0.368 nan 8.150 nan 0.000 0.444 467 L N -1.049 119.877 121.223 -0.495 0.000 2.079 467 L HA -0.217 4.126 4.340 0.005 0.000 0.210 467 L C 2.569 179.278 176.870 -0.269 0.000 1.081 467 L CA 1.815 56.517 54.840 -0.231 0.000 0.752 467 L CB -0.311 41.638 42.059 -0.183 0.000 0.896 467 L HN 0.384 nan 8.230 nan 0.000 0.433 468 K N -1.446 118.681 120.400 -0.455 0.000 2.137 468 K HA -0.042 4.281 4.320 0.005 0.000 0.202 468 K C 0.993 177.217 176.600 -0.627 0.000 1.052 468 K CA 0.974 56.876 56.287 -0.640 0.000 0.961 468 K CB 0.195 32.010 32.500 -1.142 0.000 0.741 468 K HN 0.179 nan 8.250 nan 0.000 0.452 469 Y N -2.370 117.837 120.300 -0.155 0.000 2.588 469 Y HA 0.121 4.674 4.550 0.005 0.000 0.247 469 Y C 0.297 176.290 175.900 0.155 0.000 1.157 469 Y CA -0.784 57.307 58.100 -0.014 0.000 1.215 469 Y CB 0.498 38.971 38.460 0.022 0.000 1.245 469 Y HN 0.084 nan 8.280 nan 0.000 0.534 470 W N -0.055 121.060 121.300 -0.308 0.000 3.005 470 W HA 0.546 5.209 4.660 0.005 0.000 0.374 470 W C 1.279 177.634 176.519 -0.273 0.000 1.076 470 W CA -0.520 56.630 57.345 -0.325 0.000 1.794 470 W CB -0.183 28.988 29.460 -0.482 0.000 1.113 470 W HN 0.113 nan 8.180 nan 0.000 0.584 471 G N 0.883 109.646 108.800 -0.061 0.000 2.246 471 G HA2 -0.355 3.608 3.960 0.005 0.000 0.273 471 G HA3 -0.355 3.608 3.960 0.005 0.000 0.273 471 G C 0.527 175.492 174.900 0.108 0.000 1.055 471 G CA 0.174 45.266 45.100 -0.013 0.000 0.851 471 G HN 0.096 nan 8.290 nan 0.000 0.500 472 F N 0.462 120.458 119.950 0.076 0.000 2.451 472 F HA 0.041 4.571 4.527 0.005 0.000 0.299 472 F C 2.327 178.049 175.800 -0.130 0.000 1.101 472 F CA 0.738 58.852 58.000 0.190 0.000 1.436 472 F CB -0.213 39.084 39.000 0.495 0.000 1.074 472 F HN 0.334 nan 8.300 nan 0.000 0.553 473 E N 0.633 120.615 120.200 -0.364 0.000 2.171 473 E HA -0.213 4.140 4.350 0.005 0.000 0.197 473 E C 1.571 178.075 176.600 -0.160 0.000 0.997 473 E CA 1.252 57.359 56.400 -0.489 0.000 0.810 473 E CB -0.184 29.272 29.700 -0.407 0.000 0.738 473 E HN 0.460 nan 8.360 nan 0.000 0.467 474 K N -0.229 120.130 120.400 -0.070 0.000 2.374 474 K HA 0.102 4.425 4.320 0.005 0.000 0.202 474 K C 1.648 178.210 176.600 -0.065 0.000 1.040 474 K CA -0.024 56.233 56.287 -0.050 0.000 1.085 474 K CB 0.640 33.114 32.500 -0.043 0.000 0.873 474 K HN -0.136 nan 8.250 nan 0.000 0.539 475 K N 0.176 120.530 120.400 -0.078 0.000 2.354 475 K HA 0.165 4.488 4.320 0.005 0.000 0.194 475 K C -0.501 175.673 176.600 -0.710 0.000 1.045 475 K CA 0.299 56.385 56.287 -0.334 0.000 1.026 475 K CB 0.485 32.806 32.500 -0.298 0.000 0.866 475 K HN -0.139 nan 8.250 nan 0.000 0.530 476 F N -0.046 119.882 119.950 -0.038 0.000 2.629 476 F HA 0.234 4.764 4.527 0.005 0.000 0.316 476 F C 0.274 176.030 175.800 -0.073 0.000 1.081 476 F CA -1.169 56.771 58.000 -0.100 0.000 0.954 476 F CB 1.327 40.221 39.000 -0.176 0.000 1.337 476 F HN -0.172 nan 8.300 nan 0.000 0.474 477 T N -1.328 113.296 114.554 0.118 0.000 2.855 477 T HA 0.151 4.504 4.350 0.005 0.000 0.314 477 T C -2.088 172.658 174.700 0.078 0.000 1.077 477 T CA -1.113 61.022 62.100 0.058 0.000 1.095 477 T CB 0.849 69.736 68.868 0.030 0.000 0.987 477 T HN 0.300 nan 8.240 nan 0.000 0.546 478 P HA -0.054 nan 4.420 nan 0.000 0.216 478 P C 1.278 178.623 177.300 0.074 0.000 1.150 478 P CA 1.012 64.160 63.100 0.080 0.000 0.837 478 P CB 0.050 31.776 31.700 0.045 0.000 0.786 479 E N -0.760 119.458 120.200 0.030 0.000 2.047 479 E HA -0.111 4.242 4.350 0.005 0.000 0.191 479 E C 2.057 178.632 176.600 -0.041 0.000 0.987 479 E CA 0.923 57.325 56.400 0.003 0.000 0.799 479 E CB -1.284 28.418 29.700 0.003 0.000 0.752 479 E HN -0.007 nan 8.360 nan 0.000 0.449 480 V N 0.282 120.141 119.914 -0.093 0.000 2.343 480 V HA -0.257 3.866 4.120 0.005 0.000 0.247 480 V C 1.978 177.889 176.094 -0.306 0.000 1.051 480 V CA 1.811 63.924 62.300 -0.312 0.000 1.036 480 V CB -0.491 30.989 31.823 -0.571 0.000 0.654 480 V HN 0.320 nan 8.190 nan 0.000 0.451 481 Y N 0.936 121.100 120.300 -0.227 0.000 2.181 481 Y HA -0.278 4.275 4.550 0.005 0.000 0.288 481 Y C 2.659 178.503 175.900 -0.092 0.000 1.146 481 Y CA 2.217 60.224 58.100 -0.156 0.000 1.164 481 Y CB -0.243 38.214 38.460 -0.005 0.000 0.982 481 Y HN 0.276 nan 8.280 nan 0.000 0.515 482 Q N 0.352 120.122 119.800 -0.049 0.000 2.084 482 Q HA -0.065 4.278 4.340 0.005 0.000 0.202 482 Q C 2.441 178.384 176.000 -0.095 0.000 0.978 482 Q CA 2.000 57.753 55.803 -0.084 0.000 0.844 482 Q CB -1.141 27.591 28.738 -0.010 0.000 0.898 482 Q HN 0.523 nan 8.270 nan 0.000 0.426 483 G N 0.543 109.293 108.800 -0.085 0.000 2.440 483 G HA2 -0.228 3.735 3.960 0.005 0.000 0.218 483 G HA3 -0.228 3.735 3.960 0.005 0.000 0.218 483 G C 1.404 176.271 174.900 -0.055 0.000 1.154 483 G CA 0.986 46.070 45.100 -0.026 0.000 0.767 483 G HN 0.399 nan 8.290 nan 0.000 0.552 484 L N -0.064 121.040 121.223 -0.198 0.000 2.012 484 L HA -0.133 4.210 4.340 0.005 0.000 0.210 484 L C 3.140 179.937 176.870 -0.122 0.000 1.073 484 L CA 1.029 55.757 54.840 -0.186 0.000 0.748 484 L CB -0.419 41.423 42.059 -0.362 0.000 0.891 484 L HN 0.158 nan 8.230 nan 0.000 0.431 485 M N -1.118 118.324 119.600 -0.263 0.000 2.086 485 M HA -0.237 4.246 4.480 0.005 0.000 0.261 485 M C 2.298 178.631 176.300 0.055 0.000 1.067 485 M CA 1.722 56.925 55.300 -0.162 0.000 1.116 485 M CB -1.573 30.855 32.600 -0.287 0.000 1.348 485 M HN 0.382 nan 8.290 nan 0.000 0.407 486 H N -0.288 118.748 119.070 -0.057 0.000 2.353 486 H HA -0.103 4.456 4.556 0.005 0.000 0.300 486 H C 1.981 177.314 175.328 0.009 0.000 1.090 486 H CA 1.353 57.390 56.048 -0.019 0.000 1.327 486 H CB 0.130 29.874 29.762 -0.030 0.000 1.383 486 H HN 0.397 nan 8.280 nan 0.000 0.508 487 G N -0.366 108.420 108.800 -0.024 0.000 2.422 487 G HA2 -0.333 3.630 3.960 0.005 0.000 0.218 487 G HA3 -0.333 3.630 3.960 0.005 0.000 0.218 487 G C 1.571 176.451 174.900 -0.033 0.000 1.146 487 G CA 0.739 45.786 45.100 -0.088 0.000 0.769 487 G HN 0.534 nan 8.290 nan 0.000 0.547 488 Y N 1.949 122.253 120.300 0.007 0.000 2.081 488 Y HA -0.211 4.342 4.550 0.005 0.000 0.280 488 Y C 2.532 178.478 175.900 0.076 0.000 1.163 488 Y CA 2.270 60.457 58.100 0.146 0.000 1.135 488 Y CB -0.097 38.444 38.460 0.137 0.000 0.970 488 Y HN 0.202 nan 8.280 nan 0.000 0.498 489 D N 0.035 120.530 120.400 0.158 0.000 2.123 489 D HA -0.177 4.466 4.640 0.005 0.000 0.196 489 D C 2.041 178.254 176.300 -0.146 0.000 0.992 489 D CA 1.677 55.699 54.000 0.035 0.000 0.833 489 D CB -0.294 40.559 40.800 0.087 0.000 0.954 489 D HN 0.395 nan 8.370 nan 0.000 0.455 490 K N -0.232 120.035 120.400 -0.221 0.000 2.103 490 K HA -0.133 4.190 4.320 0.005 0.000 0.207 490 K C 1.936 178.311 176.600 -0.373 0.000 1.048 490 K CA 0.604 56.720 56.287 -0.286 0.000 0.930 490 K CB -0.074 32.225 32.500 -0.334 0.000 0.716 490 K HN 0.061 nan 8.250 nan 0.000 0.444 491 L N -0.513 120.388 121.223 -0.537 0.000 2.130 491 L HA 0.054 4.397 4.340 0.005 0.000 0.200 491 L C 1.564 177.858 176.870 -0.960 0.000 1.075 491 L CA 1.664 55.974 54.840 -0.883 0.000 0.768 491 L CB -0.247 41.019 42.059 -1.323 0.000 0.933 491 L HN -0.007 nan 8.230 nan 0.000 0.451 492 F N -0.460 119.188 119.950 -0.504 0.000 2.619 492 F HA 0.232 4.762 4.527 0.005 0.000 0.293 492 F C 2.120 177.833 175.800 -0.145 0.000 1.119 492 F CA 0.370 58.138 58.000 -0.387 0.000 1.445 492 F CB -0.213 38.381 39.000 -0.677 0.000 1.119 492 F HN -0.028 nan 8.300 nan 0.000 0.573 493 R N -0.444 120.010 120.500 -0.077 0.000 2.397 493 R HA 0.187 4.530 4.340 0.005 0.000 0.241 493 R C 0.772 177.003 176.300 -0.115 0.000 0.914 493 R CA 0.334 56.415 56.100 -0.031 0.000 1.071 493 R CB 0.349 30.634 30.300 -0.025 0.000 1.116 493 R HN 0.316 nan 8.270 nan 0.000 0.524 494 E N -0.155 119.925 120.200 -0.200 0.000 3.312 494 E HA 0.026 4.379 4.350 0.005 0.000 0.178 494 E C 1.172 177.598 176.600 -0.289 0.000 1.204 494 E CA -0.255 56.017 56.400 -0.213 0.000 1.335 494 E CB -0.106 29.486 29.700 -0.180 0.000 1.680 494 E HN -0.074 nan 8.360 nan 0.000 0.503 495 L N 2.017 123.038 121.223 -0.337 0.000 1.970 495 L HA -0.128 4.215 4.340 0.005 0.000 0.212 495 L C 2.084 178.679 176.870 -0.458 0.000 1.071 495 L CA 1.769 56.390 54.840 -0.365 0.000 0.751 495 L CB -0.516 41.311 42.059 -0.388 0.000 0.889 495 L HN 0.166 nan 8.230 nan 0.000 0.432 496 L N 0.089 120.960 121.223 -0.586 0.000 2.017 496 L HA -0.111 4.232 4.340 0.005 0.000 0.208 496 L C -0.195 176.144 176.870 -0.886 0.000 1.073 496 L CA 1.463 55.836 54.840 -0.779 0.000 0.745 496 L CB -2.187 39.372 42.059 -0.833 0.000 0.894 496 L HN 0.300 nan 8.230 nan 0.000 0.432 497 P HA -0.129 nan 4.420 nan 0.000 0.218 497 P C 1.679 178.673 177.300 -0.510 0.000 1.149 497 P CA 1.778 64.291 63.100 -0.979 0.000 0.817 497 P CB -0.011 31.282 31.700 -0.678 0.000 0.785 498 S N -0.794 114.671 115.700 -0.392 0.000 2.383 498 S HA -0.107 4.366 4.470 0.005 0.000 0.227 498 S C 1.964 176.413 174.600 -0.252 0.000 1.026 498 S CA 1.778 59.813 58.200 -0.274 0.000 0.981 498 S CB -1.961 61.106 63.200 -0.222 0.000 0.818 498 S HN 0.115 nan 8.310 nan 0.000 0.472 499 T N 2.262 116.650 114.554 -0.278 0.000 2.777 499 T HA 0.036 4.389 4.350 0.005 0.000 0.266 499 T C 1.910 176.522 174.700 -0.145 0.000 1.040 499 T CA 1.259 63.268 62.100 -0.152 0.000 1.141 499 T CB -0.533 68.209 68.868 -0.210 0.000 0.868 499 T HN 0.286 nan 8.240 nan 0.000 0.444 500 V N 1.674 121.406 119.914 -0.304 0.000 2.427 500 V HA -0.146 3.977 4.120 0.005 0.000 0.248 500 V C 2.499 178.483 176.094 -0.184 0.000 1.051 500 V CA 1.565 63.694 62.300 -0.286 0.000 1.048 500 V CB -0.525 31.109 31.823 -0.315 0.000 0.666 500 V HN 0.444 nan 8.190 nan 0.000 0.456 501 K N 0.195 120.472 120.400 -0.206 0.000 2.097 501 K HA -0.244 4.079 4.320 0.005 0.000 0.205 501 K C 2.187 178.666 176.600 -0.201 0.000 1.050 501 K CA 1.923 58.109 56.287 -0.168 0.000 0.938 501 K CB -0.048 32.351 32.500 -0.169 0.000 0.718 501 K HN 0.595 nan 8.250 nan 0.000 0.442 502 E N -0.865 119.169 120.200 -0.276 0.000 2.072 502 E HA -0.126 4.227 4.350 0.005 0.000 0.190 502 E C 1.065 177.281 176.600 -0.640 0.000 0.982 502 E CA 1.110 57.210 56.400 -0.500 0.000 0.803 502 E CB 0.070 29.356 29.700 -0.690 0.000 0.755 502 E HN 0.332 nan 8.360 nan 0.000 0.453 503 F N -0.607 119.222 119.950 -0.201 0.000 2.720 503 F HA 0.252 4.782 4.527 0.005 0.000 0.301 503 F C 0.454 176.088 175.800 -0.276 0.000 1.103 503 F CA -0.141 57.712 58.000 -0.245 0.000 1.291 503 F CB 1.035 39.872 39.000 -0.272 0.000 1.086 503 F HN -0.109 nan 8.300 nan 0.000 0.592 504 D N -0.740 119.620 120.400 -0.066 0.000 3.060 504 D HA 0.083 4.726 4.640 0.005 0.000 0.326 504 D C 1.099 177.417 176.300 0.030 0.000 1.253 504 D CA 0.276 54.271 54.000 -0.009 0.000 0.737 504 D CB 0.200 41.056 40.800 0.093 0.000 1.260 504 D HN 0.024 nan 8.370 nan 0.000 0.542 505 S N -0.654 115.047 115.700 0.001 0.000 2.442 505 S HA -0.120 4.353 4.470 0.005 0.000 0.236 505 S C 1.168 175.787 174.600 0.033 0.000 1.007 505 S CA 0.703 58.898 58.200 -0.008 0.000 0.965 505 S CB 0.171 63.351 63.200 -0.033 0.000 0.773 505 S HN 0.153 nan 8.310 nan 0.000 0.504 506 D N 1.242 121.680 120.400 0.064 0.000 2.340 506 D HA 0.174 4.818 4.640 0.005 0.000 0.220 506 D C 0.486 176.840 176.300 0.091 0.000 1.039 506 D CA 0.284 54.323 54.000 0.065 0.000 0.866 506 D CB 0.161 40.998 40.800 0.061 0.000 0.913 506 D HN 0.474 nan 8.370 nan 0.000 0.523 507 R N 0.092 120.675 120.500 0.138 0.000 2.589 507 R HA 0.299 4.642 4.340 0.005 0.000 0.293 507 R C -0.389 176.057 176.300 0.244 0.000 0.963 507 R CA -0.899 55.321 56.100 0.200 0.000 0.905 507 R CB 1.635 32.110 30.300 0.291 0.000 1.144 507 R HN -0.116 nan 8.270 nan 0.000 0.459 508 F N 2.660 122.637 119.950 0.045 0.000 2.518 508 F HA 0.115 4.645 4.527 0.006 0.000 0.359 508 F C -0.711 175.177 175.800 0.148 0.000 1.118 508 F CA 0.127 58.125 58.000 -0.003 0.000 1.287 508 F CB 0.351 39.229 39.000 -0.204 0.000 1.132 508 F HN 0.399 nan 8.300 nan 0.000 0.587 509 Y N 6.001 125.833 120.300 -0.781 0.000 2.442 509 Y HA 0.607 5.160 4.550 0.005 0.000 0.344 509 Y C -1.855 173.453 175.900 -0.986 0.000 0.976 509 Y CA -1.060 56.711 58.100 -0.549 0.000 1.040 509 Y CB 1.518 39.861 38.460 -0.195 0.000 1.228 509 Y HN 0.572 nan 8.280 nan 0.000 0.451 510 V N 6.487 125.656 119.914 -1.242 0.000 2.823 510 V HA 0.280 4.403 4.120 0.005 0.000 0.312 510 V C 0.173 175.667 176.094 -1.000 0.000 1.072 510 V CA -0.382 61.395 62.300 -0.871 0.000 0.937 510 V CB 1.580 33.207 31.823 -0.326 0.000 1.013 510 V HN 1.049 nan 8.190 nan 0.000 0.430 511 H N 3.021 121.825 119.070 -0.443 0.000 2.495 511 H HA 0.376 4.935 4.556 0.005 0.000 0.287 511 H C 0.743 176.041 175.328 -0.050 0.000 1.033 511 H CA 0.939 56.900 56.048 -0.145 0.000 1.307 511 H CB 0.203 30.071 29.762 0.177 0.000 1.401 511 H HN 0.530 nan 8.280 nan 0.000 0.555 512 S N -0.921 114.473 115.700 -0.510 0.000 2.547 512 S HA 0.460 4.933 4.470 0.005 0.000 0.270 512 S C -1.562 173.001 174.600 -0.061 0.000 1.150 512 S CA -0.621 57.448 58.200 -0.218 0.000 0.850 512 S CB 1.725 64.838 63.200 -0.146 0.000 1.118 512 S HN 0.357 nan 8.310 nan 0.000 0.461 513 S N 3.274 119.031 115.700 0.096 0.000 2.552 513 S HA 0.729 5.202 4.470 0.005 0.000 0.314 513 S C -2.889 171.590 174.600 -0.200 0.000 1.099 513 S CA -1.618 56.681 58.200 0.164 0.000 1.070 513 S CB 1.352 64.885 63.200 0.555 0.000 0.998 513 S HN 0.531 nan 8.310 nan 0.000 0.474 514 P HA 0.191 nan 4.420 nan 0.000 0.279 514 P C 0.037 177.272 177.300 -0.108 0.000 1.239 514 P CA -0.449 62.514 63.100 -0.228 0.000 0.789 514 P CB 0.400 31.957 31.700 -0.238 0.000 0.933 515 Y N 2.555 122.798 120.300 -0.096 0.000 2.457 515 Y HA 0.092 4.644 4.550 0.005 0.000 0.292 515 Y C 1.269 177.196 175.900 0.045 0.000 1.125 515 Y CA 0.919 58.951 58.100 -0.114 0.000 1.254 515 Y CB -0.189 38.181 38.460 -0.150 0.000 1.012 515 Y HN 0.169 nan 8.280 nan 0.000 0.555 516 L N -0.393 120.705 121.223 -0.209 0.000 2.406 516 L HA 0.551 4.894 4.340 0.005 0.000 0.228 516 L C 0.692 177.574 176.870 0.020 0.000 1.081 516 L CA 0.702 55.534 