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 2vjx_1_B DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG DRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK HIRETYKEH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.508 175.510 -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 38.481 38.487 -0.009 0.000 1.341 29 D N -0.758 119.645 120.400 0.005 0.000 2.752 29 D HA 0.347 4.987 4.640 -0.000 0.000 0.313 29 D C 0.429 176.745 176.300 0.027 0.000 1.225 29 D CA 0.360 54.366 54.000 0.010 0.000 0.976 29 D CB 0.462 41.264 40.800 0.003 0.000 1.443 29 D HN -0.019 nan 8.370 nan 0.000 0.515 30 T N -2.624 111.953 114.554 0.039 0.000 3.148 30 T HA 0.191 4.541 4.350 -0.000 0.000 0.253 30 T C 0.716 175.464 174.700 0.080 0.000 1.134 30 T CA 0.228 62.358 62.100 0.050 0.000 1.051 30 T CB -0.916 67.980 68.868 0.047 0.000 0.959 30 T HN 0.554 nan 8.240 nan 0.000 0.525 31 S N 0.545 116.302 115.700 0.095 0.000 2.593 31 S HA 0.323 4.793 4.470 -0.000 0.000 0.269 31 S C -0.256 174.423 174.600 0.131 0.000 1.334 31 S CA -0.896 57.392 58.200 0.147 0.000 1.015 31 S CB 1.249 64.535 63.200 0.144 0.000 0.912 31 S HN 0.602 nan 8.310 nan 0.000 0.541 32 E N 0.765 121.083 120.200 0.196 0.000 2.187 32 E HA 0.549 4.899 4.350 -0.000 0.000 0.268 32 E C -1.634 175.123 176.600 0.261 0.000 0.896 32 E CA -0.930 55.583 56.400 0.187 0.000 0.766 32 E CB 1.622 31.409 29.700 0.146 0.000 1.142 32 E HN 0.544 nan 8.360 nan 0.000 0.408 33 V N 5.539 125.552 119.914 0.166 0.000 2.495 33 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 33 V C -0.092 176.081 176.094 0.132 0.000 1.031 33 V CA -0.706 61.673 62.300 0.133 0.000 0.871 33 V CB 1.589 33.446 31.823 0.055 0.000 0.988 33 V HN 0.800 nan 8.190 nan 0.000 0.432 34 M N 6.112 125.795 119.600 0.140 0.000 2.167 34 M HA 0.583 5.063 4.480 -0.000 0.000 0.333 34 M C -1.603 174.703 176.300 0.011 0.000 1.030 34 M CA -0.548 54.811 55.300 0.100 0.000 0.963 34 M CB 1.202 33.916 32.600 0.189 0.000 1.589 34 M HN 0.524 nan 8.290 nan 0.000 0.431 35 L N 6.119 127.353 121.223 0.019 0.000 2.290 35 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 35 L C -0.465 176.424 176.870 0.031 0.000 1.078 35 L CA -0.412 54.437 54.840 0.015 0.000 0.815 35 L CB 0.897 42.978 42.059 0.037 0.000 1.162 35 L HN 0.736 nan 8.230 nan 0.000 0.435 36 L N 4.526 125.775 121.223 0.042 0.000 2.422 36 L HA 0.141 4.481 4.340 -0.000 0.000 0.256 36 L C 0.076 177.196 176.870 0.417 0.000 1.202 36 L CA -0.097 54.828 54.840 0.140 0.000 1.119 36 L CB -0.229 41.884 42.059 0.090 0.000 1.383 36 L HN 0.711 nan 8.230 nan 0.000 0.411 37 D N -1.243 119.341 120.400 0.307 0.000 2.503 37 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 37 D C 0.488 176.995 176.300 0.346 0.000 1.183 37 D CA -0.041 54.145 54.000 0.308 0.000 0.827 37 D CB 0.527 41.420 40.800 0.156 0.000 1.034 37 D HN 0.325 nan 8.370 nan 0.000 0.510 38 T N -5.281 109.484 114.554 0.352 0.000 2.864 38 T HA 0.534 4.884 4.350 -0.000 0.000 0.299 38 T C 0.920 175.749 174.700 0.214 0.000 1.166 38 T CA -0.256 62.016 62.100 0.287 0.000 1.007 38 T CB 1.685 70.654 68.868 0.168 0.000 1.219 38 T HN 0.392 nan 8.240 nan 0.000 0.506 39 G N -0.263 108.655 108.800 0.197 0.000 2.162 39 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 39 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 39 G C -0.162 174.808 174.900 0.116 0.000 0.976 39 G CA -0.025 45.138 45.100 0.106 0.000 0.655 39 G HN 0.814 nan 8.290 nan 0.000 0.533 40 W N 0.788 122.200 121.300 0.188 0.000 2.251 40 W HA 0.651 5.311 4.660 -0.000 0.000 0.329 40 W C 0.794 177.484 176.519 0.285 0.000 1.234 40 W CA -0.305 57.189 57.345 0.248 0.000 1.228 40 W CB 0.659 30.303 29.460 0.306 0.000 1.135 40 W HN 0.180 nan 8.180 nan 0.000 0.576 41 E N 1.665 122.222 120.200 0.594 0.000 2.369 41 E HA 0.577 4.927 4.350 -0.000 0.000 0.270 41 E C -1.299 175.713 176.600 0.686 0.000 0.909 41 E CA -1.153 55.590 56.400 0.571 0.000 0.775 41 E CB 2.389 32.334 29.700 0.408 0.000 1.270 41 E HN 0.337 nan 8.360 nan 0.000 0.445 42 F N -1.175 118.921 119.950 0.243 0.000 2.629 42 F HA 0.827 5.354 4.527 -0.000 0.000 0.316 42 F C -0.826 174.789 175.800 -0.310 0.000 1.081 42 F CA -0.813 57.050 58.000 -0.228 0.000 0.954 42 F CB 2.136 40.603 39.000 -0.888 0.000 1.337 42 F HN 0.330 nan 8.300 nan 0.000 0.474 43 S N 1.286 116.501 115.700 -0.807 0.000 2.546 43 S HA 0.221 4.691 4.470 -0.000 0.000 0.272 43 S C -1.554 172.755 174.600 -0.485 0.000 1.140 43 S CA -0.680 56.906 58.200 -1.024 0.000 0.920 43 S CB 1.669 63.693 63.200 -1.959 0.000 1.083 43 S HN 0.995 nan 8.310 nan 0.000 0.476 44 Q N 2.845 122.392 119.800 -0.422 0.000 2.255 44 Q HA 0.193 4.533 4.340 -0.000 0.000 0.280 44 Q C -0.099 175.539 176.000 -0.605 0.000 1.068 44 Q CA 0.202 55.537 55.803 -0.780 0.000 0.911 44 Q CB 0.476 28.818 28.738 -0.659 0.000 1.157 44 Q HN 0.645 nan 8.270 nan 0.000 0.380 45 S N 2.814 118.151 115.700 -0.604 0.000 2.552 45 S HA 0.309 4.779 4.470 -0.000 0.000 0.289 45 S C 1.002 175.455 174.600 -0.246 0.000 1.304 45 S CA 1.062 59.047 58.200 -0.359 0.000 1.063 45 S CB 0.122 63.137 63.200 -0.309 0.000 0.848 45 S HN 1.023 nan 8.310 nan 0.000 0.499 46 G N 2.757 111.469 108.800 -0.146 0.000 2.213 46 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.236 46 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.236 46 G C 0.874 175.702 174.900 -0.120 0.000 0.991 46 G CA 1.049 46.089 45.100 -0.100 0.000 0.629 46 G HN 1.218 nan 8.290 nan 0.000 0.517 47 T N -1.905 112.536 114.554 -0.189 0.000 3.051 47 T HA 0.362 4.712 4.350 -0.000 0.000 0.255 47 T C 1.159 175.772 174.700 -0.145 0.000 1.085 47 T CA 1.286 63.280 62.100 -0.176 0.000 1.109 47 T CB -0.124 68.609 68.868 -0.225 0.000 0.921 47 T HN 0.871 nan 8.240 nan 0.000 0.488 48 E N 0.153 120.260 120.200 -0.154 0.000 3.065 48 E HA -0.209 4.141 4.350 -0.000 0.000 0.277 48 E C 0.032 176.604 176.600 -0.045 0.000 1.008 48 E CA 0.741 57.124 56.400 -0.028 0.000 0.864 48 E CB -1.215 28.522 29.700 0.061 0.000 1.439 48 E HN 0.644 nan 8.360 nan 0.000 0.445 49 K N 0.778 121.020 120.400 -0.263 0.000 2.293 49 K HA 0.357 4.677 4.320 -0.000 0.000 0.267 49 K C -1.190 175.159 176.600 -0.419 0.000 1.010 49 K CA -0.560 55.604 56.287 -0.206 0.000 0.875 49 K CB 0.676 33.060 32.500 -0.193 0.000 1.106 49 K HN -0.010 nan 8.250 nan 0.000 0.450 50 W N 4.831 126.047 121.300 -0.140 0.000 2.606 50 W HA 0.454 5.114 4.660 0.000 0.000 0.332 50 W C -0.230 176.177 176.519 -0.186 0.000 1.052 50 W CA -0.829 56.415 57.345 -0.168 0.000 1.223 50 W CB 1.567 30.985 29.460 -0.070 0.000 1.383 50 W HN 0.199 nan 8.180 nan 0.000 0.524 51 M N 2.856 122.444 119.600 -0.021 0.000 2.593 51 M HA 0.387 4.867 4.480 -0.000 0.000 0.290 51 M C -2.575 173.895 176.300 0.283 0.000 1.244 51 M CA -2.670 52.604 55.300 -0.043 0.000 0.857 51 M CB 1.601 33.953 32.600 -0.413 0.000 1.738 51 M HN 0.003 nan 8.290 nan 0.000 0.461 52 P HA 0.249 nan 4.420 nan 0.000 0.266 52 P C -1.160 176.511 177.300 0.619 0.000 1.195 52 P CA 0.137 63.513 63.100 0.461 0.000 0.768 52 P CB 0.540 32.477 31.700 0.395 0.000 0.838 53 A N 2.491 125.619 122.820 0.513 0.000 2.430 53 A HA 0.761 5.081 4.320 -0.000 0.000 0.300 53 A C -0.640 177.105 177.584 0.268 0.000 1.124 53 A CA -0.386 51.876 52.037 0.374 0.000 0.766 53 A CB 1.038 20.320 19.000 0.470 0.000 1.328 53 A HN 0.392 nan 8.150 nan 0.000 0.424 54 T N 0.885 115.504 114.554 0.110 0.000 2.779 54 T HA 0.575 4.925 4.350 -0.000 0.000 0.280 54 T C -0.907 173.755 174.700 -0.064 0.000 0.987 54 T CA -0.242 61.892 62.100 0.056 0.000 0.966 54 T CB 1.043 69.921 68.868 0.018 0.000 0.933 54 T HN 0.524 nan 8.240 nan 0.000 0.442 55 V N 5.903 125.746 119.914 -0.120 0.000 2.577 55 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 55 V C -2.293 173.713 176.094 -0.146 0.000 1.042 55 V CA -2.066 60.037 62.300 -0.329 0.000 0.872 55 V CB 1.944 33.178 31.823 -0.982 0.000 0.998 55 V HN 0.691 nan 8.190 nan 0.000 0.423 56 P HA 0.554 nan 4.420 nan 0.000 0.269 56 P C 0.166 177.394 177.300 -0.120 0.000 1.215 56 P CA 0.326 63.340 63.100 -0.143 0.000 0.780 56 P CB 0.898 32.552 31.700 -0.076 0.000 0.898 57 G N -0.141 108.567 108.800 -0.153 0.000 2.427 57 G HA2 0.581 4.541 3.960 -0.000 0.000 0.306 57 G HA3 0.581 4.541 3.960 -0.000 0.000 0.306 57 G C -1.489 173.293 174.900 -0.198 0.000 1.280 57 G CA -0.345 44.672 45.100 -0.139 0.000 0.837 57 G HN 0.648 nan 8.290 nan 0.000 0.482 58 T N -2.644 111.780 114.554 -0.216 0.000 2.906 58 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 58 T C 1.015 175.513 174.700 -0.337 0.000 1.075 58 T CA 0.059 62.000 62.100 -0.265 0.000 1.005 58 T CB 1.600 70.366 68.868 -0.169 0.000 1.136 58 T HN 0.760 nan 8.240 nan 0.000 0.498 59 V N 0.992 120.653 119.914 -0.421 0.000 2.287 59 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 59 V C 2.476 178.170 176.094 -0.667 0.000 1.053 59 V CA 2.152 64.056 62.300 -0.661 0.000 1.027 59 V CB -1.205 30.001 31.823 -1.028 0.000 0.646 59 V HN 0.980 nan 8.190 nan 0.000 0.447 60 H N -0.524 118.240 119.070 -0.511 0.000 2.352 60 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 60 H C 2.296 177.447 175.328 -0.295 0.000 1.097 60 H CA 2.020 57.831 56.048 -0.394 0.000 1.311 60 H CB -0.186 29.377 29.762 -0.331 0.000 1.377 60 H HN 0.386 nan 8.280 nan 0.000 0.504 61 Q N 0.655 120.364 119.800 -0.151 0.000 2.123 61 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 61 Q C 1.341 177.231 176.000 -0.184 0.000 0.966 61 Q CA 1.546 57.265 55.803 -0.140 0.000 0.845 61 Q CB -0.036 28.635 28.738 -0.110 0.000 0.907 61 Q HN 0.409 nan 8.270 nan 0.000 0.439 62 D N -0.168 120.043 120.400 -0.314 0.000 2.117 62 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 62 D C 1.876 178.112 176.300 -0.106 0.000 0.987 62 D CA 1.084 54.841 54.000 -0.404 0.000 0.829 62 D CB -0.104 40.038 40.800 -1.098 0.000 0.961 62 D HN 0.314 nan 8.370 nan 0.000 0.460 63 L N 0.508 121.664 121.223 -0.110 0.000 2.017 63 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 63 L C 2.604 179.542 176.870 0.114 0.000 1.073 63 L CA 0.786 55.710 54.840 0.139 0.000 0.745 63 L CB -0.382 41.670 42.059 -0.011 0.000 0.894 63 L HN 0.006 nan 8.230 nan 0.000 0.432 64 I N -0.617 119.956 120.570 0.005 0.000 2.163 64 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 64 I C 2.553 178.667 176.117 -0.006 0.000 1.085 64 I CA 1.340 62.643 61.300 0.005 0.000 1.347 64 I CB -0.308 37.669 38.000 -0.039 0.000 1.044 64 I HN 0.165 nan 8.210 nan 0.000 0.408 65 S N -0.854 114.801 115.700 -0.075 0.000 2.442 65 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 65 S C 1.436 175.892 174.600 -0.240 0.000 1.007 65 S CA 0.906 59.002 58.200 -0.172 0.000 0.965 65 S CB -0.334 62.709 63.200 -0.260 0.000 0.773 65 S HN 0.445 nan 8.310 nan 0.000 0.504 66 H N 0.676 119.811 119.070 0.109 0.000 2.520 66 H HA 0.249 4.805 4.556 -0.000 0.000 0.284 66 H C 0.049 175.441 175.328 0.107 0.000 1.037 66 H CA 0.022 56.145 56.048 0.125 0.000 1.168 66 H CB -0.069 29.800 29.762 0.179 0.000 1.497 66 H HN 0.467 nan 8.280 nan 0.000 0.547 67 E N 0.720 121.015 120.200 0.158 0.000 2.360 67 E HA -0.206 4.144 4.350 -0.000 0.000 0.238 67 E C 0.337 177.034 176.600 0.161 0.000 1.186 67 E CA 0.091 56.569 56.400 0.130 0.000 0.719 67 E CB -1.431 28.330 29.700 0.102 0.000 1.236 67 E HN 0.474 nan 8.360 nan 0.000 0.386 68 L N -0.431 120.916 121.223 0.207 0.000 2.607 68 L HA 0.286 4.626 4.340 -0.000 0.000 0.228 68 L C 0.642 177.686 176.870 0.290 0.000 1.123 68 L CA 0.264 55.250 54.840 0.243 0.000 0.890 68 L CB 0.275 42.514 42.059 0.299 0.000 1.103 68 L HN 0.123 nan 8.230 nan 0.000 0.468 69 L N 0.127 121.478 121.223 0.213 0.000 2.409 69 L HA 0.516 4.856 4.340 -0.000 0.000 0.262 69 L C -2.329 174.629 176.870 0.147 0.000 0.992 69 L CA -1.739 53.225 54.840 0.206 0.000 0.817 69 L CB 2.840 44.971 42.059 0.120 0.000 1.350 69 L HN -0.205 nan 8.230 nan 0.000 0.411 70 P HA 0.075 nan 4.420 nan 0.000 0.276 70 P C -0.952 176.417 177.300 0.115 0.000 1.261 70 P CA -0.559 62.620 63.100 0.132 0.000 0.800 70 P CB 0.476 32.271 31.700 0.160 0.000 1.066 71 N N 1.305 120.075 118.700 0.116 0.000 2.429 71 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 71 N C -1.660 173.952 175.510 0.171 0.000 1.272 71 N CA -1.415 51.699 53.050 0.107 0.000 0.921 71 N CB -0.189 38.391 38.487 0.155 0.000 1.128 71 N HN 0.124 nan 8.380 nan 0.000 0.481 72 P HA -0.034 nan 4.420 nan 0.000 0.222 72 P C 0.538 178.099 177.300 0.435 0.000 1.147 72 P CA 0.939 64.129 63.100 0.150 0.000 0.790 72 P CB 0.044 31.744 31.700 -0.001 0.000 0.780 73 F N -2.982 117.150 119.950 0.303 0.000 2.789 73 F HA 0.155 4.682 4.527 -0.000 0.000 0.300 73 F C 0.991 177.131 175.800 0.568 0.000 1.132 73 F CA -1.023 57.263 58.000 0.477 0.000 1.404 73 F CB -1.373 37.862 39.000 0.392 0.000 1.114 73 F HN -0.071 nan 8.300 nan 0.000 0.584 74 Y N 0.542 121.163 120.300 0.535 0.000 2.308 74 Y HA 0.490 5.040 4.550 -0.000 0.000 0.329 74 Y C 1.233 177.397 175.900 0.441 0.000 1.111 74 Y CA 0.079 58.448 58.100 0.448 0.000 1.179 74 Y CB 0.636 39.277 38.460 0.302 0.000 1.201 74 Y HN 0.279 nan 8.280 nan 0.000 0.483 75 G N 4.727 113.371 108.800 -0.261 0.000 2.685 75 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.329 75 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.329 75 G C 0.537 175.604 174.900 0.278 0.000 1.271 75 G CA 0.883 45.963 45.100 -0.034 0.000 1.003 75 G HN 0.593 nan 8.290 nan 0.000 0.549 76 M N 2.061 121.798 119.600 0.229 0.000 2.493 76 M HA 0.204 4.684 4.480 -0.000 0.000 0.244 76 M C 1.595 178.011 176.300 0.194 0.000 1.182 76 M CA -0.074 55.342 55.300 0.194 0.000 0.981 76 M CB -0.450 32.240 32.600 0.150 0.000 1.551 76 M HN 0.405 nan 8.290 nan 0.000 0.476 77 N N 1.187 120.035 118.700 0.247 0.000 2.520 77 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 77 N C 1.551 177.164 175.510 0.171 0.000 1.068 77 N CA 0.651 53.838 53.050 0.229 0.000 0.911 77 N CB -0.054 38.603 38.487 0.284 0.000 0.961 77 N HN 0.539 nan 8.380 nan 0.000 0.446 78 E N 1.100 121.380 120.200 0.133 0.000 2.058 78 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 78 E C 1.792 178.428 176.600 0.060 0.000 0.997 78 E CA 1.257 57.687 56.400 0.050 0.000 0.801 78 E CB 0.126 29.811 29.700 -0.026 0.000 0.746 78 E HN 0.025 nan 8.360 nan 0.000 0.450 79 K N 0.511 120.959 120.400 0.080 0.000 2.147 79 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 79 K C 1.870 178.551 176.600 0.135 0.000 1.049 79 K CA 1.594 57.934 56.287 0.089 0.000 0.936 79 K CB -0.230 32.319 32.500 0.081 0.000 0.722 79 K HN 0.258 nan 8.250 nan 0.000 0.446 80 K N 0.078 120.574 120.400 0.161 0.000 2.365 80 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 80 K C 1.760 178.550 176.600 0.316 0.000 1.045 80 K CA 1.430 57.851 56.287 0.223 0.000 0.962 80 K CB -0.128 32.495 32.500 0.205 0.000 0.759 80 K HN 0.574 nan 8.250 nan 0.000 0.469 81 I N -2.759 117.929 120.570 0.196 0.000 4.018 81 I HA 0.071 4.241 4.170 -0.000 0.000 0.337 81 I C 1.370 177.446 176.117 -0.070 0.000 1.327 81 I CA -0.090 61.253 61.300 0.072 0.000 1.100 81 I CB 0.427 38.459 38.000 0.054 0.000 1.025 81 I HN -0.212 nan 8.210 nan 0.000 0.396 82 Q N 1.626 121.468 119.800 0.070 0.000 2.297 82 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 82 Q C 1.799 177.852 176.000 0.088 0.000 0.962 82 Q CA 1.680 57.520 55.803 0.062 0.000 0.879 82 Q CB -0.542 28.258 28.738 0.102 0.000 0.947 82 Q HN 0.928 nan 8.270 nan 0.000 0.462 83 W N 0.369 121.735 121.300 0.111 0.000 2.331 83 W HA -0.159 4.501 4.660 -0.000 0.000 0.291 83 W C 1.353 177.968 176.519 0.160 0.000 1.214 83 W CA 0.820 58.234 57.345 0.115 0.000 1.228 83 W CB -1.158 28.360 29.460 0.096 0.000 1.135 83 W HN -0.113 nan 8.180 nan 0.000 0.537 84 V N 2.781 122.342 119.914 -0.588 0.000 2.324 84 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 84 V C 2.724 178.859 176.094 0.069 0.000 1.060 84 V CA 2.801 64.793 62.300 -0.515 0.000 1.042 84 V CB -1.192 30.001 31.823 -1.049 0.000 0.650 84 V HN 0.375 nan 8.190 nan 0.000 0.450 85 E N 0.144 120.373 120.200 0.049 0.000 2.338 85 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 85 E C 1.473 178.173 176.600 0.166 0.000 1.007 85 E CA 1.255 57.725 56.400 0.115 0.000 0.849 85 E CB -0.289 29.448 29.700 0.061 0.000 0.774 85 E HN 0.585 nan 8.360 nan 0.000 0.506 86 N N 0.580 119.392 118.700 0.186 0.000 2.353 86 N HA 0.037 4.777 4.740 -0.000 0.000 0.185 86 N C -0.209 175.380 175.510 0.132 0.000 1.098 86 N CA 0.387 53.538 53.050 0.168 0.000 0.872 86 N CB 0.372 38.967 38.487 0.180 0.000 0.970 86 N HN 0.210 nan 8.380 nan 0.000 0.467 87 E N 0.808 121.086 120.200 0.130 0.000 2.250 87 E HA 0.238 4.588 4.350 -0.000 0.000 0.269 87 E C -0.569 175.885 176.600 -0.242 0.000 1.018 87 E CA -0.399 55.923 56.400 -0.131 0.000 0.873 87 E CB 1.130 30.610 29.700 -0.366 0.000 1.134 87 E HN 0.004 nan 8.360 nan 0.000 0.403 88 D N 0.400 120.565 120.400 -0.393 0.000 2.229 88 D HA 0.384 5.024 4.640 -0.000 0.000 0.249 88 D C -0.628 175.222 176.300 -0.750 0.000 1.027 88 D CA -0.081 53.705 54.000 -0.356 0.000 0.923 88 D CB 0.639 41.294 40.800 -0.242 0.000 1.174 88 D HN 0.203 nan 8.370 nan 0.000 0.443 89 W N 0.458 121.663 121.300 -0.158 0.000 2.839 89 W HA 0.351 5.011 4.660 -0.000 0.000 0.334 89 W C 0.042 176.566 176.519 0.008 0.000 1.064 89 W CA -0.737 56.577 57.345 -0.052 0.000 1.236 89 W CB 1.443 30.970 29.460 0.112 0.000 1.405 89 W HN 0.051 nan 8.180 nan 0.000 0.478 90 E N 1.777 122.063 120.200 0.142 0.000 2.212 90 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 90 E C -1.532 175.305 176.600 0.395 0.000 0.902 90 E CA -1.134 55.432 56.400 0.277 0.000 0.779 90 E CB 2.367 32.172 29.700 0.176 0.000 1.172 90 E HN 0.368 nan 8.360 nan 0.000 0.409 91 Y N 0.762 121.468 120.300 0.677 0.000 2.499 91 Y HA 0.470 5.020 4.550 -0.000 0.000 0.347 91 Y C -0.095 176.177 175.900 0.621 0.000 0.987 91 Y CA -0.940 57.622 58.100 0.770 0.000 1.044 91 Y CB 2.073 40.980 38.460 0.745 0.000 1.245 91 Y HN 0.462 nan 8.280 nan 0.000 0.461 92 R N 0.321 121.175 120.500 0.591 0.000 2.680 92 R HA 0.855 5.195 4.340 -0.000 0.000 0.269 92 R C -1.830 174.377 176.300 -0.155 0.000 1.026 92 R CA -0.805 55.229 56.100 -0.110 0.000 0.889 92 R CB 2.334 32.004 30.300 -1.050 0.000 1.241 92 R HN 0.625 nan 8.270 nan 0.000 0.463 93 T N 0.132 114.411 114.554 -0.458 0.000 2.821 93 T HA 0.552 4.902 4.350 -0.000 0.000 0.306 93 T C -1.421 173.138 174.700 -0.235 0.000 1.313 93 T CA -0.375 61.413 62.100 -0.521 0.000 1.012 93 T CB 1.725 69.823 68.868 -1.283 0.000 1.298 93 T HN 0.842 nan 8.240 nan 0.000 0.502 94 S N 1.648 117.264 115.700 -0.139 0.000 2.599 94 S HA 0.958 5.428 4.470 -0.000 0.000 0.294 94 S C -1.126 173.459 174.600 -0.026 0.000 1.094 94 S CA -0.776 57.347 58.200 -0.129 0.000 0.931 94 S CB 1.478 64.629 63.200 -0.082 0.000 1.093 94 S HN 0.956 nan 8.310 nan 0.000 0.488 95 F N -0.698 119.158 119.950 -0.157 0.000 2.678 95 F HA 0.721 5.248 4.527 -0.000 0.000 0.308 95 F C -1.638 174.112 175.800 -0.082 0.000 1.118 95 F CA -1.524 56.418 58.000 -0.096 0.000 0.959 95 F CB 0.753 39.714 39.000 -0.065 0.000 1.305 95 F HN 0.413 nan 8.300 nan 0.000 0.443 96 I N 3.219 123.864 120.570 0.125 0.000 2.385 96 I HA 0.538 4.708 4.170 -0.000 0.000 0.294 96 I C -0.356 175.848 176.117 0.146 0.000 0.988 96 I CA -1.007 60.314 61.300 0.035 0.000 1.265 96 I CB 1.400 39.410 38.000 0.015 0.000 1.388 96 I HN 0.534 nan 8.210 nan 0.000 0.480 97 V N 5.119 125.080 119.914 0.078 0.000 2.540 97 V HA 0.391 4.511 4.120 -0.000 0.000 0.302 97 V C 0.340 176.439 176.094 0.009 0.000 1.035 97 V CA -0.629 61.734 62.300 0.105 0.000 0.873 97 V CB 2.013 33.963 31.823 0.212 0.000 0.992 97 V HN 0.934 nan 8.190 nan 0.000 0.428 98 S N 2.036 117.707 115.700 -0.048 0.000 2.652 98 S HA 0.216 4.686 4.470 -0.000 0.000 0.270 98 S C 1.221 175.795 174.600 -0.044 0.000 1.243 98 S CA 0.384 58.549 58.200 -0.057 0.000 0.999 98 S CB 1.701 64.847 63.200 -0.091 0.000 0.973 98 S HN 0.793 nan 8.310 nan 0.000 0.544 99 E N 1.042 121.222 120.200 -0.034 0.000 2.097 99 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 99 E C 1.519 178.098 176.600 -0.034 0.000 1.000 99 E CA 2.080 58.465 56.400 -0.024 0.000 0.804 99 E CB -1.155 28.532 29.700 -0.020 0.000 0.740 99 E HN 0.845 nan 8.360 nan 0.000 0.454 100 E N 0.336 120.503 120.200 -0.055 0.000 2.058 100 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 100 E C 2.491 179.037 176.600 -0.089 0.000 0.997 100 E CA 1.992 58.352 56.400 -0.067 0.000 0.801 100 E CB -0.304 29.348 29.700 -0.080 0.000 0.746 100 E HN 0.559 nan 8.360 nan 0.000 0.450 101 Q N -0.032 119.671 119.800 -0.162 0.000 2.084 101 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 101 Q C 2.231 178.243 176.000 0.020 0.000 0.978 101 Q CA 0.870 56.516 55.803 -0.261 0.000 0.844 101 Q CB -0.133 28.208 28.738 -0.661 0.000 0.898 101 Q HN 0.287 nan 8.270 nan 0.000 0.426 102 L N 1.010 122.256 121.223 0.039 0.000 2.349 102 L HA -0.173 4.167 4.340 -0.000 0.000 0.220 102 L C 1.272 178.167 176.870 0.042 0.000 1.130 102 L CA 0.554 55.440 54.840 0.076 0.000 0.791 102 L CB -0.183 41.906 42.059 0.050 0.000 0.918 102 L HN 0.297 nan 8.230 nan 0.000 0.444 103 N N -0.618 118.091 118.700 0.014 0.000 2.336 103 N HA 0.011 4.751 4.740 -0.000 0.000 0.189 103 N C 0.345 175.852 175.510 -0.004 0.000 1.113 103 N CA 0.170 53.221 53.050 0.001 0.000 0.858 103 N CB 0.187 38.669 38.487 -0.009 0.000 0.970 103 N HN 0.120 nan 8.380 nan 0.000 0.471 104 R N 1.312 121.820 120.500 0.013 0.000 2.694 104 R HA 0.015 4.355 4.340 -0.000 0.000 0.268 104 R C 0.819 177.067 176.300 -0.087 0.000 1.061 104 R CA -0.050 56.041 56.100 -0.014 0.000 1.133 104 R CB 0.306 30.638 30.300 0.053 0.000 1.020 104 R HN 0.085 nan 8.270 nan 0.000 0.475 105 D N 0.357 120.661 120.400 -0.159 0.000 2.123 105 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 105 D C 0.892 176.998 176.300 -0.323 0.000 0.992 105 D CA 1.539 55.418 54.000 -0.202 0.000 0.833 105 D CB 0.138 40.828 40.800 -0.182 0.000 0.954 105 D HN 0.640 nan 8.370 nan 0.000 0.455 106 G N -0.681 107.727 108.800 -0.654 0.000 2.659 106 G HA2 0.637 4.597 3.960 -0.000 0.000 0.296 106 G HA3 0.637 4.597 3.960 -0.000 0.000 0.296 106 G C -1.250 173.336 174.900 -0.523 0.000 1.369 106 G CA -0.588 44.077 45.100 -0.724 0.000 0.937 106 G HN 0.021 nan 8.290 nan 0.000 0.485 107 I N 0.536 121.009 120.570 -0.162 0.000 2.548 107 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 107 I C -0.685 175.400 176.117 -0.052 0.000 1.103 107 I CA -0.566 60.651 61.300 -0.139 0.000 1.049 107 I CB 2.495 40.381 38.000 -0.191 0.000 1.232 107 I HN 0.327 nan 8.210 nan 0.000 0.429 108 Q N 4.746 124.510 119.800 -0.060 0.000 2.337 108 Q HA 0.617 4.957 4.340 -0.000 0.000 0.266 108 Q C -1.342 174.572 176.000 -0.144 0.000 1.023 108 Q CA -0.970 54.811 55.803 -0.036 0.000 0.829 108 Q CB 3.411 32.153 28.738 0.006 0.000 1.306 108 Q HN 0.426 nan 8.270 nan 0.000 0.449 109 L N 3.542 124.703 121.223 -0.103 0.000 2.282 109 L HA 0.559 4.899 4.340 -0.000 0.000 0.288 109 L C -1.512 175.256 176.870 -0.170 0.000 1.033 109 L CA -0.095 54.636 54.840 -0.182 0.000 0.807 109 L CB 0.970 42.966 42.059 -0.106 0.000 1.209 109 L HN 0.570 nan 8.230 nan 0.000 0.423 110 I N 5.475 125.873 120.570 -0.285 0.000 2.436 110 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 110 I C -1.151 174.795 176.117 -0.284 0.000 1.010 110 I CA -0.168 61.037 61.300 -0.158 0.000 1.098 110 I CB 1.433 39.374 38.000 -0.098 0.000 1.266 110 I HN 0.416 nan 8.210 nan 0.000 0.434 111 F N 4.774 124.770 119.950 0.077 0.000 2.375 111 F HA 0.335 4.863 4.527 0.000 0.000 0.361 111 F C 1.336 177.158 175.800 0.037 0.000 1.117 111 F CA -0.430 57.619 58.000 0.083 0.000 1.037 111 F CB 1.309 40.400 39.000 0.152 0.000 1.192 111 F HN 0.504 nan 8.300 nan 0.000 0.452 112 E N 2.101 122.360 120.200 0.099 0.000 2.347 112 E HA 0.155 4.505 4.350 -0.000 0.000 0.196 112 E C 0.737 177.273 176.600 -0.105 0.000 1.008 112 E CA 0.253 56.648 56.400 -0.009 0.000 0.852 112 E CB 0.314 29.975 29.700 -0.065 0.000 0.783 112 E HN 0.727 nan 8.360 nan 0.000 0.505 113 G N 0.535 109.302 108.800 -0.054 0.000 2.657 113 G HA2 0.439 4.398 3.960 -0.000 0.000 0.303 113 G HA3 0.439 4.398 3.960 -0.000 0.000 0.303 113 G C -1.582 173.470 174.900 0.253 0.000 1.457 113 G CA -0.813 44.248 45.100 -0.065 0.000 0.982 113 G HN -0.036 nan 8.290 nan 0.000 0.583 114 L N 2.111 123.610 121.223 0.461 0.000 2.376 114 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 114 L C -1.227 175.876 