54.840 -0.014 0.000 1.089 516 L CB -0.644 41.423 42.059 0.013 0.000 2.191 516 L HN 0.146 nan 8.230 nan 0.000 0.520 517 A N 2.390 125.172 122.820 -0.063 0.000 2.540 517 A HA 0.220 4.543 4.320 0.005 0.000 0.239 517 A C 0.062 177.745 177.584 0.165 0.000 1.061 517 A CA 0.302 52.404 52.037 0.109 0.000 0.758 517 A CB -0.272 18.818 19.000 0.151 0.000 0.991 517 A HN 0.589 nan 8.150 nan 0.000 0.502 518 N N 2.416 121.242 118.700 0.210 0.000 2.238 518 N HA 0.197 4.940 4.740 0.005 0.000 0.302 518 N C 0.724 176.448 175.510 0.356 0.000 1.072 518 N CA -0.669 52.450 53.050 0.115 0.000 0.792 518 N CB 1.023 39.292 38.487 -0.364 0.000 1.425 518 N HN 0.859 nan 8.380 nan 0.000 0.478 519 W N 2.890 124.359 121.300 0.281 0.000 2.595 519 W HA 0.192 4.855 4.660 0.005 0.000 0.257 519 W C 0.533 177.320 176.519 0.447 0.000 1.267 519 W CA 0.559 58.156 57.345 0.419 0.000 1.300 519 W CB -0.445 29.195 29.460 0.300 0.000 1.120 519 W HN 0.554 nan 8.180 nan 0.000 0.618 520 G N 1.295 109.988 108.800 -0.178 0.000 3.042 520 G HA2 0.085 4.048 3.960 0.005 0.000 0.212 520 G HA3 0.085 4.048 3.960 0.005 0.000 0.212 520 G C 0.666 175.451 174.900 -0.191 0.000 1.166 520 G CA -0.559 44.362 45.100 -0.299 0.000 0.767 520 G HN 0.120 nan 8.290 nan 0.000 0.546 521 R N 0.261 120.662 120.500 -0.166 0.000 2.494 521 R HA 0.224 4.567 4.340 0.005 0.000 0.284 521 R C -2.127 173.745 176.300 -0.713 0.000 1.525 521 R CA -1.530 54.375 56.100 -0.324 0.000 1.460 521 R CB 1.839 31.985 30.300 -0.255 0.000 1.134 521 R HN -0.037 nan 8.270 nan 0.000 0.592 522 P HA -0.266 nan 4.420 nan 0.000 0.217 522 P C 1.199 177.877 177.300 -1.037 0.000 1.148 522 P CA 1.196 63.156 63.100 -1.900 0.000 0.828 522 P CB 0.305 31.348 31.700 -1.096 0.000 0.783 523 E N 0.116 119.997 120.200 -0.533 0.000 2.338 523 E HA -0.127 4.226 4.350 0.005 0.000 0.197 523 E C 1.434 177.948 176.600 -0.143 0.000 1.007 523 E CA 1.652 57.906 56.400 -0.244 0.000 0.849 523 E CB -0.950 28.661 29.700 -0.149 0.000 0.774 523 E HN 0.349 nan 8.360 nan 0.000 0.506 524 S N -0.911 114.673 115.700 -0.193 0.000 2.548 524 S HA 0.024 4.497 4.470 0.005 0.000 0.215 524 S C 1.282 175.989 174.600 0.179 0.000 0.976 524 S CA -0.389 57.813 58.200 0.004 0.000 0.908 524 S CB -0.582 62.638 63.200 0.033 0.000 0.781 524 S HN 0.238 nan 8.310 nan 0.000 0.519 525 W N 2.399 123.742 121.300 0.072 0.000 2.465 525 W HA 0.347 5.009 4.660 0.004 0.000 0.268 525 W C 2.171 178.759 176.519 0.114 0.000 1.242 525 W CA 0.058 57.459 57.345 0.094 0.000 1.248 525 W CB -1.317 28.220 29.460 0.129 0.000 1.118 525 W HN 0.515 nan 8.180 nan 0.000 0.587 526 G N -0.538 108.464 108.800 0.336 0.000 2.848 526 G HA2 -0.005 3.958 3.960 0.005 0.000 0.208 526 G HA3 -0.005 3.958 3.960 0.005 0.000 0.208 526 G C 0.085 175.058 174.900 0.122 0.000 1.152 526 G CA 0.353 45.593 45.100 0.234 0.000 0.789 526 G HN 0.030 nan 8.290 nan 0.000 0.531 527 T N 0.938 115.560 114.554 0.113 0.000 2.963 527 T HA 0.576 4.929 4.350 0.005 0.000 0.343 527 T C 0.732 175.384 174.700 -0.079 0.000 1.146 527 T CA 0.273 62.417 62.100 0.073 0.000 1.016 527 T CB 1.075 69.991 68.868 0.081 0.000 1.046 527 T HN 0.841 nan 8.240 nan 0.000 0.496 528 G N 4.072 112.885 108.800 0.022 0.000 2.598 528 G HA2 -0.184 3.779 3.960 0.005 0.000 0.244 528 G HA3 -0.184 3.779 3.960 0.005 0.000 0.244 528 G C -0.619 174.153 174.900 -0.215 0.000 1.302 528 G CA -0.194 44.850 45.100 -0.094 0.000 0.903 528 G HN 0.835 nan 8.290 nan 0.000 0.575 529 D N -0.063 120.043 120.400 -0.490 0.000 2.283 529 D HA 0.571 5.214 4.640 0.005 0.000 0.248 529 D C -0.124 176.121 176.300 -0.093 0.000 1.072 529 D CA 0.125 53.960 54.000 -0.275 0.000 0.929 529 D CB 1.487 42.022 40.800 -0.442 0.000 1.182 529 D HN 0.463 nan 8.370 nan 0.000 0.433 530 S N -0.120 115.606 115.700 0.043 0.000 2.472 530 S HA 0.242 4.715 4.470 0.005 0.000 0.303 530 S C -0.571 174.171 174.600 0.237 0.000 1.099 530 S CA -0.698 57.546 58.200 0.074 0.000 1.077 530 S CB 0.869 64.022 63.200 -0.079 0.000 1.031 530 S HN 0.385 nan 8.310 nan 0.000 0.487 531 H N 2.793 121.907 119.070 0.073 0.000 2.741 531 H HA 0.208 4.767 4.556 0.005 0.000 0.261 531 H C -0.250 175.086 175.328 0.013 0.000 1.365 531 H CA -0.533 55.560 56.048 0.076 0.000 1.266 531 H CB 0.337 30.297 29.762 0.329 0.000 1.485 531 H HN 0.338 nan 8.280 nan 0.000 0.529 532 N N 2.921 121.545 118.700 -0.125 0.000 2.482 532 N HA -0.046 4.697 4.740 0.005 0.000 0.242 532 N C -0.340 174.954 175.510 -0.360 0.000 1.100 532 N CA -0.242 52.712 53.050 -0.159 0.000 0.946 532 N CB 0.233 38.526 38.487 -0.323 0.000 1.227 532 N HN 0.627 nan 8.380 nan 0.000 0.508 533 W N 2.065 123.160 121.300 -0.341 0.000 3.305 533 W HA 0.325 4.988 4.660 0.006 0.000 0.392 533 W C 1.864 177.780 176.519 -1.005 0.000 1.121 533 W CA -0.661 56.307 57.345 -0.628 0.000 1.909 533 W CB 0.384 29.468 29.460 -0.627 0.000 1.065 533 W HN 0.587 nan 8.180 nan 0.000 0.714 534 G N 0.512 109.087 108.800 -0.376 0.000 2.491 534 G HA2 -0.236 3.727 3.960 0.005 0.000 0.218 534 G HA3 -0.236 3.727 3.960 0.005 0.000 0.218 534 G C 0.676 175.598 174.900 0.036 0.000 1.180 534 G CA 0.557 45.619 45.100 -0.063 0.000 0.774 534 G HN -0.031 nan 8.290 nan 0.000 0.562 535 V N 0.971 120.950 119.914 0.109 0.000 2.655 535 V HA 0.188 4.311 4.120 0.005 0.000 0.300 535 V C 0.907 177.251 176.094 0.417 0.000 1.044 535 V CA 0.284 62.731 62.300 0.245 0.000 1.095 535 V CB 0.380 32.354 31.823 0.250 0.000 0.952 535 V HN 0.628 nan 8.190 nan 0.000 0.485 536 W N 3.600 125.033 121.300 0.221 0.000 1.401 536 W HA -0.401 4.262 4.660 0.005 0.000 0.255 536 W C 1.386 177.919 176.519 0.023 0.000 1.582 536 W CA 1.886 59.269 57.345 0.064 0.000 1.965 536 W CB -1.416 28.126 29.460 0.136 0.000 1.231 536 W HN 0.582 nan 8.180 nan 0.000 0.440 537 Y N 1.125 121.517 120.300 0.153 0.000 2.242 537 Y HA 0.063 4.616 4.550 0.005 0.000 0.291 537 Y C 2.658 178.535 175.900 -0.039 0.000 1.137 537 Y CA 2.595 60.662 58.100 -0.054 0.000 1.181 537 Y CB -1.302 37.133 38.460 -0.042 0.000 0.989 537 Y HN 0.260 nan 8.280 nan 0.000 0.527 538 G N -0.885 107.907 108.800 -0.013 0.000 2.985 538 G HA2 -0.015 3.948 3.960 0.005 0.000 0.209 538 G HA3 -0.015 3.948 3.960 0.005 0.000 0.209 538 G C 0.707 175.716 174.900 0.183 0.000 1.165 538 G CA 0.088 45.330 45.100 0.236 0.000 0.776 538 G HN 0.319 nan 8.290 nan 0.000 0.541 539 K N -0.749 119.729 120.400 0.130 0.000 3.193 539 K HA -0.195 4.128 4.320 0.005 0.000 0.294 539 K C 0.271 176.874 176.600 0.006 0.000 1.185 539 K CA 0.804 57.156 56.287 0.109 0.000 0.866 539 K CB -1.020 31.480 32.500 -0.001 0.000 1.227 539 K HN 0.407 nan 8.250 nan 0.000 0.467 540 K N 1.398 121.859 120.400 0.101 0.000 2.355 540 K HA 0.102 4.425 4.320 0.005 0.000 0.270 540 K C -2.075 174.470 176.600 -0.091 0.000 1.003 540 K CA -1.301 55.003 56.287 0.028 0.000 0.957 540 K CB 0.231 32.794 32.500 0.106 0.000 0.939 540 K HN -0.060 nan 8.250 nan 0.000 0.482 541 P HA -0.031 nan 4.420 nan 0.000 0.272 541 P C 0.138 177.378 177.300 -0.099 0.000 1.230 541 P CA -0.014 62.956 63.100 -0.217 0.000 0.788 541 P CB 0.335 31.960 31.700 -0.125 0.000 0.949 542 F N 0.342 120.340 119.950 0.080 0.000 2.250 542 F HA -0.170 4.360 4.527 0.005 0.000 0.301 542 F C 2.153 177.990 175.800 0.062 0.000 1.077 542 F CA 1.597 59.633 58.000 0.059 0.000 1.348 542 F CB -1.242 37.737 39.000 -0.034 0.000 1.040 542 F HN 0.304 nan 8.300 nan 0.000 0.509 543 E N 0.055 120.344 120.200 0.149 0.000 2.267 543 E HA -0.175 4.178 4.350 0.005 0.000 0.197 543 E C 2.288 178.979 176.600 0.152 0.000 0.998 543 E CA 1.257 57.735 56.400 0.131 0.000 0.830 543 E CB -0.610 29.119 29.700 0.048 0.000 0.751 543 E HN 0.409 nan 8.360 nan 0.000 0.491 544 S N 0.146 115.919 115.700 0.121 0.000 2.442 544 S HA -0.122 4.351 4.470 0.005 0.000 0.236 544 S C 1.824 176.479 174.600 0.092 0.000 1.007 544 S CA 0.659 58.924 58.200 0.109 0.000 0.965 544 S CB -0.380 62.884 63.200 0.107 0.000 0.773 544 S HN 0.242 nan 8.310 nan 0.000 0.504 545 L N 1.269 122.557 121.223 0.109 0.000 2.362 545 L HA -0.019 4.324 4.340 0.005 0.000 0.219 545 L C 1.919 178.778 176.870 -0.017 0.000 1.134 545 L CA 0.888 55.742 54.840 0.024 0.000 0.807 545 L CB -0.504 41.561 42.059 0.009 0.000 0.927 545 L HN 0.238 nan 8.230 nan 0.000 0.447 546 D N -0.648 119.775 120.400 0.040 0.000 2.224 546 D HA -0.108 4.535 4.640 0.005 0.000 0.205 546 D C 2.147 178.458 176.300 0.018 0.000 0.965 546 D CA 1.884 55.885 54.000 0.001 0.000 0.852 546 D CB 0.143 40.979 40.800 0.061 0.000 0.947 546 D HN 0.428 nan 8.370 nan 0.000 0.494 547 T N -2.314 112.275 114.554 0.058 0.000 3.018 547 T HA 0.014 4.367 4.350 0.005 0.000 0.246 547 T C 0.696 175.473 174.700 0.128 0.000 1.026 547 T CA -0.125 62.025 62.100 0.084 0.000 1.081 547 T CB 0.148 69.082 68.868 0.110 0.000 0.970 547 T HN -0.249 nan 8.240 nan 0.000 0.475 548 D N 2.356 122.811 120.400 0.092 0.000 2.896 548 D HA 0.380 5.023 4.640 0.005 0.000 0.240 548 D C -0.438 175.767 176.300 -0.159 0.000 1.193 548 D CA -0.117 53.890 54.000 0.012 0.000 0.983 548 D CB -0.225 40.439 40.800 -0.226 0.000 1.074 548 D HN 0.460 nan 8.370 nan 0.000 0.496 549 L N 2.143 123.405 121.223 0.065 0.000 2.371 549 L HA 0.377 4.720 4.340 0.005 0.000 0.272 549 L C -1.864 175.114 176.870 0.180 0.000 1.124 549 L CA -1.437 53.456 54.840 0.090 0.000 0.816 549 L CB 0.855 42.984 42.059 0.116 0.000 1.129 549 L HN 0.012 nan 8.230 nan 0.000 0.448 550 P HA 0.370 nan 4.420 nan 0.000 0.288 550 P C -0.406 176.949 177.300 0.091 0.000 1.297 550 P CA -0.761 62.370 63.100 0.052 0.000 0.864 550 P CB 1.412 33.012 31.700 -0.168 0.000 1.237 551 R N -0.323 120.180 120.500 0.004 0.000 2.193 551 R HA 0.233 4.576 4.340 0.005 0.000 0.213 551 R C 0.217 176.605 176.300 0.146 0.000 1.055 551 R CA 0.682 56.748 56.100 -0.056 0.000 0.995 551 R CB -0.791 29.496 30.300 -0.021 0.000 0.893 551 R HN 0.580 nan 8.270 nan 0.000 0.459 552 F N -0.286 119.638 119.950 -0.044 0.000 2.651 552 F HA 0.268 4.798 4.527 0.004 0.000 0.327 552 F C -1.356 174.375 175.800 -0.115 0.000 1.133 552 F CA -1.150 56.835 58.000 -0.024 0.000 1.076 552 F CB 1.269 40.389 39.000 0.199 0.000 1.315 552 F HN -0.242 nan 8.300 nan 0.000 0.499 553 M N 5.278 124.695 119.600 -0.304 0.000 2.111 553 M HA 0.264 4.747 4.480 0.005 0.000 0.351 553 M C 0.315 176.632 176.300 0.029 0.000 1.214 553 M CA 0.182 55.347 55.300 -0.225 0.000 1.120 553 M CB 0.731 32.964 32.600 -0.612 0.000 1.443 553 M HN 0.517 nan 8.290 nan 0.000 0.429 554 S N 2.292 118.123 115.700 0.218 0.000 2.528 554 S HA 0.283 4.756 4.470 0.005 0.000 0.219 554 S C 0.069 174.575 174.600 -0.157 0.000 0.985 554 S CA -0.094 58.172 58.200 0.109 0.000 0.914 554 S CB -0.134 63.103 63.200 0.061 0.000 0.776 554 S HN 0.739 nan 8.310 nan 0.000 0.526 555 E N 0.027 120.118 120.200 -0.181 0.000 2.335 555 E HA 0.585 4.938 4.350 0.005 0.000 0.280 555 E C -1.574 174.891 176.600 -0.225 0.000 0.918 555 E CA -0.797 55.472 56.400 -0.218 0.000 0.765 555 E CB 2.346 31.798 29.700 -0.413 0.000 1.218 555 E HN 0.434 nan 8.360 nan 0.000 0.425 556 F N -0.490 119.146 119.950 -0.523 0.000 2.719 556 F HA 0.858 5.388 4.527 0.005 0.000 0.309 556 F C -0.630 174.824 175.800 -0.577 0.000 1.138 556 F CA -0.593 56.889 58.000 -0.864 0.000 0.943 556 F CB 1.670 40.424 39.000 -0.410 0.000 1.304 556 F HN 0.571 nan 8.300 nan 0.000 0.445 557 G N 0.757 109.066 108.800 -0.818 0.000 2.506 557 G HA2 0.570 4.533 3.960 0.005 0.000 0.292 557 G HA3 0.570 4.533 3.960 0.005 0.000 0.292 557 G C -2.804 172.301 174.900 0.343 0.000 1.425 557 G CA -0.837 44.116 45.100 -0.245 0.000 0.788 557 G HN 1.116 nan 8.290 nan 0.000 0.490 558 F N 0.043 120.137 119.950 0.240 0.000 2.635 558 F HA 0.538 5.068 4.527 0.005 0.000 0.314 558 F C -0.297 175.355 175.800 -0.246 0.000 1.119 558 F CA -0.677 57.384 58.000 0.101 0.000 1.000 558 F CB 1.964 41.072 39.000 0.179 0.000 1.278 558 F HN 0.553 nan 8.300 nan 0.000 0.446 559 Q N 2.415 121.262 119.800 -1.589 0.000 2.256 559 Q HA 0.684 5.027 4.340 0.005 0.000 0.232 559 Q C -0.913 174.674 176.000 -0.688 0.000 0.965 559 Q CA -0.616 54.379 55.803 -1.346 0.000 0.908 559 Q CB 1.851 29.421 28.738 -1.947 0.000 1.209 559 Q HN 0.692 nan 8.270 nan 0.000 0.489 560 S N -0.129 115.272 115.700 -0.499 0.000 2.537 560 S HA 0.507 4.980 4.470 0.005 0.000 0.270 560 S C -0.847 173.616 174.600 -0.228 0.000 1.142 560 S CA -0.889 57.161 58.200 -0.250 0.000 0.870 560 S CB 0.512 63.595 63.200 -0.196 0.000 1.112 560 S HN 0.410 nan 8.310 nan 0.000 0.466 561 F N 3.025 122.873 119.950 -0.170 0.000 2.602 561 F HA 0.305 4.835 4.527 0.005 0.000 0.367 561 F C -1.377 174.354 175.800 -0.114 0.000 1.126 561 F CA -0.676 57.268 58.000 -0.093 0.000 1.321 561 F CB 0.539 39.513 39.000 -0.042 0.000 1.094 561 F HN 0.433 nan 8.300 nan 0.000 0.594 562 P HA 0.071 nan 4.420 nan 0.000 0.274 562 P C -0.962 176.403 177.300 0.109 0.000 1.256 562 P CA -0.577 62.565 63.100 0.071 0.000 0.795 562 P CB 0.552 32.318 31.700 0.109 0.000 1.038 563 E N 0.449 120.713 120.200 0.107 0.000 2.410 563 E HA 0.042 4.395 4.350 0.005 0.000 0.255 563 E C 1.145 177.826 176.600 0.135 0.000 1.194 563 E CA -0.604 55.880 56.400 0.140 0.000 0.955 563 E CB 0.096 29.949 29.700 0.255 0.000 0.988 563 E HN 0.157 nan 8.360 nan 0.000 0.461 564 M N 1.227 120.898 119.600 0.119 0.000 2.144 564 M HA -0.196 4.287 4.480 0.005 0.000 0.260 564 M C 2.024 178.359 176.300 0.057 0.000 1.067 564 M CA 2.132 57.460 55.300 0.047 0.000 1.095 564 M CB -1.369 31.251 32.600 0.034 0.000 1.365 564 M HN 0.680 nan 8.290 nan 0.000 0.406 565 K N -1.028 119.428 120.400 0.092 0.000 2.147 565 K HA -0.072 4.251 4.320 0.005 0.000 0.205 565 K C 1.678 178.309 176.600 0.053 0.000 1.049 565 K CA 1.699 58.022 56.287 0.061 0.000 0.936 565 K CB -0.711 31.823 32.500 0.056 0.000 0.722 565 K HN 0.185 nan 8.250 nan 0.000 0.446 566 T N 1.863 116.498 114.554 0.134 0.000 2.851 566 T HA 0.073 4.426 4.350 0.005 0.000 0.262 566 T C 1.931 176.743 174.700 0.187 0.000 1.043 566 T CA 0.881 63.133 62.100 0.255 0.000 1.140 566 T CB -0.147 68.949 68.868 0.381 0.000 0.872 566 T HN 0.154 nan 8.240 nan 0.000 0.446 567 I N 1.654 122.232 120.570 0.013 0.000 2.208 567 I HA -0.207 3.966 4.170 0.005 0.000 0.245 567 I C 2.898 178.736 176.117 -0.465 0.000 1.097 567 I CA 1.145 62.190 61.300 -0.426 0.000 1.363 567 I CB -0.477 37.364 38.000 -0.264 0.000 1.051 567 I HN 0.187 nan 8.210 nan 0.000 0.413 568 A N 0.685 123.443 122.820 -0.105 0.000 2.076 568 A HA -0.145 4.178 4.320 0.005 0.000 0.220 568 A C 2.452 180.077 177.584 0.069 0.000 1.160 568 A CA 1.739 53.794 52.037 0.029 0.000 0.653 568 A CB -0.640 18.410 19.000 0.084 0.000 0.801 568 A HN 0.467 nan 8.150 nan 0.000 0.455 569 A N -0.927 121.947 122.820 0.091 0.000 2.066 569 A HA 0.206 4.530 4.320 0.005 0.000 0.218 569 A C 1.530 179.377 177.584 0.439 0.000 1.157 569 A CA 1.296 53.492 52.037 0.265 0.000 0.670 569 A CB -0.529 18.647 19.000 0.293 0.000 0.804 569 A HN 1.140 nan 8.150 nan 0.000 0.453 570 F N -3.830 116.184 119.950 0.105 0.000 2.798 570 F HA 0.761 5.291 4.527 0.005 0.000 0.328 570 F C 0.170 175.579 175.800 -0.652 0.000 1.098 570 F CA -0.481 57.389 58.000 -0.215 0.000 1.172 570 F CB -0.075 38.702 39.000 -0.371 0.000 1.072 570 F HN 0.181 nan 8.300 nan 0.000 0.555 571 A N 1.031 123.525 122.820 -0.543 0.000 2.572 571 A HA 0.871 5.194 4.320 0.005 0.000 0.295 571 A C -0.893 176.660 177.584 -0.052 0.000 1.072 571 A CA -0.445 51.359 52.037 -0.388 0.000 0.691 571 A CB 0.790 19.521 19.000 -0.448 0.000 1.291 571 A HN 0.600 nan 8.150 nan 0.000 0.404 572 A N 1.528 124.326 122.820 -0.037 0.000 2.279 572 A HA 0.752 5.075 4.320 0.005 0.000 0.303 572 A C -1.868 175.393 177.584 -0.538 0.000 1.108 572 A CA -1.697 50.269 52.037 -0.119 0.000 0.830 572 A CB 0.099 19.086 19.000 -0.021 0.000 1.106 572 A HN 0.477 nan 8.150 nan 0.000 0.493 573 P HA -0.176 nan 4.420 nan 0.000 0.217 573 P C 0.595 177.415 177.300 -0.799 0.000 1.148 573 P CA 1.611 63.908 63.100 -1.337 0.000 0.828 573 P CB 0.129 31.410 31.700 -0.699 0.000 0.783 574 E N -0.732 119.221 120.200 -0.412 0.000 2.333 574 E HA -0.150 4.203 4.350 0.005 0.000 0.198 574 E C 1.102 177.579 176.600 -0.204 0.000 1.007 574 E CA 0.991 57.249 56.400 -0.237 0.000 0.845 574 E CB -0.729 28.890 29.700 -0.134 0.000 0.766 574 E HN 0.380 nan 8.360 nan 0.000 0.507 575 D N -0.513 119.744 120.400 -0.237 0.000 2.349 575 D HA -0.041 4.602 4.640 0.005 0.000 0.214 575 D C -0.183 176.022 176.300 -0.158 0.000 1.063 575 D CA 0.113 54.035 54.000 -0.129 0.000 0.847 575 D CB 0.142 40.900 40.800 -0.070 0.000 0.933 575 D HN 0.202 nan 8.370 nan 0.000 0.513 576 Y N 2.049 122.025 120.300 -0.540 0.000 2.937 576 Y HA 0.247 4.800 4.550 0.005 0.000 0.364 576 Y C 0.166 175.479 175.900 -0.979 0.000 1.164 576 Y CA -0.222 57.163 58.100 -1.191 0.000 2.025 576 Y CB -1.103 36.766 38.460 -0.984 0.000 2.155 576 Y HN -0.098 nan 8.280 nan 0.000 0.409 577 Q N -0.228 119.296 119.800 -0.461 0.000 2.345 577 Q HA 0.346 4.689 4.340 0.005 0.000 0.275 577 Q C 1.099 177.098 176.000 -0.002 0.000 1.063 577 Q CA -0.627 55.086 55.803 -0.149 0.000 0.819 577 Q CB 1.895 30.587 28.738 -0.076 0.000 1.356 577 Q HN 0.463 nan 8.270 nan 0.000 0.418 578 I N -2.265 118.331 120.570 0.043 0.000 2.614 578 I HA -0.068 4.105 4.170 0.005 0.000 0.258 578 I C 0.305 176.565 176.117 0.238 0.000 1.189 578 I CA 1.364 62.762 61.300 0.164 0.000 1.462 578 I CB 0.205 38.139 38.000 -0.110 0.000 1.092 578 I HN 0.561 nan 8.210 nan 0.000 0.442 579 E N 1.826 122.093 120.200 0.112 0.000 2.685 579 E HA 0.156 4.509 4.350 0.005 0.000 0.208 579 E C 0.375 177.021 176.600 0.076 0.000 0.996 579 E CA -0.197 56.264 56.400 0.101 0.000 1.054 579 E CB 0.514 30.252 29.700 0.064 0.000 1.075 579 E HN 0.602 nan 8.360 nan 0.000 0.460 580 S N -0.034 115.711 115.700 0.075 0.000 2.589 580 S HA 0.010 4.483 4.470 0.005 0.000 0.265 580 S C 1.221 175.869 174.600 0.081 0.000 1.342 580 S CA -0.367 57.864 58.200 0.052 0.000 1.005 580 S CB 1.728 64.940 63.200 0.019 0.000 0.909 580 S HN 0.304 nan 8.310 nan 0.000 0.555 581 E N 0.420 120.660 120.200 0.067 0.000 2.085 581 E HA -0.148 4.205 4.350 0.005 0.000 0.194 581 E C 1.719 178.393 176.600 0.123 0.000 0.994 581 E CA 1.593 58.041 56.400 0.081 0.000 0.801 581 E CB -0.224 29.516 29.700 0.068 0.000 0.743 581 E HN 0.591 nan 8.360 nan 0.000 0.453 582 V N 0.881 120.877 119.914 0.138 0.000 2.307 582 V HA -0.270 3.853 4.120 0.005 0.000 0.245 582 V C 2.423 178.708 176.094 0.317 0.000 1.045 582 V CA 1.498 63.930 62.300 0.219 0.000 1.024 582 V CB -0.363 31.547 31.823 0.145 0.000 0.651 582 V HN 0.392 nan 8.190 nan 0.000 0.449 583 M N 0.230 119.993 119.600 0.271 0.000 2.159 583 M HA -0.137 4.346 4.480 0.005 0.000 0.263 583 M C 1.971 178.402 176.300 0.217 0.000 1.063 583 M CA 1.545 57.049 55.300 0.340 0.000 1.110 583 M CB -1.683 31.179 32.600 0.436 0.000 1.374 583 M HN 0.372 nan 8.290 nan 0.000 0.411 584 N N 0.756 119.554 118.700 0.163 0.000 2.244 584 N HA -0.006 4.737 4.740 0.005 0.000 0.183 584 N C 1.659 177.215 175.510 0.076 0.000 1.016 584 N CA 1.409 54.517 53.050 0.096 0.000 0.866 584 N CB -0.323 38.211 38.487 0.078 0.000 0.980 584 N HN 0.373 nan 8.380 nan 0.000 0.430 585 A N -0.193 122.701 122.820 0.122 0.000 2.121 585 A HA -0.090 4.233 4.320 0.005 0.000 0.218 585 A C 0.696 178.247 177.584 -0.054 0.000 1.154 585 A CA 1.136 53.218 52.037 0.076 0.000 0.679 585 A CB -0.447 18.632 19.000 0.132 0.000 0.795 585 A HN 0.333 nan 8.150 nan 0.000 0.458 586 H N -1.686 117.331 119.070 -0.088 0.000 2.469 586 H HA 0.406 4.965 4.556 0.005 0.000 0.286 586 H C -0.244 174.880 175.328 -0.340 0.000 1.106 586 H CA 0.087 55.903 56.048 -0.387 0.000 1.055 586 H CB 0.265 29.493 29.762 -0.889 0.000 1.618 586 H HN 0.477 nan 8.280 nan 0.000 0.559 587 Q N 0.818 120.562 119.800 -0.094 0.000 2.304 587 Q HA 0.317 4.660 4.340 0.005 0.000 0.270 587 Q C -0.350 175.638 176.000 -0.019 0.000 1.035 587 Q CA -0.659 55.071 55.803 -0.120 0.000 0.781 587 Q CB 1.092 29.759 28.738 -0.117 0.000 1.261 587 Q HN -0.097 nan 8.270 nan 0.000 0.444 588 K N 1.698 122.109 120.400 0.019 0.000 2.438 588 K HA 0.232 4.555 4.320 0.005 0.000 0.206 588 K C -0.039 176.635 176.600 0.123 0.000 1.081 588 K CA -0.076 56.267 56.287 0.093 0.000 1.053 588 K CB 1.132 33.761 32.500 0.214 0.000 0.908 588 K HN 0.565 nan 8.250 nan 0.000 0.556 589 S N 1.046 116.820 115.700 0.125 0.000 2.603 589 S HA 0.071 4.544 4.470 0.005 0.000 0.268 589 S C 1.424 176.159 174.600 0.225 0.000 1.317 589 S CA 0.026 58.400 58.200 0.290 0.000 1.012 589 S CB 1.006 64.412 63.200 0.343 0.000 0.926 589 S HN 0.349 nan 8.310 nan 0.000 0.539 590 S N 2.503 118.375 115.700 0.286 0.000 2.474 590 S HA 0.078 4.551 4.470 0.005 0.000 0.235 590 S C 0.414 175.104 174.600 0.150 0.000 0.997 590 S CA 0.389 58.689 58.200 0.166 0.000 0.949 590 S CB -0.811 62.459 63.200 0.117 0.000 0.766 590 S HN 0.610 nan 8.310 nan 0.000 0.517 591 I N 0.494 121.181 120.570 0.195 0.000 2.545 591 I HA 0.736 4.909 4.170 0.005 0.000 0.292 591 I C 0.696 176.841 176.117 0.047 0.000 1.040 591 I CA -1.054 60.256 61.300 0.016 0.000 1.068 591 I CB 1.939 39.797 38.000 -0.237 0.000 1.251 591 I HN 0.089 nan 8.210 nan 0.000 0.424 592 G N 2.384 111.188 108.800 0.007 0.000 2.857 592 G HA2 0.205 4.168 3.960 0.005 0.000 0.217 592 G HA3 0.205 4.168 3.960 0.005 0.000 0.217 592 G C 0.411 175.358 174.900 0.080 0.000 1.357 592 G CA -0.429 44.704 45.100 0.055 0.000 1.033 592 G HN 0.580 nan 8.290 nan 0.000 0.571 593 N N 0.452 119.212 118.700 0.100 0.000 2.223 593 N HA -0.163 4.580 4.740 0.005 0.000 0.185 593 N C 2.555 178.212 175.510 0.245 0.000 1.016 593 N CA 1.592 54.764 53.050 0.203 0.000 0.863 593 N CB -0.315 38.353 38.487 0.302 0.000 0.983 593 N HN 0.463 nan 8.380 nan 0.000 0.429 594 S N 0.775 116.561 115.700 0.144 0.000 2.400 594 S HA -0.113 4.360 4.470 0.005 0.000 0.232 594 S C 1.936 176.612 174.600 0.127 0.000 1.025 594 S CA 0.578 58.850 58.200 0.120 0.000 0.993 594 S CB -0.544 62.694 63.200 0.063 0.000 0.808 594 S HN 0.217 nan 8.310 nan 0.000 0.478 595 L N 1.347 122.598 121.223 0.047 0.000 2.131 595 L HA 0.156 4.499 4.340 0.005 0.000 0.210 595 L C 2.113 179.120 176.870 0.227 0.000 1.092 595 L CA 1.303 56.140 54.840 -0.006 0.000 0.759 595 L CB -0.561 41.224 42.059 -0.458 0.000 0.903 595 L HN 0.372 nan 8.230 nan 0.000 0.435 596 I N -0.894 119.859 120.570 0.305 0.000 2.179 596 I HA -0.304 3.869 4.170 0.005 0.000 0.242 596 I C 2.708 179.108 176.117 0.471 0.000 1.088 596 I CA 1.369 62.942 61.300 0.455 0.000 1.357 596 I CB -0.381 37.900 38.000 0.469 0.000 1.051 596 I HN 0.268 nan 8.210 nan 0.000 0.409 597 R N 0.504 121.299 120.500 0.493 0.000 2.091 597 R HA -0.175 4.168 4.340 0.005 0.000 0.238 597 R C 2.277 178.751 176.300 0.290 0.000 1.136 597 R CA 2.141 58.510 56.100 0.448 0.000 0.959 597 R CB -0.313 30.188 30.300 0.335 0.000 0.856 597 R HN 0.283 nan 8.270 nan 0.000 0.437 598 T N 0.026 114.726 114.554 0.244 0.000 2.652 598 T HA -0.186 4.167 4.350 0.005 0.000 0.267 598 T C 1.463 176.259 174.700 0.159 0.000 1.039 598 T CA 1.718 63.910 62.100 0.153 0.000 1.153 598 T CB -0.448 68.477 68.868 0.096 0.000 0.863 598 T HN 0.312 nan 8.240 nan 0.000 0.428 599 Y N 0.680 121.063 120.300 0.139 0.000 2.224 599 Y HA -0.017 4.536 4.550 0.005 0.000 0.289 599 Y C 2.560 178.540 175.900 0.133 0.000 1.146 599 Y CA 1.087 59.259 58.100 0.121 0.000 1.182 599 Y CB -0.402 38.197 38.460 0.232 0.000 0.983 599 Y HN 0.141 nan 8.280 nan 0.000 0.524 600 M N -0.171 119.623 119.600 0.324 0.000 2.108 600 M HA -0.241 4.242 4.480 0.005 0.000 0.261 600 M C 2.269 178.691 176.300 0.204 0.000 1.066 600 M CA 1.810 57.244 55.300 0.224 0.000 1.107 600 M CB -0.158 32.476 32.600 0.057 0.000 1.356 600 M HN 0.185 nan 8.290 nan 0.000 0.406 601 E N 0.611 120.898 120.200 0.146 0.000 2.204 601 E HA -0.209 4.144 4.350 0.005 0.000 0.195 601 E C 1.777 178.392 176.600 0.024 0.000 0.990 601 E CA 1.174 57.620 56.400 0.078 0.000 0.821 601 E CB -0.066 29.673 29.700 0.064 0.000 0.750 601 E HN 0.593 nan 8.360 nan 0.000 0.477 602 R N 0.014 120.524 120.500 0.016 0.000 2.148 602 R HA -0.066 4.277 4.340 0.005 0.000 0.227 602 R C 1.302 177.558 176.300 -0.074 0.000 1.103 602 R CA 1.362 57.437 56.100 -0.042 0.000 0.983 602 R CB 0.128 30.380 30.300 -0.080 0.000 0.874 602 R HN 0.129 nan 8.270 nan 0.000 0.451 603 D N -2.208 118.147 120.400 -0.075 0.000 2.480 603 D HA 0.100 4.743 4.640 0.005 0.000 0.243 603 D C -0.527 175.382 176.300 -0.652 0.000 1.120 603 D CA 0.429 54.234 54.000 -0.325 0.000 0.835 603 D CB 0.822 41.424 40.800 -0.330 0.000 1.204 603 D HN 0.009 nan 8.370 nan 0.000 0.513 604 Y N 0.185 120.431 120.300 -0.090 0.000 2.553 604 Y HA 0.430 4.982 4.550 0.005 0.000 0.347 604 Y C 0.170 176.002 175.900 -0.113 0.000 1.019 604 Y CA -0.962 57.070 58.100 -0.113 0.000 1.032 604 Y CB 1.710 40.090 38.460 -0.134 0.000 1.284 604 Y HN -0.326 nan 8.280 nan 0.000 0.466 605 I N 3.963 124.532 120.570 -0.001 0.000 2.598 605 I HA 0.014 4.187 4.170 0.005 0.000 0.284 605 I C -0.428 175.709 176.117 0.034 0.000 1.140 605 I CA -0.024 61.220 61.300 -0.093 0.000 1.420 605 I CB 0.207 37.949 38.000 -0.430 0.000 1.387 605 I HN 0.295 nan 8.210 nan 0.000 0.553 606 I N 9.020 129.622 120.570 0.053 0.000 2.436 606 I HA 0.174 4.347 4.170 0.005 0.000 0.289 606 I C -1.860 174.337 176.117 0.133 0.000 1.083 606 I CA -2.344 59.027 61.300 0.118 0.000 1.372 606 I CB -0.567 37.528 38.000 0.158 0.000 1.408 606 I HN 0.254 nan 8.210 nan 0.000 0.516 607 P HA 0.151 nan 4.420 nan 0.000 0.269 607 P C 0.690 178.077 177.300 0.145 0.000 1.209 607 P CA -0.245 62.948 63.100 0.155 0.000 0.776 607 P CB 0.904 32.685 31.700 0.136 0.000 0.876 608 E N 0.034 120.303 120.200 0.114 0.000 2.152 608 E HA -0.055 4.298 4.350 0.005 0.000 0.192 608 E C 0.598 177.252 176.600 0.091 0.000 0.983 608 E CA 0.767 57.220 56.400 0.088 0.000 0.818 608 E CB 0.038 29.781 29.700 0.071 0.000 0.758 608 E HN 0.532 nan 8.360 nan 0.000 0.467 609 S N -0.657 115.103 115.700 0.101 0.000 2.585 609 S HA 0.122 4.595 4.470 0.005 0.000 0.277 609 S C 0.598 175.283 174.600 0.142 0.000 1.241 609 S CA -0.859 57.411 58.200 0.117 0.000 1.041 609 S CB 1.294 64.554 63.200 0.100 0.000 0.987 609 S HN 0.161 nan 8.310 nan 0.000 0.512 610 F N 2.622 122.578 119.950 0.009 0.000 2.102 610 F HA -0.082 4.448 4.527 0.005 0.000 0.298 610 F C 2.475 178.253 175.800 -0.037 0.000 1.105 610 F CA 2.219 60.185 58.000 -0.056 0.000 1.239 610 F CB -0.472 38.476 39.000 -0.088 0.000 0.991 610 F HN 0.936 nan 8.300 nan 0.000 0.474 611 E N -0.602 119.630 120.200 0.053 0.000 2.110 611 E HA -0.246 4.107 4.350 0.005 0.000 0.193 611 E C 1.546 178.133 176.600 -0.022 0.000 0.988 611 E CA 1.683 58.059 56.400 -0.040 0.000 0.804 611 E CB -0.647 29.084 29.700 0.052 0.000 0.745 611 E HN 0.359 nan 8.360 nan 0.000 0.458 612 D N 0.284 120.705 120.400 0.035 0.000 2.144 612 D HA -0.111 4.532 4.640 0.005 0.000 0.200 612 D C 1.565 177.881 176.300 0.026 0.000 0.978 612 D CA 0.756 54.813 54.000 0.095 0.000 0.833 612 D CB -0.431 40.428 40.800 0.098 0.000 0.961 612 D HN 0.239 nan 8.370 nan 0.000 0.470 613 F N 1.252 121.082 119.950 -0.201 0.000 2.095 613 F HA -0.238 4.292 4.527 0.005 0.000 0.298 613 F C 2.152 177.710 175.800 -0.405 0.000 1.104 613 F CA 1.135 58.952 58.000 -0.306 0.000 1.232 613 F CB -0.182 38.589 39.000 -0.381 0.000 0.987 613 F HN -0.206 nan 8.300 nan 0.000 0.475 614 V N -0.116 119.586 119.914 -0.354 0.000 2.295 614 V HA -0.322 3.801 4.120 0.005 0.000 0.246 614 V C 2.095 178.036 176.094 -0.255 0.000 1.049 614 V CA 2.178 64.249 62.300 -0.382 0.000 1.024 614 V CB -1.191 30.366 31.823 -0.444 0.000 0.648 614 V HN 0.605 nan 8.190 nan 0.000 0.447 615 Y N 1.036 121.197 120.300 -0.231 0.000 2.128 615 Y HA -0.238 4.315 4.550 0.005 0.000 0.284 615 Y C 2.315 178.048 175.900 -0.278 0.000 1.154 615 Y CA 2.032 60.034 58.100 -0.163 0.000 1.149 615 Y CB -0.733 37.719 38.460 -0.013 0.000 0.976 615 Y HN 0.051 nan 8.280 nan 0.000 0.505 616 V N 0.665 120.063 119.914 -0.861 0.000 2.515 616 V HA -0.202 3.921 4.120 0.005 0.000 0.250 616 V C 2.631 178.176 176.094 -0.915 0.000 1.058 