176.870 0.389 0.000 0.987 114 L CA -0.890 54.206 54.840 0.426 0.000 0.828 114 L CB 2.474 44.614 42.059 0.135 0.000 1.249 114 L HN 0.509 nan 8.230 nan 0.000 0.409 115 D N 1.608 122.207 120.400 0.332 0.000 2.454 115 D HA 0.372 5.012 4.640 -0.000 0.000 0.225 115 D C 0.086 176.474 176.300 0.147 0.000 1.081 115 D CA -0.070 53.923 54.000 -0.012 0.000 0.864 115 D CB 1.499 42.111 40.800 -0.313 0.000 1.040 115 D HN 0.491 nan 8.370 nan 0.000 0.517 116 T N 2.242 116.914 114.554 0.196 0.000 3.313 116 T HA 0.070 4.419 4.350 -0.000 0.000 0.266 116 T C -0.167 174.454 174.700 -0.133 0.000 0.987 116 T CA 0.117 62.167 62.100 -0.083 0.000 1.086 116 T CB -0.026 68.627 68.868 -0.359 0.000 1.159 116 T HN 0.225 nan 8.240 nan 0.000 0.450 117 Y N 2.663 123.096 120.300 0.222 0.000 2.650 117 Y HA 0.682 5.232 4.550 0.000 0.000 0.343 117 Y C 0.187 176.219 175.900 0.220 0.000 1.078 117 Y CA -1.200 57.018 58.100 0.197 0.000 1.356 117 Y CB 0.135 38.731 38.460 0.228 0.000 1.204 117 Y HN 0.198 nan 8.280 nan 0.000 0.508 118 A N 2.770 125.637 122.820 0.079 0.000 2.335 118 A HA 0.568 4.888 4.320 -0.000 0.000 0.304 118 A C -1.094 176.363 177.584 -0.211 0.000 1.118 118 A CA -0.931 50.938 52.037 -0.280 0.000 0.757 118 A CB 0.627 19.209 19.000 -0.696 0.000 1.188 118 A HN 0.483 nan 8.150 nan 0.000 0.460 119 D N 2.004 122.347 120.400 -0.095 0.000 2.274 119 D HA 0.413 5.053 4.640 -0.000 0.000 0.239 119 D C -0.509 175.601 176.300 -0.317 0.000 1.104 119 D CA 0.078 53.968 54.000 -0.183 0.000 0.840 119 D CB 1.879 42.674 40.800 -0.008 0.000 1.100 119 D HN 0.151 nan 8.370 nan 0.000 0.477 120 V N 3.693 123.329 119.914 -0.463 0.000 2.347 120 V HA 0.259 4.379 4.120 -0.000 0.000 0.280 120 V C -0.801 175.090 176.094 -0.338 0.000 1.021 120 V CA -0.659 61.474 62.300 -0.279 0.000 0.847 120 V CB 0.266 31.920 31.823 -0.281 0.000 0.990 120 V HN 0.362 nan 8.190 nan 0.000 0.444 121 Y N 5.177 125.583 120.300 0.176 0.000 2.364 121 Y HA 0.724 5.274 4.550 -0.000 0.000 0.340 121 Y C -0.296 175.739 175.900 0.225 0.000 0.975 121 Y CA -0.933 57.270 58.100 0.171 0.000 1.089 121 Y CB 1.931 40.484 38.460 0.155 0.000 1.192 121 Y HN 0.511 nan 8.280 nan 0.000 0.454 122 L N 4.683 126.094 121.223 0.314 0.000 2.404 122 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 122 L C -0.580 176.410 176.870 0.201 0.000 0.980 122 L CA -0.656 54.348 54.840 0.272 0.000 0.836 122 L CB 1.018 43.227 42.059 0.250 0.000 1.238 122 L HN 0.730 nan 8.230 nan 0.000 0.408 123 N N 4.295 123.102 118.700 0.179 0.000 2.725 123 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 123 N C 0.987 176.556 175.510 0.099 0.000 1.031 123 N CA 1.403 54.523 53.050 0.118 0.000 0.720 123 N CB -1.225 37.305 38.487 0.072 0.000 0.930 123 N HN 1.294 nan 8.380 nan 0.000 0.543 124 G N -1.835 107.027 108.800 0.103 0.000 2.184 124 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 124 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 124 G C 0.039 175.018 174.900 0.131 0.000 0.975 124 G CA 0.734 45.881 45.100 0.078 0.000 0.642 124 G HN 0.954 nan 8.290 nan 0.000 0.536 125 S N -0.319 115.481 115.700 0.166 0.000 2.451 125 S HA 0.655 5.125 4.470 -0.000 0.000 0.301 125 S C 0.021 174.732 174.600 0.185 0.000 1.116 125 S CA -0.611 57.679 58.200 0.151 0.000 1.093 125 S CB 1.155 64.417 63.200 0.104 0.000 1.017 125 S HN 1.238 nan 8.310 nan 0.000 0.482 126 L N 7.119 128.421 121.223 0.133 0.000 2.325 126 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 126 L C 0.444 177.260 176.870 -0.090 0.000 1.089 126 L CA 0.382 55.164 54.840 -0.096 0.000 0.836 126 L CB -0.048 41.965 42.059 -0.077 0.000 1.184 126 L HN 0.853 nan 8.230 nan 0.000 0.444 127 L N 4.818 125.971 121.223 -0.116 0.000 2.249 127 L HA 0.205 4.544 4.340 -0.000 0.000 0.207 127 L C -0.058 176.757 176.870 -0.092 0.000 1.090 127 L CA 0.270 55.083 54.840 -0.045 0.000 0.802 127 L CB -0.020 42.056 42.059 0.029 0.000 0.947 127 L HN 0.575 nan 8.230 nan 0.000 0.453 128 L N -0.481 120.627 121.223 -0.191 0.000 2.592 128 L HA 0.317 4.657 4.340 -0.000 0.000 0.258 128 L C -1.481 175.218 176.870 -0.284 0.000 0.926 128 L CA -0.411 54.287 54.840 -0.237 0.000 0.885 128 L CB 1.770 43.629 42.059 -0.335 0.000 1.380 128 L HN -0.111 nan 8.230 nan 0.000 0.415 129 K N 4.408 124.680 120.400 -0.214 0.000 2.419 129 K HA 0.749 5.069 4.320 -0.000 0.000 0.244 129 K C -0.382 176.115 176.600 -0.170 0.000 1.045 129 K CA -0.443 55.750 56.287 -0.157 0.000 1.004 129 K CB 1.421 33.881 32.500 -0.067 0.000 1.376 129 K HN 0.703 nan 8.250 nan 0.000 0.460 130 A N 2.424 125.071 122.820 -0.288 0.000 2.407 130 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 130 A C 0.277 177.825 177.584 -0.060 0.000 1.082 130 A CA -0.108 51.726 52.037 -0.339 0.000 0.785 130 A CB 0.198 18.883 19.000 -0.525 0.000 1.020 130 A HN 0.828 nan 8.150 nan 0.000 0.489 131 D N -0.064 120.352 120.400 0.026 0.000 2.704 131 D HA 0.088 4.728 4.640 -0.000 0.000 0.291 131 D C -0.743 175.493 176.300 -0.107 0.000 1.610 131 D CA -0.274 53.695 54.000 -0.052 0.000 0.807 131 D CB -0.373 40.503 40.800 0.127 0.000 1.233 131 D HN 0.283 nan 8.370 nan 0.000 0.445 132 N N 0.958 119.643 118.700 -0.026 0.000 2.616 132 N HA 0.131 4.871 4.740 -0.000 0.000 0.281 132 N C 0.253 175.712 175.510 -0.086 0.000 1.145 132 N CA -0.306 52.702 53.050 -0.070 0.000 0.919 132 N CB 1.698 40.189 38.487 0.007 0.000 1.509 132 N HN 0.026 nan 8.380 nan 0.000 0.537 133 M N 2.548 121.946 119.600 -0.336 0.000 2.267 133 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 133 M C -0.043 176.255 176.300 -0.003 0.000 1.063 133 M CA 1.774 56.877 55.300 -0.328 0.000 1.090 133 M CB 0.013 32.083 32.600 -0.883 0.000 1.392 133 M HN 0.419 nan 8.290 nan 0.000 0.422 134 F N -0.632 119.454 119.950 0.226 0.000 2.765 134 F HA 0.243 4.770 4.527 -0.000 0.000 0.302 134 F C 0.233 176.056 175.800 0.038 0.000 1.111 134 F CA -0.309 57.871 58.000 0.300 0.000 1.359 134 F CB -0.462 38.767 39.000 0.381 0.000 1.097 134 F HN -0.226 nan 8.300 nan 0.000 0.577 135 V N 0.009 119.862 119.914 -0.102 0.000 2.483 135 V HA 0.680 4.799 4.120 -0.000 0.000 0.295 135 V C 0.601 176.066 176.094 -1.048 0.000 1.035 135 V CA -1.080 60.786 62.300 -0.724 0.000 0.896 135 V CB 1.266 32.661 31.823 -0.712 0.000 0.986 135 V HN 0.189 nan 8.190 nan 0.000 0.447 136 G N 3.116 110.830 108.800 -1.810 0.000 2.356 136 G HA2 0.546 4.506 3.960 -0.000 0.000 0.298 136 G HA3 0.546 4.506 3.960 -0.000 0.000 0.298 136 G C -1.403 173.077 174.900 -0.699 0.000 1.145 136 G CA -0.130 44.425 45.100 -0.909 0.000 0.850 136 G HN 0.528 nan 8.290 nan 0.000 0.487 137 Y N 0.104 120.360 120.300 -0.074 0.000 2.393 137 Y HA 0.506 5.056 4.550 -0.000 0.000 0.341 137 Y C 0.557 176.503 175.900 0.075 0.000 0.988 137 Y CA -0.655 57.452 58.100 0.011 0.000 1.078 137 Y CB 2.773 41.275 38.460 0.069 0.000 1.203 137 Y HN 0.395 nan 8.280 nan 0.000 0.453 138 T N 5.257 119.927 114.554 0.194 0.000 2.815 138 T HA 0.583 4.933 4.350 -0.000 0.000 0.289 138 T C -0.763 174.011 174.700 0.123 0.000 1.000 138 T CA -0.622 61.550 62.100 0.120 0.000 0.958 138 T CB 0.191 69.096 68.868 0.061 0.000 0.944 138 T HN 0.367 nan 8.240 nan 0.000 0.442 139 L N 5.926 127.217 121.223 0.113 0.000 2.325 139 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 139 L C -2.229 174.684 176.870 0.072 0.000 1.004 139 L CA -2.509 52.395 54.840 0.107 0.000 0.823 139 L CB 1.971 44.116 42.059 0.144 0.000 1.236 139 L HN 0.325 nan 8.230 nan 0.000 0.415 140 P HA 0.038 nan 4.420 nan 0.000 0.271 140 P C 0.257 177.589 177.300 0.054 0.000 1.226 140 P CA -0.041 63.098 63.100 0.064 0.000 0.765 140 P CB 1.520 33.260 31.700 0.066 0.000 0.835 141 V N 0.720 120.657 119.914 0.038 0.000 3.382 141 V HA 0.162 4.282 4.120 -0.000 0.000 0.296 141 V C 2.023 178.145 176.094 0.047 0.000 1.529 141 V CA 0.103 62.433 62.300 0.050 0.000 1.048 141 V CB -0.456 31.405 31.823 0.064 0.000 0.878 141 V HN 0.333 nan 8.190 nan 0.000 0.442 142 K N 2.727 123.143 120.400 0.026 0.000 2.059 142 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 142 K C 2.170 178.796 176.600 0.044 0.000 1.050 142 K CA 2.631 58.937 56.287 0.031 0.000 0.927 142 K CB -0.259 32.243 32.500 0.002 0.000 0.714 142 K HN 0.756 nan 8.250 nan 0.000 0.447 143 S N -0.166 115.556 115.700 0.037 0.000 2.522 143 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 143 S C 1.763 176.389 174.600 0.044 0.000 0.986 143 S CA 0.744 58.965 58.200 0.036 0.000 0.929 143 S CB 0.040 63.258 63.200 0.029 0.000 0.769 143 S HN 0.309 nan 8.310 nan 0.000 0.529 144 V N -1.684 118.263 119.914 0.056 0.000 3.565 144 V HA 0.462 4.582 4.120 -0.000 0.000 0.260 144 V C 0.725 176.859 176.094 0.066 0.000 1.231 144 V CA -0.357 61.980 62.300 0.063 0.000 1.100 144 V CB -0.751 31.119 31.823 0.078 0.000 0.807 144 V HN 0.381 nan 8.190 nan 0.000 0.454 145 L N 1.618 122.888 121.223 0.078 0.000 2.452 145 L HA 0.436 4.776 4.340 -0.000 0.000 0.267 145 L C 0.540 177.437 176.870 0.045 0.000 1.188 145 L CA 0.111 55.001 54.840 0.083 0.000 0.821 145 L CB 0.577 42.724 42.059 0.148 0.000 1.102 145 L HN 0.274 nan 8.230 nan 0.000 0.470 146 R N 1.155 121.661 120.500 0.009 0.000 2.807 146 R HA 0.370 4.710 4.340 -0.000 0.000 0.276 146 R C -0.895 175.397 176.300 -0.013 0.000 0.979 146 R CA -1.105 54.990 56.100 -0.008 0.000 0.928 146 R CB 2.034 32.312 30.300 -0.035 0.000 1.191 146 R HN 0.396 nan 8.270 nan 0.000 0.471 147 K N 0.974 121.369 120.400 -0.008 0.000 2.401 147 K HA 0.243 4.563 4.320 -0.000 0.000 0.278 147 K C 0.457 177.034 176.600 -0.038 0.000 1.018 147 K CA 1.221 57.500 56.287 -0.013 0.000 0.981 147 K CB 0.462 32.956 32.500 -0.010 0.000 0.933 147 K HN 0.737 nan 8.250 nan 0.000 0.477 148 G N 1.145 109.917 108.800 -0.045 0.000 2.496 148 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.243 148 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.243 148 G C -0.372 174.446 174.900 -0.136 0.000 1.176 148 G CA -0.050 45.008 45.100 -0.069 0.000 0.940 148 G HN 0.900 nan 8.290 nan 0.000 0.573 149 E N 0.881 120.973 120.200 -0.179 0.000 2.360 149 E HA 0.534 4.884 4.350 -0.000 0.000 0.269 149 E C 0.237 176.510 176.600 -0.545 0.000 1.022 149 E CA 0.248 56.440 56.400 -0.347 0.000 0.887 149 E CB 0.235 29.770 29.700 -0.276 0.000 0.990 149 E HN 0.709 nan 8.360 nan 0.000 0.426 150 N N 1.425 119.611 118.700 -0.856 0.000 2.238 150 N HA 0.363 5.103 4.740 -0.000 0.000 0.302 150 N C -1.361 173.524 175.510 -1.042 0.000 1.072 150 N CA -0.637 51.847 53.050 -0.944 0.000 0.792 150 N CB 1.568 39.318 38.487 -1.228 0.000 1.425 150 N HN 0.605 nan 8.380 nan 0.000 0.478 151 H N 1.475 120.396 119.070 -0.248 0.000 2.547 151 H HA 0.333 4.889 4.556 0.000 0.000 0.342 151 H C -0.803 174.598 175.328 0.123 0.000 1.048 151 H CA -0.561 55.455 56.048 -0.054 0.000 1.204 151 H CB 2.436 32.236 29.762 0.064 0.000 1.493 151 H HN 0.329 nan 8.280 nan 0.000 0.511 152 L N 4.413 125.793 121.223 0.261 0.000 2.325 152 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 152 L C -1.595 175.492 176.870 0.361 0.000 1.004 152 L CA -0.466 54.584 54.840 0.351 0.000 0.823 152 L CB 0.596 42.856 42.059 0.335 0.000 1.236 152 L HN 0.457 nan 8.230 nan 0.000 0.415 153 Y N 5.068 125.575 120.300 0.345 0.000 2.429 153 Y HA 0.684 5.234 4.550 -0.000 0.000 0.342 153 Y C -0.253 175.944 175.900 0.494 0.000 1.004 153 Y CA -0.719 57.630 58.100 0.414 0.000 1.075 153 Y CB 2.072 40.738 38.460 0.342 0.000 1.214 153 Y HN 0.402 nan 8.280 nan 0.000 0.455 154 I N 3.422 124.373 120.570 0.636 0.000 2.499 154 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 154 I C -1.528 174.831 176.117 0.404 0.000 1.048 154 I CA -0.970 60.568 61.300 0.396 0.000 1.062 154 I CB 2.049 40.178 38.000 0.215 0.000 1.238 154 I HN 0.546 nan 8.210 nan 0.000 0.426 155 Y N 6.354 126.735 120.300 0.135 0.000 2.369 155 Y HA 0.482 5.032 4.550 -0.000 0.000 0.337 155 Y C -1.046 174.772 175.900 -0.135 0.000 0.961 155 Y CA -0.573 57.593 58.100 0.110 0.000 1.186 155 Y CB 0.789 39.316 38.460 0.113 0.000 1.139 155 Y HN 0.345 nan 8.280 nan 0.000 0.494 156 F N 5.490 125.467 119.950 0.044 0.000 2.375 156 F HA 0.235 4.762 4.527 -0.000 0.000 0.362 156 F C 0.464 176.309 175.800 0.074 0.000 1.129 156 F CA -0.552 57.535 58.000 0.143 0.000 1.154 156 F CB 0.153 39.282 39.000 0.215 0.000 1.205 156 F HN 0.437 nan 8.300 nan 0.000 0.513 157 H N 1.365 120.726 119.070 0.484 0.000 2.886 157 H HA -0.033 4.523 4.556 -0.000 0.000 0.329 157 H C 0.624 176.168 175.328 0.360 0.000 1.044 157 H CA -0.166 56.130 56.048 0.414 0.000 1.456 157 H CB 1.143 31.102 29.762 0.328 0.000 1.464 157 H HN 0.516 nan 8.280 nan 0.000 0.573 158 S N 4.996 120.918 115.700 0.369 0.000 2.673 158 S HA -0.043 4.427 4.470 -0.000 0.000 0.308 158 S C -1.094 173.680 174.600 0.290 0.000 1.246 158 S CA -1.126 57.251 58.200 0.296 0.000 1.077 158 S CB 0.456 63.779 63.200 0.205 0.000 0.814 158 S HN 0.553 nan 8.310 nan 0.000 0.503 159 P HA -0.041 nan 4.420 nan 0.000 0.233 159 P C 1.344 178.796 177.300 0.254 0.000 1.167 159 P CA 0.422 63.759 63.100 0.395 0.000 0.770 159 P CB 0.030 31.986 31.700 0.427 0.000 0.837 160 I N 0.834 121.512 120.570 0.179 0.000 2.188 160 I HA -0.089 4.081 4.170 -0.000 0.000 0.237 160 I C 2.679 178.831 176.117 0.058 0.000 1.073 160 I CA 1.182 62.544 61.300 0.104 0.000 1.359 160 I CB -1.559 36.487 38.000 0.077 0.000 1.083 160 I HN -0.027 nan 8.210 nan 0.000 0.412 161 R N 0.520 121.065 120.500 0.075 0.000 2.117 161 R HA -0.245 4.095 4.340 -0.000 0.000 0.243 161 R C 2.208 178.502 176.300 -0.010 0.000 1.143 161 R CA 1.424 57.553 56.100 0.048 0.000 0.968 161 R CB -0.441 29.910 30.300 0.084 0.000 0.863 161 R HN 0.351 nan 8.270 nan 0.000 0.444 162 Q N 0.318 120.088 119.800 -0.050 0.000 2.226 162 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 162 Q C 1.448 177.305 176.000 -0.238 0.000 0.975 162 Q CA 1.909 57.570 55.803 -0.237 0.000 0.866 162 Q CB 0.196 28.591 28.738 -0.572 0.000 0.915 162 Q HN 0.465 nan 8.270 nan 0.000 0.440 163 T N -3.624 110.855 114.554 -0.125 0.000 3.044 163 T HA 0.234 4.584 4.350 -0.000 0.000 0.260 163 T C 1.471 176.104 174.700 -0.111 0.000 1.019 163 T CA -0.232 61.795 62.100 -0.123 0.000 0.921 163 T CB -0.014 68.870 68.868 0.026 0.000 1.053 163 T HN 0.146 nan 8.240 nan 0.000 0.533 164 L N 1.029 122.220 121.223 -0.053 0.000 2.046 164 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 164 L C -0.475 176.395 176.870 -0.000 0.000 1.077 164 L CA 1.379 56.222 54.840 0.005 0.000 0.747 164 L CB -1.349 40.721 42.059 0.019 0.000 0.896 164 L HN 0.215 nan 8.230 nan 0.000 0.432 165 P HA -0.181 nan 4.420 nan 0.000 0.217 165 P C 1.485 178.695 177.300 -0.151 0.000 1.151 165 P CA 1.151 64.202 63.100 -0.083 0.000 0.828 165 P CB 0.041 31.688 31.700 -0.088 0.000 0.788 166 Q N -1.351 118.306 119.800 -0.238 0.000 2.050 166 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 166 Q C 2.188 177.868 176.000 -0.533 0.000 0.980 166 Q CA 1.368 56.922 55.803 -0.414 0.000 0.840 166 Q CB -0.655 27.745 28.738 -0.563 0.000 0.898 166 Q HN 0.135 nan 8.270 nan 0.000 0.424 167 Y N 0.464 120.406 120.300 -0.596 0.000 2.097 167 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 167 Y C 2.055 177.857 175.900 -0.164 0.000 1.152 167 Y CA 1.849 59.752 58.100 -0.329 0.000 1.136 167 Y CB -0.732 37.663 38.460 -0.107 0.000 0.975 167 Y HN 0.213 nan 8.280 nan 0.000 0.498 168 A N -0.157 122.540 122.820 -0.205 0.000 1.917 168 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 168 A C 2.446 179.888 177.584 -0.237 0.000 1.182 168 A CA 2.560 54.463 52.037 -0.222 0.000 0.633 168 A CB -1.457 17.507 19.000 -0.060 0.000 0.819 168 A HN 0.647 nan 8.150 nan 0.000 0.448 169 S N -0.467 115.109 115.700 -0.207 0.000 2.515 169 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 169 S C 1.557 176.052 174.600 -0.175 0.000 0.987 169 S CA 1.220 59.324 58.200 -0.161 0.000 0.936 169 S CB -0.530 62.591 63.200 -0.132 0.000 0.766 169 S HN 0.579 nan 8.310 nan 0.000 0.528 170 N N 1.404 119.945 118.700 -0.266 0.000 2.300 170 N HA 0.131 4.871 4.740 -0.000 0.000 0.179 170 N C 1.479 176.825 175.510 -0.273 0.000 1.016 170 N CA 1.305 54.185 53.050 -0.282 0.000 0.876 170 N CB -0.451 37.840 38.487 -0.326 0.000 0.979 170 N HN 0.595 nan 8.380 nan 0.000 0.432 171 G N -1.227 107.426 108.800 -0.245 0.000 2.205 171 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 171 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 171 G C 0.111 175.048 174.900 0.062 0.000 0.980 171 G CA 0.990 46.046 45.100 -0.074 0.000 0.632 171 G HN 0.555 nan 8.290 nan 0.000 0.533 172 F N -1.486 118.414 119.950 -0.084 0.000 2.662 172 F HA 0.787 5.314 4.527 -0.000 0.000 0.312 172 F C -0.963 174.867 175.800 0.051 0.000 1.113 172 F CA -1.985 56.017 58.000 0.003 0.000 0.951 172 F CB 0.979 40.015 39.000 0.059 0.000 1.344 172 F HN -0.003 nan 8.300 nan 0.000 0.462 173 N N 1.161 120.109 118.700 0.412 0.000 2.444 173 N HA 0.294 5.034 4.740 -0.000 0.000 0.262 173 N C -1.459 174.365 175.510 0.523 0.000 0.974 173 N CA -0.534 52.782 53.050 0.443 0.000 0.933 173 N CB 0.397 39.098 38.487 0.356 0.000 1.137 173 N HN 0.634 nan 8.380 nan 0.000 0.498 174 Y N 3.160 123.655 120.300 0.325 0.000 2.702 174 Y HA 0.078 4.628 4.550 0.000 0.000 0.336 174 Y C -1.155 174.888 175.900 0.238 0.000 1.235 174 Y CA -0.857 57.356 58.100 0.189 0.000 1.492 174 Y CB 0.595 38.979 38.460 -0.126 0.000 1.308 174 Y HN 0.502 nan 8.280 nan 0.000 0.589 175 P HA 0.127 nan 4.420 nan 0.000 0.220 175 P C -0.837 176.404 177.300 -0.098 0.000 1.778 175 P CA 0.032 63.130 63.100 -0.002 0.000 0.912 175 P CB -0.381 30.974 31.700 -0.575 0.000 1.861 176 A N 1.308 124.001 122.820 -0.211 0.000 2.922 176 A HA 0.171 4.491 4.320 -0.000 0.000 0.298 176 A C 1.101 178.261 177.584 -0.707 0.000 1.588 176 A CA -0.342 51.453 52.037 -0.403 0.000 1.288 176 A CB -0.390 18.377 19.000 -0.389 0.000 1.130 176 A HN 0.081 nan 8.150 nan 0.000 0.557 177 D N 0.873 121.056 120.400 -0.361 0.000 2.309 177 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 177 D C 0.936 177.070 176.300 -0.278 0.000 0.968 177 D CA 0.875 54.716 54.000 -0.265 0.000 0.882 177 D CB 0.153 40.891 40.800 -0.104 0.000 0.918 177 D HN 0.523 nan 8.370 nan 0.000 0.503 178 N N 1.007 119.405 118.700 -0.503 0.000 2.467 178 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 178 N C 0.172 175.348 175.510 -0.556 0.000 1.106 178 N CA 0.303 52.919 53.050 -0.723 0.000 0.892 178 N CB 0.254 37.684 38.487 -1.761 0.000 0.969 178 N HN 0.141 nan 8.380 nan 0.000 0.454 179 D N 0.760 120.953 120.400 -0.344 0.000 2.393 179 D HA 0.008 4.648 4.640 -0.000 0.000 0.232 179 D C -0.375 176.017 176.300 0.153 0.000 1.192 179 D CA -0.160 53.773 54.000 -0.111 0.000 0.882 179 D CB -0.165 40.539 40.800 -0.159 0.000 1.038 179 D HN 0.244 nan 8.370 nan 0.000 0.499 180 H N 4.294 123.424 119.070 0.101 0.000 2.799 180 H HA 0.126 4.682 4.556 0.000 0.000 0.225 180 H C -0.089 175.342 175.328 0.172 0.000 1.904 180 H CA -0.228 55.873 56.048 0.088 0.000 1.344 180 H CB 0.055 29.824 29.762 0.012 0.000 1.744 180 H HN 0.325 nan 8.280 nan 0.000 0.542 181 H N 0.019 119.223 119.070 0.223 0.000 3.079 181 H HA -0.043 4.513 4.556 -0.000 0.000 0.356 181 H C 0.773 176.136 175.328 0.059 0.000 1.221 181 H CA -0.045 56.079 56.048 0.127 0.000 1.185 181 H CB 1.714 31.551 29.762 0.125 0.000 1.882 181 H HN 0.363 nan 8.280 nan 0.000 0.543 182 E N 3.131 123.328 120.200 -0.005 0.000 2.130 182 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 182 E C -0.276 176.269 176.600 -0.092 0.000 0.998 182 E CA 1.322 57.709 56.400 -0.022 0.000 0.806 182 E CB 0.035 29.698 29.700 -0.062 0.000 0.738 182 E HN 0.535 nan 8.360 nan 0.000 0.459 183 K N 0.166 120.638 120.400 0.120 0.000 2.213 183 K HA 0.320 4.640 4.320 -0.000 0.000 0.270 183 K C -0.827 175.613 176.600 -0.266 0.000 1.002 183 K CA -0.367 55.691 56.287 -0.383 0.000 0.868 183 K CB 0.979 33.062 32.500 -0.694 0.000 1.093 183 K HN 0.457 nan 8.250 nan 0.000 0.454 184 H N 3.757 122.766 119.070 -0.101 0.000 2.820 184 H HA 0.091 4.647 4.556 -0.000 0.000 0.248 184 H C 0.774 176.033 175.328 -0.115 0.000 1.714 184 H CA -0.371 55.633 56.048 -0.074 0.000 1.334 184 H CB 0.068 29.824 29.762 -0.011 0.000 1.693 184 H HN 0.377 nan 8.280 nan 0.000 0.548 185 L N 0.841 122.038 121.223 -0.045 0.000 2.418 185 L HA -0.098 4.242 4.340 -0.000 0.000 0.218 185 L C 2.374 179.168 176.870 -0.127 0.000 1.125 185 L CA 0.440 55.322 54.840 0.071 0.000 0.835 185 L CB -0.207 41.880 42.059 0.046 0.000 0.953 185 L HN 0.562 nan 8.230 nan 0.000 0.454 186 S N 0.587 115.917 115.700 -0.617 0.000 2.387 186 S HA -0.201 4.269 4.470 -0.000 0.000 0.230 186 S C 1.954 176.343 174.600 -0.352 0.000 1.035 186 S CA 1.469 59.076 58.200 -0.989 0.000 1.014 186 S CB -1.209 61.295 63.200 -1.160 0.000 0.836 186 S HN 0.378 nan 8.310 nan 0.000 0.466 187 V N -1.961 117.682 119.914 -0.451 0.000 2.759 187 V HA 0.079 4.199 4.120 -0.000 0.000 0.256 187 V C 1.954 177.796 176.094 -0.419 0.000 1.080 187 V CA 1.117 63.099 62.300 -0.529 0.000 1.101 187 V CB -1.466 29.681 31.823 -1.127 0.000 0.698 187 V HN 0.369 nan 8.190 nan 0.000 0.477 188 F N 1.223 121.131 119.950 -0.071 0.000 2.615 188 F HA 0.283 4.810 4.527 -0.000 0.000 0.297 188 F C 1.439 177.433 175.800 0.324 0.000 1.124 188 F CA 0.344 58.373 58.000 0.048 0.000 1.451 188 F CB -0.325 38.700 39.000 0.042 0.000 1.103 188 F HN 0.091 nan 8.300 nan 0.000 0.569 189 S N 0.776 116.748 115.700 0.454 0.000 2.454 189 S HA 0.414 4.884 4.470 -0.000 0.000 0.306 189 S C 0.090 174.889 174.600 0.333 0.000 1.100 189 S CA -0.855 57.605 58.200 0.434 0.000 1.087 189 S CB 1.199 64.661 63.200 0.437 0.000 1.019 189 S HN -0.060 nan 8.310 nan 0.000 0.480 190 R N 3.207 123.831 120.500 0.207 0.000 2.893 190 R HA 0.286 4.626 4.340 -0.000 0.000 0.243 190 R C -0.058 176.126 176.300 -0.192 0.000 1.481 190 R CA 0.030 56.214 56.100 0.139 0.000 1.250 190 R CB -0.969 29.399 30.300 0.113 0.000 1.213 190 R HN 0.568 nan 8.270 nan 0.000 0.609 191 K N -0.218 120.131 120.400 -0.085 0.000 2.546 191 K HA 0.436 4.756 4.320 -0.000 0.000 0.264 191 K C -1.105 175.555 176.600 0.099 0.000 0.937 191 K CA -0.685 55.444 56.287 -0.265 0.000 0.833 191 K CB 2.015 34.501 32.500 -0.024 0.000 1.378 191 K HN 0.351 nan 8.250 nan 0.000 0.432 192 A N 4.784 127.629 122.820 0.041 0.000 2.550 192 A HA 0.114 4.434 4.320 -0.000 0.000 0.263 192 A C -1.952 175.833 177.584 0.334 0.000 1.065 192 A CA -0.643 51.584 52.037 0.318 0.000 0.786 192 A CB -0.364 18.800 19.000 0.273 0.000 0.985 192 A HN 0.614 nan 8.150 nan 0.000 0.518 193 P HA -0.235 nan 4.420 nan 0.000 0.216 193 P C 1.293 178.869 177.300 0.461 0.000 1.153 193 P CA 2.023 65.350 63.100 0.377 0.000 0.858 193 P CB -0.176 31.674 31.700 0.249 0.000 0.789 194 Y N -0.373 120.020 120.300 0.156 0.000 2.483 194 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 194 Y C 2.038 178.009 175.900 0.117 0.000 1.143 194 Y CA 1.033 59.243 58.100 0.183 0.000 1.289 194 Y CB -1.497 37.072 38.460 0.181 0.000 0.983 194 Y HN -0.026 nan 8.280 nan 0.000 0.556 195 S N -0.608 114.713 115.700 -0.633 0.000 2.447 195 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 195 S C 1.198 175.498 174.600 -0.500 0.000 1.006 195 S CA 0.848 58.567 58.200 -0.801 0.000 0.957 195 S CB -1.193 61.582 63.200 -0.708 0.000 0.773 195 S HN 0.669 nan 8.310 nan 0.000 0.507 196 Y N 2.625 122.807 120.300 -0.198 0.000 2.529 196 Y HA 0.413 4.963 4.550 -0.000 0.000 0.290 196 Y C 1.553 177.324 175.900 -0.215 0.000 1.177 196 Y CA 0.214 58.236 58.100 -0.130 0.000 1.305 196 Y CB -0.299 38.138 38.460 -0.040 0.000 1.047 196 Y HN 0.592 nan 8.280 nan 0.000 0.522 197 G N -1.023 107.674 108.800 -0.171 0.000 2.515 197 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 197 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 197 G C -1.405 173.279 174.900 -0.361 0.000 1.274 197 G CA -0.821 44.013 45.100 -0.443 0.000 0.874 197 G HN 0.153 nan 8.290 nan 0.000 0.631 198 W N -0.192 120.691 121.300 -0.695 0.000 2.895 198 W HA 0.342 5.002 4.660 0.000 0.000 0.377 198 W C -0.079 176.193 176.519 -0.412 0.000 1.191 198 W CA 0.362 57.315 57.345 -0.654 0.000 1.179 198 W CB 1.224 30.024 29.460 -1.099 0.000 1.469 198 W HN 0.818 nan 8.180 nan 0.000 0.577 199 D N -0.487 119.682 120.400 -0.386 0.000 2.352 199 D HA -0.067 4.573 4.640 -0.000 0.000 0.232 199 D C 0.898 177.375 176.300 0.294 0.000 1.055 199 D CA 0.624 54.627 54.000 0.005 0.000 0.891 199 D CB -0.549 40.276 40.800 0.042 0.000 0.897 199 D HN 0.413 nan 8.370 nan 0.000 0.529 200 W N -1.266 120.373 