616 V CA 1.763 63.429 62.300 -1.057 0.000 1.064 616 V CB -1.505 29.846 31.823 -0.787 0.000 0.675 616 V HN 0.661 nan 8.190 nan 0.000 0.461 617 G N -0.140 108.196 108.800 -0.773 0.000 2.422 617 G HA2 -0.187 3.776 3.960 0.005 0.000 0.218 617 G HA3 -0.187 3.776 3.960 0.005 0.000 0.218 617 G C 1.573 176.207 174.900 -0.442 0.000 1.146 617 G CA 0.793 45.548 45.100 -0.574 0.000 0.769 617 G HN 0.465 nan 8.290 nan 0.000 0.547 618 L N 0.209 121.141 121.223 -0.485 0.000 2.017 618 L HA -0.103 4.240 4.340 0.005 0.000 0.208 618 L C 3.012 179.479 176.870 -0.671 0.000 1.073 618 L CA 0.596 55.096 54.840 -0.567 0.000 0.745 618 L CB -0.634 41.025 42.059 -0.666 0.000 0.894 618 L HN 0.080 nan 8.230 nan 0.000 0.432 619 V N 0.055 119.555 119.914 -0.689 0.000 2.287 619 V HA -0.321 3.802 4.120 0.005 0.000 0.248 619 V C 2.439 178.216 176.094 -0.529 0.000 1.053 619 V CA 1.943 63.883 62.300 -0.599 0.000 1.027 619 V CB -0.532 30.898 31.823 -0.654 0.000 0.646 619 V HN 0.352 nan 8.190 nan 0.000 0.447 620 L N 0.118 120.974 121.223 -0.612 0.000 1.990 620 L HA -0.265 4.078 4.340 0.005 0.000 0.213 620 L C 2.543 179.165 176.870 -0.413 0.000 1.072 620 L CA 2.573 57.163 54.840 -0.418 0.000 0.755 620 L CB -0.850 41.002 42.059 -0.344 0.000 0.889 620 L HN 0.440 nan 8.230 nan 0.000 0.432 621 Q N -0.951 118.666 119.800 -0.306 0.000 2.084 621 Q HA -0.153 4.190 4.340 0.005 0.000 0.202 621 Q C 2.028 177.785 176.000 -0.404 0.000 0.978 621 Q CA 1.658 57.337 55.803 -0.205 0.000 0.844 621 Q CB -0.448 28.242 28.738 -0.080 0.000 0.898 621 Q HN 0.665 nan 8.270 nan 0.000 0.426 622 G N 0.469 109.007 108.800 -0.437 0.000 2.404 622 G HA2 -0.252 3.711 3.960 0.005 0.000 0.215 622 G HA3 -0.252 3.711 3.960 0.005 0.000 0.215 622 G C 1.389 176.045 174.900 -0.406 0.000 1.174 622 G CA 0.496 45.339 45.100 -0.428 0.000 0.780 622 G HN 0.289 nan 8.290 nan 0.000 0.537 623 Q N 0.405 119.963 119.800 -0.403 0.000 2.079 623 Q HA -0.046 4.297 4.340 0.005 0.000 0.200 623 Q C 2.834 178.518 176.000 -0.526 0.000 0.974 623 Q CA 1.462 57.049 55.803 -0.360 0.000 0.840 623 Q CB -0.787 27.800 28.738 -0.250 0.000 0.898 623 Q HN 0.443 nan 8.270 nan 0.000 0.430 624 G N 0.703 108.912 108.800 -0.984 0.000 2.404 624 G HA2 -0.211 3.752 3.960 0.005 0.000 0.215 624 G HA3 -0.211 3.752 3.960 0.005 0.000 0.215 624 G C 1.471 175.846 174.900 -0.875 0.000 1.174 624 G CA 0.609 44.575 45.100 -1.890 0.000 0.780 624 G HN 0.147 nan 8.290 nan 0.000 0.537 625 M N 0.481 119.717 119.600 -0.607 0.000 2.132 625 M HA 0.023 4.506 4.480 0.005 0.000 0.263 625 M C 2.460 178.646 176.300 -0.190 0.000 1.065 625 M CA 0.840 55.982 55.300 -0.262 0.000 1.122 625 M CB -0.964 31.389 32.600 -0.412 0.000 1.365 625 M HN 0.244 nan 8.290 nan 0.000 0.411 626 R N -0.188 120.140 120.500 -0.287 0.000 2.105 626 R HA -0.228 4.115 4.340 0.005 0.000 0.239 626 R C 1.918 178.133 176.300 -0.142 0.000 1.135 626 R CA 2.002 57.963 56.100 -0.233 0.000 0.967 626 R CB -0.920 29.242 30.300 -0.230 0.000 0.861 626 R HN 0.427 nan 8.270 nan 0.000 0.442 627 H N -0.675 118.270 119.070 -0.208 0.000 2.387 627 H HA -0.034 4.525 4.556 0.005 0.000 0.299 627 H C 1.836 177.062 175.328 -0.170 0.000 1.099 627 H CA 2.323 58.279 56.048 -0.152 0.000 1.315 627 H CB -0.469 29.218 29.762 -0.125 0.000 1.380 627 H HN 0.413 nan 8.280 nan 0.000 0.513 628 G N -0.088 108.659 108.800 -0.090 0.000 2.394 628 G HA2 -0.161 3.802 3.960 0.005 0.000 0.215 628 G HA3 -0.161 3.802 3.960 0.005 0.000 0.215 628 G C 1.702 176.168 174.900 -0.724 0.000 1.165 628 G CA 0.702 45.567 45.100 -0.393 0.000 0.784 628 G HN 0.385 nan 8.290 nan 0.000 0.535 629 L N 0.190 121.288 121.223 -0.208 0.000 2.042 629 L HA -0.085 4.258 4.340 0.005 0.000 0.210 629 L C 2.870 179.661 176.870 -0.132 0.000 1.076 629 L CA 1.345 56.159 54.840 -0.043 0.000 0.749 629 L CB -0.446 41.599 42.059 -0.023 0.000 0.893 629 L HN 0.283 nan 8.230 nan 0.000 0.432 630 E N 0.203 120.270 120.200 -0.221 0.000 2.051 630 E HA -0.225 4.129 4.350 0.005 0.000 0.192 630 E C 2.345 178.772 176.600 -0.289 0.000 0.991 630 E CA 1.161 57.425 56.400 -0.227 0.000 0.799 630 E CB -0.221 29.338 29.700 -0.235 0.000 0.748 630 E HN 0.500 nan 8.360 nan 0.000 0.449 631 A N 1.021 123.592 122.820 -0.416 0.000 1.908 631 A HA -0.254 4.069 4.320 0.005 0.000 0.218 631 A C 1.716 179.200 177.584 -0.167 0.000 1.181 631 A CA 1.826 53.652 52.037 -0.352 0.000 0.627 631 A CB -0.926 17.840 19.000 -0.390 0.000 0.818 631 A HN 0.349 nan 8.150 nan 0.000 0.445 632 H N -1.144 117.869 119.070 -0.096 0.000 2.326 632 H HA -0.035 4.524 4.556 0.005 0.000 0.301 632 H C 2.498 177.889 175.328 0.105 0.000 1.081 632 H CA 1.236 57.311 56.048 0.045 0.000 1.334 632 H CB -0.031 29.774 29.762 0.072 0.000 1.385 632 H HN 0.390 nan 8.280 nan 0.000 0.504 633 R N 0.583 121.079 120.500 -0.007 0.000 2.092 633 R HA -0.092 4.251 4.340 0.005 0.000 0.231 633 R C 2.435 178.569 176.300 -0.277 0.000 1.119 633 R CA 0.953 56.767 56.100 -0.477 0.000 0.970 633 R CB -0.153 29.883 30.300 -0.440 0.000 0.864 633 R HN 0.261 nan 8.270 nan 0.000 0.440 634 R N 0.913 121.290 120.500 -0.204 0.000 2.120 634 R HA -0.054 4.289 4.340 0.005 0.000 0.234 634 R C 0.917 177.113 176.300 -0.175 0.000 1.123 634 R CA 1.241 57.185 56.100 -0.261 0.000 0.975 634 R CB 0.027 30.062 30.300 -0.440 0.000 0.866 634 R HN 0.196 nan 8.270 nan 0.000 0.446 635 N N 1.100 119.763 118.700 -0.062 0.000 2.322 635 N HA -0.043 4.700 4.740 0.005 0.000 0.216 635 N C -0.342 175.272 175.510 0.174 0.000 1.144 635 N CA -0.036 53.044 53.050 0.051 0.000 0.830 635 N CB 0.251 38.784 38.487 0.076 0.000 1.034 635 N HN 0.193 nan 8.380 nan 0.000 0.484 636 R N 2.399 122.984 120.500 0.140 0.000 2.590 636 R HA 0.055 4.398 4.340 0.005 0.000 0.274 636 R C -1.494 174.896 176.300 0.150 0.000 1.061 636 R CA -0.731 55.487 56.100 0.197 0.000 1.081 636 R CB 0.711 31.086 30.300 0.125 0.000 0.984 636 R HN 0.022 nan 8.270 nan 0.000 0.448 637 P HA -0.045 nan 4.420 nan 0.000 0.261 637 P C 0.517 177.909 177.300 0.154 0.000 1.268 637 P CA 0.254 63.435 63.100 0.134 0.000 0.833 637 P CB 0.005 31.735 31.700 0.050 0.000 1.231 638 Y N 1.073 121.432 120.300 0.099 0.000 2.114 638 Y HA -0.173 4.380 4.550 0.004 0.000 0.282 638 Y C 1.227 177.203 175.900 0.127 0.000 1.165 638 Y CA 1.319 59.483 58.100 0.107 0.000 1.148 638 Y CB -0.630 37.890 38.460 0.100 0.000 0.972 638 Y HN 0.034 nan 8.280 nan 0.000 0.504 639 C N 2.096 121.570 119.300 0.291 0.000 2.350 639 C HA 0.397 4.860 4.460 0.005 0.000 0.348 639 C C 0.609 175.725 174.990 0.209 0.000 1.260 639 C CA -0.744 58.391 59.018 0.196 0.000 1.966 639 C CB -0.043 27.858 27.740 0.268 0.000 2.380 639 C HN 0.611 nan 8.230 nan 0.000 0.535 640 M N 4.641 124.213 119.600 -0.048 0.000 2.414 640 M HA 0.322 4.806 4.480 0.005 0.000 0.357 640 M C 0.418 176.103 176.300 -1.024 0.000 1.059 640 M CA 0.170 55.333 55.300 -0.228 0.000 0.959 640 M CB 0.058 32.736 32.600 0.129 0.000 1.522 640 M HN 0.991 nan 8.290 nan 0.000 0.551 641 G N -0.343 107.527 108.800 -1.550 0.000 2.387 641 G HA2 0.387 4.350 3.960 0.005 0.000 0.294 641 G HA3 0.387 4.350 3.960 0.005 0.000 0.294 641 G C -1.669 172.433 174.900 -1.331 0.000 1.509 641 G CA -0.371 43.573 45.100 -1.926 0.000 0.806 641 G HN -0.096 nan 8.290 nan 0.000 0.546 642 T N 0.286 114.383 114.554 -0.762 0.000 3.109 642 T HA 0.588 4.941 4.350 0.005 0.000 0.311 642 T C -1.221 173.470 174.700 -0.015 0.000 1.011 642 T CA -0.448 61.520 62.100 -0.221 0.000 1.026 642 T CB 0.610 69.653 68.868 0.293 0.000 1.047 642 T HN 0.574 nan 8.240 nan 0.000 0.448 643 L N 6.605 127.842 121.223 0.024 0.000 2.342 643 L HA 0.529 4.872 4.340 0.005 0.000 0.276 643 L C -0.284 176.617 176.870 0.051 0.000 0.997 643 L CA -1.302 53.533 54.840 -0.007 0.000 0.838 643 L CB 0.998 43.005 42.059 -0.087 0.000 1.224 643 L HN 0.726 nan 8.230 nan 0.000 0.416 644 Y N 0.586 120.898 120.300 0.020 0.000 2.314 644 Y HA 0.295 4.847 4.550 0.005 0.000 0.334 644 Y C -0.346 175.402 175.900 -0.253 0.000 1.266 644 Y CA -0.903 57.057 58.100 -0.233 0.000 1.391 644 Y CB 0.797 38.969 38.460 -0.479 0.000 1.306 644 Y HN 0.559 nan 8.280 nan 0.000 0.558 645 W N 6.321 127.465 121.300 -0.260 0.000 2.291 645 W HA 0.375 5.037 4.660 0.005 0.000 0.312 645 W C -1.510 174.955 176.519 -0.089 0.000 1.061 645 W CA -0.641 56.552 57.345 -0.253 0.000 1.296 645 W CB 1.265 30.621 29.460 -0.173 0.000 1.223 645 W HN 0.924 nan 8.180 nan 0.000 0.421 646 Q N 4.069 123.553 119.800 -0.526 0.000 2.501 646 Q HA 0.250 4.593 4.340 0.005 0.000 0.288 646 Q C -0.473 175.163 176.000 -0.606 0.000 1.051 646 Q CA -0.849 54.291 55.803 -1.105 0.000 0.788 646 Q CB 1.912 29.513 28.738 -1.895 0.000 1.469 646 Q HN 0.400 nan 8.270 nan 0.000 0.416 647 L N 1.299 122.101 121.223 -0.701 0.000 2.005 647 L HA 0.029 4.372 4.340 0.005 0.000 0.207 647 L C 0.121 176.752 176.870 -0.399 0.000 1.072 647 L CA 2.081 56.652 54.840 -0.448 0.000 0.744 647 L CB -0.285 41.517 42.059 -0.429 0.000 0.895 647 L HN 0.913 nan 8.230 nan 0.000 0.433 648 N N -2.268 116.111 118.700 -0.534 0.000 2.902 648 N HA 0.265 5.008 4.740 0.005 0.000 0.268 648 N C -1.618 173.581 175.510 -0.519 0.000 1.450 648 N CA -0.663 52.111 53.050 -0.461 0.000 0.819 648 N CB 1.212 39.449 38.487 -0.417 0.000 1.540 648 N HN -0.131 nan 8.380 nan 0.000 0.545 649 D N -0.834 119.350 120.400 -0.360 0.000 2.433 649 D HA 0.294 4.937 4.640 0.005 0.000 0.236 649 D C 0.354 176.577 176.300 -0.128 0.000 1.026 649 D CA -0.366 53.468 54.000 -0.276 0.000 0.884 649 D CB 2.154 42.851 40.800 -0.173 0.000 1.384 649 D HN 0.602 nan 8.370 nan 0.000 0.477 650 S N 0.288 115.966 115.700 -0.036 0.000 2.548 650 S HA 0.149 4.622 4.470 0.005 0.000 0.215 650 S C 0.339 174.876 174.600 -0.105 0.000 0.976 650 S CA -0.238 58.014 58.200 0.086 0.000 0.908 650 S CB 0.196 63.537 63.200 0.234 0.000 0.781 650 S HN 0.591 nan 8.310 nan 0.000 0.519 651 W N -0.801 120.023 121.300 -0.793 0.000 2.986 651 W HA 0.501 5.164 4.660 0.005 0.000 0.345 651 W C -3.880 172.061 176.519 -0.964 0.000 1.191 651 W CA -2.461 53.870 57.345 -1.689 0.000 1.170 651 W CB -0.299 28.112 29.460 -1.748 0.000 1.438 651 W HN -0.235 nan 8.180 nan 0.000 0.567 652 P HA 0.336 nan 4.420 nan 0.000 0.270 652 P C -0.464 176.043 177.300 -1.321 0.000 1.242 652 P CA 0.497 63.200 63.100 -0.661 0.000 0.768 652 P CB 1.250 32.905 31.700 -0.075 0.000 0.820 653 V N 4.291 123.598 119.914 -1.013 0.000 3.264 653 V HA 0.277 4.400 4.120 0.005 0.000 0.294 653 V C -1.239 174.490 176.094 -0.608 0.000 1.429 653 V CA -0.926 60.717 62.300 -1.095 0.000 1.053 653 V CB 2.617 33.699 31.823 -1.236 0.000 1.128 653 V HN 0.026 nan 8.190 nan 0.000 0.452 654 V N 4.592 124.159 119.914 -0.579 0.000 2.408 654 V HA 0.770 4.893 4.120 0.005 0.000 0.267 654 V C 0.332 176.073 176.094 -0.590 0.000 1.047 654 V CA 0.843 62.777 62.300 -0.609 0.000 0.937 654 V CB 0.578 31.892 31.823 -0.849 0.000 0.999 654 V HN 1.171 nan 8.190 nan 0.000 0.472 655 S N 3.884 119.228 115.700 -0.594 0.000 2.727 655 S HA 0.439 4.912 4.470 0.005 0.000 0.278 655 S C -0.267 173.948 174.600 -0.642 0.000 1.186 655 S CA -0.830 56.994 58.200 -0.626 0.000 0.836 655 S CB 1.195 64.262 63.200 -0.221 0.000 1.186 655 S HN 0.509 nan 8.310 nan 0.000 0.499 656 W N 2.618 123.711 121.300 -0.344 0.000 3.292 656 W HA 0.200 4.863 4.660 0.005 0.000 0.263 656 W C 1.136 177.451 176.519 -0.341 0.000 1.318 656 W CA 0.221 57.363 57.345 -0.338 0.000 1.663 656 W CB -0.722 28.684 29.460 -0.090 0.000 1.114 656 W HN 0.782 nan 8.180 nan 0.000 0.706 657 S N 0.450 116.044 115.700 -0.178 0.000 2.584 657 S HA 0.081 4.554 4.470 0.005 0.000 0.270 657 S C 1.228 175.707 174.600 -0.201 0.000 1.346 657 S CA 0.216 58.272 58.200 -0.240 0.000 1.018 657 S CB 1.677 64.707 63.200 -0.282 0.000 0.899 657 S HN 0.115 nan 8.310 nan 0.000 0.542 658 S N 0.785 116.392 115.700 -0.155 0.000 2.511 658 S HA 0.338 4.811 4.470 0.005 0.000 0.214 658 S C 0.225 174.697 174.600 -0.214 0.000 0.997 658 S CA -0.458 57.644 58.200 -0.163 0.000 0.908 658 S CB -0.569 62.600 63.200 -0.051 0.000 0.803 658 S HN 0.700 nan 8.310 nan 0.000 0.504 659 I N 3.387 123.803 120.570 -0.257 0.000 2.447 659 I HA 0.339 4.512 4.170 0.005 0.000 0.287 659 I C -0.861 175.151 176.117 -0.175 0.000 1.023 659 I CA -0.977 60.166 61.300 -0.261 0.000 1.083 659 I CB 1.894 39.647 38.000 -0.412 0.000 1.245 659 I HN 0.144 nan 8.210 nan 0.000 0.434 660 D N 4.618 124.970 120.400 -0.079 0.000 2.393 660 D HA -0.110 4.533 4.640 0.005 0.000 0.246 660 D C 1.010 177.279 176.300 -0.052 0.000 1.275 660 D CA -0.019 53.952 54.000 -0.049 0.000 0.979 660 D CB 0.543 41.370 40.800 0.046 0.000 1.101 660 D HN 0.540 nan 8.370 nan 0.000 0.505 661 Y N -0.230 119.935 120.300 -0.226 0.000 2.256 661 Y HA -0.203 4.350 4.550 0.005 0.000 0.288 661 Y C 1.102 176.773 175.900 -0.381 0.000 1.155 661 Y CA 1.416 59.303 58.100 -0.356 0.000 1.203 661 Y CB -0.339 37.815 38.460 -0.509 0.000 0.980 661 Y HN 0.399 nan 8.280 nan 0.000 0.530 662 Y N -0.045 120.217 120.300 -0.063 0.000 2.471 662 Y HA 0.276 4.829 4.550 0.005 0.000 0.286 662 Y C 1.916 177.783 175.900 -0.056 0.000 1.188 662 Y CA 0.296 58.337 58.100 -0.098 0.000 1.286 662 Y CB -0.090 38.401 38.460 0.052 0.000 1.072 662 Y HN 0.231 nan 8.280 nan 0.000 0.517 663 G N -0.207 108.603 108.800 0.018 0.000 2.157 663 G HA2 -0.280 3.683 3.960 0.005 0.000 0.248 663 G HA3 -0.280 3.683 3.960 0.005 0.000 0.248 663 G C -0.098 174.897 174.900 0.160 0.000 0.979 663 G CA -0.267 44.859 45.100 0.043 0.000 0.650 663 G HN 0.305 nan 8.290 nan 0.000 0.529 664 N N 0.502 119.319 118.700 0.194 0.000 2.475 664 N HA 0.235 4.978 4.740 0.005 0.000 0.267 664 N C 0.031 175.721 175.510 0.299 0.000 1.169 664 N CA 0.059 53.274 53.050 0.275 0.000 0.947 664 N CB 0.375 39.029 38.487 0.279 0.000 1.061 664 N HN 0.237 nan 8.380 nan 0.000 0.466 665 W N 2.512 123.821 121.300 0.014 0.000 2.381 665 W HA 0.133 4.796 4.660 0.005 0.000 0.321 665 W C 1.138 177.678 176.519 0.035 0.000 1.407 665 W CA -0.269 57.011 57.345 -0.109 0.000 1.274 665 W CB -0.056 29.182 29.460 -0.369 0.000 1.310 665 W HN 0.193 nan 8.180 nan 0.000 0.551 666 K N 2.245 122.688 120.400 0.072 0.000 2.149 666 K HA 0.316 4.639 4.320 0.005 0.000 0.245 666 K C 1.296 177.781 176.600 -0.192 0.000 1.024 666 K CA 0.056 56.267 56.287 -0.127 0.000 0.899 666 K CB 0.558 32.910 32.500 -0.247 0.000 1.038 666 K HN 0.476 nan 8.250 nan 0.000 0.496 667 A N 1.381 123.652 122.820 -0.916 0.000 1.958 667 A HA -0.208 4.115 4.320 0.005 0.000 0.221 667 A C 1.972 179.370 177.584 -0.311 0.000 1.178 667 A CA 1.728 53.233 52.037 -0.886 0.000 0.642 667 A CB -0.565 17.546 19.000 -1.482 0.000 0.816 667 A HN 0.656 nan 8.150 nan 0.000 0.453 668 L N -1.042 119.945 121.223 -0.393 0.000 2.127 668 L HA -0.187 4.156 4.340 0.005 0.000 0.211 668 L C 2.169 178.796 176.870 -0.405 0.000 1.089 668 L CA 2.782 57.372 54.840 -0.416 0.000 0.757 668 L CB -0.886 40.892 42.059 -0.468 0.000 0.899 668 L HN 0.589 nan 8.230 nan 0.000 0.434 669 H N -2.056 116.774 119.070 -0.399 0.000 2.363 669 H HA -0.130 4.429 4.556 0.005 0.000 0.301 669 H C 1.876 176.946 175.328 -0.430 0.000 1.074 669 H CA 2.234 57.931 56.048 -0.586 0.000 1.354 669 H CB -0.158 29.003 29.762 -1.002 0.000 1.397 669 H HN 0.448 nan 8.280 nan 0.000 0.516 670 Y N 0.180 120.539 120.300 0.098 0.000 2.181 670 Y HA -0.224 4.329 4.550 0.005 0.000 0.288 670 Y C 2.579 178.451 175.900 -0.046 0.000 1.146 670 Y CA 1.144 59.366 58.100 0.202 0.000 1.164 670 Y CB -0.208 38.439 38.460 0.312 0.000 0.982 670 Y HN 0.259 nan 8.280 nan 0.000 0.515 671 Q N -0.161 119.625 119.800 -0.025 0.000 2.119 671 Q HA -0.113 4.230 4.340 0.005 0.000 0.201 671 Q C 2.567 178.366 176.000 -0.335 0.000 0.972 671 Q CA 1.236 56.942 55.803 -0.162 0.000 0.847 671 Q CB -0.596 27.999 28.738 -0.238 0.000 0.903 671 Q HN 0.548 nan 8.270 nan 0.000 0.433 672 A N 1.565 124.069 122.820 -0.527 0.000 1.873 672 A HA -0.214 4.109 4.320 0.005 0.000 0.215 672 A C 2.153 179.366 177.584 -0.618 0.000 1.186 672 A CA 1.767 53.318 52.037 -0.811 0.000 0.616 672 A CB -0.498 17.971 19.000 -0.885 0.000 0.823 672 A HN 0.315 nan 8.150 nan 0.000 0.442 673 K N -0.284 119.893 120.400 -0.371 0.000 2.059 673 K HA -0.251 4.072 4.320 0.005 0.000 0.212 673 K C 2.248 178.840 176.600 -0.014 0.000 1.050 673 K CA 2.008 58.237 56.287 -0.096 0.000 0.927 673 K CB -0.207 32.328 32.500 0.057 0.000 0.714 673 K HN 0.474 nan 8.250 nan 0.000 0.447 674 R N -0.384 120.094 120.500 -0.036 0.000 2.075 674 R HA -0.051 4.292 4.340 0.005 0.000 0.232 674 R C 2.383 178.665 176.300 -0.030 0.000 1.126 674 R CA 1.240 57.338 56.100 -0.003 0.000 0.963 674 R CB -0.312 29.992 30.300 0.007 0.000 0.858 674 R HN 0.268 nan 8.270 nan 0.000 0.435 675 A N 0.162 122.900 122.820 -0.137 0.000 2.119 675 A HA -0.058 4.265 4.320 0.005 0.000 0.217 675 A C 1.167 178.799 177.584 0.081 0.000 1.153 675 A CA 0.900 52.866 52.037 -0.119 0.000 0.692 675 A CB -0.106 18.729 19.000 -0.276 0.000 0.799 675 A HN 0.180 nan 8.150 nan 0.000 0.458 676 F N -0.320 119.607 119.950 -0.038 0.000 2.695 676 F HA 0.458 4.988 4.527 0.005 0.000 0.303 676 F C 1.410 177.200 175.800 -0.016 0.000 1.091 676 F CA -0.973 57.011 58.000 -0.026 0.000 1.300 676 F CB -0.899 38.084 39.000 -0.027 0.000 1.071 676 F HN 0.166 nan 8.300 nan 0.000 0.578 677 A N 1.478 124.397 122.820 0.166 0.000 2.540 677 A HA 0.138 4.462 4.320 0.005 0.000 0.239 677 A C -1.174 176.462 177.584 0.087 0.000 1.061 677 A CA -0.706 51.395 52.037 0.107 0.000 0.758 677 A CB -0.215 18.829 19.000 0.074 0.000 0.991 677 A HN 0.081 nan 8.150 nan 0.000 0.502 678 P HA -0.097 nan 4.420 nan 0.000 0.216 678 P C 0.023 177.363 177.300 0.066 0.000 1.154 678 P CA 1.144 64.293 63.100 0.082 0.000 0.865 678 P CB 0.017 31.775 31.700 0.097 0.000 0.789 679 V N 0.364 120.311 119.914 0.056 0.000 2.409 679 V HA 0.386 4.509 4.120 0.005 0.000 0.291 679 V C -0.336 175.778 176.094 0.032 0.000 1.020 679 V CA -0.692 61.633 62.300 0.041 0.000 0.848 679 V CB 1.625 33.471 31.823 0.038 0.000 0.990 679 V HN -0.158 nan 8.190 nan 0.000 0.430 680 L N 6.551 127.788 121.223 0.025 0.000 2.410 680 L HA 0.665 5.008 4.340 0.005 0.000 0.270 680 L C -0.657 176.227 176.870 0.023 0.000 0.983 680 L CA -0.078 54.774 54.840 0.020 0.000 0.822 680 L CB 1.766 43.832 42.059 0.011 0.000 1.285 680 L HN 0.558 nan 8.230 nan 0.000 0.409 681 I N 4.693 125.277 120.570 0.022 0.000 2.352 681 I HA 0.270 4.443 4.170 0.005 0.000 0.290 681 I C 0.146 176.285 176.117 0.037 0.000 1.036 681 I CA 0.050 61.368 61.300 0.030 0.000 1.336 681 I CB 0.658 38.667 38.000 0.015 0.000 1.407 681 I HN 0.645 nan 8.210 nan 0.000 0.497 682 N N 8.926 127.664 118.700 0.064 0.000 2.800 682 N HA 0.323 5.066 4.740 0.005 0.000 0.240 682 N C -2.640 172.926 175.510 0.094 0.000 1.096 682 N CA -1.613 51.470 53.050 0.055 0.000 0.877 682 N CB 1.274 39.768 38.487 0.012 0.000 1.138 682 N HN 0.246 nan 8.380 nan 0.000 0.509 683 P HA 0.158 nan 4.420 nan 0.000 0.276 683 P C -0.789 176.522 177.300 0.017 0.000 1.235 683 P CA -0.307 62.791 63.100 -0.003 0.000 0.772 683 P CB 1.305 32.912 31.700 -0.155 0.000 0.871 684 I N 2.001 122.599 120.570 0.048 0.000 2.478 684 I HA 0.319 4.492 4.170 0.005 0.000 0.287 684 I C -0.914 175.277 176.117 0.124 0.000 1.042 684 I CA -0.812 60.548 61.300 0.101 0.000 1.067 684 I CB 1.993 40.019 38.000 0.043 0.000 1.233 684 I HN 0.263 nan 8.210 nan 0.000 0.431 685 Q N 6.652 126.577 119.800 0.208 0.000 2.333 685 Q HA 0.578 4.921 4.340 0.005 0.000 0.265 685 Q C -1.581 174.534 176.000 0.191 0.000 0.989 685 Q CA -0.549 55.385 55.803 0.219 0.000 0.842 685 Q CB 1.214 30.160 28.738 0.348 0.000 1.262 685 Q HN 0.733 nan 8.270 nan 0.000 0.451 686 Q N 2.652 122.543 119.800 0.151 0.000 2.359 686 Q HA 0.354 4.697 4.340 0.005 0.000 0.274 686 Q C -0.777 175.284 176.000 0.102 0.000 1.074 686 Q CA -0.912 54.962 55.803 0.119 0.000 0.810 686 Q CB 1.759 30.559 28.738 0.104 0.000 1.342 686 Q HN 0.765 nan 8.270 nan 0.000 0.427 687 N N 2.124 120.874 118.700 0.083 0.000 2.727 687 N HA -0.229 4.515 4.740 0.005 0.000 0.249 687 N C -0.697 174.857 175.510 0.073 0.000 1.048 687 N CA 1.583 54.674 53.050 0.067 0.000 0.714 687 N CB -0.748 37.774 38.487 0.058 0.000 0.959 687 N HN 0.993 nan 8.380 nan 0.000 0.544 688 D N -1.770 118.683 120.400 0.088 0.000 3.059 688 D HA -0.171 4.472 4.640 0.005 0.000 0.220 688 D C -0.606 175.764 176.300 0.117 0.000 1.169 688 D CA 1.697 55.753 54.000 0.093 0.000 0.902 688 D CB -0.731 40.105 40.800 0.060 0.000 1.116 688 D HN 0.530 nan 8.370 nan 0.000 0.417 689 S N -0.829 114.949 115.700 0.130 0.000 2.513 689 S HA 0.699 5.172 4.470 0.005 0.000 0.299 689 S C -1.142 173.563 174.600 0.176 0.000 1.087 689 S CA -0.922 57.364 58.200 0.142 0.000 1.012 689 S CB 1.366 64.621 63.200 0.091 0.000 1.044 689 S HN 0.273 nan 8.310 nan 0.000 0.485 690 L N 3.867 125.222 121.223 0.220 0.000 2.307 690 L HA 0.714 5.057 4.340 0.005 0.000 0.284 690 L C -0.532 176.426 176.870 0.146 0.000 1.023 690 L CA 0.324 55.291 54.840 0.212 0.000 0.810 690 L CB 1.692 43.965 42.059 0.357 0.000 1.231 690 L HN 0.630 nan 8.230 nan 0.000 0.423 691 S N 3.221 119.002 115.700 0.135 0.000 2.503 691 S HA 0.773 5.246 4.470 0.005 0.000 0.301 691 S C -1.058 173.646 174.600 0.174 0.000 1.087 691 S CA -0.595 57.684 58.200 0.131 0.000 1.042 691 S CB 1.984 65.303 63.200 0.198 0.000 1.043 691 S HN 0.401 nan 8.310 nan 0.000 0.489 692 V N 3.377 123.365 119.914 0.124 0.000 2.444 692 V HA 0.426 4.549 4.120 0.005 0.000 0.294 692 V C -1.386 174.723 176.094 0.025 0.000 1.022 692 V CA -0.640 61.736 62.300 0.128 0.000 0.850 692 V CB 0.680 32.569 31.823 0.109 0.000 0.992 692 V HN 0.851 nan 8.190 nan 0.000 0.426 693 Y N 4.297 124.604 120.300 0.012 0.000 2.361 693 Y HA 0.609 5.162 4.550 0.005 0.000 0.332 693 Y C 0.178 176.074 175.900 -0.006 0.000 1.101 693 Y CA -0.763 57.338 58.100 0.001 0.000 1.137 693 Y CB 1.750 40.201 38.460 -0.014 0.000 1.207 693 Y HN 0.428 nan 8.280 nan 0.000 0.463 694 L N 5.482 126.765 121.223 0.101 0.000 2.272 694 L HA 0.500 4.843 4.340 0.005 0.000 0.289 694 L C -0.775 176.140 176.870 0.075 0.000 1.032 694 L CA -0.362 54.516 54.840 0.064 0.000 0.810 694 L CB 0.840 42.913 42.059 0.023 0.000 1.205 694 L HN 0.532 nan 8.230 nan 0.000 0.422 695 I N 2.562 123.163 120.570 0.051 0.000 2.418 695 I HA 0.297 4.470 4.170 0.005 0.000 0.287 695 I C -0.195 175.930 176.117 0.013 0.000 1.008 695 I CA -0.134 61.179 61.300 0.021 0.000 1.104 695 I CB 2.084 40.072 38.000 -0.021 0.000 1.264 695 I HN 0.494 nan 8.210 nan 0.000 0.438 696 S N 3.824 119.535 115.700 0.019 0.000 2.561 696 S HA 0.390 4.863 4.470 0.005 0.000 0.303 696 S C -0.365 174.273 174.600 0.064 0.000 1.110 696 S CA -0.629 57.594 58.200 0.039 0.000 1.034 696 S CB 1.167 64.393 63.200 0.043 0.000 1.010 696 S HN 0.550 nan 8.310 nan 0.000 0.482 697 D N 2.889 123.350 120.400 0.103 0.000 2.402 697 D HA 0.202 4.845 4.640 0.005 0.000 0.216 697 D C 0.356 176.841 176.300 0.308 0.000 1.128 697 D CA -0.026 54.106 54.000 0.221 0.000 0.833 697 D CB 0.305 41.226 40.800 0.202 0.000 0.971 697 D HN 0.455 nan 8.370 nan 0.000 0.503 698 R N 0.260 120.856 120.500 0.160 0.000 2.694 698 R HA 0.242 4.585 4.340 0.005 0.000 0.268 698 R C 1.386 177.671 176.300 -0.024 0.000 1.061 698 R CA -0.178 55.979 56.100 0.095 0.000 1.133 698 R CB 1.118 31.450 30.300 0.052 0.000 1.020 698 R HN 0.019 nan 8.270 nan 0.000 0.475 699 L N 0.872 121.993 121.223 -0.170 0.000 2.418 699 L HA -0.025 4.318 4.340 0.005 0.000 0.218 699 L C 0.618 177.393 176.870 -0.158 0.000 1.125 699 L CA 0.512 55.171 54.840 -0.302 0.000 0.835 699 L CB -0.396 41.384 42.059 -0.465 0.000 0.953 699 L HN 0.702 nan 8.230 nan 0.000 0.454 700 D N -1.014 119.335 120.400 -0.086 0.000 2.198 700 D HA 0.148 4.791 4.640 0.005 0.000 0.247 700 D C -0.352 175.934 176.300 -0.024 0.000 1.010 700 D CA -0.397 53.573 54.000 -0.050 0.000 0.880 700 D CB 1.510 42.291 40.800 -0.033 0.000 1.209 700 D HN -0.270 nan 8.370 nan 0.000 0.451 701 T N 1.627 116.171 114.554 -0.017 0.000 2.869 701 T HA 0.278 4.631 4.350 0.005 0.000 0.295 701 T C 0.431 175.134 174.700 0.004 0.000 0.987 701 T CA -0.324 61.774 62.100 -0.003 0.000 1.109 701 T CB 0.584 69.450 68.868 -0.004 0.000 0.932 701 T HN 0.256 nan 8.240 nan 0.000 0.518 702 M N 3.192 122.799 119.600 0.012 0.000 2.238 702 M HA 0.374 4.857 4.480 0.005 0.000 0.350 702 M C 0.175 176.485 176.300 0.017 0.000 1.138 702 M CA -0.456 54.855 55.300 0.018 0.000 1.040 702 M CB 1.384 34.000 32.600 0.026 0.000 1.639 702 M HN 0.540 nan 8.290 nan 0.000 0.451 703 E N 1.790 122.001 120.200 0.018 0.000 2.244 703 E HA 0.311 4.664 4.350 0.005 0.000 0.266 703 E C -0.843 175.771 176.600 0.022 0.000 0.914 703 E CA -0.798 55.612 56.400 0.017 0.000 0.794 703 E CB 1.562 31.269 29.700 0.012 0.000 1.210 703 E HN 0.567 nan 8.360 nan 0.000 0.414 704 Q N 0.974 120.788 119.800 0.023 0.000 2.452 704 Q HA -0.194 4.149 4.340 0.005 0.000 0.318 704 Q C -0.448 175.578 176.000 0.042 0.000 1.386 704 Q CA 0.454 56.276 55.803 0.032 0.000 0.872 704 Q CB -1.128 27.625 28.738 0.025 0.000 1.151 704 Q HN 0.425 nan 8.270 nan 0.000 0.417 705 M N 0.153 119.775 119.600 0.037 0.000 2.342 705 M HA 0.382 4.865 4.480 0.005 0.000 0.332 705 M C 0.569 176.888 176.300 0.031 0.000 1.166 705 M CA 0.055 55.374 55.300 0.032 0.000 1.086 705 M CB 1.266 33.877 32.600 0.017 0.000 1.541 705 M HN -0.018 nan 8.290 nan 0.000 0.462 706 T N 2.772 117.335 114.554 0.015 0.000 2.812 706 T HA 0.544 4.897 4.350 0.005 0.000 0.282 706 T C -0.845 173.801 174.700 -0.090 0.000 0.990 706 T CA -0.547 61.525 62.100 -0.046 0.000 0.960 706 T CB 1.374 70.239 68.868 -0.004 0.000 0.948 706 T HN 0.486 nan 8.240 nan 0.000 0.438 707 L N 3.760 124.898 121.223 -0.141 0.000 2.264 707 L HA 0.534 4.877 4.340 0.005 0.000 0.289 707 L C 0.040 176.786 176.870 -0.206 0.000 1.044 707 L CA -0.093 54.659 54.840 -0.148 0.000 0.807 707 L CB 0.658 42.630 42.059 -0.146 0.000 1.192 707 L HN 0.630 nan 8.230 nan 0.000 0.425 708 E N 5.781 125.887 120.200 -0.156 0.000 2.171 708 E HA 0.545 4.898 4.350 0.005 0.000 0.271 708 E C -1.467 175.061 176.600 -0.120 0.000 0.916 708 E CA -0.632 55.677 56.400 -0.152 0.000 0.774 708 E CB 1.238 30.876 29.700 -0.103 0.000 1.128 708 E HN 0.718 nan 8.360 nan 0.000 0.403 709 M N 3.786 123.306 119.600 -0.134 0.000 2.457 709 M HA 0.431 4.914 4.480 0.005 0.000 0.300 709 M C -1.147 175.141 176.300 -0.021 0.000 1.141 709 M CA -0.761 54.494 55.300 -0.075 0.000 0.901 709 M CB 2.437 34.964 32.600 -0.122 0.000 1.687 709 M HN 0.384 nan 8.290 nan 0.000 0.449 710 K N 0.640 121.057 120.400 0.028 0.000 2.542 710 K HA 0.692 5.015 4.320 0.005 0.000 0.259 710 K C -1.707 174.910 176.600 0.027 0.000 0.932 710 K CA -0.996 55.315 56.287 0.040 0.000 0.820 710 K CB 1.788 34.288 32.500 -0.000 0.000 1.345 710 K HN 0.416 nan 8.250 nan 0.000 0.432 711 V N 2.330 122.270 119.914 0.043 0.000 2.530 711 V HA 0.289 4.412 4.120 0.005 0.000 0.282 711 V C -0.431 175.532 176.094 -0.217 0.000 1.048 711 V CA -0.521 61.746 62.300 -0.056 0.000 0.997 711 V CB 1.184 32.998 31.823 -0.016 0.000 0.987 711 V HN 0.558 nan 8.190 nan 0.000 0.477 712 V N 4.472 124.087 119.914 -0.498 0.000 2.531 712 V HA 0.380 4.503 4.120 0.005 0.000 0.301 712 V C -0.325 175.420 176.094 -0.583 0.000 1.034 712 V CA -0.990 60.966 62.300 -0.572 0.000 0.865 712 V CB 1.973 33.325 31.823 -0.784 0.000 0.995 712 V HN 1.022 nan 8.190 nan 0.000 0.424 713 D N 3.025 123.260 120.400 -0.275 0.000 2.398 713 D HA 0.134 4.777 4.640 0.005 0.000 0.247 713 D C 0.687 177.058 176.300 0.119 0.000 1.227 713 D CA -0.493 53.387 54.000 -0.199 0.000 0.980 713 D CB 0.492 41.186 40.800 -0.176 0.000 1.106 713 D HN 0.239 nan 8.370 nan 0.000 0.493 714 F N -0.663 119.357 119.950 0.117 0.000 2.641 714 F HA 0.018 4.548 4.527 0.005 0.000 0.298 714 F C 1.411 177.277 175.800 0.112 0.000 1.146 714 F CA 0.219 58.333 58.000 0.190 0.000 1.464 714 F CB -0.650 38.454 39.000 0.173 0.000 1.101 714 F HN 0.288 nan 8.300 nan 0.000 0.585 715 D N -0.933 119.601 120.400 0.223 0.000 2.360 715 D HA 0.194 4.837 4.640 0.005 0.000 0.210 715 D C 2.153 178.516 176.300 0.105 0.000 1.047 