121.300 0.565 0.000 2.284 200 W HA 0.597 5.257 4.660 -0.000 0.000 0.334 200 W C -0.189 176.654 176.519 0.540 0.000 0.917 200 W CA -0.899 56.731 57.345 0.475 0.000 1.621 200 W CB 0.123 29.869 29.460 0.477 0.000 1.129 200 W HN -0.007 nan 8.180 nan 0.000 0.528 201 G N 1.845 110.884 108.800 0.398 0.000 2.571 201 G HA2 0.556 4.516 3.960 -0.000 0.000 0.304 201 G HA3 0.556 4.516 3.960 -0.000 0.000 0.304 201 G C -1.474 173.296 174.900 -0.216 0.000 1.314 201 G CA -0.874 44.361 45.100 0.225 0.000 0.975 201 G HN 0.114 nan 8.290 nan 0.000 0.485 202 I N 0.631 120.618 120.570 -0.972 0.000 2.532 202 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 202 I C 0.582 176.374 176.117 -0.542 0.000 1.014 202 I CA -1.010 59.663 61.300 -1.045 0.000 1.340 202 I CB 0.931 37.800 38.000 -1.885 0.000 1.422 202 I HN 0.413 nan 8.210 nan 0.000 0.528 203 R N 7.979 128.274 120.500 -0.343 0.000 2.210 203 R HA 0.365 4.705 4.340 -0.000 0.000 0.338 203 R C -0.992 175.116 176.300 -0.321 0.000 1.062 203 R CA -0.258 55.684 56.100 -0.265 0.000 0.902 203 R CB 0.496 30.741 30.300 -0.091 0.000 1.050 203 R HN 0.736 nan 8.270 nan 0.000 0.461 204 M N 5.867 125.210 119.600 -0.428 0.000 1.962 204 M HA 0.182 4.662 4.480 -0.000 0.000 0.227 204 M C -1.479 174.476 176.300 -0.575 0.000 0.890 204 M CA -0.541 54.431 55.300 -0.548 0.000 0.843 204 M CB 1.464 33.684 32.600 -0.633 0.000 1.894 204 M HN 0.277 nan 8.290 nan 0.000 0.359 205 V N 2.785 122.438 119.914 -0.434 0.000 2.287 205 V HA 0.154 4.274 4.120 -0.000 0.000 0.246 205 V C 0.660 176.607 176.094 -0.245 0.000 1.165 205 V CA 0.287 62.316 62.300 -0.451 0.000 1.088 205 V CB 0.178 31.731 31.823 -0.450 0.000 1.242 205 V HN 0.766 nan 8.190 nan 0.000 0.497 206 T N 3.364 117.733 114.554 -0.309 0.000 2.884 206 T HA 0.663 5.013 4.350 -0.000 0.000 0.277 206 T C 0.074 174.652 174.700 -0.203 0.000 0.976 206 T CA -0.193 61.810 62.100 -0.162 0.000 0.956 206 T CB 1.424 70.162 68.868 -0.217 0.000 1.113 206 T HN 0.631 nan 8.240 nan 0.000 0.554 207 S N -1.183 114.362 115.700 -0.258 0.000 2.625 207 S HA 0.871 5.341 4.470 -0.000 0.000 0.271 207 S C -0.279 173.933 174.600 -0.646 0.000 1.161 207 S CA -0.127 57.855 58.200 -0.363 0.000 0.820 207 S CB 1.639 64.706 63.200 -0.222 0.000 1.137 207 S HN 1.368 nan 8.310 nan 0.000 0.470 208 G N -0.366 107.756 108.800 -1.130 0.000 2.347 208 G HA2 0.156 4.116 3.960 -0.000 0.000 0.341 208 G HA3 0.156 4.116 3.960 -0.000 0.000 0.341 208 G C -1.660 172.873 174.900 -0.612 0.000 1.287 208 G CA -0.641 43.613 45.100 -1.409 0.000 0.984 208 G HN 0.954 nan 8.290 nan 0.000 0.526 209 V N 2.355 121.996 119.914 -0.455 0.000 2.326 209 V HA 0.228 4.348 4.120 -0.000 0.000 0.249 209 V C 1.424 177.487 176.094 -0.051 0.000 1.114 209 V CA 0.487 62.735 62.300 -0.086 0.000 1.028 209 V CB -0.239 31.425 31.823 -0.265 0.000 1.170 209 V HN 0.815 nan 8.190 nan 0.000 0.494 210 W N 5.158 126.393 121.300 -0.108 0.000 3.197 210 W HA 0.325 4.985 4.660 0.000 0.000 0.274 210 W C 0.340 176.858 176.519 -0.002 0.000 1.297 210 W CA -0.580 56.717 57.345 -0.080 0.000 1.662 210 W CB 0.172 29.594 29.460 -0.063 0.000 1.106 210 W HN 0.343 nan 8.180 nan 0.000 0.663 211 R N 0.173 120.395 120.500 -0.464 0.000 2.888 211 R HA 0.436 4.776 4.340 -0.000 0.000 0.264 211 R C -2.562 173.629 176.300 -0.182 0.000 1.045 211 R CA -2.057 53.795 56.100 -0.413 0.000 0.962 211 R CB 1.334 31.235 30.300 -0.666 0.000 1.210 211 R HN -0.395 nan 8.270 nan 0.000 0.479 212 P HA 0.063 nan 4.420 nan 0.000 0.270 212 P C -1.004 176.263 177.300 -0.055 0.000 1.223 212 P CA -0.207 62.854 63.100 -0.066 0.000 0.785 212 P CB 0.585 32.255 31.700 -0.050 0.000 0.923 213 V N 1.626 121.510 119.914 -0.049 0.000 2.495 213 V HA 0.651 4.771 4.120 -0.000 0.000 0.298 213 V C 0.240 176.249 176.094 -0.141 0.000 1.031 213 V CA -0.348 61.858 62.300 -0.158 0.000 0.871 213 V CB 1.580 33.350 31.823 -0.089 0.000 0.988 213 V HN 0.759 nan 8.190 nan 0.000 0.432 214 T N 2.360 116.782 114.554 -0.221 0.000 2.883 214 T HA 0.784 5.134 4.350 -0.000 0.000 0.301 214 T C -1.115 173.437 174.700 -0.247 0.000 1.158 214 T CA -0.736 61.258 62.100 -0.175 0.000 1.007 214 T CB 1.764 70.571 68.868 -0.102 0.000 1.186 214 T HN 0.363 nan 8.240 nan 0.000 0.499 215 L N 1.415 122.493 121.223 -0.242 0.000 2.322 215 L HA 0.679 5.019 4.340 -0.000 0.000 0.281 215 L C 0.047 176.722 176.870 -0.325 0.000 1.014 215 L CA -0.942 53.682 54.840 -0.360 0.000 0.815 215 L CB 1.934 43.716 42.059 -0.462 0.000 1.247 215 L HN 0.707 nan 8.230 nan 0.000 0.421 216 R N 3.038 123.322 120.500 -0.360 0.000 2.393 216 R HA 0.533 4.873 4.340 -0.000 0.000 0.315 216 R C -1.690 174.489 176.300 -0.202 0.000 0.952 216 R CA -0.424 55.583 56.100 -0.155 0.000 0.842 216 R CB 0.985 31.255 30.300 -0.051 0.000 1.163 216 R HN 0.316 nan 8.270 nan 0.000 0.450 217 F N 5.867 125.898 119.950 0.136 0.000 2.427 217 F HA 0.426 4.953 4.527 -0.000 0.000 0.346 217 F C -0.347 175.558 175.800 0.175 0.000 1.120 217 F CA -0.526 57.539 58.000 0.108 0.000 1.033 217 F CB 1.145 40.168 39.000 0.037 0.000 1.126 217 F HN 0.482 nan 8.300 nan 0.000 0.462 218 Y N -0.618 119.765 120.300 0.138 0.000 2.670 218 Y HA 0.671 5.221 4.550 -0.001 0.000 0.334 218 Y C -1.772 174.164 175.900 0.060 0.000 1.185 218 Y CA -1.549 56.598 58.100 0.079 0.000 1.053 218 Y CB 1.286 39.767 38.460 0.035 0.000 1.298 218 Y HN 0.343 nan 8.280 nan 0.000 0.459 219 D N 2.421 122.908 120.400 0.145 0.000 2.252 219 D HA 0.439 5.079 4.640 -0.000 0.000 0.245 219 D C 0.697 177.098 176.300 0.168 0.000 1.009 219 D CA -0.073 53.954 54.000 0.045 0.000 0.870 219 D CB 2.051 42.877 40.800 0.043 0.000 1.251 219 D HN 0.766 nan 8.370 nan 0.000 0.460 220 I N -0.626 119.996 120.570 0.085 0.000 4.624 220 I HA -0.371 3.799 4.170 -0.000 0.000 0.049 220 I C 0.504 176.746 176.117 0.209 0.000 0.621 220 I CA 1.662 63.029 61.300 0.112 0.000 0.836 220 I CB -1.925 36.123 38.000 0.080 0.000 0.765 220 I HN 0.650 nan 8.210 nan 0.000 0.159 221 A N 0.110 123.112 122.820 0.304 0.000 2.601 221 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 221 A C -0.178 177.387 177.584 -0.031 0.000 1.075 221 A CA 0.378 52.529 52.037 0.191 0.000 0.671 221 A CB 1.474 20.514 19.000 0.066 0.000 1.277 221 A HN 0.680 nan 8.150 nan 0.000 0.417 222 T N -1.218 113.194 114.554 -0.237 0.000 2.924 222 T HA 0.726 5.076 4.350 -0.000 0.000 0.291 222 T C -0.430 174.168 174.700 -0.170 0.000 1.045 222 T CA -0.485 61.410 62.100 -0.341 0.000 1.015 222 T CB 1.054 69.593 68.868 -0.548 0.000 1.103 222 T HN 0.541 nan 8.240 nan 0.000 0.496 223 I N 2.859 123.346 120.570 -0.138 0.000 2.308 223 I HA 0.150 4.320 4.170 -0.000 0.000 0.293 223 I C 1.203 177.280 176.117 -0.067 0.000 1.078 223 I CA -0.330 60.920 61.300 -0.083 0.000 1.292 223 I CB 1.006 38.961 38.000 -0.075 0.000 1.423 223 I HN 0.783 nan 8.210 nan 0.000 0.493 224 S N 3.408 119.077 115.700 -0.053 0.000 2.406 224 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 224 S C 0.302 174.905 174.600 0.005 0.000 1.020 224 S CA 0.741 58.921 58.200 -0.034 0.000 0.965 224 S CB -0.163 63.017 63.200 -0.032 0.000 0.798 224 S HN 0.770 nan 8.310 nan 0.000 0.488 225 D N -1.413 119.014 120.400 0.045 0.000 2.803 225 D HA 0.416 5.056 4.640 -0.000 0.000 0.218 225 D C -1.997 174.442 176.300 0.232 0.000 1.245 225 D CA -0.573 53.491 54.000 0.106 0.000 0.821 225 D CB 1.192 42.038 40.800 0.076 0.000 1.626 225 D HN -0.024 nan 8.370 nan 0.000 0.487 226 Y N 3.587 123.973 120.300 0.143 0.000 2.331 226 Y HA 0.530 5.081 4.550 0.000 0.000 0.326 226 Y C -2.312 173.761 175.900 0.289 0.000 1.020 226 Y CA -1.191 57.030 58.100 0.202 0.000 1.136 226 Y CB 0.804 39.359 38.460 0.158 0.000 1.157 226 Y HN 0.400 nan 8.280 nan 0.000 0.444 227 Y N 6.198 126.501 120.300 0.005 0.000 2.331 227 Y HA 0.657 5.207 4.550 -0.000 0.000 0.334 227 Y C -1.656 174.055 175.900 -0.316 0.000 0.960 227 Y CA -1.808 56.151 58.100 -0.235 0.000 1.130 227 Y CB 1.472 39.884 38.460 -0.081 0.000 1.164 227 Y HN 0.344 nan 8.280 nan 0.000 0.458 228 V N 8.112 127.655 119.914 -0.618 0.000 2.320 228 V HA 0.384 4.504 4.120 -0.000 0.000 0.265 228 V C 0.162 175.775 176.094 -0.802 0.000 1.048 228 V CA -0.608 61.285 62.300 -0.680 0.000 0.865 228 V CB 0.447 31.777 31.823 -0.822 0.000 1.043 228 V HN 0.695 nan 8.190 nan 0.000 0.474 229 R N 4.291 124.295 120.500 -0.826 0.000 2.202 229 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 229 R C 0.020 176.096 176.300 -0.374 0.000 1.036 229 R CA -0.415 55.232 56.100 -0.754 0.000 0.878 229 R CB 0.779 30.642 30.300 -0.728 0.000 1.067 229 R HN 0.783 nan 8.270 nan 0.000 0.457 230 Q N 4.889 124.519 119.800 -0.282 0.000 2.295 230 Q HA 0.087 4.427 4.340 -0.000 0.000 0.259 230 Q C 0.311 176.240 176.000 -0.119 0.000 0.976 230 Q CA -0.163 55.534 55.803 -0.178 0.000 0.923 230 Q CB 1.069 29.719 28.738 -0.147 0.000 1.185 230 Q HN 0.778 nan 8.270 nan 0.000 0.410 231 L N 2.249 123.417 121.223 -0.092 0.000 2.202 231 L HA 0.124 4.464 4.340 -0.000 0.000 0.205 231 L C 0.535 177.380 176.870 -0.041 0.000 1.083 231 L CA 0.398 55.200 54.840 -0.063 0.000 0.790 231 L CB 0.103 42.131 42.059 -0.052 0.000 0.942 231 L HN 0.712 nan 8.230 nan 0.000 0.452 232 S N -0.838 114.840 115.700 -0.037 0.000 2.552 232 S HA 0.589 5.059 4.470 -0.000 0.000 0.272 232 S C -1.361 173.229 174.600 -0.016 0.000 1.150 232 S CA -0.828 57.360 58.200 -0.021 0.000 0.849 232 S CB 2.361 65.552 63.200 -0.014 0.000 1.113 232 S HN -0.016 nan 8.310 nan 0.000 0.458 233 L N 1.923 123.144 121.223 -0.002 0.000 2.516 233 L HA 0.823 5.163 4.340 -0.000 0.000 0.267 233 L C -0.400 176.482 176.870 0.020 0.000 0.957 233 L CA 0.422 55.267 54.840 0.009 0.000 0.860 233 L CB 1.804 43.873 42.059 0.016 0.000 1.265 233 L HN 1.256 nan 8.230 nan 0.000 0.403 234 T N -0.740 113.826 114.554 0.021 0.000 2.888 234 T HA 0.450 4.800 4.350 -0.000 0.000 0.288 234 T C 0.380 175.100 174.700 0.033 0.000 1.063 234 T CA -0.507 61.608 62.100 0.026 0.000 1.010 234 T CB 1.295 70.175 68.868 0.019 0.000 1.214 234 T HN 0.439 nan 8.240 nan 0.000 0.533 235 D N 0.280 120.700 120.400 0.033 0.000 2.221 235 D HA -0.030 4.610 4.640 -0.000 0.000 0.204 235 D C 1.604 177.925 176.300 0.035 0.000 0.982 235 D CA 1.268 55.290 54.000 0.037 0.000 0.857 235 D CB 0.016 40.833 40.800 0.029 0.000 0.934 235 D HN 0.661 nan 8.370 nan 0.000 0.475 236 E N -0.556 119.661 120.200 0.027 0.000 2.250 236 E HA 0.112 4.462 4.350 -0.000 0.000 0.192 236 E C 0.163 176.776 176.600 0.022 0.000 0.986 236 E CA 0.295 56.709 56.400 0.024 0.000 0.849 236 E CB 0.312 30.023 29.700 0.018 0.000 0.797 236 E HN 0.032 nan 8.360 nan 0.000 0.482 237 N N -0.938 117.774 118.700 0.019 0.000 2.555 237 N HA 0.492 5.232 4.740 -0.000 0.000 0.265 237 N C -2.024 173.490 175.510 0.006 0.000 1.135 237 N CA -0.313 52.744 53.050 0.012 0.000 0.925 237 N CB 1.591 40.083 38.487 0.007 0.000 1.662 237 N HN -0.033 nan 8.380 nan 0.000 0.489 238 A N 2.603 125.420 122.820 -0.005 0.000 2.303 238 A HA 0.737 5.057 4.320 -0.000 0.000 0.320 238 A C -0.572 177.003 177.584 -0.015 0.000 1.192 238 A CA -0.559 51.468 52.037 -0.017 0.000 0.821 238 A CB 0.560 19.536 19.000 -0.040 0.000 1.188 238 A HN 0.623 nan 8.150 nan 0.000 0.492 239 R N 2.303 122.793 120.500 -0.018 0.000 2.295 239 R HA 0.576 4.916 4.340 -0.000 0.000 0.324 239 R C -1.029 175.252 176.300 -0.031 0.000 0.968 239 R CA -0.578 55.512 56.100 -0.016 0.000 0.837 239 R CB 1.207 31.498 30.300 -0.016 0.000 1.133 239 R HN 0.485 nan 8.270 nan 0.000 0.450 240 L N 0.964 122.179 121.223 -0.012 0.000 2.333 240 L HA 0.504 4.844 4.340 -0.000 0.000 0.269 240 L C 0.143 176.997 176.870 -0.028 0.000 1.010 240 L CA -0.488 54.330 54.840 -0.037 0.000 0.818 240 L CB 1.781 43.860 42.059 0.033 0.000 1.306 240 L HN 0.523 nan 8.230 nan 0.000 0.430 241 S N 1.830 117.480 115.700 -0.084 0.000 2.596 241 S HA 0.456 4.926 4.470 -0.000 0.000 0.318 241 S C -0.612 173.955 174.600 -0.055 0.000 1.097 241 S CA -0.708 57.457 58.200 -0.057 0.000 1.080 241 S CB 0.276 63.426 63.200 -0.083 0.000 0.991 241 S HN 0.578 nan 8.310 nan 0.000 0.471 242 N N 4.714 123.454 118.700 0.067 0.000 2.415 242 N HA 0.150 4.890 4.740 -0.000 0.000 0.246 242 N C -0.811 174.812 175.510 0.188 0.000 1.078 242 N CA -0.030 53.145 53.050 0.207 0.000 0.942 242 N CB 0.916 39.595 38.487 0.319 0.000 1.140 242 N HN 0.693 nan 8.380 nan 0.000 0.501 243 E N 2.600 122.917 120.200 0.195 0.000 2.109 243 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 243 E C -0.471 176.314 176.600 0.308 0.000 0.954 243 E CA -0.436 56.091 56.400 0.211 0.000 0.779 243 E CB 1.627 31.450 29.700 0.205 0.000 1.093 243 E HN 0.303 nan 8.360 nan 0.000 0.401 244 L N 4.062 125.415 121.223 0.217 0.000 2.346 244 L HA 0.538 4.878 4.340 -0.000 0.000 0.276 244 L C -0.466 176.474 176.870 0.117 0.000 1.006 244 L CA -0.691 54.249 54.840 0.166 0.000 0.817 244 L CB 1.563 43.652 42.059 0.049 0.000 1.272 244 L HN 0.436 nan 8.230 nan 0.000 0.421 245 I N 3.291 123.911 120.570 0.082 0.000 2.362 245 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 245 I C -0.781 175.304 176.117 -0.054 0.000 0.994 245 I CA -0.679 60.605 61.300 -0.027 0.000 1.158 245 I CB 1.832 39.829 38.000 -0.005 0.000 1.315 245 I HN 0.181 nan 8.210 nan 0.000 0.451 246 V N 5.458 125.316 119.914 -0.094 0.000 2.409 246 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 246 V C -0.319 175.730 176.094 -0.076 0.000 1.020 246 V CA -0.717 61.539 62.300 -0.072 0.000 0.848 246 V CB 1.867 33.659 31.823 -0.053 0.000 0.990 246 V HN 0.672 nan 8.190 nan 0.000 0.430 247 N N 3.746 122.410 118.700 -0.060 0.000 2.485 247 N HA 0.277 5.017 4.740 -0.000 0.000 0.243 247 N C -0.473 175.047 175.510 0.017 0.000 0.987 247 N CA -0.294 52.737 53.050 -0.032 0.000 0.940 247 N CB 1.185 39.654 38.487 -0.029 0.000 1.122 247 N HN 0.788 nan 8.380 nan 0.000 0.509 248 Q N 3.718 123.535 119.800 0.029 0.000 2.256 248 Q HA 0.275 4.615 4.340 -0.000 0.000 0.254 248 Q C 0.115 176.164 176.000 0.082 0.000 0.916 248 Q CA -0.349 55.493 55.803 0.065 0.000 0.932 248 Q CB 1.051 29.812 28.738 0.038 0.000 1.207 248 Q HN 0.744 nan 8.270 nan 0.000 0.426 249 I N 4.392 125.036 120.570 0.124 0.000 3.645 249 I HA 0.043 4.213 4.170 -0.000 0.000 0.300 249 I C -0.073 176.067 176.117 0.037 0.000 1.260 249 I CA 0.165 61.521 61.300 0.093 0.000 1.365 249 I CB 1.029 39.097 38.000 0.112 0.000 1.077 249 I HN 0.544 nan 8.210 nan 0.000 0.439 250 V N -1.285 118.649 119.914 0.033 0.000 2.743 250 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 250 V C -1.626 174.478 176.094 0.017 0.000 1.057 250 V CA -1.287 61.022 62.300 0.015 0.000 1.006 250 V CB 0.537 32.365 31.823 0.009 0.000 1.024 250 V HN 0.002 nan 8.190 nan 0.000 0.473 251 P HA -0.013 nan 4.420 nan 0.000 0.227 251 P C 0.333 177.640 177.300 0.011 0.000 1.161 251 P CA 0.760 63.867 63.100 0.012 0.000 0.788 251 P CB 0.213 31.918 31.700 0.009 0.000 0.822 252 Q N 0.786 120.593 119.800 0.010 0.000 2.256 252 Q HA 0.237 4.576 4.340 -0.000 0.000 0.232 252 Q C -0.209 175.798 176.000 0.011 0.000 0.965 252 Q CA -0.469 55.340 55.803 0.009 0.000 0.908 252 Q CB 1.004 29.747 28.738 0.008 0.000 1.209 252 Q HN 0.035 nan 8.270 nan 0.000 0.489 253 K N 1.074 121.480 120.400 0.010 0.000 2.401 253 K HA 0.284 4.604 4.320 -0.000 0.000 0.278 253 K C -0.294 176.312 176.600 0.010 0.000 1.018 253 K CA -0.200 56.093 56.287 0.010 0.000 0.981 253 K CB 0.465 32.971 32.500 0.009 0.000 0.933 253 K HN 0.502 nan 8.250 nan 0.000 0.477 254 I N 5.603 126.179 120.570 0.011 0.000 2.439 254 I HA 0.212 4.382 4.170 -0.000 0.000 0.283 254 I C -2.270 173.852 176.117 0.009 0.000 1.023 254 I CA -2.918 58.388 61.300 0.011 0.000 1.100 254 I CB 1.417 39.426 38.000 0.015 0.000 1.238 254 I HN 0.304 nan 8.210 nan 0.000 0.445 255 P HA 0.361 nan 4.420 nan 0.000 0.271 255 P C -0.760 176.543 177.300 0.004 0.000 1.216 255 P CA -0.078 63.025 63.100 0.005 0.000 0.771 255 P CB 1.704 33.407 31.700 0.004 0.000 0.864 256 A N 2.150 124.972 122.820 0.002 0.000 2.594 256 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 256 A C -1.241 176.341 177.584 -0.004 0.000 1.105 256 A CA -0.621 51.416 52.037 -0.001 0.000 0.694 256 A CB 1.554 20.553 19.000 -0.001 0.000 1.291 256 A HN 0.516 nan 8.150 nan 0.000 0.410 257 E N 0.800 120.995 120.200 -0.008 0.000 2.191 257 E HA 0.556 4.906 4.350 -0.000 0.000 0.263 257 E C -1.451 175.137 176.600 -0.020 0.000 0.881 257 E CA -0.540 55.853 56.400 -0.011 0.000 0.757 257 E CB 1.641 31.335 29.700 -0.010 0.000 1.147 257 E HN 0.463 nan 8.360 nan 0.000 0.414 258 V N 4.909 124.809 119.914 -0.023 0.000 2.498 258 V HA 0.384 4.504 4.120 -0.000 0.000 0.279 258 V C 0.167 176.237 176.094 -0.039 0.000 1.048 258 V CA -0.214 62.063 62.300 -0.038 0.000 0.967 258 V CB 1.013 32.813 31.823 -0.038 0.000 0.988 258 V HN 0.658 nan 8.190 nan 0.000 0.473 259 R N 3.145 123.612 120.500 -0.054 0.000 2.534 259 R HA 0.747 5.087 4.340 -0.000 0.000 0.301 259 R C -1.574 174.688 176.300 -0.063 0.000 0.961 259 R CA -0.677 55.395 56.100 -0.047 0.000 0.871 259 R CB 2.395 32.671 30.300 -0.040 0.000 1.170 259 R HN 0.504 nan 8.270 nan 0.000 0.446 260 V N 3.124 123.012 119.914 -0.043 0.000 2.444 260 V HA 0.303 4.423 4.120 -0.000 0.000 0.294 260 V C -0.466 175.603 176.094 -0.042 0.000 1.022 260 V CA -0.879 61.402 62.300 -0.031 0.000 0.850 260 V CB 1.663 33.504 31.823 0.031 0.000 0.992 260 V HN 0.703 nan 8.190 nan 0.000 0.426 261 N N 3.979 122.649 118.700 -0.049 0.000 2.372 261 N HA 0.510 5.250 4.740 -0.000 0.000 0.291 261 N C -1.429 173.984 175.510 -0.162 0.000 1.024 261 N CA -0.233 52.769 53.050 -0.080 0.000 0.873 261 N CB 2.213 40.672 38.487 -0.048 0.000 1.206 261 N HN 0.384 nan 8.380 nan 0.000 0.486 262 V N 2.713 122.475 119.914 -0.253 0.000 2.384 262 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 262 V C -0.018 175.978 176.094 -0.163 0.000 1.020 262 V CA -0.581 61.448 62.300 -0.452 0.000 0.850 262 V CB 1.019 32.413 31.823 -0.715 0.000 0.987 262 V HN 0.808 nan 8.190 nan 0.000 0.436 263 S N 5.051 120.717 115.700 -0.057 0.000 2.632 263 S HA 0.899 5.369 4.470 -0.000 0.000 0.289 263 S C -1.207 173.427 174.600 0.056 0.000 1.115 263 S CA -0.876 57.335 58.200 0.018 0.000 0.889 263 S CB 2.352 65.551 63.200 -0.000 0.000 1.116 263 S HN 0.600 nan 8.310 nan 0.000 0.486 264 L N 1.566 122.773 121.223 -0.026 0.000 2.404 264 L HA 0.572 4.912 4.340 -0.000 0.000 0.272 264 L C -0.340 176.464 176.870 -0.109 0.000 0.980 264 L CA 0.186 54.916 54.840 -0.183 0.000 0.836 264 L CB 0.369 42.197 42.059 -0.384 0.000 1.238 264 L HN 0.986 nan 8.230 nan 0.000 0.408 265 N N 4.151 122.799 118.700 -0.086 0.000 2.740 265 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 265 N C 0.861 176.353 175.510 -0.029 0.000 1.062 265 N CA 0.858 53.878 53.050 -0.051 0.000 0.704 265 N CB -0.953 37.498 38.487 -0.060 0.000 0.968 265 N HN 1.295 nan 8.380 nan 0.000 0.547 266 G N -2.089 106.700 108.800 -0.018 0.000 2.176 266 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 266 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 266 G C 0.044 174.939 174.900 -0.009 0.000 0.979 266 G CA 0.550 45.645 45.100 -0.009 0.000 0.641 266 G HN 0.426 nan 8.290 nan 0.000 0.530 267 T N 1.545 116.091 114.554 -0.014 0.000 2.812 267 T HA 0.558 4.908 4.350 -0.000 0.000 0.282 267 T C 0.265 174.962 174.700 -0.005 0.000 0.990 267 T CA 0.037 62.131 62.100 -0.009 0.000 0.960 267 T CB 1.745 70.608 68.868 -0.008 0.000 0.948 267 T HN 0.204 nan 8.240 nan 0.000 0.438 268 T N 2.719 117.269 114.554 -0.006 0.000 2.902 268 T HA 0.138 4.488 4.350 -0.000 0.000 0.301 268 T C 1.745 176.444 174.700 -0.001 0.000 1.012 268 T CA -0.186 61.908 62.100 -0.011 0.000 1.151 268 T CB 0.467 69.324 68.868 -0.017 0.000 0.946 268 T HN 0.576 nan 8.240 nan 0.000 0.542 269 V N 0.839 120.755 119.914 0.004 0.000 2.922 269 V HA 0.391 4.511 4.120 -0.000 0.000 0.242 269 V C 0.881 176.968 176.094 -0.011 0.000 1.094 269 V CA 0.526 62.839 62.300 0.023 0.000 1.106 269 V CB 0.218 32.102 31.823 0.101 0.000 0.799 269 V HN 0.813 nan 8.190 nan 0.000 0.474 270 T N 0.056 114.579 114.554 -0.051 0.000 2.889 270 T HA 0.523 4.873 4.350 -0.000 0.000 0.315 270 T C -1.860 172.795 174.700 -0.075 0.000 1.291 270 T CA -0.399 61.666 62.100 -0.058 0.000 1.028 270 T CB 2.304 71.135 68.868 -0.061 0.000 1.235 270 T HN 0.571 nan 8.240 nan 0.000 0.491 271 E N 1.480 121.651 120.200 -0.050 0.000 2.292 271 E HA 0.615 4.965 4.350 -0.000 0.000 0.272 271 E C -1.140 175.442 176.600 -0.030 0.000 0.881 271 E CA -0.970 55.403 56.400 -0.045 0.000 0.754 271 E CB 2.444 32.124 29.700 -0.034 0.000 1.201 271 E HN 0.612 nan 8.360 nan 0.000 0.425 272 V N -0.332 119.566 119.914 -0.025 0.000 2.876 272 V HA 0.782 4.902 4.120 -0.000 0.000 0.312 272 V C -0.891 175.196 176.094 -0.013 0.000 1.085 272 V CA -0.930 61.362 62.300 -0.013 0.000 0.945 272 V CB 1.879 33.701 31.823 -0.001 0.000 1.017 272 V HN 0.759 nan 8.190 nan 0.000 0.428 273 K N 2.185 122.579 120.400 -0.009 0.000 2.512 273 K HA 0.787 5.107 4.320 -0.000 0.000 0.263 273 K C -1.453 175.143 176.600 -0.006 0.000 0.966 273 K CA -0.846 55.434 56.287 -0.011 0.000 0.851 273 K CB 2.835 35.327 32.500 -0.013 0.000 1.395 273 K HN 0.843 nan 8.250 nan 0.000 0.440 274 Q N 1.478 121.274 119.800 -0.007 0.000 2.295 274 Q HA 0.141 4.481 4.340 -0.000 0.000 0.268 274 Q C -1.317 174.681 176.000 -0.003 0.000 1.010 274 Q CA -0.743 55.058 55.803 -0.002 0.000 0.856 274 Q CB 2.159 30.898 28.738 0.002 0.000 1.349 274 Q HN 0.600 nan 8.270 nan 0.000 0.412 275 Q N 1.868 121.667 119.800 -0.001 0.000 2.288 275 Q HA 0.442 4.782 4.340 -0.000 0.000 0.254 275 Q C -0.041 175.960 176.000 0.002 0.000 0.932 275 Q CA -0.172 55.631 55.803 -0.000 0.000 0.902 275 Q CB 1.512 30.251 28.738 0.001 0.000 1.203 275 Q HN 0.519 nan 8.270 nan 0.000 0.415 276 V N -1.325 118.591 119.914 0.002 0.000 3.130 276 V HA 0.745 4.864 4.120 -0.000 0.000 0.310 276 V C -0.481 175.616 176.094 0.005 0.000 1.158 276 V CA -0.884 61.419 62.300 0.005 0.000 1.029 276 V CB 2.308 34.133 31.823 0.005 0.000 1.057 276 V HN 0.655 nan 8.190 nan 0.000 0.436 277 T N 3.881 118.439 114.554 0.008 0.000 2.772 277 T HA 0.626 4.976 4.350 -0.000 0.000 0.288 277 T C -0.280 174.425 174.700 0.009 0.000 0.994 277 T CA -0.225 61.880 62.100 0.008 0.000 0.951 277 T CB 0.761 69.634 68.868 0.009 0.000 0.933 277 T HN 0.641 nan 8.240 nan 0.000 0.447 278 L N 4.211 125.438 121.223 0.008 0.000 2.371 278 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 278 L C 0.830 177.705 176.870 0.010 0.000 1.124 278 L CA -0.649 54.195 54.840 0.007 0.000 0.816 278 L CB 0.717 42.780 42.059 0.007 0.000 1.129 278 L HN 0.642 nan 8.230 nan 0.000 0.448 279 Q N 2.834 122.639 119.800 0.009 0.000 2.297 279 Q HA 0.582 4.922 4.340 -0.000 0.000 0.268 279 Q C -2.698 173.309 176.000 0.012 0.000 1.045 279 Q CA -2.439 53.371 55.803 0.011 0.000 0.861 279 Q CB 1.406 30.152 28.738 0.013 0.000 1.344 279 Q HN 0.249 nan 8.270 nan 0.000 0.452 280 P HA 0.051 nan 4.420 nan 0.000 0.265 280 P C 0.409 177.718 177.300 0.015 0.000 1.187 280 P CA 1.806 64.917 63.100 0.018 0.000 0.766 280 P CB 0.401 32.112 31.700 0.018 0.000 0.820 281 G N 3.066 111.877 108.800 0.018 0.000 2.512 281 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 281 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 281 G C -0.637 174.254 174.900 -0.016 0.000 1.199 281 G CA -0.663 44.443 45.100 0.009 0.000 0.941 281 G HN 0.515 nan 8.290 nan 0.000 0.569 282 I N 2.753 123.303 120.570 -0.034 0.000 2.471 282 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 282 I C 0.368 176.401 176.117 -0.141 0.000 1.079 282 I CA -0.121 61.116 61.300 -0.105 0.000 1.398 282 I CB 0.240 38.177 38.000 -0.104 0.000 1.403 282 I HN 0.426 nan 8.210 nan 0.000 0.530 283 N N 5.793 124.372 118.700 -0.201 0.000 2.284 283 N HA 0.380 5.120 4.740 -0.000 0.000 0.300 283 N C -0.915 174.422 175.510 -0.289 0.000 1.047 283 N CA -0.674 52.281 53.050 -0.159 0.000 0.821 283 N CB 1.830 40.279 38.487 -0.063 0.000 1.337 283 N HN 0.511 nan 8.380 nan 0.000 0.482 284 H N 1.092 120.178 119.070 0.028 0.000 2.476 284 H HA 0.532 5.088 4.556 -0.000 0.000 0.328 284 H C -0.376 174.970 175.328 0.030 0.000 1.073 284 H CA -0.225 55.844 56.048 0.035 0.000 1.229 284 H CB 1.431 31.214 29.762 0.036 0.000 1.432 284 H HN 0.354 nan 8.280 nan 0.000 0.477 285 I N 2.413 123.063 120.570 0.133 0.000 2.582 285 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 285 I C -0.546 175.625 176.117 0.091 0.000 1.066 285 I CA -0.435 60.915 61.300 0.083 0.000 1.053 285 I CB 2.359 40.383 38.000 0.040 0.000 1.241 285 I HN 0.544 nan 8.210 nan 0.000 0.421 286 T N 6.526 121.121 114.554 0.069 0.000 2.879 286 T HA 0.700 5.050 4.350 -0.000 0.000 0.290 286 T C -0.840 173.887 174.700 0.045 0.000 0.993 286 T CA -0.496 61.641 62.100 0.063 0.000 0.975 286 T CB 1.430 70.328 68.868 0.049 0.000 0.981 286 T HN 0.120 nan 8.240 nan 0.000 0.439 287 L N 5.413 126.667 121.223 0.052 0.000 2.409 287 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 287 L C -2.314 174.584 176.870 0.047 0.000 0.980 287 L CA -1.886 52.979 54.840 0.042 0.000 0.826 287 L CB 1.894 43.976 42.059 0.040 0.000 1.268 287 L HN 0.355 nan 8.230 nan 0.000 0.407 288 P HA 0.522 nan 4.420 nan 0.000 0.277 288 P C -1.291 176.032 177.300 0.038 0.000 1.240 288 P CA -0.402 62.715 63.100 0.028 0.000 0.798 288 P CB 1.989 33.697 31.700 0.013 0.000 0.979 289 A N 1.858 124.707 122.820 0.049 0.000 2.515 289 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 289 A C -1.018 176.586 177.584 0.033 0.000 1.059 289 A CA -0.622 51.441 52.037 0.043 0.000 0.698 289 A CB 1.543 20.586 19.000 0.072 0.000 1.289 289 A HN 0.539 nan 8.150 nan 0.000 0.404 290 E N 0.355 120.560 120.200 0.008 0.000 2.266 290 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 290 E C -1.460 175.129 176.600 -0.019 0.000 0.879 290 E CA -0.942 55.457 56.400 -0.000 0.000 0.762 290 E CB 2.633 32.333 29.700 -0.001 0.000 1.199 290 E HN 0.305 nan 8.360 nan 0.000 0.422 291 V N 2.288 122.185 119.914 -0.028 0.000 2.378 291 V HA 0.220 4.340 4.120 -0.000 0.000 0.288 291 V C 0.166 176.256 176.094 -0.008 0.000 1.016 291 V CA -0.746 61.528 62.300 -0.044 0.000 0.840 291 V CB 1.374 33.112 31.823 -0.142 0.000 0.994 291 V HN 0.836 nan 8.190 nan 0.000 0.431 292 T N 1.419 115.981 114.554 0.014 0.000 2.897 292 T HA 0.298 4.648 4.350 -0.000 0.000 0.294 292 T C 0.418 175.146 174.700 0.046 0.000 1.004 292 T CA -0.314 61.801 62.100 0.025 0.000 1.106 292 T CB -0.014 68.867 68.868 0.022 0.000 0.949 292 T HN 0.780 nan 8.240 nan 0.000 0.520 293 N N 1.316 120.043 118.700 0.044 0.000 2.686 293 N HA -0.125 4.615 4.740 -0.000 0.000 0.261 293 N C -2.525 173.041 175.510 0.094 0.000 1.001 293 N CA 0.179 53.265 53.050 0.059 0.000 0.764 293 N CB -1.008 37.511 38.487 0.054 0.000 0.898 293 N HN 0.641 nan 8.380 nan 0.000 0.544 294 P HA 0.015 nan 4.420 nan 0.000 0.268 294 P C -0.144 177.279 177.300 0.206 0.000 1.205 294 P CA 0.049 63.237 63.100 0.147 0.000 0.771 294 P CB 0.861 32.598 31.700 0.062 0.000 0.858 295 V N 4.971 125.093 119.914 0.347 0.000 2.368 295 V HA 0.197 4.317 4.120 -0.000 0.000 0.266 295 V C 1.286 177.570 176.094 0.318 0.000 1.045 295 V CA -0.385 62.074 62.300 0.264 0.000 0.899 295 V CB -0.132 31.792 31.823 0.169 0.000 1.006 295 V HN 0.474 nan 8.190 nan 0.000 0.470 296 R N 2.905 123.541 120.500 0.227 0.000 2.594 296 R HA 0.122 4.462 4.340 -0.000 0.000 0.272 296 R C -0.428 176.049 176.300 0.294 0.000 1.074 296 R CA -0.414 55.839 56.100 0.256 0.000 1.105 296 R CB 0.959 31.377 30.300 0.198 0.000 1.008 296 R HN 0.769 nan 8.270 nan 0.000 0.472 297 W N 4.550 125.937 121.300 0.146 0.000 2.356 297 W HA 0.123 4.783 4.660 -0.000 0.000 0.311 297 W C -0.796 175.800 176.519 0.128 0.000 1.328 297 W CA -0.207 57.213 57.345 0.125 0.000 1.251 297 W CB 0.620 30.147 29.460 0.113 0.000 1.280 297 W HN 0.231 nan 8.180 nan 0.000 0.524 298 M N 9.282 128.734 119.600 -0.245 0.000 2.508 298 M HA 0.387 4.866 4.480 -0.000 0.000 0.327 298 M C -2.055 173.833 176.300 -0.688 0.000 1.160 298 M CA -2.685 52.502 55.300 -0.189 0.000 0.980 298 M CB 1.704 34.320 32.600 0.028 0.000 1.693 298 M HN 0.278 nan 8.290 nan 0.000 0.452 299 P HA 0.105 nan 4.420 nan 0.000 0.276 299 P C -0.618 176.474 177.300 -0.347 0.000 1.252 299 P CA -0.438 62.349 63.100 -0.522 0.000 0.802 299 P CB 0.314 31.825 31.700 -0.315 0.000 1.035 300 N N 0.377 118.899 118.700 -0.296 0.000 2.365 300 N HA 0.142 4.882 4.740 -0.000 0.000 0.265 300 N C 1.381 176.794 175.510 -0.162 0.000 1.288 300 N CA 2.108 55.049 53.050 -0.183 0.000 0.869 300 N CB -0.678 37.732 38.487 -0.129 0.000 1.071 300 N HN 0.754 nan 8.380 nan 0.000 0.480 301 G N 2.578 111.344 108.800 -0.057 0.000 2.238 301 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.217 301 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.217 301 G C 0.266 175.312 174.900 0.244 0.000 0.996 301 G CA 0.082 45.200 45.100 0.030 0.000 0.632 301 G HN 0.561 nan 8.290 nan 0.000 0.503 302 W N 1.665 122.925 121.300 -0.067 0.000 2.862 302 W HA 0.595 5.255 4.660 -0.000 0.000 0.376 302 W C 1.201 177.679 176.519 -0.068 0.000 1.028 302 W CA 0.240 57.553 57.345 -0.052 0.000 1.757 302 W CB 0.238 29.673 29.460 -0.042 0.000 1.128 302 W HN 1.180 nan 8.180 nan 0.000 0.566 303 G N -0.162 108.700 108.800 0.103 0.000 2.250 303 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.252 303 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.252 303 G C -0.765 174.102 174.900 -0.054 0.000 1.325 303 G CA -0.881 44.233 45.100 0.023 0.000 1.091 303 G HN -0.246 nan 8.290 nan 0.000 0.476 304 T N 3.651 118.168 114.554 -0.063 0.000 2.817 304 T HA 0.562 4.912 4.350 -0.000 0.000 0.293 304 T C -2.135 172.445 174.700 -0.199 0.000 0.964 304 T CA -0.532 61.512 62.100 -0.094 0.000 1.085 304 T CB 1.872 70.716 68.868 -0.042 0.000 0.921 304 T HN 0.446 nan 8.240 nan 0.000 0.502 305 P HA 0.127 nan 4.420 nan 0.000 0.230 305 P C -0.316 176.946 177.300 -0.063 0.000 1.791 305 P CA -0.426 62.331 63.100 -0.572 0.000 1.020 305 P CB -0.887 30.542 31.700 -0.451 0.000 1.977 306 T N 2.945 117.532 114.554 0.055 0.000 2.902 306 T HA 0.178 4.528 4.350 -0.000 0.000 0.301 306 T C 0.484 175.385 174.700 0.335 0.000 1.012 306 T CA 0.459 62.652 62.100 0.156 0.000 1.151 306 T CB 0.229 69.178 68.868 0.134 0.000 0.946 306 T HN 0.187 nan 8.240 nan 0.000 0.542 307 L N 3.531 124.880 121.223 0.210 0.000 2.376 307 L HA 0.468 4.808 4.340 -0.000 0.000 0.275 307 L C -0.562 176.405 176.870 0.162 0.000 0.987 307 L CA -1.084 53.911 54.840 0.259 0.000 0.828 307 L CB 1.213 43.405 42.059 0.223 0.000 1.249 307 L HN 0.644 nan 8.230 nan 0.000 0.409 308 Y N 0.972 121.400 120.300 0.213 0.000 2.300 308 Y HA 0.192 4.742 4.550 -0.001 0.000 0.328 308 Y C 0.335 176.395 175.900 0.267 0.000 1.270 308 Y CA -0.399 57.842 58.100 0.236 0.000 1.352 308 Y CB 0.935 39.610 38.460 0.359 0.000 1.286 308 Y HN 0.442 nan 8.280 nan 0.000 0.536 309 D N 2.218 122.827 120.400 0.348 0.000 2.392 309 D HA 0.196 4.836 4.640 -0.000 0.000 0.228 309 D C -1.314 175.167 176.300 0.302 0.000 1.074 309 D CA -0.106 54.065 54.000 0.285 0.000 0.838 309 D CB 0.839 41.724 40.800 0.143 0.000 1.067 309 D HN 0.213 nan 8.370 nan 0.000 0.511 310 F N 1.156 121.202 119.950 0.161 0.000 2.411 310 F HA 0.214 4.741 4.527 0.001 0.000 0.352 310 F C 0.791 176.736 175.800 0.241 0.000 1.123 310 F CA -0.591 57.528 58.000 0.198 0.000 1.044 310 F CB 1.812 40.932 39.000 0.201 0.000 1.135 310 F HN 0.022 nan 8.300 nan 0.000 0.461 311 S N 3.208 119.062 115.700 0.256 0.000 2.552 311 S HA 0.855 5.324 4.470 -0.000 0.000 0.314 311 S C -0.739 173.853 174.600 -0.014 0.000 1.099 311 S CA -0.494 57.782 58.200 0.127 0.000 1.070 311 S CB 0.724 63.951 63.200 0.045 0.000 0.998 311 S HN 0.757 nan 8.310 nan 0.000 0.474 312 A N 4.501 127.187 122.820 -0.224 0.000 2.317 312 A HA 0.744 5.064 4.320 -0.000 0.000 0.327 312 A C -0.427 177.015 177.584 -0.237 0.000 1.178 312 A CA -0.589 51.209 52.037 -0.399 0.000 0.817 312 A CB 0.883 19.292 19.000 -0.985 0.000 1.189 312 A HN 0.838 nan 8.150 nan 0.000 0.489 313 Q N 1.142 120.846 119.800 -0.161 0.000 2.394 313 Q HA 0.505 4.845 4.340 -0.000 0.000 0.273 313 Q C -1.298 174.650 176.000 -0.088 0.000 1.089 313 Q CA -0.806 54.935 55.803 -0.103 0.000 0.812 313 Q CB 2.457 31.156 28.738 -0.066 0.000 1.353 313 Q HN 0.624 nan 8.270 nan 0.000 0.438 314 I N 1.945 122.475 120.570 -0.066 0.000 2.354 314 I HA 0.464 4.634 4.170 -0.000 0.000 0.286 314 I C -0.370 175.733 176.117 -0.024 0.000 1.007 314 I CA -0.454 60.820 61.300 -0.043 0.000 1.167 314 I CB 0.765 38.743 38.000 -0.038 0.000 1.320 314 I HN 0.572 nan 8.210 nan 0.000 0.458 315 A N 6.230 129.039 122.820 -0.019 0.000 2.276 315 A HA 0.608 4.928 4.320 -0.000 0.000 0.316 315 A C -0.549 177.033 177.584 -0.003 0.000 1.229 315 A CA -0.314 51.717 52.037 -0.010 0.000 0.851 315 A CB 0.642 19.634 19.000 -0.012 0.000 1.165 315 A HN 0.751 nan 8.150 nan 0.000 0.513 316 C N 3.012 122.314 119.300 0.003 0.000 2.316 316 C HA 0.757 5.217 4.460 -0.000 0.000 0.324 316 C C 1.297 176.291 174.990 0.006 0.000 1.226 316 C CA 0.393 59.415 59.018 0.007 0.000 1.450 316 C CB -0.194 27.554 27.740 0.014 0.000 2.123 316 C HN 1.780 nan 8.230 nan 0.000 0.454 317 G N 4.736 113.538 108.800 0.004 0.000 2.583 317 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.292 317 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.292 317 G C 0.421 175.321 174.900 0.001 0.000 1.203 317 G CA 0.984 46.086 45.100 0.003 0.000 0.987 317 G HN 0.821 nan 8.290 nan 0.000 0.554 318 D N 0.702 121.103 120.400 0.002 0.000 2.363 318 D HA 0.168 4.807 4.640 -0.000 0.000 0.214 318 D C 1.053 177.354 176.300 0.002 0.000 1.093 318 D CA 0.017 54.017 54.000 0.001 0.000 0.837 318 D CB -0.079 40.721 40.800 0.000 0.000 0.948 318 D HN 0.652 nan 8.370 nan 0.000 0.507 319 R N 0.764 121.268 120.500 0.005 0.000 2.298 319 R HA 0.269 4.609 4.340 -0.000 0.000 0.310 319 R C -0.080 176.224 176.300 0.007 0.000 1.068 319 R CA -0.645 55.460 56.100 0.009 0.000 0.957 319 R CB 1.186 31.495 30.300 0.015 0.000 1.003 319 R HN 0.080 nan 8.270 nan 0.000 0.454 320 I N 5.546 126.119 120.570 0.005 0.000 2.311 320 I HA -0.043 4.127 4.170 -0.000 0.000 0.297 320 I C 1.658 177.782 176.117 0.011 0.000 1.131 320 I CA 0.164 61.464 61.300 0.000 0.000 1.289 320 I CB 0.404 38.400 38.000 -0.007 0.000 1.446 320 I HN 0.570 nan 8.210 nan 0.000 0.524 321 V N 3.372 123.297 119.914 0.018 0.000 2.871 321 V HA 0.388 4.508 4.120 -0.000 0.000 0.256 321 V C 0.855 176.970 176.094 0.036 0.000 1.082 321 V CA 0.770 63.097 62.300 0.045 0.000 1.105 321 V CB -0.299 31.561 31.823 0.063 0.000 0.713 321 V HN 0.683 nan 8.190 nan 0.000 0.473 322 A N -0.299 122.518 122.820 -0.004 0.000 2.547 322 A HA 0.771 5.091 4.320 -0.000 0.000 0.297 322 A C -0.998 176.551 177.584 -0.057 0.000 1.056 322 A CA -0.460 51.554 52.037 -0.039 0.000 0.688 322 A CB 1.982 20.943 19.000 -0.065 0.000 1.282 322 A HN 0.277 nan 8.150 nan 0.000 0.400 323 E N 0.872 121.033 120.200 -0.065 0.000 2.343 323 E HA 0.582 4.931 4.350 -0.000 0.000 0.278 323 E C -1.827 174.723 176.600 -0.083 0.000 0.910 323 E CA -0.301 56.053 56.400 -0.077 0.000 0.757 323 E CB 2.248 31.918 29.700 -0.050 0.000 1.218 323 E HN 0.698 nan 8.360 nan 0.000 0.435 324 Q N 1.261 120.997 119.800 -0.107 0.000 2.309 324 Q HA 0.534 4.874 4.340 -0.000 0.000 0.273 324 Q C -1.890 174.086 176.000 -0.040 0.000 1.040 324 Q CA -0.388 55.363 55.803 -0.087 0.000 0.834 324 Q CB 2.113 30.814 28.738 -0.062 0.000 1.345 324 Q HN 0.345 nan 8.270 nan 0.000 0.414 325 S N 2.431 118.076 115.700 -0.091 0.000 2.568 325 S HA 0.709 5.179 4.470 -0.000 0.000 0.293 325 S C -1.485 172.974 174.600 -0.236 0.000 1.089 325 S CA -0.668 57.526 58.200 -0.008 0.000 0.945 325 S CB 0.876 64.089 63.200 0.022 0.000 1.077 325 S HN 0.574 nan 8.310 nan 0.000 0.485 326 H N 1.142 120.305 119.070 0.156 0.000 2.851 326 H HA 0.400 4.956 4.556 0.000 0.000 0.372 326 H C -0.488 174.876 175.328 0.059 0.000 1.158 326 H CA -0.696 55.354 56.048 0.003 0.000 1.159 326 H CB 1.340 30.992 29.762 -0.183 0.000 1.757 326 H HN 0.407 nan 8.280 nan 0.000 0.546 327 R N 1.876 122.468 120.500 0.155 0.000 2.340 327 R HA 0.341 4.681 4.340 -0.000 0.000 0.300 327 R C -0.285 176.050 176.300 0.058 0.000 1.069 327 R CA -0.502 55.685 56.100 0.145 0.000 0.984 327 R CB 0.770 31.142 30.300 0.121 0.000 1.003 327 R HN 0.317 nan 8.270 nan 0.000 0.459 328 I N 1.765 122.403 120.570 0.113 0.000 2.436 328 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 328 I C 0.546 176.711 176.117 0.081 0.000 1.010 328 I CA -0.560 60.701 61.300 -0.065 0.000 1.098 328 I CB 1.724 39.486 38.000 -0.395 0.000 1.266 328 I HN 0.664 nan 8.210 nan 0.000 0.434 329 G N 6.639 115.392 108.800 -0.077 0.000 2.335 329 G HA2 0.611 4.571 3.960 -0.000 0.000 0.316 329 G HA3 0.611 4.571 3.960 -0.000 0.000 0.316 329 G C -0.582 174.320 174.900 0.003 0.000 1.129 329 G CA -0.501 44.610 45.100 0.020 0.000 0.899 329 G HN 0.484 nan 8.290 nan 0.000 0.448 330 L N 4.285 125.608 121.223 0.167 0.000 2.268 330 L HA 0.550 4.890 4.340 -0.000 0.000 0.289 330 L C 0.400 177.367 176.870 0.161 0.000 1.064 330 L CA -0.730 54.161 54.840 0.085 0.000 0.824 330 L CB 0.139 42.237 42.059 0.064 0.000 1.202 330 L HN 0.609 nan 8.230 nan 0.000 0.433 331 R N 1.691 122.250 120.500 0.099 0.000 2.716 331 R HA 0.509 4.849 4.340 -0.000 0.000 0.271 331 R C -1.128 175.224 176.300 0.088 0.000 1.028 331 R CA -0.714 55.483 56.100 0.162 0.000 0.883 331 R CB 1.203 31.692 30.300 0.315 0.000 1.250 331 R HN 0.348 nan 8.270 nan 0.000 0.465 332 T N -0.649 113.974 114.554 0.114 0.000 2.859 332 T HA 0.745 5.094 4.350 -0.000 0.000 0.281 332 T C 0.314 175.082 174.700 0.113 0.000 1.005 332 T CA -0.744 61.405 62.100 0.081 0.000 1.025 332 T CB 0.905 69.814 68.868 0.068 0.000 0.977 332 T HN 0.482 nan 8.240 nan 0.000 0.458 333 I N 2.278 122.894 120.570 0.077 0.000 2.499 333 I HA 0.508 4.678 4.170 -0.000 0.000 0.288 333 I C -0.133 175.999 176.117 0.025 0.000 1.048 333 I CA -0.874 60.483 61.300 0.095 0.000 1.062 333 I CB 2.190 40.254 38.000 0.106 0.000 1.238 333 I HN 0.598 nan 8.210 nan 0.000 0.426 334 R N 5.848 126.334 120.500 -0.024 0.000 2.502 334 R HA 0.608 4.948 4.340 -0.000 0.000 0.300 334 R C -1.751 174.325 176.300 -0.373 0.000 0.984 334 R CA -0.539 55.469 56.100 -0.153 0.000 0.882 334 R CB 2.059 32.287 30.300 -0.120 0.000 1.180 334 R HN 0.420 nan 8.270 nan 0.000 0.444 335 V N 5.375 124.914 119.914 -0.625 0.000 2.408 335 V HA 0.206 4.326 4.120 -0.000 0.000 0.267 335 V C -0.017 175.410 176.094 -1.112 0.000 1.047 335 V CA -0.545 61.029 62.300 -1.210 0.000 0.937 335 V CB 1.410 32.085 31.823 -1.914 0.000 0.999 335 V HN 0.470 nan 8.190 nan 0.000 0.472 336 V N 4.941 124.157 119.914 -1.163 0.000 2.348 336 V HA 0.366 4.486 4.120 -0.000 0.000 0.270 336 V C 0.109 175.705 176.094 -0.830 0.000 1.037 336 V CA -0.377 61.349 62.300 -0.956 0.000 0.872 336 V CB 1.072 32.148 31.823 -1.246 0.000 1.002 336 V HN 0.921 nan 8.190 nan 0.000 0.464 337 N N 4.377 122.747 118.700 -0.550 0.000 2.664 337 N HA 0.358 5.098 4.740 -0.000 0.000 0.257 337 N C -0.885 174.567 175.510 -0.097 0.000 1.108 337 N CA -0.293 52.583 53.050 -0.289 0.000 0.822 337 N CB 1.083 39.384 38.487 -0.309 0.000 1.199 337 N HN 0.764 nan 8.380 nan 0.000 0.529 338 E N 1.213 121.399 120.200 -0.023 0.000 2.314 338 E HA 0.286 4.636 4.350 -0.000 0.000 0.272 338 E C -0.798 175.844 176.600 0.070 0.000 0.884 338 E CA -0.887 55.523 56.400 0.016 0.000 0.753 338 E CB 2.080 31.780 29.700 -0.000 0.000 1.213 338 E HN 0.283 nan 8.360 nan 0.000 0.432 339 K N 2.346 122.789 120.400 0.073 0.000 2.489 339 K HA 0.028 4.348 4.320 -0.000 0.000 0.278 339 K C -0.362 176.284 176.600 0.078 0.000 1.000 339 K CA 0.705 57.043 56.287 0.084 0.000 1.012 339 K CB 0.207 32.752 32.500 0.074 0.000 0.903 339 K HN 0.479 nan 8.250 nan 0.000 0.485 340 D N 0.339 120.790 120.400 0.085 0.000 2.812 340 D HA 0.030 4.670 4.640 -0.000 0.000 0.318 340 D C 0.314 176.665 176.300 0.085 0.000 1.234 340 D CA -0.862 53.187 54.000 0.082 0.000 0.989 340 D CB 0.193 41.046 40.800 0.089 0.000 1.442 340 D HN 0.350 nan 8.370 nan 0.000 0.537 341 K N -0.895 119.558 120.400 0.088 0.000 2.362 341 K HA -0.060 4.260 4.320 -0.000 0.000 0.200 341 K C -0.046 176.623 176.600 0.115 0.000 1.046 341 K CA 1.239 57.582 56.287 0.093 0.000 0.952 341 K CB -0.157 32.398 32.500 0.091 0.000 0.753 341 K HN 0.241 nan 8.250 nan 0.000 0.466 342 D N -0.083 120.393 120.400 0.126 0.000 2.369 342 D HA 0.138 4.778 4.640 -0.000 0.000 0.211 342 D C 0.961 177.342 176.300 0.136 0.000 1.077 342 D CA 0.849 54.952 54.000 0.173 0.000 0.842 342 D CB 1.379 42.313 40.800 0.223 0.000 0.947 342 D HN 0.508 nan 8.370 nan 0.000 0.509 343 G N 1.070 109.932 108.800 0.104 0.000 1.732 343 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.054 343 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.054 343 G C -1.110 173.857 174.900 0.111 0.000 0.951 343 G CA -0.699 44.464 45.100 0.105 0.000 1.146 343 G HN 0.138 nan 8.290 nan 0.000 0.353 344 E N 0.996 121.270 120.200 0.124 0.000 2.281 344 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 344 E C -0.158 176.548 176.600 0.177 0.000 0.893 344 E CA -0.141 56.361 56.400 0.168 0.000 0.798 344 E CB 2.123 31.981 29.700 0.263 0.000 1.245 344 E HN 0.731 nan 8.360 nan 0.000 0.410 345 S N 2.151 117.946 115.700 0.158 0.000 2.589 345 S HA 0.363 4.833 4.470 -0.000 0.000 0.265 345 S C -0.234 174.523 174.600 0.261 0.000 1.342 345 S CA -0.311 58.008 58.200 0.200 0.000 1.005 345 S CB 0.563 63.913 63.200 0.248 0.000 0.909 345 S HN 0.517 nan 8.310 nan 0.000 0.555 346 F N 2.806 122.825 119.950 0.115 0.000 3.164 346 F HA 0.476 5.003 4.527 0.000 0.000 0.375 346 F C -1.261 174.558 175.800 0.031 0.000 1.257 346 F CA -0.681 57.290 58.000 -0.049 0.000 1.171 346 F CB 0.752 39.766 39.000 0.023 0.000 1.588 346 F HN 0.827 nan 8.300 nan 0.000 0.604 347 Y N 2.047 122.105 120.300 -0.403 0.000 2.655 347 Y HA 0.758 5.308 4.550 -0.000 0.000 0.336 347 Y C -2.101 173.519 175.900 -0.467 0.000 1.154 347 Y CA -2.316 55.682 58.100 -0.170 0.000 1.055 347 Y CB 1.092 39.599 38.460 0.078 0.000 1.295 347 Y HN 0.192 nan 8.280 nan 0.000 0.465 348 F N 1.548 121.541 119.950 0.071 0.000 2.420 348 F HA 0.402 4.929 4.527 -0.000 0.000 0.342 348 F C 0.134 176.035 175.800 0.167 0.000 1.113 348 F CA -0.569 57.411 58.000 -0.032 0.000 1.059 348 F CB 1.731 40.736 39.000 0.009 0.000 1.128 348 F HN 0.586 nan 8.300 nan 0.000 0.475 349 E N 3.704 124.027 120.200 0.205 0.000 2.129 349 E HA 0.510 4.860 4.350 -0.000 0.000 0.268 349 E C -1.762 174.991 176.600 0.254 0.000 0.900 349 E CA -0.515 56.048 56.400 0.272 0.000 0.755 349 E CB 1.555 31.356 29.700 0.168 0.000 1.117 349 E HN 0.456 nan 8.360 nan 0.000 0.410 350 V N 5.340 125.465 119.914 0.352 0.000 2.409 350 V HA 0.200 4.320 4.120 -0.000 0.000 0.291 350 V C 0.207 176.521 176.094 0.367 0.000 1.020 350 V CA -0.934 61.581 62.300 0.358 0.000 0.848 350 V CB 1.361 33.415 31.823 0.384 0.000 0.990 350 V HN 0.861 nan 8.190 nan 0.000 0.430 351 N N 3.908 122.765 118.700 0.263 0.000 2.710 351 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 351 N C 1.198 176.795 175.510 0.145 0.000 1.059 351 N CA 1.486 54.652 53.050 0.193 0.000 0.720 351 N CB -0.960 37.650 38.487 0.204 0.000 0.983 351 N HN 1.561 nan 8.380 nan 0.000 0.544 352 G N -1.249 107.642 108.800 0.151 0.000 2.159 352 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 352 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 352 G C 0.047 175.028 174.900 0.134 0.000 0.977 352 G CA 0.469 45.640 45.100 0.119 0.000 0.652 352 G HN 0.516 nan 8.290 nan 0.000 0.531 353 I N 1.220 121.904 120.570 0.190 0.000 2.378 353 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 353 I C -2.315 174.037 176.117 0.390 0.000 0.992 353 I CA -2.712 58.706 61.300 0.196 0.000 1.154 353 I CB 2.166 40.159 38.000 -0.012 0.000 1.315 353 I HN -0.208 nan 8.210 nan 0.000 0.448 354 P HA 0.077 nan 4.420 nan 0.000 0.267 354 P C -0.718 176.866 177.300 0.472 0.000 1.209 354 P CA 0.076 63.401 63.100 0.376 0.000 0.763 354 P CB 0.436 32.207 31.700 0.118 0.000 0.816 355 M N 5.461 125.322 119.600 0.434 0.000 2.114 355 M HA 0.365 4.845 4.480 -0.000 0.000 0.332 355 M C -0.985 175.438 176.300 0.206 0.000 1.014 355 M CA -1.136 54.305 55.300 0.236 0.000 0.956 355 M CB 0.489 33.023 32.600 -0.110 0.000 1.551 355 M HN 0.136 nan 8.290 nan 0.000 0.427 356 F N 4.411 124.400 119.950 0.064 0.000 2.541 356 F HA 0.421 4.948 4.527 -0.000 0.000 0.378 356 F C 0.171 175.921 175.800 -0.085 0.000 1.068 356 F CA -0.142 57.875 58.000 0.029 0.000 1.199 356 F CB 0.520 39.524 39.000 0.006 0.000 1.091 356 F HN 0.669 nan 8.300 nan 0.000 0.555 357 A N 6.982 129.539 122.820 -0.437 0.000 2.363 357 A HA 0.485 4.805 4.320 -0.000 0.000 0.270 357 A C -0.576 176.753 177.584 -0.424 0.000 1.121 357 A CA -0.555 51.278 52.037 -0.340 0.000 0.800 357 A CB 0.320 19.248 19.000 -0.120 0.000 1.052 357 A HN 0.811 nan 8.150 nan 0.000 0.493 358 K N 1.878 122.013 120.400 -0.442 0.000 2.613 358 K HA 0.601 4.921 4.320 -0.000 0.000 0.248 358 K C 0.053 176.244 176.600 -0.682 0.000 0.959 358 K CA -0.091 55.671 56.287 -0.874 0.000 0.855 358 K CB 2.136 33.797 32.500 -1.398 0.000 1.143 358 K HN 1.057 nan 8.250 nan 0.000 0.437 359 G N 1.083 109.672 108.800 -0.352 0.000 2.474 359 G HA2 0.721 4.681 3.960 -0.000 0.000 0.234 359 G HA3 0.721 4.681 3.960 -0.000 0.000 0.234 359 G C -1.777 172.965 174.900 -0.263 0.000 1.204 359 G CA -0.070 44.926 45.100 -0.174 0.000 0.939 359 G HN 0.653 nan 8.290 nan 0.000 0.491 360 A N -1.020 121.542 122.820 -0.430 0.000 2.586 360 A HA 0.748 5.068 4.320 -0.000 0.000 0.290 360 A C -1.430 175.861 177.584 -0.489 0.000 1.086 360 A CA -0.689 50.895 52.037 -0.755 0.000 0.665 360 A CB 0.990 19.240 19.000 -1.249 0.000 1.279 360 A HN 0.568 nan 8.150 nan 0.000 0.423 361 N N 0.593 118.953 118.700 -0.566 0.000 2.455 361 N HA 0.378 5.118 4.740 -0.000 0.000 0.280 361 N C -1.603 173.555 175.510 -0.586 0.000 1.055 361 N CA 0.165 52.929 53.050 -0.478 0.000 0.961 361 N CB 1.486 39.674 38.487 -0.497 0.000 1.121 361 N HN 0.637 nan 8.380 nan 0.000 0.476 362 Y N 3.643 123.661 120.300 -0.470 0.000 2.342 362 Y HA 0.474 5.024 4.550 0.000 0.000 0.334 362 Y C -0.057 175.587 175.900 -0.428 0.000 1.067 362 Y CA -0.833 56.999 58.100 -0.446 0.000 1.128 362 Y CB 0.631 38.938 38.460 -0.255 0.000 1.200 362 Y HN 0.447 nan 8.280 nan 0.000 0.464 363 I N 3.659 123.532 120.570 -1.161 0.000 3.100 363 I HA 0.753 4.923 4.170 -0.000 0.000 0.312 363 I C -2.778 172.591 176.117 -1.246 0.000 1.063 363 I CA -3.208 57.480 61.300 -1.019 0.000 1.031 363 I CB 1.770 39.019 38.000 -1.251 0.000 1.243 363 I HN 0.382 nan 8.210 nan 0.000 0.483 364 P HA 0.094 nan 4.420 nan 0.000 0.267 364 P C -0.568 176.436 177.300 -0.493 0.000 1.200 364 P CA 0.073 62.788 63.100 -0.642 0.000 0.772 364 P CB 0.438 31.673 31.700 -0.775 0.000 0.855 365 Q N 0.310 119.945 119.800 -0.275 0.000 2.472 365 Q HA 0.033 4.373 4.340 -0.000 0.000 0.208 365 Q C 0.146 176.192 176.000 0.078 0.000 0.958 365 Q CA 0.911 56.625 55.803 -0.149 0.000 0.932 365 Q CB 0.215 28.859 28.738 -0.157 0.000 1.007 365 Q HN 0.497 nan 8.270 nan 0.000 0.508 366 D N -2.419 118.063 120.400 0.137 0.000 2.706 366 D HA 0.197 4.837 4.640 -0.000 0.000 0.225 366 D C -0.416 176.085 176.300 0.334 0.000 1.241 366 D CA -0.023 54.166 54.000 0.315 0.000 0.784 366 D CB 1.436 42.432 40.800 0.327 0.000 1.521 366 D HN -0.063 nan 8.370 nan 0.000 0.461 367 A N 2.484 125.503 122.820 0.333 0.000 2.024 367 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 367 A C 1.025 178.665 177.584 0.093 0.000 1.164 367 A CA 1.042 53.198 52.037 0.199 0.000 0.643 367 A CB -0.103 18.973 19.000 0.128 0.000 0.806 367 A HN 0.471 nan 8.150 nan 0.000 0.451 368 L N 0.394 121.703 121.223 0.144 0.000 2.337 368 L HA 0.292 4.632 4.340 -0.000 0.000 0.269 368 L C 0.608 177.566 176.870 0.147 0.000 1.018 368 L CA -0.507 54.370 54.840 0.061 0.000 0.876 368 L CB 1.344 43.407 42.059 0.007 0.000 1.236 368 L HN 0.225 nan 8.230 nan 0.000 0.436 369 L N 3.172 124.505 121.223 0.183 0.000 2.013 369 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 369 L C -0.443 176.603 176.870 0.293 0.000 1.073 369 L CA 1.637 56.649 54.840 0.286 0.000 0.753 369 L CB -1.144 41.150 42.059 0.392 0.000 0.890 369 L HN 0.512 nan 8.230 nan 0.000 0.432 370 P HA -0.078 nan 4.420 nan 0.000 0.228 370 P C 0.750 178.138 177.300 0.146 0.000 1.151 370 P CA 0.924 64.137 63.100 0.189 0.000 0.770 370 P CB -0.078 31.691 31.700 0.115 0.000 0.786 371 N N -0.956 117.828 118.700 0.140 0.000 2.459 371 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 371 N C 0.089 175.683 175.510 0.140 0.000 1.046 371 N CA 0.432 53.557 53.050 0.124 0.000 0.904 371 N CB -0.497 38.064 38.487 0.123 0.000 0.964 371 N HN 0.027 nan 8.380 nan 0.000 0.444 372 V N 2.296 122.311 119.914 0.169 0.000 2.439 372 V HA 0.075 4.195 4.120 -0.000 0.000 0.271 372 V C 0.862 177.093 176.094 0.229 0.000 1.040 372 V CA -0.352 62.032 