715 D CA 0.979 55.057 54.000 0.131 0.000 0.854 715 D CB 0.451 41.300 40.800 0.081 0.000 0.936 715 D HN 0.330 nan 8.370 nan 0.000 0.514 716 G N 1.564 110.437 108.800 0.121 0.000 2.179 716 G HA2 -0.250 3.713 3.960 0.005 0.000 0.220 716 G HA3 -0.250 3.713 3.960 0.005 0.000 0.220 716 G C 0.380 175.300 174.900 0.033 0.000 0.990 716 G CA -0.170 44.986 45.100 0.093 0.000 0.646 716 G HN 0.304 nan 8.290 nan 0.000 0.517 717 K N 1.625 122.028 120.400 0.005 0.000 2.258 717 K HA 0.494 4.817 4.320 0.005 0.000 0.284 717 K C 0.210 176.774 176.600 -0.061 0.000 1.051 717 K CA -0.160 56.115 56.287 -0.019 0.000 0.923 717 K CB 0.355 32.846 32.500 -0.016 0.000 1.046 717 K HN 0.070 nan 8.250 nan 0.000 0.474 718 T N 4.989 119.513 114.554 -0.050 0.000 2.901 718 T HA 0.173 4.526 4.350 0.005 0.000 0.301 718 T C 0.059 174.726 174.700 -0.055 0.000 1.012 718 T CA -0.175 61.888 62.100 -0.063 0.000 1.135 718 T CB 0.228 69.076 68.868 -0.033 0.000 0.936 718 T HN 0.409 nan 8.240 nan 0.000 0.539 719 L N 3.187 124.371 121.223 -0.065 0.000 2.305 719 L HA 0.636 4.979 4.340 0.005 0.000 0.284 719 L C 1.068 177.938 176.870 -0.000 0.000 1.013 719 L CA -0.679 54.131 54.840 -0.049 0.000 0.819 719 L CB 0.795 42.799 42.059 -0.092 0.000 1.227 719 L HN 0.983 nan 8.230 nan 0.000 0.417 720 G N 2.859 111.666 108.800 0.013 0.000 2.642 720 G HA2 -0.202 3.761 3.960 0.005 0.000 0.231 720 G HA3 -0.202 3.761 3.960 0.005 0.000 0.231 720 G C -0.667 174.252 174.900 0.032 0.000 1.338 720 G CA -0.594 44.532 45.100 0.043 0.000 0.883 720 G HN 0.491 nan 8.290 nan 0.000 0.570 721 K N 0.904 121.325 120.400 0.036 0.000 2.095 721 K HA 0.560 4.883 4.320 0.005 0.000 0.252 721 K C 0.696 177.305 176.600 0.015 0.000 0.977 721 K CA -0.573 55.724 56.287 0.016 0.000 0.900 721 K CB 0.748 33.251 32.500 0.005 0.000 1.060 721 K HN 0.604 nan 8.250 nan 0.000 0.449 722 K N 1.395 121.794 120.400 -0.002 0.000 2.527 722 K HA 0.046 4.369 4.320 0.005 0.000 0.278 722 K C -0.119 176.450 176.600 -0.052 0.000 0.981 722 K CA 0.486 56.761 56.287 -0.021 0.000 1.009 722 K CB 0.153 32.639 32.500 -0.024 0.000 0.895 722 K HN 0.391 nan 8.250 nan 0.000 0.493 723 I N 2.810 123.322 120.570 -0.097 0.000 2.354 723 I HA 0.126 4.299 4.170 0.005 0.000 0.292 723 I C -0.038 175.946 176.117 -0.222 0.000 0.989 723 I CA -0.467 60.728 61.300 -0.174 0.000 1.188 723 I CB 1.405 39.236 38.000 -0.281 0.000 1.342 723 I HN 0.355 nan 8.210 nan 0.000 0.457 724 Q N 5.733 125.401 119.800 -0.220 0.000 2.330 724 Q HA 0.556 4.899 4.340 0.005 0.000 0.269 724 Q C -1.323 174.455 176.000 -0.370 0.000 1.022 724 Q CA -0.811 54.790 55.803 -0.336 0.000 0.796 724 Q CB 3.335 31.860 28.738 -0.355 0.000 1.271 724 Q HN 0.408 nan 8.270 nan 0.000 0.450 725 V N 3.028 122.702 119.914 -0.400 0.000 2.350 725 V HA 0.328 4.451 4.120 0.005 0.000 0.285 725 V C -0.637 175.286 176.094 -0.284 0.000 1.014 725 V CA -0.698 61.449 62.300 -0.256 0.000 0.831 725 V CB 0.791 32.525 31.823 -0.148 0.000 1.000 725 V HN 0.732 nan 8.190 nan 0.000 0.433 726 H N 1.567 120.621 119.070 -0.027 0.000 2.559 726 H HA 0.530 5.088 4.556 0.005 0.000 0.343 726 H C 0.839 176.159 175.328 -0.014 0.000 1.209 726 H CA 0.015 56.051 56.048 -0.020 0.000 1.287 726 H CB 1.300 31.051 29.762 -0.017 0.000 1.650 726 H HN 0.727 nan 8.280 nan 0.000 0.567 727 S N 0.115 115.902 115.700 0.146 0.000 3.682 727 S HA -0.171 4.302 4.470 0.005 0.000 0.354 727 S C -0.323 174.301 174.600 0.041 0.000 1.034 727 S CA 0.056 58.299 58.200 0.071 0.000 1.084 727 S CB -1.782 61.450 63.200 0.054 0.000 0.903 727 S HN 0.357 nan 8.310 nan 0.000 0.470 728 L N 1.017 122.260 121.223 0.032 0.000 2.334 728 L HA 0.496 4.839 4.340 0.005 0.000 0.277 728 L C 0.641 177.519 176.870 0.013 0.000 1.075 728 L CA -0.152 54.696 54.840 0.013 0.000 0.804 728 L CB 0.992 43.050 42.059 -0.002 0.000 1.174 728 L HN 0.317 nan 8.230 nan 0.000 0.438 729 E N 1.892 122.097 120.200 0.009 0.000 2.191 729 E HA 0.430 4.783 4.350 0.005 0.000 0.278 729 E C -1.449 175.157 176.600 0.009 0.000 0.972 729 E CA -0.688 55.718 56.400 0.010 0.000 0.804 729 E CB 1.827 31.532 29.700 0.008 0.000 1.110 729 E HN 0.315 nan 8.360 nan 0.000 0.394 730 V N 6.337 126.258 119.914 0.013 0.000 2.250 730 V HA 0.289 4.412 4.120 0.005 0.000 0.268 730 V C -2.317 173.787 176.094 0.017 0.000 1.043 730 V CA -1.813 60.496 62.300 0.016 0.000 0.814 730 V CB 0.548 32.383 31.823 0.019 0.000 1.072 730 V HN 0.684 nan 8.190 nan 0.000 0.451 731 P HA 0.180 nan 4.420 nan 0.000 0.269 731 P C 0.189 177.499 177.300 0.017 0.000 1.215 731 P CA 0.110 63.218 63.100 0.014 0.000 0.780 731 P CB 0.620 32.330 31.700 0.016 0.000 0.898 732 A N 2.962 125.786 122.820 0.006 0.000 2.565 732 A HA 0.004 4.327 4.320 0.005 0.000 0.237 732 A C 0.722 178.324 177.584 0.030 0.000 1.053 732 A CA 0.220 52.258 52.037 0.003 0.000 0.755 732 A CB -1.025 17.951 19.000 -0.039 0.000 0.980 732 A HN 0.733 nan 8.150 nan 0.000 0.506 733 N N -0.215 118.524 118.700 0.065 0.000 2.738 733 N HA -0.151 4.592 4.740 0.005 0.000 0.249 733 N C 0.044 175.602 175.510 0.080 0.000 1.047 733 N CA 1.657 54.773 53.050 0.110 0.000 0.707 733 N CB -1.489 37.085 38.487 0.146 0.000 0.937 733 N HN 1.295 nan 8.380 nan 0.000 0.545 734 T N -4.129 110.459 114.554 0.056 0.000 2.883 734 T HA 0.747 5.100 4.350 0.005 0.000 0.296 734 T C -0.398 174.328 174.700 0.042 0.000 1.117 734 T CA -0.683 61.447 62.100 0.051 0.000 1.006 734 T CB 2.390 71.287 68.868 0.048 0.000 1.191 734 T HN -0.050 nan 8.240 nan 0.000 0.508 735 S N 0.907 116.645 115.700 0.063 0.000 2.647 735 S HA 0.638 5.111 4.470 0.005 0.000 0.300 735 S C -1.004 173.705 174.600 0.182 0.000 1.129 735 S CA -0.956 57.308 58.200 0.107 0.000 1.029 735 S CB 0.951 64.189 63.200 0.064 0.000 1.007 735 S HN 0.688 nan 8.310 nan 0.000 0.484 736 K N 1.050 121.555 120.400 0.175 0.000 2.501 736 K HA 0.412 4.735 4.320 0.005 0.000 0.252 736 K C -1.091 175.376 176.600 -0.221 0.000 0.934 736 K CA -0.613 55.699 56.287 0.042 0.000 0.797 736 K CB 2.024 34.526 32.500 0.003 0.000 1.270 736 K HN 0.633 nan 8.250 nan 0.000 0.431 737 C N 3.137 122.080 119.300 -0.596 0.000 2.585 737 C HA 0.249 4.712 4.460 0.005 0.000 0.406 737 C C 1.556 176.332 174.990 -0.357 0.000 1.312 737 C CA -0.205 58.265 59.018 -0.914 0.000 1.924 737 C CB -0.769 26.390 27.740 -0.967 0.000 2.578 737 C HN 0.729 nan 8.230 nan 0.000 0.580 738 V N 3.320 123.092 119.914 -0.235 0.000 3.502 738 V HA 0.398 4.522 4.120 0.005 0.000 0.288 738 V C -0.250 175.859 176.094 0.026 0.000 1.461 738 V CA 0.014 62.265 62.300 -0.082 0.000 1.029 738 V CB -0.785 31.011 31.823 -0.045 0.000 0.843 738 V HN 0.819 nan 8.190 nan 0.000 0.438 739 Y N 0.752 120.953 120.300 -0.165 0.000 2.480 739 Y HA 0.738 5.290 4.550 0.004 0.000 0.329 739 Y C -0.851 174.983 175.900 -0.109 0.000 1.127 739 Y CA -1.196 56.828 58.100 -0.128 0.000 1.037 739 Y CB 1.680 40.072 38.460 -0.113 0.000 1.320 739 Y HN 0.131 nan 8.280 nan 0.000 0.446 740 R N 3.747 123.823 120.500 -0.706 0.000 2.621 740 R HA 0.935 5.278 4.340 0.005 0.000 0.284 740 R C -1.739 174.148 176.300 -0.688 0.000 0.998 740 R CA -1.184 54.631 56.100 -0.474 0.000 0.895 740 R CB 2.227 32.377 30.300 -0.250 0.000 1.195 740 R HN 0.724 nan 8.270 nan 0.000 0.450 741 A N 2.632 125.239 122.820 -0.354 0.000 2.517 741 A HA 0.389 4.712 4.320 0.005 0.000 0.297 741 A C -1.065 176.566 177.584 0.079 0.000 1.050 741 A CA -0.842 51.058 52.037 -0.229 0.000 0.694 741 A CB 1.393 20.163 19.000 -0.384 0.000 1.277 741 A HN 0.600 nan 8.150 nan 0.000 0.400 742 K N 1.227 121.670 120.400 0.072 0.000 2.436 742 K HA 0.162 4.485 4.320 0.005 0.000 0.275 742 K C 0.406 177.183 176.600 0.296 0.000 0.999 742 K CA -0.276 56.097 56.287 0.143 0.000 0.980 742 K CB 0.478 33.026 32.500 0.079 0.000 0.919 742 K HN 0.547 nan 8.250 nan 0.000 0.484 743 L N 1.708 123.065 121.223 0.223 0.000 2.109 743 L HA -0.092 4.251 4.340 0.005 0.000 0.207 743 L C 0.613 177.532 176.870 0.081 0.000 1.086 743 L CA 1.268 56.187 54.840 0.132 0.000 0.760 743 L CB -0.495 41.546 42.059 -0.030 0.000 0.910 743 L HN 0.650 nan 8.230 nan 0.000 0.437 744 D N -0.063 120.377 120.400 0.066 0.000 2.451 744 D HA 0.316 4.959 4.640 0.005 0.000 0.254 744 D C 1.267 177.612 176.300 0.075 0.000 1.204 744 D CA 1.278 55.304 54.000 0.043 0.000 0.896 744 D CB 0.194 41.013 40.800 0.032 0.000 1.136 744 D HN 0.383 nan 8.370 nan 0.000 0.499 745 G N 3.156 111.993 108.800 0.062 0.000 2.175 745 G HA2 -0.313 3.650 3.960 0.005 0.000 0.244 745 G HA3 -0.313 3.650 3.960 0.005 0.000 0.244 745 G C 0.563 175.557 174.900 0.158 0.000 0.982 745 G CA 0.432 45.579 45.100 0.078 0.000 0.641 745 G HN 0.557 nan 8.290 nan 0.000 0.527 746 W N 0.360 121.624 121.300 -0.060 0.000 3.127 746 W HA 0.676 5.340 4.660 0.006 0.000 0.248 746 W C 0.133 176.585 176.519 -0.112 0.000 1.058 746 W CA 0.499 57.803 57.345 -0.068 0.000 1.783 746 W CB 0.116 29.547 29.460 -0.049 0.000 1.030 746 W HN 0.133 nan 8.180 nan 0.000 0.653 747 L N 1.623 122.680 121.223 -0.275 0.000 2.381 747 L HA 0.421 4.764 4.340 0.005 0.000 0.268 747 L C 0.670 177.378 176.870 -0.270 0.000 0.997 747 L CA -0.705 53.867 54.840 -0.447 0.000 0.818 747 L CB 1.964 43.493 42.059 -0.883 0.000 1.310 747 L HN -0.106 nan 8.230 nan 0.000 0.416 748 T N -1.599 112.826 114.554 -0.215 0.000 2.868 748 T HA 0.272 4.625 4.350 0.005 0.000 0.292 748 T C -1.990 172.610 174.700 -0.166 0.000 1.028 748 T CA -1.529 60.481 62.100 -0.149 0.000 1.059 748 T CB 0.958 69.759 68.868 -0.112 0.000 0.991 748 T HN 0.372 nan 8.240 nan 0.000 0.531 749 P HA -0.074 nan 4.420 nan 0.000 0.218 749 P C 1.339 178.584 177.300 -0.092 0.000 1.146 749 P CA 0.945 63.989 63.100 -0.094 0.000 0.813 749 P CB 0.132 31.798 31.700 -0.057 0.000 0.778 750 E N -0.695 119.448 120.200 -0.094 0.000 2.072 750 E HA -0.163 4.190 4.350 0.005 0.000 0.190 750 E C 1.464 177.988 176.600 -0.127 0.000 0.982 750 E CA 0.956 57.303 56.400 -0.088 0.000 0.803 750 E CB -0.263 29.393 29.700 -0.074 0.000 0.755 750 E HN 0.111 nan 8.360 nan 0.000 0.453 751 D N -0.216 120.080 120.400 -0.172 0.000 2.144 751 D HA -0.131 4.512 4.640 0.005 0.000 0.200 751 D C 1.840 177.997 176.300 -0.238 0.000 0.978 751 D CA 0.661 54.523 54.000 -0.230 0.000 0.833 751 D CB -0.382 40.251 40.800 -0.278 0.000 0.961 751 D HN 0.274 nan 8.370 nan 0.000 0.470 752 C N 0.924 120.083 119.300 -0.235 0.000 2.411 752 C HA -0.114 4.349 4.460 0.005 0.000 0.279 752 C C 2.198 177.222 174.990 0.056 0.000 1.288 752 C CA 0.649 59.584 59.018 -0.139 0.000 1.764 752 C CB -0.854 26.797 27.740 -0.147 0.000 1.974 752 C HN 0.405 nan 8.230 nan 0.000 0.498 753 R N 0.910 121.410 120.500 -0.001 0.000 2.317 753 R HA 0.085 4.428 4.340 0.005 0.000 0.208 753 R C 1.459 177.763 176.300 0.007 0.000 0.914 753 R CA 0.344 56.484 56.100 0.066 0.000 1.060 753 R CB -0.287 30.042 30.300 0.050 0.000 1.015 753 R HN 0.661 nan 8.270 nan 0.000 0.498 754 R N -0.013 120.325 120.500 -0.270 0.000 2.569 754 R HA 0.220 4.563 4.340 0.005 0.000 0.422 754 R C -0.663 174.857 176.300 -1.300 0.000 0.980 754 R CA -0.166 55.416 56.100 -0.863 0.000 1.164 754 R CB 0.696 30.735 30.300 -0.436 0.000 1.520 754 R HN 0.119 nan 8.270 nan 0.000 0.567 755 S N 0.140 115.437 115.700 -0.671 0.000 2.618 755 S HA 0.773 5.246 4.470 0.005 0.000 0.277 755 S C -0.594 174.129 174.600 0.206 0.000 1.138 755 S CA -0.887 57.127 58.200 -0.311 0.000 0.844 755 S CB 1.451 64.504 63.200 -0.246 0.000 1.127 755 S HN 0.307 nan 8.310 nan 0.000 0.474 756 F N -0.552 119.453 119.950 0.091 0.000 2.620 756 F HA 0.868 5.397 4.527 0.005 0.000 0.320 756 F C -1.251 174.493 175.800 -0.094 0.000 1.069 756 F CA -1.537 56.331 58.000 -0.221 0.000 0.953 756 F CB 0.838 39.412 39.000 -0.710 0.000 1.322 756 F HN 0.581 nan 8.300 nan 0.000 0.479 757 L N 2.696 123.875 121.223 -0.074 0.000 2.264 757 L HA 0.458 4.801 4.340 0.005 0.000 0.289 757 L C -0.351 176.600 176.870 0.135 0.000 1.044 757 L CA -0.395 54.474 54.840 0.048 0.000 0.807 757 L CB 0.930 43.029 42.059 0.067 0.000 1.192 757 L HN 0.766 nan 8.230 nan 0.000 0.425 758 K N 4.437 124.914 120.400 0.128 0.000 2.227 758 K HA 0.615 4.938 4.320 0.005 0.000 0.280 758 K C -1.477 175.161 176.600 0.065 0.000 1.041 758 K CA -0.387 55.990 56.287 0.150 0.000 0.905 758 K CB 0.563 33.165 32.500 0.171 0.000 1.068 758 K HN 0.540 nan 8.250 nan 0.000 0.470 759 L N 5.505 126.754 121.223 0.043 0.000 2.365 759 L HA 0.557 4.900 4.340 0.005 0.000 0.273 759 L C -0.900 175.966 176.870 -0.008 0.000 1.000 759 L CA -0.589 54.253 54.840 0.003 0.000 0.819 759 L CB 1.667 43.726 42.059 -0.001 0.000 1.284 759 L HN 0.538 nan 8.230 nan 0.000 0.418 760 I N 3.180 123.731 120.570 -0.031 0.000 2.619 760 I HA 0.459 4.632 4.170 0.005 0.000 0.292 760 I C -1.255 174.832 176.117 -0.051 0.000 1.100 760 I CA -0.370 60.909 61.300 -0.036 0.000 1.043 760 I CB 2.256 40.237 38.000 -0.033 0.000 1.239 760 I HN 0.349 nan 8.210 nan 0.000 0.420 761 L N 7.755 128.950 121.223 -0.047 0.000 2.298 761 L HA 0.626 4.969 4.340 0.005 0.000 0.284 761 L C -0.700 176.140 176.870 -0.050 0.000 1.013 761 L CA -0.101 54.713 54.840 -0.044 0.000 0.824 761 L CB 0.532 42.574 42.059 -0.029 0.000 1.221 761 L HN 0.617 nan 8.230 nan 0.000 0.418 762 K N 1.955 122.334 120.400 -0.035 0.000 2.385 762 K HA 0.666 4.989 4.320 0.005 0.000 0.248 762 K C -1.090 175.522 176.600 0.020 0.000 0.955 762 K CA -0.886 55.387 56.287 -0.023 0.000 0.816 762 K CB 1.863 34.352 32.500 -0.017 0.000 1.250 762 K HN 0.519 nan 8.250 nan 0.000 0.434 763 D N 0.815 121.249 120.400 0.057 0.000 2.414 763 D HA -0.017 4.626 4.640 0.005 0.000 0.259 763 D C 0.880 177.220 176.300 0.067 0.000 1.269 763 D CA -0.497 53.547 54.000 0.073 0.000 1.028 763 D CB 0.580 41.443 40.800 0.106 0.000 1.093 763 D HN 0.563 nan 8.370 nan 0.000 0.545 764 K N -0.371 120.064 120.400 0.057 0.000 2.152 764 K HA -0.161 4.162 4.320 0.005 0.000 0.206 764 K C 1.764 178.391 176.600 0.045 0.000 1.048 764 K CA 1.949 58.265 56.287 0.048 0.000 0.933 764 K CB -0.611 31.908 32.500 0.032 0.000 0.721 764 K HN 0.448 nan 8.250 nan 0.000 0.447 765 S N -2.049 113.681 