62.300 0.140 0.000 1.002 372 V CB 0.116 31.975 31.823 0.061 0.000 1.000 372 V HN 0.241 nan 8.190 nan 0.000 0.477 373 T N 1.158 115.818 114.554 0.177 0.000 2.874 373 T HA 0.184 4.534 4.350 -0.000 0.000 0.281 373 T C 1.376 176.250 174.700 0.290 0.000 0.994 373 T CA -0.047 62.171 62.100 0.196 0.000 1.015 373 T CB 1.239 70.182 68.868 0.125 0.000 1.028 373 T HN 0.569 nan 8.240 nan 0.000 0.523 374 T N 1.359 116.049 114.554 0.227 0.000 2.653 374 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 374 T C 1.745 176.566 174.700 0.203 0.000 1.035 374 T CA 2.088 64.314 62.100 0.209 0.000 1.154 374 T CB -0.515 68.417 68.868 0.107 0.000 0.862 374 T HN 0.760 nan 8.240 nan 0.000 0.441 375 E N 0.802 121.087 120.200 0.143 0.000 2.085 375 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 375 E C 2.396 179.063 176.600 0.112 0.000 0.994 375 E CA 1.044 57.510 56.400 0.110 0.000 0.801 375 E CB -0.209 29.538 29.700 0.079 0.000 0.743 375 E HN 0.416 nan 8.360 nan 0.000 0.453 376 R N -0.797 119.766 120.500 0.105 0.000 2.075 376 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 376 R C 2.162 178.490 176.300 0.047 0.000 1.126 376 R CA 1.311 57.432 56.100 0.034 0.000 0.963 376 R CB -0.380 29.900 30.300 -0.032 0.000 0.858 376 R HN 0.263 nan 8.270 nan 0.000 0.435 377 Y N 1.114 121.486 120.300 0.121 0.000 2.145 377 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 377 Y C 2.556 178.566 175.900 0.184 0.000 1.145 377 Y CA 1.535 59.739 58.100 0.173 0.000 1.148 377 Y CB -0.201 38.359 38.460 0.167 0.000 0.981 377 Y HN 0.118 nan 8.280 nan 0.000 0.507 378 Q N -0.839 119.125 119.800 0.273 0.000 2.096 378 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 378 Q C 2.171 178.272 176.000 0.168 0.000 0.982 378 Q CA 2.167 58.080 55.803 0.183 0.000 0.850 378 Q CB -0.429 28.377 28.738 0.114 0.000 0.901 378 Q HN 0.411 nan 8.270 nan 0.000 0.422 379 T N 1.576 116.206 114.554 0.126 0.000 2.746 379 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 379 T C 1.808 176.552 174.700 0.073 0.000 1.039 379 T CA 1.039 63.195 62.100 0.093 0.000 1.142 379 T CB -0.245 68.662 68.868 0.065 0.000 0.866 379 T HN 0.234 nan 8.240 nan 0.000 0.444 380 L N -0.121 121.122 121.223 0.034 0.000 2.083 380 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 380 L C 2.033 178.790 176.870 -0.189 0.000 1.083 380 L CA 1.616 56.400 54.840 -0.095 0.000 0.752 380 L CB -0.412 41.570 42.059 -0.128 0.000 0.899 380 L HN 0.145 nan 8.230 nan 0.000 0.433 381 F N -0.020 119.884 119.950 -0.077 0.000 2.186 381 F HA -0.135 4.392 4.527 0.000 0.000 0.299 381 F C 2.775 178.557 175.800 -0.031 0.000 1.090 381 F CA 1.667 59.602 58.000 -0.108 0.000 1.307 381 F CB -0.403 38.501 39.000 -0.161 0.000 1.019 381 F HN 0.036 nan 8.300 nan 0.000 0.489 382 R N 0.681 121.278 120.500 0.162 0.000 2.096 382 R HA -0.196 4.143 4.340 -0.000 0.000 0.240 382 R C 1.793 178.198 176.300 0.175 0.000 1.139 382 R CA 2.190 58.379 56.100 0.147 0.000 0.952 382 R CB -0.469 29.913 30.300 0.137 0.000 0.854 382 R HN 0.162 nan 8.270 nan 0.000 0.436 383 D N 0.240 120.731 120.400 0.152 0.000 2.123 383 D HA -0.209 4.430 4.640 -0.000 0.000 0.196 383 D C 1.988 178.344 176.300 0.093 0.000 0.992 383 D CA 1.647 55.741 54.000 0.157 0.000 0.833 383 D CB -0.187 40.546 40.800 -0.112 0.000 0.954 383 D HN 0.379 nan 8.370 nan 0.000 0.455 384 M N 0.209 119.788 119.600 -0.034 0.000 2.099 384 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 384 M C 2.275 178.583 176.300 0.013 0.000 1.067 384 M CA 1.133 56.400 55.300 -0.056 0.000 1.124 384 M CB -0.187 32.277 32.600 -0.226 0.000 1.353 384 M HN -0.110 nan 8.290 nan 0.000 0.410 385 K N 0.816 121.246 120.400 0.050 0.000 2.032 385 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 385 K C 1.619 178.279 176.600 0.099 0.000 1.048 385 K CA 1.583 57.910 56.287 0.067 0.000 0.927 385 K CB -0.001 32.548 32.500 0.082 0.000 0.712 385 K HN 0.357 nan 8.250 nan 0.000 0.441 386 E N -0.529 119.770 120.200 0.165 0.000 2.268 386 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 386 E C 1.203 177.938 176.600 0.226 0.000 0.995 386 E CA 0.678 57.220 56.400 0.236 0.000 0.836 386 E CB 0.089 30.014 29.700 0.375 0.000 0.763 386 E HN 0.358 nan 8.360 nan 0.000 0.491 387 A N 0.779 123.668 122.820 0.114 0.000 2.302 387 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 387 A C 0.178 177.824 177.584 0.103 0.000 1.243 387 A CA 0.134 52.159 52.037 -0.020 0.000 0.856 387 A CB -0.512 18.263 19.000 -0.375 0.000 0.893 387 A HN 0.375 nan 8.150 nan 0.000 0.491 388 N N -1.898 116.862 118.700 0.101 0.000 2.800 388 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 388 N C -0.128 175.390 175.510 0.013 0.000 1.078 388 N CA 0.849 53.949 53.050 0.084 0.000 0.804 388 N CB -1.475 37.094 38.487 0.137 0.000 1.135 388 N HN 0.610 nan 8.380 nan 0.000 0.565 389 M N 0.692 120.292 119.600 0.001 0.000 2.240 389 M HA 0.112 4.592 4.480 -0.000 0.000 0.333 389 M C 1.225 177.424 176.300 -0.168 0.000 1.110 389 M CA 0.506 55.729 55.300 -0.129 0.000 1.173 389 M CB 0.343 32.894 32.600 -0.081 0.000 1.458 389 M HN 0.261 nan 8.290 nan 0.000 0.458 390 N N 1.253 119.809 118.700 -0.240 0.000 2.160 390 N HA 0.283 5.023 4.740 -0.000 0.000 0.226 390 N C -0.649 174.755 175.510 -0.177 0.000 1.256 390 N CA -0.238 52.683 53.050 -0.215 0.000 0.890 390 N CB 0.759 39.063 38.487 -0.304 0.000 1.116 390 N HN 0.698 nan 8.380 nan 0.000 0.517 391 M N 0.397 119.892 119.600 -0.175 0.000 2.365 391 M HA 0.467 4.947 4.480 -0.000 0.000 0.288 391 M C -2.174 174.057 176.300 -0.115 0.000 1.152 391 M CA -0.858 54.361 55.300 -0.134 0.000 0.948 391 M CB 2.378 34.874 32.600 -0.173 0.000 1.729 391 M HN -0.160 nan 8.290 nan 0.000 0.487 392 V N 4.193 124.073 119.914 -0.057 0.000 2.735 392 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 392 V C -1.354 174.746 176.094 0.009 0.000 1.061 392 V CA -0.621 61.638 62.300 -0.069 0.000 0.913 392 V CB 2.288 34.058 31.823 -0.088 0.000 1.005 392 V HN 0.981 nan 8.190 nan 0.000 0.428 393 R N 5.883 126.347 120.500 -0.060 0.000 2.255 393 R HA 0.564 4.904 4.340 -0.000 0.000 0.326 393 R C -0.906 175.408 176.300 0.022 0.000 0.986 393 R CA -0.571 55.487 56.100 -0.070 0.000 0.847 393 R CB 1.023 31.077 30.300 -0.409 0.000 1.111 393 R HN 0.781 nan 8.270 nan 0.000 0.452 394 I N 5.926 126.548 120.570 0.085 0.000 2.269 394 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 394 I C -0.132 176.074 176.117 0.148 0.000 1.106 394 I CA -0.512 60.842 61.300 0.089 0.000 1.248 394 I CB 0.169 38.135 38.000 -0.056 0.000 1.444 394 I HN 0.618 nan 8.210 nan 0.000 0.497 395 W N 6.076 127.353 121.300 -0.038 0.000 2.170 395 W HA 0.352 5.012 4.660 -0.000 0.000 0.336 395 W C 1.246 177.749 176.519 -0.026 0.000 1.283 395 W CA -0.464 56.891 57.345 0.018 0.000 1.224 395 W CB 1.021 30.555 29.460 0.124 0.000 1.132 395 W HN 0.539 nan 8.180 nan 0.000 0.571 396 G N 2.671 111.092 108.800 -0.631 0.000 2.848 396 G HA2 0.035 3.995 3.960 -0.000 0.000 0.208 396 G HA3 0.035 3.995 3.960 -0.000 0.000 0.208 396 G C 0.989 175.316 174.900 -0.955 0.000 1.152 396 G CA 0.356 45.087 45.100 -0.615 0.000 0.789 396 G HN 0.849 nan 8.290 nan 0.000 0.531 397 G N -0.407 107.220 108.800 -1.955 0.000 3.088 397 G HA2 0.424 4.384 3.960 -0.000 0.000 0.217 397 G HA3 0.424 4.384 3.960 -0.000 0.000 0.217 397 G C 0.840 175.385 174.900 -0.592 0.000 1.159 397 G CA 0.652 44.810 45.100 -1.569 0.000 0.760 397 G HN 0.511 nan 8.290 nan 0.000 0.550 398 G N 0.116 108.677 108.800 -0.397 0.000 3.365 398 G HA2 0.503 4.463 3.960 -0.000 0.000 0.185 398 G HA3 0.503 4.463 3.960 -0.000 0.000 0.185 398 G C 0.128 174.971 174.900 -0.095 0.000 1.565 398 G CA 0.589 45.583 45.100 -0.178 0.000 0.984 398 G HN 0.564 nan 8.290 nan 0.000 0.604 399 T N -2.875 111.637 114.554 -0.069 0.000 2.916 399 T HA 0.547 4.897 4.350 -0.000 0.000 0.292 399 T C -1.081 173.548 174.700 -0.118 0.000 1.064 399 T CA -0.720 61.399 62.100 0.031 0.000 1.011 399 T CB 1.502 70.591 68.868 0.369 0.000 1.152 399 T HN 0.273 nan 8.240 nan 0.000 0.510 400 Y N 1.698 122.055 120.300 0.095 0.000 2.677 400 Y HA 0.243 4.793 4.550 0.000 0.000 0.335 400 Y C 1.451 177.526 175.900 0.291 0.000 1.162 400 Y CA -0.280 57.914 58.100 0.157 0.000 1.483 400 Y CB 0.003 38.557 38.460 0.157 0.000 1.209 400 Y HN 0.532 nan 8.280 nan 0.000 0.528 401 E N 2.588 123.004 120.200 0.359 0.000 2.410 401 E HA -0.033 4.317 4.350 -0.000 0.000 0.255 401 E C 0.025 176.878 176.600 0.422 0.000 1.194 401 E CA -0.257 56.294 56.400 0.251 0.000 0.955 401 E CB 0.384 29.834 29.700 -0.417 0.000 0.988 401 E HN 0.740 nan 8.360 nan 0.000 0.461 402 N N 1.044 119.911 118.700 0.278 0.000 2.354 402 N HA -0.036 4.704 4.740 -0.000 0.000 0.246 402 N C 0.529 176.169 175.510 0.217 0.000 1.285 402 N CA -0.192 52.958 53.050 0.166 0.000 0.925 402 N CB 0.230 38.717 38.487 0.000 0.000 1.174 402 N HN 0.206 nan 8.380 nan 0.000 0.478 403 N N -0.324 118.459 118.700 0.138 0.000 2.149 403 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 403 N C 1.411 176.975 175.510 0.092 0.000 1.019 403 N CA 0.703 53.855 53.050 0.171 0.000 0.857 403 N CB -0.495 38.062 38.487 0.116 0.000 0.997 403 N HN 0.606 nan 8.380 nan 0.000 0.426 404 L N 0.241 121.428 121.223 -0.061 0.000 2.083 404 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 404 L C 2.048 178.768 176.870 -0.251 0.000 1.083 404 L CA 1.279 56.011 54.840 -0.180 0.000 0.752 404 L CB -0.884 40.989 42.059 -0.311 0.000 0.899 404 L HN 0.055 nan 8.230 nan 0.000 0.433 405 F N -0.553 119.163 119.950 -0.389 0.000 2.065 405 F HA -0.343 4.184 4.527 -0.000 0.000 0.298 405 F C 2.042 177.521 175.800 -0.535 0.000 1.112 405 F CA 2.129 59.926 58.000 -0.338 0.000 1.212 405 F CB -0.431 38.393 39.000 -0.293 0.000 0.975 405 F HN 0.172 nan 8.300 nan 0.000 0.476 406 Y N 0.192 120.423 120.300 -0.115 0.000 2.314 406 Y HA -0.174 4.376 4.550 -0.000 0.000 0.293 406 Y C 2.340 177.958 175.900 -0.469 0.000 1.129 406 Y CA 1.116 58.959 58.100 -0.428 0.000 1.201 406 Y CB -0.814 37.034 38.460 -1.020 0.000 0.999 406 Y HN 0.052 nan 8.280 nan 0.000 0.541 407 D N 0.253 120.550 120.400 -0.171 0.000 2.123 407 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 407 D C 2.169 178.325 176.300 -0.239 0.000 0.992 407 D CA 1.214 55.182 54.000 -0.054 0.000 0.833 407 D CB -0.386 40.407 40.800 -0.011 0.000 0.954 407 D HN 0.303 nan 8.370 nan 0.000 0.455 408 L N 0.567 121.465 121.223 -0.542 0.000 2.056 408 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 408 L C 2.548 178.833 176.870 -0.975 0.000 1.078 408 L CA 1.096 55.408 54.840 -0.881 0.000 0.749 408 L CB -0.401 40.819 42.059 -1.398 0.000 0.901 408 L HN -0.029 nan 8.230 nan 0.000 0.433 409 A N -0.067 122.127 122.820 -1.042 0.000 1.908 409 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 409 A C 1.917 179.508 177.584 0.012 0.000 1.181 409 A CA 2.066 53.906 52.037 -0.329 0.000 0.627 409 A CB -0.568 18.360 19.000 -0.121 0.000 0.818 409 A HN 0.364 nan 8.150 nan 0.000 0.445 410 D N -0.077 120.340 120.400 0.029 0.000 2.104 410 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 410 D C 1.956 178.481 176.300 0.375 0.000 0.994 410 D CA 1.760 55.916 54.000 0.261 0.000 0.830 410 D CB -0.428 40.473 40.800 0.169 0.000 0.959 410 D HN 0.887 nan 8.370 nan 0.000 0.452 411 E N -0.379 119.891 120.200 0.117 0.000 2.481 411 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 411 E C 0.995 177.606 176.600 0.018 0.000 1.047 411 E CA 0.376 56.823 56.400 0.078 0.000 0.867 411 E CB 0.007 29.716 29.700 0.015 0.000 0.858 411 E HN 0.107 nan 8.360 nan 0.000 0.513 412 N N 0.551 119.257 118.700 0.010 0.000 2.184 412 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 412 N C 0.530 176.029 175.510 -0.018 0.000 1.151 412 N CA 0.687 53.741 53.050 0.007 0.000 0.878 412 N CB 1.410 39.932 38.487 0.059 0.000 1.014 412 N HN 0.357 nan 8.380 nan 0.000 0.512 413 G N 1.792 110.584 108.800 -0.013 0.000 2.221 413 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 413 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 413 G C -0.110 174.776 174.900 -0.024 0.000 1.041 413 G CA -0.018 44.940 45.100 -0.237 0.000 0.807 413 G HN 0.316 nan 8.290 nan 0.000 0.502 414 I N 0.347 121.019 120.570 0.170 0.000 2.330 414 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 414 I C 0.654 176.892 176.117 0.202 0.000 1.001 414 I CA -1.146 60.229 61.300 0.125 0.000 1.193 414 I CB 1.124 39.193 38.000 0.115 0.000 1.345 414 I HN -0.059 nan 8.210 nan 0.000 0.461 415 L N 7.332 128.642 121.223 0.144 0.000 2.485 415 L HA 0.121 4.461 4.340 -0.000 0.000 0.275 415 L C -0.039 176.867 176.870 0.059 0.000 1.207 415 L CA 0.493 55.392 54.840 0.098 0.000 0.855 415 L CB 0.611 42.645 42.059 -0.041 0.000 1.114 415 L HN 0.276 nan 8.230 nan 0.000 0.485 416 V N 2.630 122.591 119.914 0.078 0.000 2.378 416 V HA 0.218 4.338 4.120 -0.000 0.000 0.288 416 V C -0.686 175.498 176.094 0.150 0.000 1.016 416 V CA -0.742 61.633 62.300 0.126 0.000 0.840 416 V CB 1.455 33.383 31.823 0.176 0.000 0.994 416 V HN 0.703 nan 8.190 nan 0.000 0.431 417 W N 5.975 127.272 121.300 -0.005 0.000 2.342 417 W HA 0.506 5.166 4.660 -0.000 0.000 0.310 417 W C -0.372 176.137 176.519 -0.018 0.000 1.128 417 W CA -0.931 56.437 57.345 0.038 0.000 1.322 417 W CB 1.251 30.789 29.460 0.130 0.000 1.251 417 W HN 0.635 nan 8.180 nan 0.000 0.439 418 Q N 4.853 124.751 119.800 0.163 0.000 2.400 418 Q HA 0.209 4.549 4.340 -0.000 0.000 0.255 418 Q C -0.802 175.275 176.000 0.128 0.000 1.008 418 Q CA -0.156 55.644 55.803 -0.004 0.000 0.841 418 Q CB 0.555 28.965 28.738 -0.546 0.000 1.220 418 Q HN 0.285 nan 8.270 nan 0.000 0.474 419 D N 2.895 123.444 120.400 0.249 0.000 2.372 419 D HA 0.130 4.770 4.640 -0.000 0.000 0.243 419 D C -0.344 176.031 176.300 0.125 0.000 1.121 419 D CA 0.176 54.328 54.000 0.252 0.000 0.898 419 D CB 0.402 41.303 40.800 0.169 0.000 1.202 419 D HN 0.414 nan 8.370 nan 0.000 0.428 420 F N 0.635 120.829 119.950 0.407 0.000 2.440 420 F HA 0.106 4.633 4.527 -0.000 0.000 0.323 420 F C 1.445 177.211 175.800 -0.056 0.000 1.192 420 F CA -0.349 57.878 58.000 0.379 0.000 1.252 420 F CB 0.388 39.771 39.000 0.639 0.000 1.214 420 F HN 0.039 nan 8.300 nan 0.000 0.578 421 M N 3.565 122.938 119.600 -0.379 0.000 3.586 421 M HA 0.196 4.676 4.480 -0.000 0.000 0.225 421 M C -1.528 174.227 176.300 -0.907 0.000 1.428 421 M CA 0.335 55.160 55.300 -0.791 0.000 1.613 421 M CB -1.664 30.161 32.600 -1.292 0.000 1.063 421 M HN 0.290 nan 8.290 nan 0.000 0.593 422 F N 0.527 120.413 119.950 -0.107 0.000 2.561 422 F HA 0.705 5.232 4.527 -0.000 0.000 0.313 422 F C -0.210 175.632 175.800 0.071 0.000 1.126 422 F CA -0.998 56.956 58.000 -0.077 0.000 0.918 422 F CB 1.857 40.835 39.000 -0.036 0.000 1.199 422 F HN 0.331 nan 8.300 nan 0.000 0.444 423 A N 1.253 124.343 122.820 0.450 0.000 2.456 423 A HA 0.590 4.910 4.320 -0.000 0.000 0.288 423 A C -0.042 177.868 177.584 0.543 0.000 1.042 423 A CA -0.733 51.504 52.037 0.334 0.000 0.738 423 A CB 0.674 19.629 19.000 -0.075 0.000 1.266 423 A HN 1.140 nan 8.150 nan 0.000 0.407 424 C N 0.325 119.897 119.300 0.453 0.000 4.497 424 C HA -0.101 4.359 4.460 -0.000 0.000 0.268 424 C C 0.795 176.013 174.990 0.381 0.000 1.343 424 C CA 1.532 60.825 59.018 0.458 0.000 1.742 424 C CB -2.456 25.638 27.740 0.590 0.000 1.450 424 C HN 1.654 nan 8.230 nan 0.000 0.733 425 T N 0.049 114.770 114.554 0.278 0.000 2.932 425 T HA 0.585 4.935 4.350 -0.000 0.000 0.318 425 T C -2.810 171.970 174.700 0.133 0.000 1.265 425 T CA -0.916 61.270 62.100 0.144 0.000 1.036 425 T CB 2.321 71.118 68.868 -0.118 0.000 1.209 425 T HN -0.028 nan 8.240 nan 0.000 0.484 426 P HA 0.269 nan 4.420 nan 0.000 0.270 426 P C -1.253 176.067 177.300 0.033 0.000 1.223 426 P CA -0.062 63.193 63.100 0.257 0.000 0.785 426 P CB 0.469 32.282 31.700 0.188 0.000 0.923 427 Y N -0.447 119.923 120.300 0.118 0.000 2.598 427 Y HA 0.436 4.986 4.550 0.000 0.000 0.340 427 Y C -1.683 174.039 175.900 -0.295 0.000 1.038 427 Y CA -2.302 55.666 58.100 -0.220 0.000 1.100 427 Y CB 0.736 39.210 38.460 0.024 0.000 1.281 427 Y HN 0.267 nan 8.280 nan 0.000 0.488 428 P HA 0.036 nan 4.420 nan 0.000 0.270 428 P C -0.273 176.904 177.300 -0.205 0.000 1.227 428 P CA 0.311 63.174 63.100 -0.395 0.000 0.788 428 P CB 0.529 31.762 31.700 -0.778 0.000 0.926 429 S N -2.402 113.294 115.700 -0.006 0.000 3.101 429 S HA 0.085 4.554 4.470 -0.000 0.000 0.252 429 S C -0.072 174.574 174.600 0.078 0.000 0.920 429 S CA -0.703 57.533 58.200 0.059 0.000 1.158 429 S CB -0.726 62.447 63.200 -0.046 0.000 1.125 429 S HN 0.498 nan 8.310 nan 0.000 0.608 430 D N 1.615 122.088 120.400 0.122 0.000 2.368 430 D HA 0.168 4.808 4.640 -0.000 0.000 0.240 430 D C -1.924 174.453 176.300 0.127 0.000 1.169 430 D CA -1.049 53.021 54.000 0.117 0.000 0.906 430 D CB 0.734 41.610 40.800 0.126 0.000 1.187 430 D HN -0.024 nan 8.370 nan 0.000 0.435 431 P HA -0.163 nan 4.420 nan 0.000 0.216 431 P C 1.428 178.769 177.300 0.069 0.000 1.153 431 P CA 1.697 64.828 63.100 0.052 0.000 0.858 431 P CB 0.000 31.721 31.700 0.035 0.000 0.789 432 T N -1.284 113.331 114.554 0.101 0.000 2.746 432 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 432 T C 1.454 176.241 174.700 0.145 0.000 1.039 432 T CA 1.057 63.222 62.100 0.109 0.000 1.142 432 T CB -0.944 67.997 68.868 0.122 0.000 0.866 432 T HN 0.030 nan 8.240 nan 0.000 0.444 433 F N 1.555 121.541 119.950 0.059 0.000 2.146 433 F HA 0.061 4.588 4.527 0.000 0.000 0.298 433 F C 1.876 177.693 175.800 0.029 0.000 1.096 433 F CA 1.017 59.063 58.000 0.075 0.000 1.275 433 F CB -0.386 38.671 39.000 0.095 0.000 1.008 433 F HN 0.043 nan 8.300 nan 0.000 0.480 434 L N -0.150 121.103 121.223 0.050 0.000 2.141 434 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 434 L C 2.366 179.151 176.870 -0.142 0.000 1.094 434 L CA 1.214 55.992 54.840 -0.103 0.000 0.763 434 L CB -0.662 41.357 42.059 -0.068 0.000 0.908 434 L HN 0.070 nan 8.230 nan 0.000 0.437 435 K N 0.621 120.974 120.400 -0.079 0.000 2.057 435 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 435 K C 2.191 178.734 176.600 -0.096 0.000 1.049 435 K CA 1.341 57.586 56.287 -0.069 0.000 0.931 435 K CB -0.039 32.449 32.500 -0.021 0.000 0.714 435 K HN 0.100 nan 8.250 nan 0.000 0.440 436 R N -0.413 120.016 120.500 -0.118 0.000 2.083 436 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 436 R C 2.185 178.385 176.300 -0.167 0.000 1.137 436 R CA 1.699 57.721 56.100 -0.130 0.000 0.951 436 R CB -0.632 29.573 30.300 -0.159 0.000 0.851 436 R HN 0.035 nan 8.270 nan 0.000 0.434 437 V N 1.087 120.834 119.914 -0.278 0.000 2.343 437 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 437 V C 2.315 178.307 176.094 -0.170 0.000 1.051 437 V CA 1.918 64.096 62.300 -0.203 0.000 1.036 437 V CB -0.527 31.135 31.823 -0.268 0.000 0.654 437 V HN 0.401 nan 8.190 nan 0.000 0.451 438 E N 0.352 120.441 120.200 -0.185 0.000 2.085 438 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 438 E C 2.234 178.743 176.600 -0.151 0.000 0.994 438 E CA 1.470 57.767 56.400 -0.171 0.000 0.801 438 E CB -0.220 29.397 29.700 -0.138 0.000 0.743 438 E HN 0.575 nan 8.360 nan 0.000 0.453 439 A N 1.611 124.359 122.820 -0.121 0.000 1.902 439 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 439 A C 2.058 179.579 177.584 -0.104 0.000 1.181 439 A CA 1.856 53.826 52.037 -0.112 0.000 0.623 439 A CB -0.707 18.237 19.000 -0.093 0.000 0.818 439 A HN 0.583 nan 8.150 nan 0.000 0.443 440 E N -0.043 120.113 120.200 -0.073 0.000 2.107 440 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 440 E C 2.010 178.539 176.600 -0.118 0.000 0.982 440 E CA 1.003 57.383 56.400 -0.033 0.000 0.809 440 E CB -0.409 29.352 29.700 0.101 0.000 0.756 440 E HN 0.435 nan 8.360 nan 0.000 0.459 441 A N 1.705 124.452 122.820 -0.121 0.000 1.845 441 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 441 A C 2.548 179.973 177.584 -0.265 0.000 1.195 441 A CA 1.741 53.696 52.037 -0.137 0.000 0.616 441 A CB -0.996 17.848 19.000 -0.260 0.000 0.832 441 A HN 0.191 nan 8.150 nan 0.000 0.443 442 V N -1.239 118.478 119.914 -0.328 0.000 2.287 442 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 442 V C 2.383 178.208 176.094 -0.448 0.000 1.053 442 V CA 2.331 64.291 62.300 -0.565 0.000 1.027 442 V CB -1.102 30.361 31.823 -0.601 0.000 0.646 442 V HN 0.704 nan 8.190 nan 0.000 0.447 443 Y N 1.727 121.806 120.300 -0.368 0.000 2.097 443 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 443 Y C 2.566 178.305 175.900 -0.269 0.000 1.152 443 Y CA 2.229 60.153 58.100 -0.294 0.000 1.136 443 Y CB -0.409 37.904 38.460 -0.245 0.000 0.975 443 Y HN 0.275 nan 8.280 nan 0.000 0.498 444 N N 0.349 118.857 118.700 -0.320 0.000 2.270 444 N HA -0.131 4.609 4.740 -0.000 0.000 0.181 444 N C 1.949 177.318 175.510 -0.235 0.000 1.016 444 N CA 1.593 54.419 53.050 -0.373 0.000 0.870 444 N CB -0.169 38.002 38.487 -0.526 0.000 0.979 444 N HN 0.450 nan 8.380 nan 0.000 0.431 445 I N 1.398 121.789 120.570 -0.300 0.000 2.142 445 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 445 I C 2.474 178.448 176.117 -0.237 0.000 1.078 445 I CA 1.136 62.288 61.300 -0.247 0.000 1.343 445 I CB -0.151 37.583 38.000 -0.444 0.000 1.046 445 I HN 0.035 nan 8.210 nan 0.000 0.405 446 R N 0.180 120.452 120.500 -0.380 0.000 2.096 446 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 446 R C 2.435 178.529 176.300 -0.343 0.000 1.127 446 R CA 1.237 57.115 56.100 -0.370 0.000 0.968 446 R CB -0.395 29.678 30.300 -0.378 0.000 0.861 446 R HN 0.328 nan 8.270 nan 0.000 0.440 447 R N 0.869 121.110 120.500 -0.432 0.000 2.096 447 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 447 R C 1.791 177.943 176.300 -0.246 0.000 1.127 447 R CA 1.241 57.108 56.100 -0.388 0.000 0.968 447 R CB 0.021 29.977 30.300 -0.574 0.000 0.861 447 R HN 0.197 nan 8.270 nan 0.000 0.440 448 L N 0.374 121.474 121.223 -0.204 0.000 2.556 448 L HA 0.132 4.472 4.340 -0.000 0.000 0.226 448 L C 2.075 178.890 176.870 -0.092 0.000 1.089 448 L CA 0.042 54.797 54.840 -0.142 0.000 0.864 448 L CB -0.037 41.843 42.059 -0.298 0.000 1.067 448 L HN 0.198 nan 8.230 nan 0.000 0.477 449 R N -0.427 119.995 120.500 -0.130 0.000 2.316 449 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 449 R C 0.908 177.122 176.300 -0.144 0.000 1.029 449 R CA 0.819 56.864 56.100 -0.091 0.000 1.018 449 R CB -0.427 29.766 30.300 -0.177 0.000 0.888 449 R HN 0.336 nan 8.270 nan 0.000 0.471 450 N N 0.515 119.008 118.700 -0.345 0.000 2.336 450 N HA -0.006 4.734 4.740 -0.000 0.000 0.189 450 N C -0.460 174.767 175.510 -0.473 0.000 1.113 450 N CA 0.150 52.907 53.050 -0.489 0.000 0.858 450 N CB 0.179 38.095 38.487 -0.953 0.000 0.970 450 N HN 0.300 nan 8.380 nan 0.000 0.471 451 H N 0.630 119.550 119.070 -0.249 0.000 2.742 451 H HA 0.183 4.739 4.556 0.000 0.000 0.302 451 H C 1.060 176.210 175.328 -0.296 0.000 1.069 451 H CA -0.231 55.689 56.048 -0.214 0.000 1.446 451 H CB 1.501 31.186 29.762 -0.127 0.000 1.462 451 H HN 0.072 nan 8.280 nan 0.000 0.499 452 A N 3.432 126.063 122.820 -0.314 0.000 1.948 452 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 452 A C 2.359 179.454 177.584 -0.814 0.000 1.177 452 A CA 2.052 53.652 52.037 -0.728 0.000 0.636 452 A CB -0.496 17.733 19.000 -1.286 0.000 0.815 452 A HN 0.731 nan 8.150 nan 0.000 0.449 453 S N -0.993 114.447 115.700 -0.433 0.000 2.428 453 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 453 S C 0.707 175.253 174.600 -0.090 0.000 1.014 453 S CA 0.447 58.532 58.200 -0.191 0.000 0.957 453 S CB -0.674 62.559 63.200 0.054 0.000 0.784 453 S HN 0.418 nan 8.310 nan 0.000 0.499 454 L N 1.966 123.139 121.223 -0.083 0.000 2.500 454 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 454 L C 0.830 177.640 176.870 -0.099 0.000 1.149 454 L CA 0.154 54.939 54.840 -0.093 0.000 0.897 454 L CB 0.366 42.336 42.059 -0.148 0.000 1.178 454 L HN 0.201 nan 8.230 nan 0.000 0.473 455 A N 6.501 129.285 122.820 -0.059 0.000 2.127 455 A HA 0.482 4.802 4.320 -0.000 0.000 0.204 455 A C 0.407 178.030 177.584 0.066 0.000 1.243 455 A CA 0.805 52.869 52.037 0.045 0.000 0.887 455 A CB 0.064 19.136 19.000 0.120 0.000 0.933 455 A HN 0.786 nan 8.150 nan 0.000 0.479 456 M N -4.549 115.011 119.600 -0.066 0.000 2.956 456 M HA 0.582 5.062 4.480 -0.000 0.000 0.272 456 M C -2.346 173.790 176.300 -0.274 0.000 1.132 456 M CA -0.706 54.561 55.300 -0.055 0.000 0.805 456 M CB 0.795 33.404 32.600 0.015 0.000 1.639 456 M HN 0.046 nan 8.290 nan 0.000 0.520 457 W N 0.651 121.929 121.300 -0.038 0.000 2.689 457 W HA 0.780 5.440 4.660 -0.000 0.000 0.340 457 W C -1.054 175.401 176.519 -0.106 0.000 1.060 457 W CA -0.377 56.956 57.345 -0.018 0.000 1.218 457 W CB 2.036 31.604 29.460 0.181 0.000 1.410 457 W HN 0.869 nan 8.180 nan 0.000 0.528 458 C N 2.257 121.710 119.300 0.254 0.000 2.431 458 C HA 0.598 5.058 4.460 -0.000 0.000 0.321 458 C C 1.510 176.734 174.990 0.390 0.000 1.202 458 C CA 0.079 59.167 59.018 0.116 0.000 1.398 458 C CB 0.410 28.372 27.740 0.370 0.000 2.047 458 C HN 0.994 nan 8.230 nan 0.000 0.465 459 G N 4.218 113.128 108.800 0.184 0.000 2.469 459 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.219 459 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.219 459 G C 0.277 175.449 174.900 0.453 0.000 1.150 459 G CA 1.575 47.013 45.100 0.562 0.000 0.763 459 G HN 1.149 nan 8.290 nan 0.000 0.561 460 N N -2.717 116.079 118.700 0.161 0.000 3.185 460 N HA 0.203 4.943 4.740 -0.000 0.000 0.238 460 N C -1.622 173.967 175.510 0.132 0.000 1.451 460 N CA -0.890 52.223 53.050 0.104 0.000 0.888 460 N CB 0.574 38.876 38.487 -0.309 0.000 1.413 460 N HN 0.002 nan 8.380 nan 0.000 0.511 461 N N 0.027 118.808 118.700 0.135 0.000 2.426 461 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 461 N C -0.847 174.793 175.510 0.217 0.000 1.002 461 N CA -0.145 53.038 53.050 0.221 0.000 0.942 461 N CB 0.355 38.956 38.487 0.190 0.000 1.112 461 N HN 0.744 nan 8.380 nan 0.000 0.499 462 E N 1.430 121.721 120.200 0.152 0.000 3.170 462 E HA -0.282 4.068 4.350 -0.000 0.000 0.284 462 E C 0.577 177.097 176.600 -0.133 0.000 0.967 462 E CA 0.566 56.983 56.400 0.028 0.000 0.919 462 E CB -1.314 28.522 29.700 0.227 0.000 1.469 462 E HN 0.676 nan 8.360 nan 0.000 0.444 463 I N -0.220 120.334 120.570 -0.026 0.000 2.233 463 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 463 I C 2.420 178.434 176.117 -0.172 0.000 1.093 463 I CA 0.933 62.231 61.300 -0.003 0.000 1.380 463 I CB -0.230 37.880 38.000 0.184 0.000 1.067 463 I HN 0.132 nan 8.210 nan 0.000 0.413 464 L N 1.240 122.334 121.223 -0.216 0.000 2.046 464 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 464 L C 2.446 179.115 176.870 -0.336 0.000 1.077 464 L CA 1.888 56.473 54.840 -0.424 0.000 0.747 464 L CB -0.681 41.225 42.059 -0.254 0.000 0.896 464 L HN 0.243 nan 8.230 nan 0.000 0.432 465 E N -0.691 119.340 120.200 -0.280 0.000 2.058 465 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 465 E C 2.128 178.258 176.600 -0.785 0.000 0.997 465 E CA 1.368 57.591 56.400 -0.295 0.000 0.801 465 E CB -0.223 29.344 29.700 -0.222 0.000 0.746 465 E HN 0.595 nan 8.360 nan 0.000 0.450 466 A N 0.901 122.998 122.820 -1.204 0.000 1.883 466 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 466 A C 2.228 179.301 177.584 -0.853 0.000 1.186 466 A CA 1.507 52.660 52.037 -1.474 0.000 0.624 466 A CB -0.815 17.692 19.000 -0.821 0.000 0.822 466 A HN 0.346 nan 8.150 nan 0.000 0.444 467 L N -1.249 119.730 121.223 -0.405 0.000 2.131 467 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 467 L C 2.535 179.287 176.870 -0.197 0.000 1.092 467 L CA 1.667 56.420 54.840 -0.145 0.000 0.759 467 L CB -0.256 41.678 42.059 -0.208 0.000 0.903 467 L HN 0.371 nan 8.230 nan 0.000 0.435 468 K N -1.671 118.464 120.400 -0.443 0.000 2.202 468 K HA 0.003 4.323 4.320 -0.000 0.000 0.201 468 K C 1.117 177.255 176.600 -0.771 0.000 1.051 468 K CA 0.898 56.779 56.287 -0.677 0.000 0.977 468 K CB 0.266 32.154 32.500 -1.021 0.000 0.792 468 K HN 0.149 nan 8.250 nan 0.000 0.469 469 Y N -2.538 117.626 120.300 -0.226 0.000 2.471 469 Y HA 0.113 4.663 4.550 -0.000 0.000 0.249 469 Y C 0.507 176.459 175.900 0.086 0.000 1.116 469 Y CA -0.669 57.381 58.100 -0.083 0.000 1.240 469 Y CB 0.585 39.017 38.460 -0.046 0.000 1.251 469 Y HN 0.072 nan 8.280 nan 0.000 0.527 470 W N 0.524 121.666 121.300 -0.262 0.000 3.330 470 W HA 0.532 5.192 4.660 -0.000 0.000 0.348 470 W C 1.243 177.596 176.519 -0.277 0.000 1.205 470 W CA -0.204 56.943 57.345 -0.330 0.000 1.841 470 W CB -0.434 28.717 29.460 -0.516 0.000 1.084 470 W HN 0.167 nan 8.180 nan 0.000 0.665 471 G N 0.454 109.250 108.800 -0.007 0.000 2.198 471 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 471 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 471 G C 0.665 175.660 174.900 0.159 0.000 1.042 471 G CA 0.091 45.214 45.100 0.039 0.000 0.791 471 G HN 0.087 nan 8.290 nan 0.000 0.502 472 F N 0.634 120.645 119.950 0.103 0.000 2.202 472 F HA 0.019 4.546 4.527 -0.000 0.000 0.301 472 F C 2.391 178.147 175.800 -0.073 0.000 1.082 472 F CA 1.668 59.784 58.000 0.193 0.000 1.313 472 F CB -0.676 38.681 39.000 0.595 0.000 1.024 472 F HN 0.492 nan 8.300 nan 0.000 0.495 473 E N 0.151 120.223 120.200 -0.212 0.000 2.413 473 E HA -0.032 4.318 4.350 -0.000 0.000 0.203 473 E C 2.052 178.451 176.600 -0.335 0.000 0.957 473 E CA 0.682 56.573 56.400 -0.848 0.000 0.950 473 E CB -0.044 29.180 29.700 -0.793 0.000 0.957 473 E HN 0.368 nan 8.360 nan 0.000 0.497 474 K N 0.069 120.361 120.400 -0.180 0.000 2.525 474 K HA 0.211 4.531 4.320 -0.000 0.000 0.192 474 K C 1.746 178.245 176.600 -0.169 0.000 1.029 474 K CA 0.974 57.182 56.287 -0.132 0.000 1.029 474 K CB -0.573 31.875 32.500 -0.086 0.000 0.814 474 K HN 0.381 nan 8.250 nan 0.000 0.503 475 K N -0.766 119.479 120.400 -0.259 0.000 2.361 475 K HA 0.306 4.626 4.320 -0.000 0.000 0.194 475 K C -0.707 175.354 176.600 -0.898 0.000 1.032 475 K CA 0.092 56.036 56.287 -0.572 0.000 1.048 475 K CB 0.221 32.262 32.500 -0.764 0.000 0.842 475 K HN 0.318 nan 8.250 nan 0.000 0.526 476 F N 0.130 120.037 119.950 -0.072 0.000 2.603 476 F HA 0.153 4.680 4.527 -0.000 0.000 0.317 476 F C 0.558 176.308 175.800 -0.084 0.000 1.066 476 F CA -1.485 56.460 58.000 -0.092 0.000 0.941 476 F CB 1.040 39.983 39.000 -0.095 0.000 1.291 476 F HN -0.189 nan 8.300 nan 0.000 0.472 477 T N -1.038 113.584 114.554 0.114 0.000 2.906 477 T HA 0.116 4.466 4.350 -0.000 0.000 0.320 477 T C -2.068 172.672 174.700 0.066 0.000 1.088 477 T CA -1.064 61.066 62.100 0.051 0.000 1.120 477 T CB 0.831 69.716 68.868 0.029 0.000 1.000 477 T HN 0.319 nan 8.240 nan 0.000 0.550 478 P HA -0.051 nan 4.420 nan 0.000 0.218 478 P C 1.267 178.600 177.300 0.055 0.000 1.148 478 P CA 0.966 64.099 63.100 0.055 0.000 0.822 478 P CB 0.075 31.789 31.700 0.024 0.000 0.784 479 E N -0.728 119.486 120.200 0.023 0.000 2.047 479 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 479 E C 2.049 178.628 176.600 -0.035 0.000 0.987 479 E CA 0.943 57.343 56.400 0.001 0.000 0.799 479 E CB -1.229 28.472 29.700 0.000 0.000 0.752 479 E HN -0.024 nan 8.360 nan 0.000 0.449 480 V N 0.160 120.027 119.914 -0.079 0.000 2.343 480 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 480 V C 1.874 177.799 176.094 -0.282 0.000 1.051 480 V CA 1.688 63.821 62.300 -0.278 0.000 1.036 480 V CB -0.473 31.046 31.823 -0.507 0.000 0.654 480 V HN 0.316 nan 8.190 nan 0.000 0.451 481 Y N 0.409 120.581 120.300 -0.213 0.000 2.242 481 Y HA -0.186 4.364 4.550 0.000 0.000 0.291 481 Y C 2.734 178.578 175.900 -0.094 0.000 1.137 481 Y CA 1.538 59.547 58.100 -0.152 0.000 1.181 481 Y CB -0.073 38.374 38.460 -0.022 0.000 0.989 481 Y HN 0.211 nan 8.280 nan 0.000 0.527 482 Q N -0.618 119.187 119.800 0.009 0.000 2.124 482 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 482 Q C 2.538 178.515 176.000 -0.038 0.000 0.977 482 Q CA 1.288 57.081 55.803 -0.016 0.000 0.850 482 Q CB -0.991 27.750 28.738 0.006 0.000 0.901 482 Q HN 0.610 nan 8.270 nan 0.000 0.429 483 G N 0.911 109.675 108.800 -0.060 0.000 2.446 483 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 483 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 483 G C 1.576 176.451 174.900 -0.042 0.000 1.168 483 G CA 0.612 45.699 45.100 -0.021 0.000 0.771 483 G HN 0.283 nan 8.290 nan 0.000 0.551 484 L N -0.013 121.094 121.223 -0.194 0.000 2.046 484 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 484 L C 3.124 179.928 176.870 -0.111 0.000 1.077 484 L CA 0.790 55.504 54.840 -0.210 0.000 0.747 484 L CB -0.391 41.373 42.059 -0.491 0.000 0.896 484 L HN 0.153 nan 8.230 nan 0.000 0.432 485 M N -1.007 118.491 119.600 -0.169 0.000 2.117 485 M HA -0.255 4.225 4.480 -0.000 0.000 0.262 485 M C 2.303 178.664 176.300 0.101 0.000 1.065 485 M CA 1.754 57.024 55.300 -0.049 0.000 1.114 485 M CB -1.586 30.970 32.600 -0.074 0.000 1.361 485 M HN 0.377 nan 8.290 nan 0.000 0.408 486 H N -0.313 118.752 119.070 -0.009 0.000 2.357 486 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 486 H C 1.968 177.311 175.328 0.026 0.000 1.082 486 H CA 1.437 57.491 56.048 0.010 0.000 1.342 486 H CB 0.131 29.889 29.762 -0.008 0.000 1.389 486 H HN 0.391 nan 8.280 nan 0.000 0.511 487 G N -0.316 108.464 108.800 -0.033 0.000 2.422 487 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 487 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 487 G C 1.601 176.466 174.900 -0.059 0.000 1.146 487 G CA 0.715 45.761 45.100 -0.091 0.000 0.769 487 G HN 0.532 nan 8.290 nan 0.000 0.547 488 Y N 1.892 122.187 120.300 -0.007 0.000 2.128 488 Y HA -0.190 4.360 4.550 0.000 0.000 0.284 488 Y C 2.456 178.395 175.900 0.065 0.000 1.154 488 Y CA 2.223 60.403 58.100 0.133 0.000 1.149 488 Y CB -0.042 38.488 38.460 0.116 0.000 0.976 488 Y HN 0.195 nan 8.280 nan 0.000 0.505 489 D N 0.002 120.467 120.400 0.109 0.000 2.117 489 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 489 D C 2.046 178.235 176.300 -0.186 0.000 0.987 489 D CA 1.430 55.429 54.000 -0.002 0.000 0.829 489 D CB -0.268 40.562 40.800 0.049 0.000 0.961 489 D HN 0.380 nan 8.370 nan 0.000 0.460 490 K N -0.154 120.079 120.400 -0.279 0.000 2.063 490 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 490 K C 1.934 178.310 176.600 -0.374 0.000 1.048 490 K CA 0.669 56.764 56.287 -0.321 0.000 0.928 490 K CB -0.094 32.194 32.500 -0.354 0.000 0.713 490 K HN 0.068 nan 8.250 nan 0.000 0.442 491 L N -0.505 120.400 121.223 -0.530 0.000 2.121 491 L HA 0.033 4.373 4.340 -0.000 0.000 0.200 491 L C 1.624 177.943 176.870 -0.919 0.000 1.077 491 L CA 1.675 55.996 54.840 -0.864 0.000 0.766 491 L CB -0.310 40.983 42.059 -1.276 0.000 0.931 491 L HN -0.006 nan 8.230 nan 0.000 0.452 492 F N -0.547 119.104 119.950 -0.498 0.000 2.656 492 F HA 0.236 4.763 4.527 -0.000 0.000 0.291 492 F C 2.117 177.834 175.800 -0.138 0.000 1.122 492 F CA 0.313 58.090 58.000 -0.371 0.000 1.427 492 F CB -0.201 38.411 39.000 -0.647 0.000 1.125 492 F HN -0.031 nan 8.300 nan 0.000 0.583 493 R N -0.396 120.067 120.500 -0.062 0.000 2.397 493 R HA 0.177 4.517 4.340 -0.000 0.000 0.241 493 R C 0.803 177.039 176.300 -0.106 0.000 0.914 493 R CA 0.354 56.441 56.100 -0.021 0.000 1.071 493 R CB 0.320 30.607 30.300 -0.021 0.000 1.116 493 R HN 0.321 nan 8.270 nan 0.000 0.524 494 E N -0.181 119.904 120.200 -0.192 0.000 3.249 494 E HA 0.022 4.372 4.350 -0.000 0.000 0.184 494 E C 1.200 177.635 176.600 -0.275 0.000 1.163 494 E CA -0.213 56.064 56.400 -0.206 0.000 1.353 494 E CB -0.060 29.533 29.700 -0.178 0.000 1.466 494 E HN -0.068 nan 8.360 nan 0.000 0.502 495 L N 1.968 122.998 121.223 -0.322 0.000 1.976 495 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 495 L C 2.072 178.683 176.870 -0.432 0.000 1.071 495 L CA 1.727 56.360 54.840 -0.344 0.000 0.746 495 L CB -0.524 41.316 42.059 -0.364 0.000 0.890 495 L HN 0.157 nan 8.230 nan 0.000 0.432 496 L N 0.033 120.927 121.223 -0.548 0.000 1.989 496 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 496 L C -0.157 176.199 176.870 -0.855 0.000 1.071 496 L CA 1.548 55.950 54.840 -0.729 0.000 0.749 496 L CB -2.252 39.361 42.059 -0.743 0.000 0.890 496 L HN 0.289 nan 8.230 nan 0.000 0.431 497 P HA -0.145 nan 4.420 nan 0.000 0.218 497 P C 1.768 178.758 177.300 -0.517 0.000 1.149 497 P CA 1.865 64.376 63.100 -0.982 0.000 0.817 497 P CB -0.094 31.238 31.700 -0.613 0.000 0.785 498 S N -1.451 114.016 115.700 -0.389 0.000 2.382 498 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 498 S C 2.191 176.638 174.600 -0.256 0.000 1.027 498 S CA 1.929 59.965 58.200 -0.275 0.000 0.991 498 S CB -1.910 61.156 63.200 -0.224 0.000 0.823 498 S HN 0.115 nan 8.310 nan 0.000 0.469 499 T N 1.079 115.466 114.554 -0.277 0.000 2.857 499 T HA 0.048 4.397 4.350 -0.000 0.000 0.266 499 T C 1.710 176.325 174.700 -0.142 0.000 1.048 499 T CA 1.268 63.282 62.100 -0.143 0.000 1.139 499 T CB -0.504 68.243 68.868 -0.202 0.000 0.874 499 T HN 0.291 nan 8.240 nan 0.000 0.455 500 V N 1.211 120.945 119.914 -0.300 0.000 2.358 500 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 500 V C 2.787 178.771 176.094 -0.183 0.000 1.047 500 V CA 1.667 63.801 62.300 -0.278 0.000 1.035 500 V CB -0.573 31.074 31.823 -0.294 0.000 0.658 500 V HN 0.336 nan 8.190 nan 0.000 0.452 501 K N -0.665 119.611 120.400 -0.206 0.000 2.097 501 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 501 K C 2.127 178.603 176.600 -0.207 0.000 1.049 501 K CA 1.636 57.821 56.287 -0.170 0.000 0.933 501 K CB -0.351 32.046 32.500 -0.172 0.000 0.717 501 K HN 0.786 nan 8.250 nan 0.000 0.442 502 E N -1.487 118.534 120.200 -0.298 0.000 2.076 502 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 502 E C 1.116 177.325 176.600 -0.651 0.000 0.979 502 E CA 1.221 57.303 56.400 -0.530 0.000 0.807 502 E CB 0.059 29.292 29.700 -0.778 0.000 0.761 502 E HN 0.513 nan 8.360 nan 0.000 0.454 503 F N -0.621 119.211 119.950 -0.198 0.000 2.706 503 F HA 0.261 4.788 4.527 -0.000 0.000 0.308 503 F C 0.348 175.980 175.800 -0.279 0.000 1.095 503 F CA -0.196 57.652 58.000 -0.252 0.000 1.244 503 F CB 1.113 39.942 39.000 -0.285 0.000 1.063 503 F HN -0.140 nan 8.300 nan 0.000 0.582 504 D N -0.883 119.489 120.400 -0.046 0.000 3.220 504 D HA 0.145 4.785 4.640 -0.000 0.000 0.309 504 D C 0.644 176.976 176.300 0.053 0.000 1.276 504 D CA 0.218 54.229 54.000 0.020 0.000 0.736 504 D CB 0.278 41.132 40.800 0.090 0.000 1.304 504 D HN -0.095 nan 8.370 nan 0.000 0.582 505 S N -0.544 115.175 115.700 0.033 0.000 2.474 505 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 505 S C 1.074 175.696 174.600 0.038 0.000 0.997 505 S CA 0.488 58.692 58.200 0.008 0.000 0.949 505 S CB 0.363 63.551 63.200 -0.020 0.000 0.766 505 S HN 0.312 nan 8.310 nan 0.000 0.517 506 D N 0.902 121.344 120.400 0.071 0.000 2.349 506 D HA 0.145 4.785 4.640 -0.000 0.000 0.214 506 D C 0.435 176.786 176.300 0.086 0.000 1.063 506 D CA 0.164 54.200 54.000 0.060 0.000 0.847 506 D CB 0.306 41.131 40.800 0.042 0.000 0.933 506 D HN 0.331 nan 8.370 nan 0.000 0.513 507 R N 0.372 120.952 120.500 0.135 0.000 2.532 507 R HA 0.304 4.644 4.340 -0.000 0.000 0.295 507 R C -0.362 176.079 176.300 0.236 0.000 0.968 507 R CA -0.877 55.339 56.100 0.193 0.000 0.916 507 R CB 1.596 32.067 30.300 0.284 0.000 1.124 507 R HN -0.105 nan 8.270 nan 0.000 0.463 508 F N 2.939 122.908 119.950 0.032 0.000 2.518 508 F HA 0.100 4.626 4.527 -0.000 0.000 0.359 508 F C -0.679 175.197 175.800 0.128 0.000 1.118 508 F CA -0.008 57.980 58.000 -0.021 0.000 1.287 508 F CB 0.313 39.179 39.000 -0.224 0.000 1.132 508 F HN 0.400 nan 8.300 nan 0.000 0.587 509 Y N 5.931 125.788 120.300 -0.739 0.000 2.462 509 Y HA 0.630 5.180 4.550 -0.000 0.000 0.346 509 Y C -1.822 173.449 175.900 -1.049 0.000 0.976 509 Y CA -1.058 56.695 58.100 -0.579 0.000 1.044 509 Y CB 1.592 39.939 38.460 -0.187 0.000 1.230 509 Y HN 0.570 nan 8.280 nan 0.000 0.455 510 V N 6.267 125.406 119.914 -1.292 0.000 2.735 510 V HA 0.259 4.378 4.120 -0.000 0.000 0.310 510 V C 0.076 175.556 176.094 -1.023 0.000 1.061 510 V CA -0.414 61.341 62.300 -0.909 0.000 0.913 510 V CB 1.555 33.140 31.823 -0.397 0.000 1.005 510 V HN 1.056 nan 8.190 nan 0.000 0.428 511 H N 3.140 121.954 119.070 -0.426 0.000 2.495 511 H HA 0.376 4.932 4.556 -0.000 0.000 0.287 511 H C 0.736 176.043 175.328 -0.033 0.000 1.033 511 H CA 1.011 56.985 56.048 -0.124 0.000 1.307 511 H CB 0.194 30.072 29.762 0.192 0.000 1.401 511 H HN 0.524 nan 8.280 nan 0.000 0.555 512 S N -1.118 114.319 115.700 -0.439 0.000 2.567 512 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 512 S C -1.596 172.993 174.600 -0.019 0.000 1.152 512 S CA -0.544 57.567 58.200 -0.149 0.000 0.835 512 S CB 1.672 64.844 63.200 -0.046 0.000 1.115 512 S HN 0.357 nan 8.310 nan 0.000 0.459 513 S N 2.966 118.740 115.700 0.123 0.000 2.605 513 S HA 0.715 5.185 4.470 -0.000 0.000 0.308 513 S C -2.935 171.571 174.600 -0.156 0.000 1.113 513 S CA -1.570 56.737 58.200 0.180 0.000 1.049 513 S CB 1.447 64.971 63.200 0.540 0.000 1.001 513 S HN 0.518 nan 8.310 nan 0.000 0.480 514 P HA 0.181 nan 4.420 nan 0.000 0.279 514 P C 0.080 177.312 177.300 -0.113 0.000 1.239 514 P CA -0.422 62.535 63.100 -0.238 0.000 0.789 514 P CB 0.405 31.945 31.700 -0.266 0.000 0.933 515 Y N 2.759 122.995 120.300 -0.106 0.000 2.395 515 Y HA 0.095 4.645 4.550 -0.000 0.000 0.293 515 Y C 1.232 177.150 175.900 0.029 0.000 1.123 515 Y CA 0.990 59.008 58.100 -0.136 0.000 1.227 515 Y CB -0.547 37.795 38.460 -0.196 0.000 1.012 515 Y HN 0.212 nan 8.280 nan 0.000 0.552 516 L N -0.124 120.944 121.223 -0.258 0.000 2.718 516 L HA 0.608 4.948 4.340 -0.000 0.000 0.247 516 L C 0.964 177.811 176.870 -0.039 0.000 1.028 516 L CA 0.489 55.300 54.840 -0.049 0.000 1.031 516 L CB -0.551 41.511 42.059 0.005 0.000 1.910 516 L HN 0.106 nan 8.230 nan 0.000 0.526 517 A N 1.432 124.174 122.820 -0.131 0.000 2.498 517 A HA 0.344 4.664 4.320 -0.000 0.000 0.239 517 A C -0.061 177.554 177.584 0.052 0.000 1.068 517 A CA 0.205 52.254 52.037 0.020 0.000 0.766 517 A CB -0.310 18.726 19.000 0.059 0.000 1.003 517 A HN 0.481 nan 8.150 nan 0.000 0.497 518 N N 2.305 121.045 118.700 0.067 0.000 2.249 518 N HA 0.154 4.894 4.740 -0.000 0.000 0.296 518 N C 0.822 176.447 175.510 0.191 0.000 1.051 518 N CA -0.661 52.360 53.050 -0.048 0.000 0.815 518 N CB 1.007 39.102 38.487 -0.654 0.000 1.487 518 N HN 0.871 nan 8.380 nan 0.000 0.475 519 W N 3.073 124.503 121.300 0.218 0.000 2.421 519 W HA 0.094 4.754 4.660 -0.000 0.000 0.270 519 W C 0.602 177.396 176.519 0.457 0.000 1.233 519 W CA 0.949 58.489 57.345 0.325 0.000 1.226 519 W CB -0.602 29.002 29.460 0.240 0.000 1.121 519 W HN 0.570 nan 8.180 nan 0.000 0.579 520 G N 1.419 110.018 108.800 -0.334 0.000 3.042 520 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.212 520 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.212 520 G C 0.638 175.426 174.900 -0.187 0.000 1.166 520 G CA -0.330 44.534 45.100 -0.393 0.000 0.767 520 G HN -0.088 nan 8.290 nan 0.000 0.546 521 R N 0.410 120.831 120.500 -0.133 0.000 2.396 521 R HA 0.281 4.621 4.340 -0.000 0.000 0.292 521 R C -2.253 173.706 176.300 -0.568 0.000 1.240 521 R CA -2.370 53.579 56.100 -0.252 0.000 1.270 521 R CB 1.378 31.541 30.300 -0.228 0.000 1.108 521 R HN 0.015 nan 8.270 nan 0.000 0.573 522 P HA -0.166 nan 4.420 nan 0.000 0.220 522 P C 1.136 177.800 177.300 -1.060 0.000 1.148 522 P CA 0.927 62.908 63.100 -1.864 0.000 0.803 522 P CB 0.392 31.360 31.700 -1.220 0.000 0.782 523 E N 0.304 120.187 120.200 -0.529 0.000 2.409 523 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 523 E C 1.319 177.822 176.600 -0.162 0.000 1.024 523 E CA 1.527 57.770 56.400 -0.262 0.000 0.861 523 E CB -0.796 28.813 29.700 -0.152 0.000 0.788 523 E HN 0.336 nan 8.360 nan 0.000 0.521 524 S N -1.051 114.526 115.700 -0.205 0.000 2.517 524 S HA 0.041 4.511 4.470 -0.000 0.000 0.214 524 S C 1.270 175.962 174.600 0.155 0.000 0.991 524 S CA -0.500 57.694 58.200 -0.010 0.000 0.906 524 S CB -0.573 62.634 63.200 0.011 0.000 0.789 524 S HN 0.229 nan 8.310 nan 0.000 0.513 525 W N 2.519 123.852 121.300 0.055 0.000 2.421 525 W HA 0.303 4.963 4.660 -0.000 0.000 0.270 525 W C 2.190 178.774 176.519 0.108 0.000 1.233 525 W CA 0.258 57.653 57.345 0.083 0.000 1.226 525 W CB -1.361 28.173 29.460 0.123 0.000 1.121 525 W HN 0.524 nan 8.180 nan 0.000 0.579 526 G N -0.674 108.319 108.800 0.321 0.000 2.848 526 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.208 526 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.208 526 G C 0.102 175.068 174.900 0.110 0.000 1.152 526 G CA 0.320 45.556 45.100 0.226 0.000 0.789 526 G HN 0.044 nan 8.290 nan 0.000 0.531 527 T N 1.073 115.684 114.554 0.096 0.000 2.947 527 T HA 0.572 4.922 4.350 -0.000 0.000 0.337 527 T C 0.789 175.417 174.700 -0.119 0.000 1.139 527 T CA 0.256 62.385 62.100 0.049 0.000 0.992 527 T CB 1.059 69.961 68.868 0.056 0.000 1.043 527 T HN 0.819 nan 8.240 nan 0.000 0.498 528 G N 4.181 112.973 108.800 -0.013 0.000 2.562 528 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.250 528 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.250 528 G C -0.608 174.155 174.900 -0.228 0.000 1.269 528 G CA -0.143 44.876 45.100 -0.135 0.000 0.919 528 G HN 0.841 nan 8.290 nan 0.000 0.574 529 D N -0.031 120.072 120.400 -0.495 0.000 2.283 529 D HA 0.599 5.239 4.640 -0.000 0.000 0.248 529 D C -0.133 176.113 176.300 -0.089 0.000 1.072 529 D CA 0.090 53.937 54.000 -0.255 0.000 0.929 529 D CB 1.503 42.069 40.800 -0.391 0.000 1.182 529 D HN 0.483 nan 8.370 nan 0.000 0.433 530 S N -0.343 115.393 115.700 0.061 0.000 2.503 530 S HA 0.262 4.731 4.470 -0.000 0.000 0.301 530 S C -0.612 174.154 174.600 0.276 0.000 1.087 530 S CA -0.725 57.536 58.200 0.101 0.000 1.042 530 S CB 0.956 64.149 63.200 -0.011 0.000 1.043 530 S HN 0.392 nan 8.310 nan 0.000 0.489 531 H N 2.496 121.626 119.070 0.101 0.000 2.741 531 H HA 0.199 4.755 4.556 -0.000 0.000 0.261 531 H C -0.217 175.131 175.328 0.033 0.000 1.365 531 H CA -0.601 55.508 56.048 0.101 0.000 1.266 531 H CB 0.269 30.256 29.762 0.376 0.000 1.485 531 H HN 0.334 nan 8.280 nan 0.000 0.529 532 N N 3.008 121.657 118.700 -0.085 0.000 2.549 532 N HA -0.059 4.681 4.740 -0.000 0.000 0.267 532 N C -0.285 175.034 175.510 -0.318 0.000 1.182 532 N CA -0.217 52.758 53.050 -0.125 0.000 1.019 532 N CB -0.065 38.288 38.487 -0.224 0.000 1.380 532 N HN 0.575 nan 8.380 nan 0.000 0.505 533 W N 1.630 122.825 121.300 -0.175 0.000 3.400 533 W HA 0.332 4.992 4.660 -0.000 0.000 0.347 533 W C 1.872 177.762 176.519 -1.050 0.000 1.218 533 W CA -0.668 56.392 57.345 -0.476 0.000 1.837 533 W CB 0.380 29.653 29.460 -0.311 0.000 1.067 533 W HN 0.566 nan 8.180 nan 0.000 0.701 534 G N 0.378 108.843 108.800 -0.559 0.000 2.418 534 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 534 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 534 G C 0.635 175.480 174.900 -0.092 0.000 1.158 534 G CA 0.473 45.384 45.100 -0.315 0.000 0.771 534 G HN -0.025 nan 8.290 nan 0.000 0.545 535 V N 0.807 120.739 119.914 0.030 0.000 2.614 535 V HA 0.267 4.387 4.120 -0.000 0.000 0.291 535 V C 0.811 177.104 176.094 0.332 0.000 1.049 535 V CA -0.111 62.298 62.300 0.181 0.000 1.038 535 V CB 0.512 32.459 31.823 0.206 0.000 0.980 535 V HN 0.611 nan 8.190 nan 0.000 0.481 536 W N 3.623 124.993 121.300 0.117 0.000 1.636 536 W HA -0.396 4.264 4.660 0.000 0.000 0.269 536 W C 1.331 177.814 176.519 -0.060 0.000 1.819 536 W CA 1.697 59.025 57.345 -0.029 0.000 2.155 536 W CB -1.384 28.091 29.460 0.025 0.000 1.018 536 W HN 0.569 nan 8.180 nan 0.000 0.439 537 Y N 1.253 121.608 120.300 0.091 0.000 2.224 537 Y HA 0.018 4.568 4.550 -0.000 0.000 0.289 537 Y C 2.658 178.471 175.900 -0.146 0.000 1.146 537 Y CA 2.650 60.675 58.100 -0.126 0.000 1.182 537 Y CB -1.393 37.024 38.460 -0.073 0.000 0.983 537 Y HN 0.282 nan 8.280 nan 0.000 0.524 538 G N -0.860 107.823 108.800 -0.195 0.000 2.985 538 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 538 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 538 G C 0.730 175.687 174.900 0.096 0.000 1.165 538 G CA 0.104 45.209 45.100 0.008 0.000 0.776 538 G HN 0.334 nan 8.290 nan 0.000 0.541 539 K N -0.673 119.768 120.400 0.069 0.000 3.193 539 K HA -0.204 4.116 4.320 -0.000 0.000 0.294 539 K C 0.183 176.765 176.600 -0.030 0.000 1.185 539 K CA 0.842 57.160 56.287 0.052 0.000 0.866 539 K CB -1.100 31.377 32.500 -0.038 0.000 1.227 539 K HN 0.419 nan 8.250 nan 0.000 0.467 540 K N 1.611 122.052 120.400 0.067 0.000 2.382 540 K HA 0.083 4.403 4.320 -0.000 0.000 0.275 540 K C -2.028 174.546 176.600 -0.043 0.000 1.009 540 K CA -1.226 55.079 56.287 0.030 0.000 0.970 540 K CB 0.193 32.750 32.500 0.094 0.000 0.934 540 K HN -0.041 nan 8.250 nan 0.000 0.479 541 P HA -0.042 nan 4.420 nan 0.000 0.272 541 P C 0.156 177.455 177.300 -0.001 0.000 1.230 541 P CA -0.041 62.983 63.100 -0.127 0.000 0.788 541 P CB 0.367 32.020 31.700 -0.079 0.000 