115.700 0.051 0.000 2.527 765 S HA 0.190 4.663 4.470 0.005 0.000 0.222 765 S C 1.377 176.013 174.600 0.061 0.000 0.985 765 S CA 0.374 58.602 58.200 0.047 0.000 0.921 765 S CB 0.110 63.333 63.200 0.038 0.000 0.772 765 S HN 0.532 nan 8.310 nan 0.000 0.529 766 G N 0.712 109.556 108.800 0.074 0.000 2.184 766 G HA2 -0.231 3.732 3.960 0.005 0.000 0.206 766 G HA3 -0.231 3.732 3.960 0.005 0.000 0.206 766 G C -0.091 174.856 174.900 0.079 0.000 0.995 766 G CA 0.003 45.142 45.100 0.065 0.000 0.651 766 G HN 0.874 nan 8.290 nan 0.000 0.511 767 H N 1.233 120.310 119.070 0.012 0.000 2.767 767 H HA 0.546 5.105 4.556 0.005 0.000 0.316 767 H C 0.569 175.903 175.328 0.010 0.000 1.059 767 H CA 0.453 56.507 56.048 0.011 0.000 1.461 767 H CB 0.692 30.459 29.762 0.010 0.000 1.475 767 H HN 0.413 nan 8.280 nan 0.000 0.531 768 Q N 4.495 124.002 119.800 -0.490 0.000 2.296 768 Q HA 0.200 4.543 4.340 0.005 0.000 0.262 768 Q C 0.366 176.054 176.000 -0.520 0.000 0.981 768 Q CA -0.094 55.485 55.803 -0.374 0.000 0.905 768 Q CB 0.871 29.483 28.738 -0.211 0.000 1.186 768 Q HN 0.761 nan 8.270 nan 0.000 0.399 769 V N 0.641 120.409 119.914 -0.243 0.000 3.523 769 V HA 0.647 4.770 4.120 0.005 0.000 0.255 769 V C 0.149 176.209 176.094 -0.057 0.000 1.226 769 V CA 0.589 62.816 62.300 -0.122 0.000 1.092 769 V CB 0.330 32.147 31.823 -0.011 0.000 0.817 769 V HN 0.651 nan 8.190 nan 0.000 0.458 770 A N 0.887 123.672 122.820 -0.058 0.000 2.604 770 A HA 0.797 5.120 4.320 0.005 0.000 0.295 770 A C -0.990 176.576 177.584 -0.031 0.000 1.067 770 A CA -0.187 51.834 52.037 -0.027 0.000 0.683 770 A CB 1.538 20.534 19.000 -0.008 0.000 1.281 770 A HN 0.676 nan 8.150 nan 0.000 0.407 771 E N 0.171 120.361 120.200 -0.017 0.000 2.390 771 E HA 0.761 5.114 4.350 0.005 0.000 0.277 771 E C -1.038 175.564 176.600 0.003 0.000 0.939 771 E CA -0.669 55.724 56.400 -0.011 0.000 0.769 771 E CB 2.032 31.723 29.700 -0.015 0.000 1.251 771 E HN 0.681 nan 8.360 nan 0.000 0.450 772 S N 0.984 116.690 115.700 0.011 0.000 2.618 772 S HA 0.649 5.122 4.470 0.005 0.000 0.277 772 S C -1.569 173.047 174.600 0.027 0.000 1.138 772 S CA -0.565 57.649 58.200 0.022 0.000 0.844 772 S CB 1.876 65.094 63.200 0.030 0.000 1.127 772 S HN 0.426 nan 8.310 nan 0.000 0.474 773 V N 2.679 122.606 119.914 0.022 0.000 2.656 773 V HA 0.538 4.661 4.120 0.005 0.000 0.307 773 V C -1.006 175.079 176.094 -0.016 0.000 1.051 773 V CA -0.656 61.631 62.300 -0.021 0.000 0.893 773 V CB 1.630 33.381 31.823 -0.120 0.000 0.999 773 V HN 0.994 nan 8.190 nan 0.000 0.426 774 H N 3.242 122.167 119.070 -0.241 0.000 2.600 774 H HA 0.703 5.262 4.556 0.005 0.000 0.357 774 H C -1.688 173.272 175.328 -0.613 0.000 1.106 774 H CA -0.556 55.311 56.048 -0.301 0.000 1.193 774 H CB 1.450 31.043 29.762 -0.283 0.000 1.594 774 H HN 0.445 nan 8.280 nan 0.000 0.526 775 F N 4.483 123.948 119.950 -0.810 0.000 2.443 775 F HA 0.248 4.779 4.527 0.005 0.000 0.335 775 F C 0.026 175.331 175.800 -0.825 0.000 1.104 775 F CA -0.575 57.076 58.000 -0.582 0.000 1.013 775 F CB 1.006 39.853 39.000 -0.255 0.000 1.136 775 F HN 0.586 nan 8.300 nan 0.000 0.470 776 F N 1.085 121.020 119.950 -0.025 0.000 2.776 776 F HA 0.281 4.811 4.527 0.005 0.000 0.300 776 F C 0.874 176.685 175.800 0.018 0.000 1.116 776 F CA 0.115 58.120 58.000 0.008 0.000 1.375 776 F CB -0.009 38.994 39.000 0.004 0.000 1.109 776 F HN 0.155 nan 8.300 nan 0.000 0.585 777 R N -0.003 120.603 120.500 0.177 0.000 2.836 777 R HA 0.355 4.699 4.340 0.005 0.000 0.269 777 R C -0.373 175.921 176.300 -0.009 0.000 1.010 777 R CA -1.056 55.096 56.100 0.085 0.000 0.930 777 R CB 1.366 31.725 30.300 0.099 0.000 1.218 777 R HN -0.018 nan 8.270 nan 0.000 0.473 778 K N 0.315 120.671 120.400 -0.074 0.000 2.414 778 K HA 0.045 4.368 4.320 0.005 0.000 0.272 778 K C 0.948 177.408 176.600 -0.234 0.000 0.993 778 K CA 0.224 56.399 56.287 -0.187 0.000 0.964 778 K CB 0.482 32.867 32.500 -0.191 0.000 0.925 778 K HN 0.429 nan 8.250 nan 0.000 0.487 779 T N 2.225 116.532 114.554 -0.412 0.000 2.759 779 T HA -0.201 4.152 4.350 0.005 0.000 0.269 779 T C 1.613 176.162 174.700 -0.251 0.000 1.042 779 T CA 1.773 63.636 62.100 -0.396 0.000 1.140 779 T CB -0.105 68.420 68.868 -0.571 0.000 0.864 779 T HN 0.637 nan 8.240 nan 0.000 0.455 780 K N 0.990 121.213 120.400 -0.296 0.000 2.280 780 K HA -0.098 4.225 4.320 0.005 0.000 0.202 780 K C 1.078 177.600 176.600 -0.129 0.000 1.047 780 K CA 1.540 57.707 56.287 -0.200 0.000 0.942 780 K CB -0.024 32.359 32.500 -0.195 0.000 0.739 780 K HN 0.190 nan 8.250 nan 0.000 0.457 781 D N 0.969 121.312 120.400 -0.095 0.000 2.350 781 D HA 0.117 4.760 4.640 0.005 0.000 0.213 781 D C 0.351 176.672 176.300 0.035 0.000 1.031 781 D CA 0.176 54.157 54.000 -0.033 0.000 0.861 781 D CB 0.159 40.939 40.800 -0.032 0.000 0.926 781 D HN 0.188 nan 8.370 nan 0.000 0.520 782 L N 1.162 122.421 121.223 0.059 0.000 2.380 782 L HA 0.172 4.515 4.340 0.005 0.000 0.273 782 L C 0.714 177.723 176.870 0.232 0.000 1.138 782 L CA -0.130 54.828 54.840 0.197 0.000 0.832 782 L CB 0.690 42.873 42.059 0.205 0.000 1.124 782 L HN -0.325 nan 8.230 nan 0.000 0.454 783 Q N 4.321 124.309 119.800 0.313 0.000 2.835 783 Q HA 0.309 4.652 4.340 0.005 0.000 0.235 783 Q C -0.859 175.391 176.000 0.417 0.000 1.313 783 Q CA -0.175 55.794 55.803 0.276 0.000 1.053 783 Q CB 0.246 29.084 28.738 0.167 0.000 1.443 783 Q HN 0.503 nan 8.270 nan 0.000 0.576 784 L N 4.190 125.603 121.223 0.316 0.000 2.410 784 L HA 0.253 4.596 4.340 0.005 0.000 0.273 784 L C -1.801 175.173 176.870 0.174 0.000 1.144 784 L CA -1.769 53.187 54.840 0.194 0.000 0.863 784 L CB 0.053 42.153 42.059 0.068 0.000 1.140 784 L HN 0.221 nan 8.230 nan 0.000 0.463 785 P HA 0.258 nan 4.420 nan 0.000 0.279 785 P C -2.602 174.737 177.300 0.065 0.000 1.239 785 P CA -1.801 61.371 63.100 0.120 0.000 0.789 785 P CB 0.316 32.098 31.700 0.136 0.000 0.933 786 P HA 0.146 nan 4.420 nan 0.000 0.265 786 P C -0.204 177.123 177.300 0.045 0.000 1.193 786 P CA 0.712 63.837 63.100 0.040 0.000 0.765 786 P CB 0.308 32.020 31.700 0.020 0.000 0.823 787 T N 1.298 115.894 114.554 0.070 0.000 3.012 787 T HA 0.380 4.733 4.350 0.005 0.000 0.330 787 T C -1.210 173.525 174.700 0.058 0.000 1.321 787 T CA -0.493 61.615 62.100 0.013 0.000 1.067 787 T CB 0.652 69.463 68.868 -0.094 0.000 1.235 787 T HN 0.103 nan 8.240 nan 0.000 0.479 788 S N 3.018 118.735 115.700 0.028 0.000 2.422 788 S HA 0.555 5.028 4.470 0.005 0.000 0.298 788 S C -0.212 174.403 174.600 0.025 0.000 1.118 788 S CA -0.539 57.690 58.200 0.048 0.000 1.083 788 S CB 0.158 63.380 63.200 0.037 0.000 0.971 788 S HN 0.594 nan 8.310 nan 0.000 0.478 789 V N 6.290 126.225 119.914 0.034 0.000 2.427 789 V HA 0.288 4.411 4.120 0.005 0.000 0.268 789 V C 0.614 176.776 176.094 0.114 0.000 1.046 789 V CA -0.446 61.870 62.300 0.026 0.000 0.970 789 V CB 0.587 32.403 31.823 -0.012 0.000 1.001 789 V HN 0.955 nan 8.190 nan 0.000 0.476 790 S N 5.612 121.393 115.700 0.135 0.000 2.646 790 S HA 0.834 5.307 4.470 0.005 0.000 0.276 790 S C -0.778 173.957 174.600 0.225 0.000 1.222 790 S CA -0.641 57.635 58.200 0.127 0.000 1.014 790 S CB 1.365 64.619 63.200 0.090 0.000 0.991 790 S HN 0.785 nan 8.310 nan 0.000 0.533 791 Y N -1.436 118.884 120.300 0.034 0.000 2.571 791 Y HA 0.684 5.237 4.550 0.005 0.000 0.341 791 Y C -1.095 174.812 175.900 0.011 0.000 1.076 791 Y CA -1.309 56.809 58.100 0.030 0.000 1.029 791 Y CB 0.994 39.462 38.460 0.013 0.000 1.308 791 Y HN 0.627 nan 8.280 nan 0.000 0.461 792 Q N 3.299 123.148 119.800 0.082 0.000 2.274 792 Q HA 0.582 4.925 4.340 0.005 0.000 0.260 792 Q C -1.253 174.828 176.000 0.135 0.000 0.974 792 Q CA -1.007 54.807 55.803 0.018 0.000 0.876 792 Q CB 2.889 31.629 28.738 0.002 0.000 1.297 792 Q HN 0.829 nan 8.270 nan 0.000 0.446 793 M N 2.130 121.790 119.600 0.100 0.000 2.393 793 M HA 0.388 4.871 4.480 0.005 0.000 0.316 793 M C -1.547 174.780 176.300 0.045 0.000 1.087 793 M CA -0.532 54.837 55.300 0.115 0.000 0.937 793 M CB 1.404 34.104 32.600 0.167 0.000 1.668 793 M HN 0.422 nan 8.290 nan 0.000 0.438 794 K N 4.411 124.829 120.400 0.030 0.000 2.507 794 K HA 0.332 4.655 4.320 0.005 0.000 0.253 794 K C -1.567 175.033 176.600 -0.000 0.000 0.969 794 K CA -0.383 55.910 56.287 0.009 0.000 0.908 794 K CB 1.467 33.969 32.500 0.004 0.000 1.127 794 K HN 0.819 nan 8.250 nan 0.000 0.437 795 Q N 3.037 122.835 119.800 -0.003 0.000 2.293 795 Q HA 0.318 4.661 4.340 0.005 0.000 0.261 795 Q C -0.944 175.048 176.000 -0.014 0.000 0.960 795 Q CA -0.456 55.340 55.803 -0.012 0.000 0.882 795 Q CB 1.601 30.332 28.738 -0.011 0.000 1.275 795 Q HN 0.793 nan 8.270 nan 0.000 0.445 796 T N -0.481 114.062 114.554 -0.019 0.000 2.742 796 T HA 0.359 4.712 4.350 0.005 0.000 0.282 796 T C -0.548 174.140 174.700 -0.020 0.000 1.025 796 T CA -1.032 61.058 62.100 -0.017 0.000 1.020 796 T CB 0.887 69.746 68.868 -0.015 0.000 1.317 796 T HN 0.424 nan 8.240 nan 0.000 0.538 797 D N 0.489 120.880 120.400 -0.016 0.000 2.450 797 D HA 0.392 5.035 4.640 0.005 0.000 0.247 797 D C 1.555 177.842 176.300 -0.022 0.000 1.162 797 D CA 1.888 55.878 54.000 -0.017 0.000 0.879 797 D CB 0.562 41.355 40.800 -0.011 0.000 1.163 797 D HN 1.127 nan 8.370 nan 0.000 0.472 798 G N 2.429 111.213 108.800 -0.027 0.000 2.184 798 G HA2 -0.314 3.649 3.960 0.005 0.000 0.264 798 G HA3 -0.314 3.649 3.960 0.005 0.000 0.264 798 G C 0.470 175.341 174.900 -0.049 0.000 0.975 798 G CA 0.834 45.914 45.100 -0.033 0.000 0.642 798 G HN 0.629 nan 8.290 nan 0.000 0.536 799 K N -0.833 119.537 120.400 -0.050 0.000 2.543 799 K HA 0.586 4.909 4.320 0.005 0.000 0.255 799 K C -1.358 175.207 176.600 -0.059 0.000 0.934 799 K CA -0.621 55.630 56.287 -0.060 0.000 0.810 799 K CB 1.332 33.804 32.500 -0.046 0.000 1.315 799 K HN 0.175 nan 8.250 nan 0.000 0.433 800 C N 3.359 122.611 119.300 -0.079 0.000 2.346 800 C HA 0.389 4.852 4.460 0.005 0.000 0.326 800 C C -0.838 174.116 174.990 -0.059 0.000 1.224 800 C CA -0.698 58.280 59.018 -0.067 0.000 1.408 800 C CB 0.745 28.430 27.740 -0.092 0.000 2.089 800 C HN 0.797 nan 8.230 nan 0.000 0.456 801 E N 3.147 123.331 120.200 -0.028 0.000 2.146 801 E HA 0.525 4.878 4.350 0.005 0.000 0.282 801 E C -0.942 175.666 176.600 0.014 0.000 0.989 801 E CA -0.095 56.297 56.400 -0.013 0.000 0.799 801 E CB 1.029 30.724 29.700 -0.007 0.000 1.088 801 E HN 0.565 nan 8.360 nan 0.000 0.397 802 L N 2.607 123.842 121.223 0.019 0.000 2.322 802 L HA 0.452 4.795 4.340 0.005 0.000 0.281 802 L C -0.192 176.723 176.870 0.075 0.000 1.014 802 L CA -0.745 54.132 54.840 0.063 0.000 0.815 802 L CB 1.929 43.992 42.059 0.007 0.000 1.247 802 L HN 0.428 nan 8.230 nan 0.000 0.421 803 T N 3.918 118.540 114.554 0.113 0.000 2.770 803 T HA 0.601 4.954 4.350 0.005 0.000 0.283 803 T C -0.310 174.490 174.700 0.168 0.000 0.988 803 T CA -0.429 61.734 62.100 0.105 0.000 0.957 803 T CB 1.254 70.164 68.868 0.070 0.000 0.930 803 T HN 0.151 nan 8.240 nan 0.000 0.443 804 L N 3.635 124.961 121.223 0.170 0.000 2.322 804 L HA 0.748 5.091 4.340 0.005 0.000 0.279 804 L C -0.658 176.363 176.870 0.253 0.000 1.036 804 L CA -0.623 54.341 54.840 0.207 0.000 0.807 804 L CB 1.137 43.298 42.059 0.169 0.000 1.226 804 L HN 0.621 nan 8.230 nan 0.000 0.433 805 F N 1.473 121.460 119.950 0.062 0.000 2.608 805 F HA 0.700 5.230 4.527 0.005 0.000 0.309 805 F C -0.670 175.140 175.800 0.016 0.000 1.103 805 F CA -0.267 57.754 58.000 0.034 0.000 0.954 805 F CB 2.114 41.129 39.000 0.025 0.000 1.267 805 F HN 0.350 nan 8.300 nan 0.000 0.444 806 S N 2.160 117.350 115.700 -0.849 0.000 2.572 806 S HA 0.336 4.809 4.470 0.005 0.000 0.274 806 S C 0.296 174.378 174.600 -0.864 0.000 1.150 806 S CA 0.005 57.829 58.200 -0.626 0.000 0.944 806 S CB 1.365 64.359 63.200 -0.343 0.000 1.071 806 S HN 0.935 nan 8.310 nan 0.000 0.479 807 S N 4.393 119.806 115.700 -0.478 0.000 2.474 807 S HA 0.167 4.640 4.470 0.005 0.000 0.235 807 S C 0.638 175.165 174.600 -0.122 0.000 0.997 807 S CA 0.528 58.594 58.200 -0.223 0.000 0.949 807 S CB -0.392 62.821 63.200 0.023 0.000 0.766 807 S HN 0.676 nan 8.310 nan 0.000 0.517 808 M N 0.588 120.110 119.600 -0.131 0.000 2.644 808 M HA 0.476 4.959 4.480 0.005 0.000 0.304 808 M C -1.028 175.212 176.300 -0.100 0.000 1.215 808 M CA -1.073 54.204 55.300 -0.038 0.000 0.871 808 M CB 2.165 34.764 32.600 -0.001 0.000 1.740 808 M HN 0.138 nan 8.290 nan 0.000 0.464 809 L N 2.368 123.571 121.223 -0.033 0.000 2.578 809 L HA 0.320 4.663 4.340 0.005 0.000 0.279 809 L C -0.535 176.168 176.870 -0.279 0.000 1.227 809 L CA 0.679 55.426 54.840 -0.155 0.000 0.900 809 L CB 0.226 42.146 42.059 -0.231 0.000 1.144 809 L HN 0.727 nan 8.230 nan 0.000 0.496 810 A N 5.165 127.787 122.820 -0.329 0.000 2.304 810 A HA 0.596 4.919 4.320 0.005 0.000 0.314 810 A C -0.624 176.784 177.584 -0.293 0.000 1.187 810 A CA -0.826 50.920 52.037 -0.485 0.000 0.810 810 A CB 0.826 19.404 19.000 -0.702 0.000 1.183 810 A HN 0.668 nan 8.150 nan 0.000 0.487 811 K N 2.320 122.600 120.400 -0.200 0.000 2.227 811 K HA 0.344 4.667 4.320 0.005 0.000 0.280 811 K C -0.496 176.060 176.600 -0.073 0.000 1.041 811 K CA 0.023 56.201 56.287 -0.182 0.000 0.905 811 K CB 0.300 32.670 32.500 -0.216 0.000 1.068 811 K HN 0.669 nan 8.250 nan 0.000 0.470 812 D N 3.124 123.463 120.400 -0.103 0.000 2.735 812 D HA -0.235 4.408 4.640 0.005 0.000 0.235 812 D C 0.004 176.290 176.300 -0.023 0.000 1.175 812 D CA 1.088 55.064 54.000 -0.039 0.000 0.683 812 D CB -1.131 39.669 40.800 0.000 0.000 1.008 812 D HN 0.652 nan 8.370 nan 0.000 0.416 813 I N -2.208 118.187 120.570 -0.291 0.000 2.634 813 I HA 0.356 4.529 4.170 0.005 0.000 0.284 813 I C -0.122 175.650 176.117 -0.576 0.000 1.124 813 I CA -0.352 60.708 61.300 -0.401 0.000 1.417 813 I CB 0.592 38.280 38.000 -0.520 0.000 1.396 813 I HN -0.088 nan 8.210 nan 0.000 0.571 814 F N 7.868 127.364 119.950 -0.757 0.000 2.427 814 F HA 0.596 5.126 4.527 0.005 0.000 0.348 814 F C -0.748 174.596 175.800 -0.761 0.000 1.125 814 F CA -1.931 55.431 58.000 -1.063 0.000 