0.949 542 F N 0.356 120.380 119.950 0.122 0.000 2.250 542 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 542 F C 2.185 178.041 175.800 0.093 0.000 1.077 542 F CA 1.634 59.689 58.000 0.091 0.000 1.348 542 F CB -1.130 37.863 39.000 -0.011 0.000 1.040 542 F HN 0.305 nan 8.300 nan 0.000 0.509 543 E N -0.010 120.301 120.200 0.185 0.000 2.209 543 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 543 E C 2.331 179.027 176.600 0.161 0.000 0.993 543 E CA 1.342 57.835 56.400 0.155 0.000 0.819 543 E CB -0.673 29.067 29.700 0.066 0.000 0.745 543 E HN 0.392 nan 8.360 nan 0.000 0.477 544 S N 0.320 116.096 115.700 0.127 0.000 2.440 544 S HA -0.163 4.307 4.470 -0.000 0.000 0.238 544 S C 1.859 176.507 174.600 0.081 0.000 1.010 544 S CA 0.822 59.084 58.200 0.104 0.000 0.972 544 S CB -0.463 62.795 63.200 0.097 0.000 0.774 544 S HN 0.260 nan 8.310 nan 0.000 0.501 545 L N 1.252 122.536 121.223 0.101 0.000 2.275 545 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 545 L C 2.029 178.884 176.870 -0.025 0.000 1.119 545 L CA 1.029 55.881 54.840 0.020 0.000 0.790 545 L CB -0.604 41.455 42.059 0.000 0.000 0.919 545 L HN 0.271 nan 8.230 nan 0.000 0.443 546 D N -0.473 119.941 120.400 0.023 0.000 2.219 546 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 546 D C 2.123 178.426 176.300 0.005 0.000 0.970 546 D CA 1.983 55.975 54.000 -0.012 0.000 0.851 546 D CB 0.107 40.936 40.800 0.050 0.000 0.943 546 D HN 0.443 nan 8.370 nan 0.000 0.488 547 T N -2.504 112.076 114.554 0.042 0.000 3.018 547 T HA 0.020 4.370 4.350 -0.000 0.000 0.246 547 T C 0.534 175.294 174.700 0.100 0.000 1.026 547 T CA -0.217 61.924 62.100 0.068 0.000 1.081 547 T CB 0.256 69.184 68.868 0.100 0.000 0.970 547 T HN -0.250 nan 8.240 nan 0.000 0.475 548 D N 2.308 122.737 120.400 0.048 0.000 2.639 548 D HA 0.425 5.065 4.640 -0.000 0.000 0.233 548 D C -0.587 175.611 176.300 -0.170 0.000 1.161 548 D CA -0.154 53.799 54.000 -0.079 0.000 1.003 548 D CB 0.213 40.802 40.800 -0.351 0.000 1.034 548 D HN 0.434 nan 8.370 nan 0.000 0.514 549 L N 2.726 123.968 121.223 0.032 0.000 2.326 549 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 549 L C -1.910 175.080 176.870 0.201 0.000 1.092 549 L CA -1.404 53.490 54.840 0.089 0.000 0.810 549 L CB 1.229 43.346 42.059 0.096 0.000 1.153 549 L HN 0.059 nan 8.230 nan 0.000 0.439 550 P HA 0.390 nan 4.420 nan 0.000 0.288 550 P C -0.420 176.963 177.300 0.137 0.000 1.297 550 P CA -0.764 62.401 63.100 0.107 0.000 0.864 550 P CB 1.611 33.255 31.700 -0.092 0.000 1.237 551 R N -0.329 120.202 120.500 0.052 0.000 2.153 551 R HA 0.221 4.561 4.340 -0.000 0.000 0.218 551 R C 0.239 176.663 176.300 0.206 0.000 1.072 551 R CA 0.715 56.818 56.100 0.006 0.000 0.990 551 R CB -0.881 29.436 30.300 0.028 0.000 0.889 551 R HN 0.586 nan 8.270 nan 0.000 0.452 552 F N -0.435 119.514 119.950 -0.001 0.000 2.651 552 F HA 0.266 4.793 4.527 -0.000 0.000 0.327 552 F C -1.334 174.419 175.800 -0.077 0.000 1.133 552 F CA -1.154 56.854 58.000 0.013 0.000 1.076 552 F CB 1.186 40.326 39.000 0.232 0.000 1.315 552 F HN -0.243 nan 8.300 nan 0.000 0.499 553 M N 5.235 124.643 119.600 -0.321 0.000 2.151 553 M HA 0.251 4.731 4.480 -0.000 0.000 0.349 553 M C 0.500 176.801 176.300 0.003 0.000 1.284 553 M CA 0.228 55.389 55.300 -0.232 0.000 1.173 553 M CB 0.733 32.968 32.600 -0.607 0.000 1.469 553 M HN 0.540 nan 8.290 nan 0.000 0.439 554 S N 2.457 118.299 115.700 0.237 0.000 2.528 554 S HA 0.250 4.720 4.470 -0.000 0.000 0.219 554 S C 0.045 174.583 174.600 -0.103 0.000 0.985 554 S CA 0.014 58.308 58.200 0.157 0.000 0.914 554 S CB -0.132 63.164 63.200 0.160 0.000 0.776 554 S HN 0.736 nan 8.310 nan 0.000 0.526 555 E N -0.002 120.127 120.200 -0.117 0.000 2.354 555 E HA 0.571 4.921 4.350 -0.000 0.000 0.283 555 E C -1.591 174.921 176.600 -0.148 0.000 0.938 555 E CA -0.782 55.521 56.400 -0.161 0.000 0.777 555 E CB 2.297 31.759 29.700 -0.397 0.000 1.222 555 E HN 0.447 nan 8.360 nan 0.000 0.423 556 F N -0.671 119.011 119.950 -0.447 0.000 2.703 556 F HA 0.837 5.363 4.527 -0.000 0.000 0.308 556 F C -0.629 174.876 175.800 -0.492 0.000 1.126 556 F CA -0.599 56.938 58.000 -0.770 0.000 0.959 556 F CB 1.677 40.460 39.000 -0.362 0.000 1.297 556 F HN 0.587 nan 8.300 nan 0.000 0.441 557 G N 0.883 109.220 108.800 -0.771 0.000 2.495 557 G HA2 0.593 4.553 3.960 -0.000 0.000 0.294 557 G HA3 0.593 4.553 3.960 -0.000 0.000 0.294 557 G C -2.776 172.302 174.900 0.297 0.000 1.397 557 G CA -0.882 44.097 45.100 -0.201 0.000 0.790 557 G HN 1.085 nan 8.290 nan 0.000 0.486 558 F N 0.044 120.079 119.950 0.143 0.000 2.635 558 F HA 0.522 5.049 4.527 -0.000 0.000 0.314 558 F C -0.263 175.246 175.800 -0.486 0.000 1.119 558 F CA -0.649 57.291 58.000 -0.100 0.000 1.000 558 F CB 2.077 41.100 39.000 0.039 0.000 1.278 558 F HN 0.530 nan 8.300 nan 0.000 0.446 559 Q N 2.558 121.303 119.800 -1.758 0.000 2.306 559 Q HA 0.614 4.954 4.340 -0.000 0.000 0.241 559 Q C -0.885 174.730 176.000 -0.642 0.000 0.948 559 Q CA -0.304 54.614 55.803 -1.475 0.000 0.886 559 Q CB 1.712 29.285 28.738 -1.941 0.000 1.227 559 Q HN 0.712 nan 8.270 nan 0.000 0.457 560 S N 0.663 116.097 115.700 -0.444 0.000 2.536 560 S HA 0.494 4.964 4.470 -0.000 0.000 0.271 560 S C -0.878 173.641 174.600 -0.135 0.000 1.134 560 S CA -0.856 57.233 58.200 -0.186 0.000 0.897 560 S CB 0.578 63.670 63.200 -0.181 0.000 1.094 560 S HN 0.360 nan 8.310 nan 0.000 0.473 561 F N 3.292 123.137 119.950 -0.177 0.000 2.563 561 F HA 0.339 4.866 4.527 -0.000 0.000 0.363 561 F C -1.378 174.351 175.800 -0.118 0.000 1.123 561 F CA -1.014 56.925 58.000 -0.100 0.000 1.307 561 F CB 0.198 39.165 39.000 -0.054 0.000 1.115 561 F HN 0.436 nan 8.300 nan 0.000 0.592 562 P HA 0.083 nan 4.420 nan 0.000 0.274 562 P C -0.790 176.568 177.300 0.096 0.000 1.256 562 P CA -0.574 62.559 63.100 0.054 0.000 0.795 562 P CB 0.554 32.302 31.700 0.079 0.000 1.038 563 E N 0.465 120.723 120.200 0.097 0.000 2.425 563 E HA 0.010 4.360 4.350 -0.000 0.000 0.258 563 E C 1.063 177.730 176.600 0.113 0.000 1.151 563 E CA -0.559 55.920 56.400 0.132 0.000 0.958 563 E CB 0.080 29.930 29.700 0.249 0.000 0.968 563 E HN 0.156 nan 8.360 nan 0.000 0.451 564 M N 1.356 121.011 119.600 0.092 0.000 2.149 564 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 564 M C 2.034 178.325 176.300 -0.014 0.000 1.064 564 M CA 2.108 57.403 55.300 -0.008 0.000 1.102 564 M CB -1.295 31.292 32.600 -0.022 0.000 1.369 564 M HN 0.705 nan 8.290 nan 0.000 0.408 565 K N -1.244 119.182 120.400 0.044 0.000 2.209 565 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 565 K C 1.656 178.263 176.600 0.010 0.000 1.048 565 K CA 1.719 58.019 56.287 0.022 0.000 0.940 565 K CB -0.677 31.840 32.500 0.027 0.000 0.729 565 K HN 0.177 nan 8.250 nan 0.000 0.451 566 T N 1.934 116.539 114.554 0.084 0.000 2.809 566 T HA 0.061 4.411 4.350 -0.000 0.000 0.260 566 T C 1.940 176.680 174.700 0.067 0.000 1.039 566 T CA 1.053 63.273 62.100 0.199 0.000 1.141 566 T CB -0.171 68.892 68.868 0.325 0.000 0.869 566 T HN 0.163 nan 8.240 nan 0.000 0.437 567 I N 1.746 122.245 120.570 -0.117 0.000 2.194 567 I HA -0.233 3.937 4.170 -0.000 0.000 0.246 567 I C 2.918 178.647 176.117 -0.648 0.000 1.093 567 I CA 1.288 62.207 61.300 -0.636 0.000 1.355 567 I CB -0.537 37.263 38.000 -0.333 0.000 1.046 567 I HN 0.192 nan 8.210 nan 0.000 0.413 568 A N 0.691 123.378 122.820 -0.221 0.000 2.019 568 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 568 A C 2.486 180.088 177.584 0.029 0.000 1.164 568 A CA 1.666 53.704 52.037 0.002 0.000 0.644 568 A CB -0.633 18.415 19.000 0.080 0.000 0.805 568 A HN 0.464 nan 8.150 nan 0.000 0.449 569 A N -0.748 122.086 122.820 0.023 0.000 2.066 569 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 569 A C 1.703 179.506 177.584 0.365 0.000 1.157 569 A CA 1.358 53.520 52.037 0.208 0.000 0.670 569 A CB -0.597 18.552 19.000 0.249 0.000 0.804 569 A HN 1.092 nan 8.150 nan 0.000 0.453 570 F N -3.348 116.644 119.950 0.069 0.000 2.746 570 F HA 0.743 5.270 4.527 -0.000 0.000 0.313 570 F C 0.419 175.852 175.800 -0.611 0.000 1.095 570 F CA -0.245 57.596 58.000 -0.265 0.000 1.224 570 F CB 0.101 38.816 39.000 -0.475 0.000 1.060 570 F HN 0.162 nan 8.300 nan 0.000 0.584 571 A N 1.329 123.829 122.820 -0.533 0.000 2.414 571 A HA 0.849 5.169 4.320 -0.000 0.000 0.306 571 A C -0.477 177.082 177.584 -0.041 0.000 1.054 571 A CA -0.460 51.395 52.037 -0.303 0.000 0.724 571 A CB 0.796 19.636 19.000 -0.267 0.000 1.267 571 A HN 0.504 nan 8.150 nan 0.000 0.418 572 A N 2.390 125.184 122.820 -0.043 0.000 2.304 572 A HA 0.673 4.993 4.320 -0.000 0.000 0.271 572 A C -1.743 175.554 177.584 -0.479 0.000 1.091 572 A CA -1.473 50.505 52.037 -0.097 0.000 0.812 572 A CB -0.096 18.901 19.000 -0.005 0.000 1.056 572 A HN 0.513 nan 8.150 nan 0.000 0.489 573 P HA -0.136 nan 4.420 nan 0.000 0.219 573 P C 0.564 177.401 177.300 -0.772 0.000 1.146 573 P CA 1.395 63.701 63.100 -1.322 0.000 0.808 573 P CB 0.116 31.418 31.700 -0.663 0.000 0.779 574 E N -0.632 119.331 120.200 -0.396 0.000 2.333 574 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 574 E C 0.822 177.306 176.600 -0.193 0.000 1.007 574 E CA 0.929 57.195 56.400 -0.223 0.000 0.845 574 E CB -0.625 28.997 29.700 -0.129 0.000 0.766 574 E HN 0.353 nan 8.360 nan 0.000 0.507 575 D N -0.599 119.661 120.400 -0.233 0.000 2.440 575 D HA -0.005 4.634 4.640 -0.000 0.000 0.216 575 D C -0.377 175.843 176.300 -0.133 0.000 1.150 575 D CA -0.104 53.819 54.000 -0.129 0.000 0.832 575 D CB 0.220 40.981 40.800 -0.065 0.000 0.992 575 D HN 0.169 nan 8.370 nan 0.000 0.502 576 Y N 1.992 122.052 120.300 -0.401 0.000 2.889 576 Y HA 0.264 4.814 4.550 -0.000 0.000 0.367 576 Y C 0.362 175.669 175.900 -0.989 0.000 1.197 576 Y CA -0.275 57.318 58.100 -0.845 0.000 1.993 576 Y CB -0.937 37.194 38.460 -0.548 0.000 2.112 576 Y HN -0.094 nan 8.280 nan 0.000 0.413 577 Q N -0.743 118.697 119.800 -0.600 0.000 2.423 577 Q HA 0.433 4.773 4.340 -0.000 0.000 0.278 577 Q C 1.046 176.971 176.000 -0.125 0.000 1.097 577 Q CA -0.726 54.891 55.803 -0.310 0.000 0.809 577 Q CB 1.883 30.558 28.738 -0.105 0.000 1.391 577 Q HN 0.311 nan 8.270 nan 0.000 0.428 578 I N 0.556 121.202 120.570 0.127 0.000 2.248 578 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 578 I C 0.722 176.959 176.117 0.200 0.000 1.107 578 I CA 1.347 62.771 61.300 0.206 0.000 1.373 578 I CB 0.151 38.090 38.000 -0.101 0.000 1.055 578 I HN 0.609 nan 8.210 nan 0.000 0.418 579 E N 0.896 121.147 120.200 0.085 0.000 2.585 579 E HA 0.136 4.486 4.350 -0.000 0.000 0.206 579 E C 0.419 177.052 176.600 0.055 0.000 1.007 579 E CA -0.040 56.407 56.400 0.079 0.000 1.028 579 E CB 0.249 29.976 29.700 0.044 0.000 1.087 579 E HN 0.385 nan 8.360 nan 0.000 0.455 580 S N -0.059 115.668 115.700 0.046 0.000 2.587 580 S HA 0.037 4.507 4.470 -0.000 0.000 0.260 580 S C 1.275 175.915 174.600 0.066 0.000 1.353 580 S CA -0.329 57.890 58.200 0.032 0.000 0.995 580 S CB 1.840 65.040 63.200 0.000 0.000 0.912 580 S HN 0.235 nan 8.310 nan 0.000 0.568 581 E N 0.119 120.353 120.200 0.058 0.000 2.077 581 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 581 E C 1.758 178.424 176.600 0.110 0.000 0.989 581 E CA 1.298 57.741 56.400 0.072 0.000 0.800 581 E CB -0.240 29.497 29.700 0.060 0.000 0.746 581 E HN 0.559 nan 8.360 nan 0.000 0.452 582 V N 0.737 120.724 119.914 0.121 0.000 2.407 582 V HA -0.258 3.861 4.120 -0.000 0.000 0.248 582 V C 2.353 178.620 176.094 0.288 0.000 1.055 582 V CA 1.737 64.149 62.300 0.188 0.000 1.049 582 V CB -0.354 31.541 31.823 0.119 0.000 0.662 582 V HN 0.373 nan 8.190 nan 0.000 0.455 583 M N 0.453 120.195 119.600 0.236 0.000 2.175 583 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 583 M C 1.816 178.244 176.300 0.214 0.000 1.063 583 M CA 1.616 57.096 55.300 0.300 0.000 1.119 583 M CB -0.734 32.044 32.600 0.298 0.000 1.377 583 M HN 0.290 nan 8.290 nan 0.000 0.415 584 N N 0.265 119.060 118.700 0.159 0.000 2.188 584 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 584 N C 1.577 177.133 175.510 0.077 0.000 1.018 584 N CA 1.526 54.638 53.050 0.102 0.000 0.858 584 N CB -0.562 37.974 38.487 0.080 0.000 0.989 584 N HN 0.454 nan 8.380 nan 0.000 0.426 585 A N -0.103 122.785 122.820 0.115 0.000 2.070 585 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 585 A C 0.710 178.219 177.584 -0.124 0.000 1.159 585 A CA 1.323 53.393 52.037 0.055 0.000 0.656 585 A CB -0.486 18.585 19.000 0.120 0.000 0.800 585 A HN 0.380 nan 8.150 nan 0.000 0.453 586 H N -2.118 116.854 119.070 -0.164 0.000 2.475 586 H HA 0.403 4.959 4.556 -0.000 0.000 0.276 586 H C -0.304 174.790 175.328 -0.390 0.000 1.126 586 H CA 0.116 55.870 56.048 -0.489 0.000 1.023 586 H CB 0.433 29.502 29.762 -1.156 0.000 1.669 586 H HN 0.430 nan 8.280 nan 0.000 0.573 587 Q N 1.158 120.890 119.800 -0.113 0.000 2.414 587 Q HA 0.247 4.587 4.340 -0.000 0.000 0.256 587 Q C -0.373 175.616 176.000 -0.018 0.000 0.974 587 Q CA -0.579 55.151 55.803 -0.122 0.000 0.723 587 Q CB 0.665 29.338 28.738 -0.108 0.000 1.281 587 Q HN -0.104 nan 8.270 nan 0.000 0.470 588 K N 1.273 121.694 120.400 0.034 0.000 2.374 588 K HA 0.189 4.509 4.320 -0.000 0.000 0.196 588 K C -0.124 176.548 176.600 0.119 0.000 1.023 588 K CA 0.014 56.360 56.287 0.099 0.000 1.103 588 K CB 0.757 33.381 32.500 0.207 0.000 0.848 588 K HN 0.433 nan 8.250 nan 0.000 0.528 589 S N 1.239 117.005 115.700 0.111 0.000 2.422 589 S HA 0.134 4.604 4.470 -0.000 0.000 0.308 589 S C 1.108 175.781 174.600 0.122 0.000 1.097 589 S CA -0.495 57.821 58.200 0.193 0.000 1.099 589 S CB 0.885 64.236 63.200 0.250 0.000 0.976 589 S HN 0.274 nan 8.310 nan 0.000 0.471 590 S N 5.135 120.896 115.700 0.102 0.000 2.481 590 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 590 S C 1.550 176.183 174.600 0.054 0.000 0.996 590 S CA 0.327 58.560 58.200 0.056 0.000 0.942 590 S CB -0.459 62.757 63.200 0.026 0.000 0.768 590 S HN 0.862 nan 8.310 nan 0.000 0.520 591 I N -0.456 120.157 120.570 0.072 0.000 3.968 591 I HA 0.399 4.569 4.170 -0.000 0.000 0.328 591 I C 1.952 178.041 176.117 -0.047 0.000 1.290 591 I CA 0.578 61.878 61.300 -0.001 0.000 1.163 591 I CB -1.842 36.133 38.000 -0.043 0.000 1.024 591 I HN 0.261 nan 8.210 nan 0.000 0.413 592 G N 2.725 111.573 108.800 0.080 0.000 2.459 592 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 592 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 592 G C 1.337 176.329 174.900 0.152 0.000 1.183 592 G CA 0.969 46.180 45.100 0.185 0.000 0.776 592 G HN 0.380 nan 8.290 nan 0.000 0.552 593 N N 0.689 119.487 118.700 0.164 0.000 2.104 593 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 593 N C 2.436 178.043 175.510 0.162 0.000 1.024 593 N CA 1.473 54.664 53.050 0.235 0.000 0.853 593 N CB -0.613 38.000 38.487 0.209 0.000 1.008 593 N HN 0.350 nan 8.380 nan 0.000 0.424 594 S N 0.660 116.404 115.700 0.074 0.000 2.368 594 S HA 0.017 4.487 4.470 -0.000 0.000 0.225 594 S C 1.999 176.617 174.600 0.030 0.000 1.030 594 S CA 0.541 58.765 58.200 0.040 0.000 0.999 594 S CB -0.259 62.942 63.200 0.002 0.000 0.844 594 S HN 0.236 nan 8.310 nan 0.000 0.459 595 L N 0.655 121.830 121.223 -0.080 0.000 2.046 595 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 595 L C 2.451 179.401 176.870 0.132 0.000 1.077 595 L CA 1.334 56.075 54.840 -0.165 0.000 0.747 595 L CB -0.475 41.047 42.059 -0.894 0.000 0.896 595 L HN 0.389 nan 8.230 nan 0.000 0.432 596 I N -0.659 120.024 120.570 0.188 0.000 2.179 596 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 596 I C 2.816 179.163 176.117 0.383 0.000 1.088 596 I CA 1.244 62.763 61.300 0.365 0.000 1.357 596 I CB -0.358 37.859 38.000 0.362 0.000 1.051 596 I HN 0.234 nan 8.210 nan 0.000 0.409 597 R N 0.467 121.180 120.500 0.354 0.000 2.081 597 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 597 R C 2.306 178.740 176.300 0.223 0.000 1.131 597 R CA 2.074 58.366 56.100 0.321 0.000 0.960 597 R CB -0.293 30.151 30.300 0.240 0.000 0.856 597 R HN 0.271 nan 8.270 nan 0.000 0.436 598 T N 0.032 114.696 114.554 0.184 0.000 2.652 598 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 598 T C 1.442 176.202 174.700 0.100 0.000 1.039 598 T CA 1.719 63.878 62.100 0.098 0.000 1.153 598 T CB -0.408 68.477 68.868 0.028 0.000 0.863 598 T HN 0.318 nan 8.240 nan 0.000 0.428 599 Y N 0.573 120.945 120.300 0.121 0.000 2.242 599 Y HA 0.020 4.570 4.550 0.000 0.000 0.291 599 Y C 2.544 178.529 175.900 0.140 0.000 1.137 599 Y CA 0.972 59.148 58.100 0.126 0.000 1.181 599 Y CB -0.396 38.221 38.460 0.262 0.000 0.989 599 Y HN 0.135 nan 8.280 nan 0.000 0.527 600 M N -0.071 119.723 119.600 0.325 0.000 2.080 600 M HA -0.261 4.219 4.480 -0.000 0.000 0.260 600 M C 2.348 178.766 176.300 0.196 0.000 1.068 600 M CA 1.867 57.307 55.300 0.234 0.000 1.109 600 M CB -0.196 32.465 32.600 0.101 0.000 1.342 600 M HN 0.183 nan 8.290 nan 0.000 0.405 601 E N 0.621 120.900 120.200 0.130 0.000 2.160 601 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 601 E C 1.798 178.404 176.600 0.009 0.000 0.991 601 E CA 1.429 57.866 56.400 0.061 0.000 0.810 601 E CB -0.129 29.596 29.700 0.042 0.000 0.742 601 E HN 0.586 nan 8.360 nan 0.000 0.466 602 R N -0.066 120.436 120.500 0.004 0.000 2.115 602 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 602 R C 1.447 177.694 176.300 -0.089 0.000 1.111 602 R CA 1.457 57.529 56.100 -0.047 0.000 0.976 602 R CB 0.095 30.354 30.300 -0.068 0.000 0.870 602 R HN 0.171 nan 8.270 nan 0.000 0.445 603 D N -2.285 118.048 120.400 -0.111 0.000 2.480 603 D HA 0.095 4.734 4.640 -0.000 0.000 0.243 603 D C -0.568 175.285 176.300 -0.744 0.000 1.120 603 D CA 0.399 54.162 54.000 -0.395 0.000 0.835 603 D CB 0.858 41.394 40.800 -0.441 0.000 1.204 603 D HN 0.013 nan 8.370 nan 0.000 0.513 604 Y N 0.241 120.485 120.300 -0.093 0.000 2.553 604 Y HA 0.421 4.971 4.550 -0.000 0.000 0.347 604 Y C 0.103 175.938 175.900 -0.110 0.000 1.019 604 Y CA -0.948 57.083 58.100 -0.116 0.000 1.032 604 Y CB 1.642 40.022 38.460 -0.133 0.000 1.284 604 Y HN -0.313 nan 8.280 nan 0.000 0.466 605 I N 3.648 124.219 120.570 0.001 0.000 2.533 605 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 605 I C -0.162 175.990 176.117 0.059 0.000 1.109 605 I CA 0.158 61.421 61.300 -0.061 0.000 1.412 605 I CB 0.261 38.073 38.000 -0.313 0.000 1.396 605 I HN 0.388 nan 8.210 nan 0.000 0.543 606 I N 9.000 129.614 120.570 0.074 0.000 2.587 606 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 606 I C -1.876 174.325 176.117 0.140 0.000 1.134 606 I CA -1.363 60.011 61.300 0.124 0.000 1.410 606 I CB -0.067 38.023 38.000 0.150 0.000 1.392 606 I HN 0.320 nan 8.210 nan 0.000 0.545 607 P HA 0.099 nan 4.420 nan 0.000 0.274 607 P C 0.358 177.743 177.300 0.142 0.000 1.231 607 P CA -0.361 62.832 63.100 0.155 0.000 0.790 607 P CB 0.754 32.533 31.700 0.132 0.000 0.951 608 E N 0.006 120.275 120.200 0.115 0.000 2.072 608 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 608 E C 0.727 177.378 176.600 0.085 0.000 0.982 608 E CA 1.017 57.471 56.400 0.089 0.000 0.803 608 E CB -0.509 29.241 29.700 0.082 0.000 0.755 608 E HN 0.572 nan 8.360 nan 0.000 0.453 609 S N -0.080 115.679 115.700 0.097 0.000 2.601 609 S HA 0.139 4.609 4.470 -0.000 0.000 0.271 609 S C 0.918 175.604 174.600 0.143 0.000 1.305 609 S CA -0.756 57.514 58.200 0.116 0.000 1.022 609 S CB 0.994 64.257 63.200 0.105 0.000 0.940 609 S HN 0.091 nan 8.310 nan 0.000 0.525 610 F N 2.169 122.129 119.950 0.017 0.000 2.065 610 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 610 F C 2.085 177.900 175.800 0.025 0.000 1.112 610 F CA 2.266 60.259 58.000 -0.012 0.000 1.212 610 F CB -0.633 38.356 39.000 -0.019 0.000 0.975 610 F HN 0.735 nan 8.300 nan 0.000 0.476 611 E N 0.283 120.544 120.200 0.101 0.000 2.085 611 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 611 E C 1.878 178.474 176.600 -0.007 0.000 0.994 611 E CA 1.653 58.054 56.400 0.001 0.000 0.801 611 E CB -0.489 29.258 29.700 0.078 0.000 0.743 611 E HN 0.423 nan 8.360 nan 0.000 0.453 612 D N -0.372 120.056 120.400 0.046 0.000 2.144 612 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 612 D C 1.621 177.933 176.300 0.020 0.000 0.978 612 D CA 0.565 54.620 54.000 0.092 0.000 0.833 612 D CB -0.331 40.526 40.800 0.096 0.000 0.961 612 D HN 0.125 nan 8.370 nan 0.000 0.470 613 F N 1.470 121.307 119.950 -0.189 0.000 2.095 613 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 613 F C 2.210 177.770 175.800 -0.401 0.000 1.104 613 F CA 1.171 58.994 58.000 -0.296 0.000 1.232 613 F CB -0.318 38.469 39.000 -0.354 0.000 0.987 613 F HN -0.213 nan 8.300 nan 0.000 0.475 614 V N 0.021 119.709 119.914 -0.376 0.000 2.287 614 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 614 V C 2.136 178.057 176.094 -0.289 0.000 1.053 614 V CA 2.330 64.385 62.300 -0.408 0.000 1.027 614 V CB -1.256 30.323 31.823 -0.407 0.000 0.646 614 V HN 0.627 nan 8.190 nan 0.000 0.447 615 Y N 0.936 121.085 120.300 -0.252 0.000 2.128 615 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 615 Y C 2.322 178.042 175.900 -0.301 0.000 1.154 615 Y CA 1.984 59.970 58.100 -0.189 0.000 1.149 615 Y CB -0.717 37.720 38.460 -0.037 0.000 0.976 615 Y HN 0.048 nan 8.280 nan 0.000 0.505 616 V N 0.748 120.148 119.914 -0.857 0.000 2.427 616 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 616 V C 2.686 178.237 176.094 -0.906 0.000 1.051 616 V CA 1.788 63.466 62.300 -1.036 0.000 1.048 616 V CB -1.603 29.758 31.823 -0.771 0.000 0.666 616 V HN 0.658 nan 8.190 nan 0.000 0.456 617 G N -0.004 108.318 108.800 -0.797 0.000 2.440 617 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 617 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 617 G C 1.587 176.204 174.900 -0.471 0.000 1.154 617 G CA 1.054 45.781 45.100 -0.622 0.000 0.767 617 G HN 0.473 nan 8.290 nan 0.000 0.552 618 L N 0.075 120.993 121.223 -0.509 0.000 2.017 618 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 618 L C 3.022 179.485 176.870 -0.679 0.000 1.073 618 L CA 0.523 55.024 54.840 -0.564 0.000 0.745 618 L CB -0.546 41.142 42.059 -0.619 0.000 0.894 618 L HN 0.090 nan 8.230 nan 0.000 0.432 619 V N -0.003 119.484 119.914 -0.712 0.000 2.332 619 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 619 V C 2.388 178.141 176.094 -0.568 0.000 1.055 619 V CA 1.816 63.732 62.300 -0.640 0.000 1.038 619 V CB -0.473 30.923 31.823 -0.711 0.000 0.651 619 V HN 0.347 nan 8.190 nan 0.000 0.450 620 L N 0.107 120.948 121.223 -0.636 0.000 1.994 620 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 620 L C 2.511 179.107 176.870 -0.456 0.000 1.071 620 L CA 2.404 56.980 54.840 -0.440 0.000 0.745 620 L CB -0.936 40.915 42.059 -0.347 0.000 0.892 620 L HN 0.395 nan 8.230 nan 0.000 0.431 621 Q N -0.710 118.872 119.800 -0.364 0.000 2.096 621 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 621 Q C 2.030 177.754 176.000 -0.461 0.000 0.982 621 Q CA 1.901 57.526 55.803 -0.298 0.000 0.850 621 Q CB -0.532 28.125 28.738 -0.134 0.000 0.901 621 Q HN 0.677 nan 8.270 nan 0.000 0.422 622 G N 0.467 108.981 108.800 -0.478 0.000 2.421 622 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 622 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 622 G C 1.389 176.023 174.900 -0.443 0.000 1.171 622 G CA 0.643 45.462 45.100 -0.467 0.000 0.775 622 G HN 0.301 nan 8.290 nan 0.000 0.543 623 Q N 0.352 119.895 119.800 -0.429 0.000 2.046 623 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 623 Q C 2.858 178.536 176.000 -0.537 0.000 0.975 623 Q CA 1.501 57.080 55.803 -0.372 0.000 0.836 623 Q CB -0.882 27.710 28.738 -0.243 0.000 0.896 623 Q HN 0.443 nan 8.270 nan 0.000 0.428 624 G N 0.575 108.784 108.800 -0.984 0.000 2.404 624 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 624 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 624 G C 1.461 175.771 174.900 -0.983 0.000 1.174 624 G CA 0.585 44.566 45.100 -1.864 0.000 0.780 624 G HN 0.153 nan 8.290 nan 0.000 0.537 625 M N 1.162 120.342 119.600 -0.701 0.000 2.132 625 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 625 M C 2.636 178.803 176.300 -0.222 0.000 1.065 625 M CA 1.502 56.605 55.300 -0.328 0.000 1.122 625 M CB -0.791 31.520 32.600 -0.481 0.000 1.365 625 M HN 0.413 nan 8.290 nan 0.000 0.411 626 R N -1.068 119.241 120.500 -0.319 0.000 2.120 626 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 626 R C 1.941 178.140 176.300 -0.167 0.000 1.123 626 R CA 1.866 57.812 