0.989 814 F CB 0.990 39.440 39.000 -0.917 0.000 1.165 814 F HN 0.370 nan 8.300 nan 0.000 0.442 815 I N 5.755 125.846 120.570 -0.798 0.000 2.291 815 I HA 0.214 4.387 4.170 0.005 0.000 0.292 815 I C -0.037 175.526 176.117 -0.923 0.000 1.064 815 I CA -0.161 60.724 61.300 -0.693 0.000 1.269 815 I CB 0.714 38.532 38.000 -0.304 0.000 1.418 815 I HN 0.566 nan 8.210 nan 0.000 0.485 816 E N 6.151 125.721 120.200 -1.050 0.000 2.156 816 E HA 0.440 4.793 4.350 0.005 0.000 0.279 816 E C -0.759 175.616 176.600 -0.375 0.000 0.965 816 E CA -0.520 55.296 56.400 -0.973 0.000 0.789 816 E CB 1.324 30.359 29.700 -1.108 0.000 1.098 816 E HN 0.650 nan 8.360 nan 0.000 0.397 817 T N 1.231 115.697 114.554 -0.146 0.000 2.907 817 T HA 0.446 4.799 4.350 0.005 0.000 0.292 817 T C -2.151 172.535 174.700 -0.024 0.000 1.043 817 T CA -1.778 60.278 62.100 -0.073 0.000 1.003 817 T CB 1.761 70.601 68.868 -0.047 0.000 1.084 817 T HN 0.264 nan 8.240 nan 0.000 0.483 818 P HA 0.173 nan 4.420 nan 0.000 0.241 818 P C 0.313 177.613 177.300 0.001 0.000 1.191 818 P CA -0.210 62.885 63.100 -0.007 0.000 0.771 818 P CB 0.043 31.733 31.700 -0.016 0.000 0.929 819 L N 1.816 123.037 121.223 -0.003 0.000 2.315 819 L HA 0.174 4.517 4.340 0.005 0.000 0.283 819 L C 0.351 177.232 176.870 0.020 0.000 1.089 819 L CA -0.133 54.703 54.840 -0.006 0.000 0.833 819 L CB -0.250 41.792 42.059 -0.029 0.000 1.170 819 L HN -0.121 nan 8.230 nan 0.000 0.442 820 Q N 4.114 123.921 119.800 0.011 0.000 2.315 820 Q HA 0.196 4.539 4.340 0.005 0.000 0.289 820 Q C 1.207 177.248 176.000 0.070 0.000 1.044 820 Q CA 0.991 56.815 55.803 0.035 0.000 0.920 820 Q CB 0.584 29.303 28.738 -0.031 0.000 1.214 820 Q HN 1.021 nan 8.270 nan 0.000 0.392 821 G N 1.664 110.536 108.800 0.121 0.000 2.189 821 G HA2 -0.345 3.618 3.960 0.005 0.000 0.267 821 G HA3 -0.345 3.618 3.960 0.005 0.000 0.267 821 G C 0.448 175.390 174.900 0.070 0.000 0.975 821 G CA 0.286 45.453 45.100 0.112 0.000 0.644 821 G HN 0.954 nan 8.290 nan 0.000 0.537 822 A N 0.032 122.882 122.820 0.050 0.000 2.565 822 A HA 0.504 4.827 4.320 0.005 0.000 0.237 822 A C 0.868 178.423 177.584 -0.047 0.000 1.053 822 A CA 0.794 52.799 52.037 -0.053 0.000 0.755 822 A CB 0.143 19.060 19.000 -0.138 0.000 0.980 822 A HN 0.612 nan 8.150 nan 0.000 0.506 823 R N 0.738 121.134 120.500 -0.173 0.000 2.532 823 R HA 0.533 4.876 4.340 0.005 0.000 0.295 823 R C -1.566 174.584 176.300 -0.250 0.000 0.968 823 R CA -0.216 55.784 56.100 -0.167 0.000 0.916 823 R CB 1.361 31.552 30.300 -0.181 0.000 1.124 823 R HN 0.761 nan 8.270 nan 0.000 0.463 824 Y N -0.314 119.887 120.300 -0.165 0.000 2.409 824 Y HA 0.083 4.636 4.550 0.005 0.000 0.343 824 Y C 1.488 177.350 175.900 -0.063 0.000 0.973 824 Y CA -0.683 57.382 58.100 -0.058 0.000 1.064 824 Y CB 2.257 40.746 38.460 0.049 0.000 1.207 824 Y HN 0.720 nan 8.280 nan 0.000 0.452 825 S N -0.244 115.517 115.700 0.102 0.000 2.400 825 S HA -0.103 4.370 4.470 0.005 0.000 0.232 825 S C 0.095 174.781 174.600 0.142 0.000 1.025 825 S CA 1.502 59.744 58.200 0.070 0.000 0.993 825 S CB 0.024 63.240 63.200 0.027 0.000 0.808 825 S HN 0.745 nan 8.310 nan 0.000 0.478 826 D N -0.684 119.832 120.400 0.193 0.000 2.648 826 D HA 0.615 5.258 4.640 0.005 0.000 0.244 826 D C -1.642 174.710 176.300 0.088 0.000 1.244 826 D CA -0.456 53.644 54.000 0.167 0.000 0.772 826 D CB 1.780 42.579 40.800 -0.001 0.000 1.379 826 D HN 0.089 nan 8.370 nan 0.000 0.428 827 N N 0.424 118.948 118.700 -0.293 0.000 3.185 827 N HA 0.342 5.085 4.740 0.005 0.000 0.238 827 N C -1.193 173.985 175.510 -0.553 0.000 1.451 827 N CA -0.472 52.219 53.050 -0.599 0.000 0.888 827 N CB 0.706 38.534 38.487 -1.099 0.000 1.413 827 N HN 0.433 nan 8.380 nan 0.000 0.511 828 F N -0.300 119.307 119.950 -0.572 0.000 3.039 828 F HA -0.210 4.320 4.527 0.005 0.000 0.287 828 F C -0.519 175.146 175.800 -0.224 0.000 0.956 828 F CA 0.694 58.467 58.000 -0.378 0.000 0.971 828 F CB -1.875 36.948 39.000 -0.294 0.000 0.943 828 F HN 0.341 nan 8.300 nan 0.000 0.766 829 F N -2.164 117.745 119.950 -0.069 0.000 2.611 829 F HA 0.754 5.284 4.527 0.005 0.000 0.324 829 F C -0.026 175.728 175.800 -0.076 0.000 1.061 829 F CA -1.982 55.983 58.000 -0.058 0.000 0.954 829 F CB 0.782 39.735 39.000 -0.077 0.000 1.301 829 F HN -0.186 nan 8.300 nan 0.000 0.482 830 D N 2.266 122.769 120.400 0.172 0.000 2.351 830 D HA 0.219 4.862 4.640 0.005 0.000 0.251 830 D C -0.745 175.656 176.300 0.167 0.000 1.137 830 D CA 0.036 54.067 54.000 0.051 0.000 0.879 830 D CB 2.089 42.891 40.800 0.003 0.000 1.181 830 D HN 0.467 nan 8.370 nan 0.000 0.448 831 L N 4.110 125.364 121.223 0.052 0.000 2.261 831 L HA 0.236 4.579 4.340 0.005 0.000 0.289 831 L C -0.602 176.216 176.870 -0.087 0.000 1.059 831 L CA -0.318 54.556 54.840 0.057 0.000 0.816 831 L CB 0.338 42.399 42.059 0.003 0.000 1.191 831 L HN 0.226 nan 8.230 nan 0.000 0.431 832 L N 7.137 128.314 121.223 -0.076 0.000 2.395 832 L HA 0.391 4.734 4.340 0.005 0.000 0.269 832 L C -1.813 175.033 176.870 -0.040 0.000 1.133 832 L CA -2.011 52.781 54.840 -0.079 0.000 0.812 832 L CB 0.472 42.510 42.059 -0.034 0.000 1.125 832 L HN 0.483 nan 8.230 nan 0.000 0.452 833 P HA -0.013 nan 4.420 nan 0.000 0.262 833 P C 0.793 178.070 177.300 -0.039 0.000 1.199 833 P CA 0.642 63.738 63.100 -0.006 0.000 0.763 833 P CB 0.626 32.404 31.700 0.132 0.000 0.790 834 G N 2.672 111.335 108.800 -0.228 0.000 2.168 834 G HA2 -0.272 3.691 3.960 0.005 0.000 0.263 834 G HA3 -0.272 3.691 3.960 0.005 0.000 0.263 834 G C -0.099 174.889 174.900 0.148 0.000 0.977 834 G CA -0.056 45.006 45.100 -0.062 0.000 0.659 834 G HN 0.618 nan 8.290 nan 0.000 0.533 835 E N 1.144 121.356 120.200 0.020 0.000 2.063 835 E HA 0.296 4.649 4.350 0.005 0.000 0.265 835 E C 0.907 177.574 176.600 0.112 0.000 0.919 835 E CA -0.828 55.629 56.400 0.095 0.000 0.756 835 E CB 0.660 30.392 29.700 0.053 0.000 1.120 835 E HN 0.675 nan 8.360 nan 0.000 0.414 836 R N 1.850 122.495 120.500 0.242 0.000 2.734 836 R HA 0.208 4.551 4.340 0.005 0.000 0.266 836 R C -0.296 176.058 176.300 0.090 0.000 1.044 836 R CA -0.207 56.037 56.100 0.241 0.000 1.128 836 R CB 0.462 30.904 30.300 0.238 0.000 1.010 836 R HN 0.114 nan 8.270 nan 0.000 0.461 837 K N 1.657 122.099 120.400 0.070 0.000 2.507 837 K HA 0.235 4.558 4.320 0.005 0.000 0.251 837 K C -1.497 175.100 176.600 -0.005 0.000 0.943 837 K CA -0.643 55.628 56.287 -0.028 0.000 0.794 837 K CB 1.794 34.241 32.500 -0.088 0.000 1.188 837 K HN 0.625 nan 8.250 nan 0.000 0.428 838 K N 3.551 123.927 120.400 -0.040 0.000 2.183 838 K HA 0.497 4.820 4.320 0.005 0.000 0.274 838 K C -1.270 175.310 176.600 -0.033 0.000 1.009 838 K CA -0.755 55.523 56.287 -0.015 0.000 0.888 838 K CB 1.197 33.689 32.500 -0.013 0.000 1.078 838 K HN 0.416 nan 8.250 nan 0.000 0.459 839 V N 6.163 126.081 119.914 0.007 0.000 2.638 839 V HA 0.407 4.530 4.120 0.005 0.000 0.306 839 V C -0.467 175.630 176.094 0.005 0.000 1.052 839 V CA -0.841 61.475 62.300 0.028 0.000 0.885 839 V CB 1.776 33.668 31.823 0.114 0.000 0.999 839 V HN 0.695 nan 8.190 nan 0.000 0.424 840 I N 5.709 126.274 120.570 -0.009 0.000 2.339 840 I HA 0.486 4.659 4.170 0.005 0.000 0.290 840 I C -0.466 175.585 176.117 -0.109 0.000 0.994 840 I CA -0.250 61.021 61.300 -0.049 0.000 1.191 840 I CB 1.400 39.377 38.000 -0.039 0.000 1.343 840 I HN 0.410 nan 8.210 nan 0.000 0.458 841 I N 5.829 126.289 120.570 -0.183 0.000 2.359 841 I HA 0.416 4.589 4.170 0.005 0.000 0.294 841 I C 0.130 176.102 176.117 -0.241 0.000 0.987 841 I CA -0.324 60.765 61.300 -0.351 0.000 1.225 841 I CB 1.829 39.536 38.000 -0.489 0.000 1.366 841 I HN 0.566 nan 8.210 nan 0.000 0.466 842 T N 1.486 115.897 114.554 -0.239 0.000 2.900 842 T HA 0.734 5.087 4.350 0.005 0.000 0.295 842 T C -0.603 174.017 174.700 -0.134 0.000 1.044 842 T CA -0.864 61.147 62.100 -0.148 0.000 0.995 842 T CB 1.980 70.787 68.868 -0.101 0.000 1.072 842 T HN 0.593 nan 8.240 nan 0.000 0.473 843 S N 1.862 117.508 115.700 -0.091 0.000 2.556 843 S HA 0.500 4.973 4.470 0.005 0.000 0.280 843 S C -2.446 172.130 174.600 -0.040 0.000 1.141 843 S CA -1.055 57.108 58.200 -0.062 0.000 0.883 843 S CB 1.781 64.941 63.200 -0.067 0.000 1.103 843 S HN 0.507 nan 8.310 nan 0.000 0.453 844 P HA -0.009 nan 4.420 nan 0.000 0.225 844 P C 0.694 177.987 177.300 -0.012 0.000 1.148 844 P CA 0.734 63.827 63.100 -0.012 0.000 0.779 844 P CB -0.032 31.668 31.700 0.000 0.000 0.780 845 R N -0.801 119.689 120.500 -0.016 0.000 2.317 845 R HA 0.231 4.574 4.340 0.005 0.000 0.208 845 R C 0.904 177.190 176.300 -0.023 0.000 0.914 845 R CA -0.221 55.871 56.100 -0.014 0.000 1.060 845 R CB -0.173 30.122 30.300 -0.009 0.000 1.015 845 R HN 0.256 nan 8.270 nan 0.000 0.498 846 I N 2.225 122.775 120.570 -0.034 0.000 2.533 846 I HA -0.019 4.154 4.170 0.005 0.000 0.284 846 I C 0.211 176.312 176.117 -0.027 0.000 1.109 846 I CA 0.593 61.870 61.300 -0.038 0.000 1.412 846 I CB 0.514 38.481 38.000 -0.056 0.000 1.396 846 I HN -0.148 nan 8.210 nan 0.000 0.543 847 K N 6.326 126.712 120.400 -0.022 0.000 2.221 847 K HA 0.343 4.666 4.320 0.005 0.000 0.258 847 K C -0.358 176.233 176.600 -0.015 0.000 0.944 847 K CA -1.050 55.228 56.287 -0.015 0.000 0.823 847 K CB 1.914 34.407 32.500 -0.011 0.000 1.113 847 K HN 0.405 nan 8.250 nan 0.000 0.431 848 K N 0.810 121.203 120.400 -0.013 0.000 2.484 848 K HA -0.057 4.266 4.320 0.005 0.000 0.280 848 K C 0.599 177.193 176.600 -0.009 0.000 1.013 848 K CA 1.263 57.543 56.287 -0.011 0.000 1.029 848 K CB 0.135 32.629 32.500 -0.009 0.000 0.902 848 K HN 0.872 nan 8.250 nan 0.000 0.481 849 G N 3.239 112.033 108.800 -0.009 0.000 2.160 849 G HA2 -0.299 3.664 3.960 0.005 0.000 0.251 849 G HA3 -0.299 3.664 3.960 0.005 0.000 0.251 849 G C -0.050 174.845 174.900 -0.008 0.000 1.008 849 G CA 0.675 45.771 45.100 -0.008 0.000 0.724 849 G HN 0.701 nan 8.290 nan 0.000 0.514 850 E N 0.288 120.482 120.200 -0.009 0.000 3.108 850 E HA 0.339 4.692 4.350 0.005 0.000 0.228 850 E C 0.238 176.832 176.600 -0.011 0.000 1.176 850 E CA -0.555 55.839 56.400 -0.009 0.000 0.881 850 E CB 0.115 29.809 29.700 -0.010 0.000 1.354 850 E HN 0.451 nan 8.360 nan 0.000 0.400 851 E N 3.038 123.234 120.200 -0.007 0.000 2.585 851 E HA -0.080 4.273 4.350 0.005 0.000 0.252 851 E C -0.438 176.157 176.600 -0.009 0.000 0.981 851 E CA -0.189 56.208 56.400 -0.004 0.000 0.943 851 E CB 0.463 30.165 29.700 0.004 0.000 0.923 851 E HN 0.376 nan 8.360 nan 0.000 0.486 852 L N 8.054 129.267 121.223 -0.017 0.000 2.477 852 L HA 0.204 4.547 4.340 0.005 0.000 0.272 852 L C -2.296 174.557 176.870 -0.030 0.000 1.157 852 L CA -1.256 53.563 54.840 -0.034 0.000 0.889 852 L CB 0.454 42.476 42.059 -0.061 0.000 1.158 852 L HN 0.443 nan 8.230 nan 0.000 0.473 853 P HA 0.192 nan 4.420 nan 0.000 0.268 853 P C -1.316 175.939 177.300 -0.074 0.000 1.204 853 P CA -0.095 62.985 63.100 -0.035 0.000 0.768 853 P CB 0.912 32.591 31.700 -0.035 0.000 0.842 854 V N 3.300 123.165 119.914 -0.081 0.000 2.623 854 V HA 0.433 4.556 4.120 0.005 0.000 0.304 854 V C -0.443 175.542 176.094 -0.181 0.000 1.054 854 V CA -0.464 61.725 62.300 -0.185 0.000 0.882 854 V CB 1.952 33.579 31.823 -0.326 0.000 1.002 854 V HN 0.499 nan 8.190 nan 0.000 0.424 855 N N 4.647 123.188 118.700 -0.265 0.000 2.491 855 N HA 0.483 5.226 4.740 0.005 0.000 0.274 855 N C -1.173 174.106 175.510 -0.384 0.000 1.023 855 N CA -0.493 52.399 53.050 -0.264 0.000 0.902 855 N CB 1.043 39.383 38.487 -0.245 0.000 1.267 855 N HN 0.498 nan 8.380 nan 0.000 0.503 856 I N 3.157 123.542 120.570 -0.308 0.000 2.304 856 I HA 0.274 4.447 4.170 0.005 0.000 0.291 856 I C 0.331 176.249 176.117 -0.331 0.000 1.018 856 I CA -0.423 60.672 61.300 -0.342 0.000 1.260 856 I CB 0.639 38.508 38.000 -0.218 0.000 1.390 856 I HN 0.392 nan 8.210 nan 0.000 0.475 857 K N 6.032 126.142 120.400 -0.483 0.000 2.123 857 K HA 0.636 4.959 4.320 0.005 0.000 0.259 857 K C -0.676 175.632 176.600 -0.487 0.000 0.960 857 K CA -0.671 55.250 56.287 -0.611 0.000 0.872 857 K CB 1.872 33.764 32.500 -1.013 0.000 1.079 857 K HN 0.712 nan 8.250 nan 0.000 0.440 858 H N -1.619 117.212 119.070 -0.397 0.000 2.990 858 H HA 0.295 4.854 4.556 0.005 0.000 0.336 858 H C 0.317 175.659 175.328 0.022 0.000 1.306 858 H CA -0.950 55.008 56.048 -0.149 0.000 1.118 858 H CB 0.401 30.062 29.762 -0.169 0.000 1.856 858 H HN 0.283 nan 8.280 nan 0.000 0.538 859 I N 0.064 120.768 120.570 0.224 0.000 2.179 859 I HA -0.142 4.031 4.170 0.005 0.000 0.242 859 I C 2.417 178.520 176.117 -0.024 0.000 1.088 859 I CA 1.270 62.680 61.300 0.184 0.000 1.357 859 I CB -0.760 37.337 38.000 0.162 0.000 1.051 859 I HN 0.705 nan 8.210 nan 0.000 0.409 860 R N 1.759 122.208 120.500 -0.086 0.000 2.170 860 R HA -0.179 4.164 4.340 0.005 0.000 0.242 860 R C 1.918 177.842 176.300 -0.626 0.000 1.145 860 R CA 1.334 57.183 56.100 -0.418 0.000 0.984 860 R CB -0.424 29.819 30.300 -0.095 0.000 0.869 860 R HN 0.427 nan 8.270 nan 0.000 0.455 861 E N -0.844 119.011 120.200 -0.575 0.000 2.418 861 E HA -0.086 4.267 4.350 0.005 0.000 0.197 861 E C 1.058 177.472 176.600 -0.309 0.000 1.026 861 E CA 1.414 57.523 56.400 -0.485 0.000 0.862 861 E CB 0.064 29.397 29.700 -0.612 0.000 0.799 861 E HN 0.577 nan 8.360 nan 0.000 0.518 862 T N -1.729 112.673 114.554 -0.253 0.000 3.129 862 T HA 0.014 4.367 4.350 0.005 0.000 0.251 862 T C 0.348 175.107 174.700 0.099 0.000 1.117 862 T CA -0.118 61.973 62.100 -0.015 0.000 1.034 862 T CB -0.377 68.576 68.868 0.142 0.000 0.968 862 T HN 0.233 nan 8.240 nan 0.000 0.526 863 Y N -1.591 118.709 120.300 0.001 0.000 2.656 863 Y HA 0.792 5.345 4.550 0.005 0.000 0.334 863 Y C -0.811 175.094 175.900 0.008 0.000 1.179 863 Y CA -1.887 56.221 58.100 0.012 0.000 1.050 863 Y CB 1.142 39.616 38.460 0.023 0.000 1.308 863 Y HN -0.241 nan 8.280 nan 0.000 0.456 864 K N 0.000 120.551 120.400 0.251 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.381 56.287 0.157 0.000 0.838 864 K CB 0.000 32.553 32.500 0.088 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543