56.100 -0.257 0.000 0.975 626 R CB -1.444 28.696 30.300 -0.266 0.000 0.866 626 R HN 0.352 nan 8.270 nan 0.000 0.446 627 H N 0.081 119.010 119.070 -0.235 0.000 2.387 627 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 627 H C 2.008 177.226 175.328 -0.183 0.000 1.099 627 H CA 2.250 58.193 56.048 -0.174 0.000 1.315 627 H CB -0.509 29.159 29.762 -0.157 0.000 1.380 627 H HN 0.410 nan 8.280 nan 0.000 0.513 628 G N 0.026 108.756 108.800 -0.117 0.000 2.404 628 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 628 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 628 G C 1.728 176.190 174.900 -0.730 0.000 1.174 628 G CA 0.752 45.617 45.100 -0.391 0.000 0.780 628 G HN 0.396 nan 8.290 nan 0.000 0.537 629 L N 0.230 121.321 121.223 -0.220 0.000 2.042 629 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 629 L C 2.884 179.676 176.870 -0.129 0.000 1.076 629 L CA 1.433 56.247 54.840 -0.043 0.000 0.749 629 L CB -0.462 41.580 42.059 -0.028 0.000 0.893 629 L HN 0.304 nan 8.230 nan 0.000 0.432 630 E N 0.146 120.210 120.200 -0.226 0.000 2.072 630 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 630 E C 2.345 178.770 176.600 -0.292 0.000 0.985 630 E CA 1.100 57.364 56.400 -0.226 0.000 0.801 630 E CB -0.195 29.365 29.700 -0.233 0.000 0.750 630 E HN 0.499 nan 8.360 nan 0.000 0.452 631 A N 1.056 123.625 122.820 -0.418 0.000 1.902 631 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 631 A C 1.713 179.194 177.584 -0.172 0.000 1.181 631 A CA 1.717 53.541 52.037 -0.357 0.000 0.623 631 A CB -0.911 17.851 19.000 -0.398 0.000 0.818 631 A HN 0.331 nan 8.150 nan 0.000 0.443 632 H N -0.904 118.103 119.070 -0.105 0.000 2.321 632 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 632 H C 2.500 177.865 175.328 0.062 0.000 1.087 632 H CA 1.318 57.389 56.048 0.039 0.000 1.319 632 H CB -0.062 29.750 29.762 0.083 0.000 1.379 632 H HN 0.386 nan 8.280 nan 0.000 0.501 633 R N 0.633 121.094 120.500 -0.066 0.000 2.081 633 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 633 R C 2.471 178.568 176.300 -0.338 0.000 1.131 633 R CA 1.134 56.886 56.100 -0.581 0.000 0.960 633 R CB -0.250 29.780 30.300 -0.449 0.000 0.856 633 R HN 0.279 nan 8.270 nan 0.000 0.436 634 R N 0.879 121.238 120.500 -0.236 0.000 2.127 634 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 634 R C 0.963 177.153 176.300 -0.183 0.000 1.134 634 R CA 1.314 57.252 56.100 -0.269 0.000 0.975 634 R CB -0.011 30.027 30.300 -0.437 0.000 0.865 634 R HN 0.217 nan 8.270 nan 0.000 0.447 635 N N 0.912 119.565 118.700 -0.079 0.000 2.295 635 N HA -0.038 4.702 4.740 -0.000 0.000 0.221 635 N C -0.392 175.210 175.510 0.154 0.000 1.129 635 N CA -0.075 52.995 53.050 0.034 0.000 0.836 635 N CB 0.319 38.842 38.487 0.061 0.000 1.040 635 N HN 0.193 nan 8.380 nan 0.000 0.494 636 R N 2.317 122.882 120.500 0.108 0.000 2.590 636 R HA 0.080 4.420 4.340 -0.000 0.000 0.274 636 R C -1.587 174.795 176.300 0.137 0.000 1.061 636 R CA -0.752 55.452 56.100 0.173 0.000 1.081 636 R CB 0.730 31.078 30.300 0.081 0.000 0.984 636 R HN -0.010 nan 8.270 nan 0.000 0.448 637 P HA -0.027 nan 4.420 nan 0.000 0.261 637 P C 0.555 177.953 177.300 0.163 0.000 1.268 637 P CA 0.205 63.385 63.100 0.133 0.000 0.833 637 P CB -0.047 31.678 31.700 0.041 0.000 1.231 638 Y N 0.979 121.342 120.300 0.104 0.000 2.102 638 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 638 Y C 1.186 177.174 175.900 0.147 0.000 1.178 638 Y CA 1.367 59.537 58.100 0.117 0.000 1.146 638 Y CB -0.579 37.945 38.460 0.106 0.000 0.968 638 Y HN 0.035 nan 8.280 nan 0.000 0.504 639 C N 2.045 121.555 119.300 0.350 0.000 2.350 639 C HA 0.390 4.850 4.460 -0.000 0.000 0.348 639 C C 0.632 175.803 174.990 0.302 0.000 1.260 639 C CA -0.783 58.395 59.018 0.267 0.000 1.966 639 C CB 0.026 27.950 27.740 0.307 0.000 2.380 639 C HN 0.604 nan 8.230 nan 0.000 0.535 640 M N 4.666 124.323 119.600 0.096 0.000 2.416 640 M HA 0.320 4.800 4.480 -0.000 0.000 0.337 640 M C 0.471 176.279 176.300 -0.820 0.000 1.074 640 M CA 0.192 55.464 55.300 -0.047 0.000 0.968 640 M CB 0.003 32.738 32.600 0.226 0.000 1.472 640 M HN 1.001 nan 8.290 nan 0.000 0.539 641 G N -0.417 107.543 108.800 -1.400 0.000 2.387 641 G HA2 0.376 4.336 3.960 -0.000 0.000 0.294 641 G HA3 0.376 4.336 3.960 -0.000 0.000 0.294 641 G C -1.667 172.445 174.900 -1.313 0.000 1.509 641 G CA -0.375 43.583 45.100 -1.903 0.000 0.806 641 G HN -0.096 nan 8.290 nan 0.000 0.546 642 T N 0.210 114.299 114.554 -0.774 0.000 3.109 642 T HA 0.591 4.940 4.350 -0.000 0.000 0.311 642 T C -1.240 173.439 174.700 -0.035 0.000 1.011 642 T CA -0.444 61.513 62.100 -0.239 0.000 1.026 642 T CB 0.592 69.633 68.868 0.290 0.000 1.047 642 T HN 0.594 nan 8.240 nan 0.000 0.448 643 L N 6.591 127.821 121.223 0.011 0.000 2.377 643 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 643 L C -0.323 176.582 176.870 0.058 0.000 0.991 643 L CA -1.313 53.518 54.840 -0.015 0.000 0.851 643 L CB 0.910 42.916 42.059 -0.088 0.000 1.218 643 L HN 0.718 nan 8.230 nan 0.000 0.420 644 Y N 0.350 120.674 120.300 0.041 0.000 2.326 644 Y HA 0.265 4.815 4.550 -0.000 0.000 0.333 644 Y C -0.268 175.495 175.900 -0.228 0.000 1.240 644 Y CA -0.863 57.116 58.100 -0.203 0.000 1.365 644 Y CB 0.741 38.912 38.460 -0.481 0.000 1.289 644 Y HN 0.561 nan 8.280 nan 0.000 0.548 645 W N 6.605 127.781 121.300 -0.207 0.000 2.316 645 W HA 0.341 5.001 4.660 -0.000 0.000 0.308 645 W C -1.381 175.120 176.519 -0.029 0.000 1.106 645 W CA -0.596 56.641 57.345 -0.180 0.000 1.262 645 W CB 1.211 30.635 29.460 -0.061 0.000 1.233 645 W HN 0.922 nan 8.180 nan 0.000 0.447 646 Q N 3.877 123.332 119.800 -0.575 0.000 2.544 646 Q HA 0.268 4.608 4.340 -0.000 0.000 0.291 646 Q C -0.313 175.314 176.000 -0.623 0.000 1.068 646 Q CA -0.877 54.220 55.803 -1.178 0.000 0.785 646 Q CB 1.855 29.411 28.738 -1.970 0.000 1.481 646 Q HN 0.402 nan 8.270 nan 0.000 0.430 647 L N 1.100 121.904 121.223 -0.698 0.000 2.027 647 L HA 0.009 4.349 4.340 -0.000 0.000 0.206 647 L C 0.060 176.695 176.870 -0.391 0.000 1.074 647 L CA 2.025 56.602 54.840 -0.437 0.000 0.745 647 L CB -0.243 41.579 42.059 -0.396 0.000 0.898 647 L HN 0.903 nan 8.230 nan 0.000 0.433 648 N N -2.347 116.036 118.700 -0.529 0.000 2.774 648 N HA 0.272 5.012 4.740 -0.000 0.000 0.264 648 N C -1.681 173.518 175.510 -0.518 0.000 1.415 648 N CA -0.685 52.092 53.050 -0.456 0.000 0.815 648 N CB 1.159 39.399 38.487 -0.412 0.000 1.514 648 N HN -0.153 nan 8.380 nan 0.000 0.523 649 D N -0.786 119.401 120.400 -0.354 0.000 2.575 649 D HA 0.303 4.943 4.640 -0.000 0.000 0.236 649 D C 0.387 176.628 176.300 -0.098 0.000 1.075 649 D CA -0.370 53.470 54.000 -0.268 0.000 0.860 649 D CB 2.166 42.872 40.800 -0.157 0.000 1.475 649 D HN 0.600 nan 8.370 nan 0.000 0.474 650 S N 0.448 116.136 115.700 -0.021 0.000 2.524 650 S HA 0.129 4.599 4.470 -0.000 0.000 0.216 650 S C 0.441 175.045 174.600 0.008 0.000 0.987 650 S CA -0.191 58.083 58.200 0.124 0.000 0.909 650 S CB 0.244 63.575 63.200 0.219 0.000 0.781 650 S HN 0.615 nan 8.310 nan 0.000 0.521 651 W N -0.547 120.372 121.300 -0.635 0.000 2.982 651 W HA 0.521 5.181 4.660 -0.000 0.000 0.344 651 W C -3.868 172.157 176.519 -0.823 0.000 1.215 651 W CA -2.560 53.901 57.345 -1.474 0.000 1.182 651 W CB -0.234 28.177 29.460 -1.747 0.000 1.437 651 W HN -0.244 nan 8.180 nan 0.000 0.570 652 P HA 0.325 nan 4.420 nan 0.000 0.270 652 P C -0.470 176.147 177.300 -1.138 0.000 1.242 652 P CA 0.519 63.293 63.100 -0.544 0.000 0.768 652 P CB 1.202 32.936 31.700 0.057 0.000 0.820 653 V N 4.303 123.706 119.914 -0.852 0.000 3.264 653 V HA 0.243 4.363 4.120 -0.000 0.000 0.294 653 V C -1.151 174.635 176.094 -0.513 0.000 1.429 653 V CA -0.918 60.819 62.300 -0.939 0.000 1.053 653 V CB 2.582 33.728 31.823 -1.129 0.000 1.128 653 V HN 0.042 nan 8.190 nan 0.000 0.452 654 V N 4.490 124.094 119.914 -0.516 0.000 2.488 654 V HA 0.763 4.883 4.120 -0.000 0.000 0.277 654 V C 0.396 176.212 176.094 -0.464 0.000 1.046 654 V CA 0.908 62.878 62.300 -0.550 0.000 0.986 654 V CB 0.634 31.964 31.823 -0.822 0.000 0.989 654 V HN 1.194 nan 8.190 nan 0.000 0.475 655 S N 3.796 119.212 115.700 -0.473 0.000 2.727 655 S HA 0.430 4.900 4.470 -0.000 0.000 0.278 655 S C -0.247 174.035 174.600 -0.531 0.000 1.186 655 S CA -0.835 57.096 58.200 -0.449 0.000 0.836 655 S CB 1.139 64.298 63.200 -0.068 0.000 1.186 655 S HN 0.539 nan 8.310 nan 0.000 0.499 656 W N 2.440 123.598 121.300 -0.237 0.000 3.180 656 W HA 0.191 4.851 4.660 -0.000 0.000 0.254 656 W C 1.143 177.480 176.519 -0.304 0.000 1.318 656 W CA 0.202 57.391 57.345 -0.261 0.000 1.608 656 W CB -0.483 28.967 29.460 -0.017 0.000 1.124 656 W HN 0.796 nan 8.180 nan 0.000 0.694 657 S N 0.688 116.294 115.700 -0.158 0.000 2.573 657 S HA 0.009 4.479 4.470 -0.000 0.000 0.277 657 S C 1.246 175.727 174.600 -0.198 0.000 1.346 657 S CA 0.308 58.364 58.200 -0.238 0.000 1.034 657 S CB 1.551 64.582 63.200 -0.281 0.000 0.879 657 S HN 0.138 nan 8.310 nan 0.000 0.528 658 S N 1.381 116.990 115.700 -0.152 0.000 2.524 658 S HA 0.305 4.775 4.470 -0.000 0.000 0.216 658 S C 0.277 174.749 174.600 -0.214 0.000 0.987 658 S CA -0.403 57.702 58.200 -0.159 0.000 0.909 658 S CB -0.630 62.553 63.200 -0.029 0.000 0.781 658 S HN 0.715 nan 8.310 nan 0.000 0.521 659 I N 3.204 123.620 120.570 -0.257 0.000 2.478 659 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 659 I C -0.845 175.172 176.117 -0.166 0.000 1.042 659 I CA -1.008 60.139 61.300 -0.256 0.000 1.067 659 I CB 1.911 39.668 38.000 -0.405 0.000 1.233 659 I HN 0.103 nan 8.210 nan 0.000 0.431 660 D N 4.477 124.837 120.400 -0.067 0.000 2.393 660 D HA -0.102 4.538 4.640 -0.000 0.000 0.246 660 D C 1.025 177.303 176.300 -0.036 0.000 1.275 660 D CA -0.027 53.953 54.000 -0.033 0.000 0.979 660 D CB 0.537 41.373 40.800 0.061 0.000 1.101 660 D HN 0.546 nan 8.370 nan 0.000 0.505 661 Y N -0.260 119.920 120.300 -0.200 0.000 2.256 661 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 661 Y C 1.194 176.898 175.900 -0.326 0.000 1.155 661 Y CA 1.437 59.342 58.100 -0.324 0.000 1.203 661 Y CB -0.379 37.788 38.460 -0.488 0.000 0.980 661 Y HN 0.408 nan 8.280 nan 0.000 0.530 662 Y N -0.020 120.248 120.300 -0.054 0.000 2.490 662 Y HA 0.263 4.813 4.550 -0.000 0.000 0.281 662 Y C 1.965 177.831 175.900 -0.056 0.000 1.174 662 Y CA 0.342 58.386 58.100 -0.094 0.000 1.295 662 Y CB -0.171 38.324 38.460 0.058 0.000 1.062 662 Y HN 0.237 nan 8.280 nan 0.000 0.522 663 G N -0.077 108.744 108.800 0.034 0.000 2.159 663 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 663 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 663 G C -0.115 174.893 174.900 0.181 0.000 0.977 663 G CA -0.213 44.924 45.100 0.062 0.000 0.652 663 G HN 0.306 nan 8.290 nan 0.000 0.531 664 N N 0.421 119.245 118.700 0.207 0.000 2.475 664 N HA 0.218 4.958 4.740 -0.000 0.000 0.267 664 N C 0.024 175.725 175.510 0.318 0.000 1.169 664 N CA 0.142 53.357 53.050 0.275 0.000 0.947 664 N CB 0.374 39.023 38.487 0.270 0.000 1.061 664 N HN 0.243 nan 8.380 nan 0.000 0.466 665 W N 2.549 123.875 121.300 0.043 0.000 2.303 665 W HA 0.183 4.843 4.660 -0.000 0.000 0.318 665 W C 1.099 177.665 176.519 0.078 0.000 1.362 665 W CA -0.387 56.914 57.345 -0.073 0.000 1.234 665 W CB 0.053 29.330 29.460 -0.306 0.000 1.248 665 W HN 0.219 nan 8.180 nan 0.000 0.546 666 K N 2.047 122.510 120.400 0.106 0.000 2.118 666 K HA 0.384 4.704 4.320 -0.000 0.000 0.240 666 K C 1.274 177.746 176.600 -0.213 0.000 1.035 666 K CA -0.052 56.174 56.287 -0.102 0.000 0.899 666 K CB 0.526 32.882 32.500 -0.239 0.000 1.085 666 K HN 0.447 nan 8.250 nan 0.000 0.498 667 A N 1.038 123.277 122.820 -0.967 0.000 1.948 667 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 667 A C 2.007 179.374 177.584 -0.362 0.000 1.177 667 A CA 1.579 53.014 52.037 -1.005 0.000 0.636 667 A CB -0.577 17.517 19.000 -1.510 0.000 0.815 667 A HN 0.636 nan 8.150 nan 0.000 0.449 668 L N -0.828 120.139 121.223 -0.427 0.000 2.081 668 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 668 L C 2.214 178.831 176.870 -0.422 0.000 1.080 668 L CA 2.810 57.387 54.840 -0.439 0.000 0.754 668 L CB -0.941 40.824 42.059 -0.489 0.000 0.893 668 L HN 0.596 nan 8.230 nan 0.000 0.433 669 H N -2.168 116.647 119.070 -0.425 0.000 2.357 669 H HA -0.142 4.414 4.556 -0.000 0.000 0.301 669 H C 1.899 176.940 175.328 -0.479 0.000 1.082 669 H CA 2.250 57.932 56.048 -0.610 0.000 1.342 669 H CB -0.158 29.000 29.762 -1.006 0.000 1.389 669 H HN 0.466 nan 8.280 nan 0.000 0.511 670 Y N 0.066 120.397 120.300 0.052 0.000 2.200 670 Y HA -0.207 4.343 4.550 -0.000 0.000 0.290 670 Y C 2.587 178.453 175.900 -0.058 0.000 1.137 670 Y CA 1.054 59.256 58.100 0.170 0.000 1.163 670 Y CB -0.150 38.487 38.460 0.295 0.000 0.988 670 Y HN 0.240 nan 8.280 nan 0.000 0.518 671 Q N -0.071 119.709 119.800 -0.033 0.000 2.124 671 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 671 Q C 2.588 178.379 176.000 -0.349 0.000 0.977 671 Q CA 1.304 57.001 55.803 -0.177 0.000 0.850 671 Q CB -0.634 27.950 28.738 -0.258 0.000 0.901 671 Q HN 0.545 nan 8.270 nan 0.000 0.429 672 A N 1.638 124.135 122.820 -0.539 0.000 1.877 672 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 672 A C 2.154 179.359 177.584 -0.631 0.000 1.186 672 A CA 1.815 53.355 52.037 -0.827 0.000 0.620 672 A CB -0.512 17.965 19.000 -0.872 0.000 0.822 672 A HN 0.323 nan 8.150 nan 0.000 0.443 673 K N -0.263 119.911 120.400 -0.375 0.000 2.020 673 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 673 K C 2.249 178.834 176.600 -0.024 0.000 1.050 673 K CA 1.913 58.136 56.287 -0.107 0.000 0.929 673 K CB -0.227 32.298 32.500 0.041 0.000 0.714 673 K HN 0.469 nan 8.250 nan 0.000 0.443 674 R N -0.197 120.279 120.500 -0.040 0.000 2.081 674 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 674 R C 2.411 178.688 176.300 -0.039 0.000 1.131 674 R CA 1.284 57.378 56.100 -0.010 0.000 0.960 674 R CB -0.361 29.938 30.300 -0.001 0.000 0.856 674 R HN 0.282 nan 8.270 nan 0.000 0.436 675 A N 0.244 122.976 122.820 -0.148 0.000 2.067 675 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 675 A C 1.223 178.849 177.584 0.070 0.000 1.158 675 A CA 0.958 52.913 52.037 -0.137 0.000 0.661 675 A CB -0.134 18.681 19.000 -0.309 0.000 0.801 675 A HN 0.187 nan 8.150 nan 0.000 0.452 676 F N -0.365 119.562 119.950 -0.039 0.000 2.695 676 F HA 0.459 4.986 4.527 -0.000 0.000 0.303 676 F C 1.422 177.213 175.800 -0.016 0.000 1.091 676 F CA -0.963 57.022 58.000 -0.024 0.000 1.300 676 F CB -0.924 38.060 39.000 -0.028 0.000 1.071 676 F HN 0.162 nan 8.300 nan 0.000 0.578 677 A N 1.656 124.572 122.820 0.161 0.000 2.565 677 A HA 0.111 4.431 4.320 -0.000 0.000 0.237 677 A C -1.168 176.465 177.584 0.082 0.000 1.053 677 A CA -0.689 51.409 52.037 0.102 0.000 0.755 677 A CB -0.242 18.800 19.000 0.069 0.000 0.980 677 A HN 0.078 nan 8.150 nan 0.000 0.506 678 P HA -0.097 nan 4.420 nan 0.000 0.216 678 P C 0.048 177.386 177.300 0.064 0.000 1.154 678 P CA 1.151 64.297 63.100 0.075 0.000 0.865 678 P CB 0.011 31.764 31.700 0.088 0.000 0.789 679 V N 0.360 120.306 119.914 0.053 0.000 2.409 679 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 679 V C -0.343 175.768 176.094 0.028 0.000 1.020 679 V CA -0.708 61.615 62.300 0.038 0.000 0.848 679 V CB 1.670 33.513 31.823 0.034 0.000 0.990 679 V HN -0.163 nan 8.190 nan 0.000 0.430 680 L N 6.678 127.914 121.223 0.021 0.000 2.381 680 L HA 0.674 5.014 4.340 -0.000 0.000 0.274 680 L C -0.656 176.224 176.870 0.017 0.000 0.988 680 L CA -0.060 54.789 54.840 0.015 0.000 0.824 680 L CB 1.730 43.794 42.059 0.008 0.000 1.263 680 L HN 0.563 nan 8.230 nan 0.000 0.410 681 I N 4.704 125.283 120.570 0.015 0.000 2.325 681 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 681 I C 0.150 176.284 176.117 0.028 0.000 1.019 681 I CA 0.055 61.368 61.300 0.021 0.000 1.302 681 I CB 0.687 38.690 38.000 0.006 0.000 1.401 681 I HN 0.637 nan 8.210 nan 0.000 0.485 682 N N 8.651 127.384 118.700 0.054 0.000 2.706 682 N HA 0.342 5.081 4.740 -0.000 0.000 0.240 682 N C -2.663 172.894 175.510 0.078 0.000 1.039 682 N CA -1.641 51.435 53.050 0.044 0.000 0.888 682 N CB 1.391 39.881 38.487 0.006 0.000 1.128 682 N HN 0.228 nan 8.380 nan 0.000 0.512 683 P HA 0.170 nan 4.420 nan 0.000 0.276 683 P C -0.816 176.469 177.300 -0.026 0.000 1.243 683 P CA -0.293 62.779 63.100 -0.047 0.000 0.768 683 P CB 1.106 32.676 31.700 -0.218 0.000 0.856 684 I N 2.193 122.775 120.570 0.021 0.000 2.478 684 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 684 I C -0.863 175.320 176.117 0.111 0.000 1.042 684 I CA -0.778 60.572 61.300 0.083 0.000 1.067 684 I CB 1.855 39.878 38.000 0.038 0.000 1.233 684 I HN 0.244 nan 8.210 nan 0.000 0.431 685 Q N 6.590 126.503 119.800 0.189 0.000 2.333 685 Q HA 0.592 4.932 4.340 -0.000 0.000 0.265 685 Q C -1.570 174.542 176.000 0.186 0.000 0.989 685 Q CA -0.554 55.377 55.803 0.214 0.000 0.842 685 Q CB 1.230 30.180 28.738 0.352 0.000 1.262 685 Q HN 0.719 nan 8.270 nan 0.000 0.451 686 Q N 2.655 122.545 119.800 0.150 0.000 2.340 686 Q HA 0.294 4.634 4.340 -0.000 0.000 0.276 686 Q C -1.065 174.996 176.000 0.103 0.000 1.048 686 Q CA -0.766 55.108 55.803 0.118 0.000 0.832 686 Q CB 1.869 30.670 28.738 0.104 0.000 1.373 686 Q HN 0.878 nan 8.270 nan 0.000 0.409 687 N N 1.538 120.288 118.700 0.084 0.000 2.725 687 N HA -0.210 4.529 4.740 -0.000 0.000 0.251 687 N C -1.249 174.306 175.510 0.075 0.000 1.031 687 N CA 0.587 53.678 53.050 0.069 0.000 0.720 687 N CB -0.797 37.726 38.487 0.060 0.000 0.930 687 N HN 0.804 nan 8.380 nan 0.000 0.543 688 D N -0.745 119.708 120.400 0.087 0.000 2.713 688 D HA -0.200 4.440 4.640 -0.000 0.000 0.231 688 D C -0.676 175.696 176.300 0.119 0.000 1.173 688 D CA 1.705 55.763 54.000 0.098 0.000 0.628 688 D CB -0.463 40.376 40.800 0.064 0.000 1.033 688 D HN 0.490 nan 8.370 nan 0.000 0.419 689 S N -0.728 115.054 115.700 0.136 0.000 2.548 689 S HA 0.726 5.196 4.470 -0.000 0.000 0.286 689 S C -1.383 173.328 174.600 0.186 0.000 1.098 689 S CA -0.964 57.327 58.200 0.151 0.000 0.930 689 S CB 1.388 64.647 63.200 0.099 0.000 1.070 689 S HN 0.215 nan 8.310 nan 0.000 0.480 690 L N 3.343 124.702 121.223 0.226 0.000 2.313 690 L HA 0.741 5.081 4.340 -0.000 0.000 0.283 690 L C -0.620 176.352 176.870 0.169 0.000 1.013 690 L CA 0.238 55.213 54.840 0.224 0.000 0.816 690 L CB 1.754 44.034 42.059 0.368 0.000 1.236 690 L HN 0.617 nan 8.230 nan 0.000 0.419 691 S N 3.135 118.926 115.700 0.152 0.000 2.568 691 S HA 0.811 5.281 4.470 -0.000 0.000 0.302 691 S C -1.017 173.692 174.600 0.182 0.000 1.082 691 S CA -0.619 57.668 58.200 0.147 0.000 1.009 691 S CB 2.040 65.359 63.200 0.200 0.000 1.069 691 S HN 0.409 nan 8.310 nan 0.000 0.500 692 V N 2.854 122.847 119.914 0.132 0.000 2.444 692 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 692 V C -1.470 174.642 176.094 0.030 0.000 1.022 692 V CA -0.623 61.752 62.300 0.124 0.000 0.850 692 V CB 0.811 32.691 31.823 0.095 0.000 0.992 692 V HN 0.857 nan 8.190 nan 0.000 0.426 693 Y N 4.329 124.632 120.300 0.004 0.000 2.360 693 Y HA 0.627 5.177 4.550 -0.000 0.000 0.337 693 Y C 0.095 175.987 175.900 -0.013 0.000 1.039 693 Y CA -0.831 57.266 58.100 -0.005 0.000 1.109 693 Y CB 1.842 40.289 38.460 -0.020 0.000 1.201 693 Y HN 0.411 nan 8.280 nan 0.000 0.458 694 L N 5.494 126.778 121.223 0.102 0.000 2.272 694 L HA 0.526 4.866 4.340 -0.000 0.000 0.289 694 L C -0.803 176.110 176.870 0.072 0.000 1.032 694 L CA -0.436 54.440 54.840 0.061 0.000 0.810 694 L CB 0.966 43.037 42.059 0.021 0.000 1.205 694 L HN 0.538 nan 8.230 nan 0.000 0.422 695 I N 2.502 123.100 120.570 0.047 0.000 2.436 695 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 695 I C -0.167 175.957 176.117 0.011 0.000 1.010 695 I CA -0.185 61.125 61.300 0.016 0.000 1.098 695 I CB 2.116 40.099 38.000 -0.029 0.000 1.266 695 I HN 0.502 nan 8.210 nan 0.000 0.434 696 S N 3.935 119.646 115.700 0.018 0.000 2.557 696 S HA 0.378 4.848 4.470 -0.000 0.000 0.291 696 S C -0.426 174.217 174.600 0.072 0.000 1.116 696 S CA -0.639 57.586 58.200 0.043 0.000 0.992 696 S CB 1.309 64.538 63.200 0.047 0.000 1.028 696 S HN 0.574 nan 8.310 nan 0.000 0.484 697 D N 3.020 123.486 120.400 0.109 0.000 2.388 697 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 697 D C 0.318 176.825 176.300 0.344 0.000 1.133 697 D CA 0.007 54.138 54.000 0.218 0.000 0.831 697 D CB 0.393 41.288 40.800 0.157 0.000 0.962 697 D HN 0.469 nan 8.370 nan 0.000 0.502 698 R N 0.248 120.865 120.500 0.195 0.000 2.582 698 R HA 0.285 4.625 4.340 -0.000 0.000 0.271 698 R C 1.541 177.858 176.300 0.028 0.000 1.078 698 R CA -0.310 55.873 56.100 0.138 0.000 1.127 698 R CB 1.343 31.688 30.300 0.074 0.000 1.038 698 R HN -0.009 nan 8.270 nan 0.000 0.500 699 L N 0.884 122.034 121.223 -0.123 0.000 2.313 699 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 699 L C 0.685 177.470 176.870 -0.142 0.000 1.119 699 L CA 0.599 55.272 54.840 -0.279 0.000 0.809 699 L CB -0.363 41.441 42.059 -0.425 0.000 0.933 699 L HN 0.716 nan 8.230 nan 0.000 0.449 700 D N -1.192 119.166 120.400 -0.071 0.000 2.268 700 D HA 0.132 4.772 4.640 -0.000 0.000 0.249 700 D C -0.309 175.982 176.300 -0.015 0.000 1.008 700 D CA -0.375 53.600 54.000 -0.041 0.000 0.939 700 D CB 1.390 42.175 40.800 -0.026 0.000 1.170 700 D HN -0.288 nan 8.370 nan 0.000 0.468 701 T N 1.291 115.839 114.554 -0.010 0.000 2.856 701 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 701 T C 0.360 175.065 174.700 0.008 0.000 0.980 701 T CA -0.397 61.704 62.100 0.002 0.000 1.091 701 T CB 0.561 69.429 68.868 0.000 0.000 0.936 701 T HN 0.246 nan 8.240 nan 0.000 0.503 702 M N 3.179 122.787 119.600 0.015 0.000 2.209 702 M HA 0.360 4.840 4.480 -0.000 0.000 0.355 702 M C 0.218 176.528 176.300 0.017 0.000 1.171 702 M CA -0.302 55.010 55.300 0.019 0.000 1.069 702 M CB 1.183 33.797 32.600 0.023 0.000 1.622 702 M HN 0.556 nan 8.290 nan 0.000 0.459 703 E N 0.476 120.688 120.200 0.019 0.000 2.263 703 E HA 0.271 4.621 4.350 -0.000 0.000 0.264 703 E C -0.745 175.868 176.600 0.023 0.000 0.923 703 E CA -0.688 55.723 56.400 0.018 0.000 0.802 703 E CB 1.830 31.539 29.700 0.014 0.000 1.228 703 E HN 0.459 nan 8.360 nan 0.000 0.417 704 Q N 0.463 120.278 119.800 0.024 0.000 2.431 704 Q HA -0.193 4.147 4.340 -0.000 0.000 0.344 704 Q C -0.200 175.825 176.000 0.043 0.000 1.384 704 Q CA 0.726 56.549 55.803 0.034 0.000 0.984 704 Q CB -1.703 27.052 28.738 0.029 0.000 1.204 704 Q HN 0.408 nan 8.270 nan 0.000 0.392 705 M N -0.126 119.495 119.600 0.034 0.000 2.359 705 M HA 0.513 4.993 4.480 -0.000 0.000 0.322 705 M C 0.627 176.941 176.300 0.023 0.000 1.166 705 M CA -0.195 55.121 55.300 0.026 0.000 1.067 705 M CB 1.655 34.260 32.600 0.010 0.000 1.523 705 M HN 0.294 nan 8.290 nan 0.000 0.467 706 T N 2.647 117.202 114.554 0.002 0.000 2.792 706 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 706 T C -0.805 173.829 174.700 -0.111 0.000 0.990 706 T CA -0.566 61.492 62.100 -0.071 0.000 0.960 706 T CB 1.479 70.313 68.868 -0.057 0.000 0.939 706 T HN 0.487 nan 8.240 nan 0.000 0.439 707 L N 3.559 124.689 121.223 -0.154 0.000 2.264 707 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 707 L C -0.025 176.721 176.870 -0.206 0.000 1.044 707 L CA -0.149 54.600 54.840 -0.152 0.000 0.807 707 L CB 0.764 42.740 42.059 -0.138 0.000 1.192 707 L HN 0.665 nan 8.230 nan 0.000 0.425 708 E N 5.694 125.797 120.200 -0.161 0.000 2.187 708 E HA 0.597 4.947 4.350 -0.000 0.000 0.268 708 E C -1.472 175.055 176.600 -0.122 0.000 0.896 708 E CA -0.617 55.692 56.400 -0.151 0.000 0.766 708 E CB 1.214 30.852 29.700 -0.103 0.000 1.142 708 E HN 0.725 nan 8.360 nan 0.000 0.408 709 M N 3.601 123.122 119.600 -0.133 0.000 2.518 709 M HA 0.459 4.939 4.480 -0.000 0.000 0.300 709 M C -1.176 175.113 176.300 -0.019 0.000 1.175 709 M CA -0.862 54.392 55.300 -0.077 0.000 0.890 709 M CB 2.491 35.015 32.600 -0.127 0.000 1.710 709 M HN 0.396 nan 8.290 nan 0.000 0.453 710 K N 0.294 120.714 120.400 0.034 0.000 2.542 710 K HA 0.690 5.010 4.320 -0.000 0.000 0.259 710 K C -1.700 174.930 176.600 0.050 0.000 0.932 710 K CA -0.978 55.340 56.287 0.050 0.000 0.820 710 K CB 1.811 34.319 32.500 0.013 0.000 1.345 710 K HN 0.428 nan 8.250 nan 0.000 0.432 711 V N 2.482 122.438 119.914 0.069 0.000 2.488 711 V HA 0.269 4.389 4.120 -0.000 0.000 0.277 711 V C -0.434 175.542 176.094 -0.198 0.000 1.046 711 V CA -0.493 61.791 62.300 -0.027 0.000 0.986 711 V CB 1.143 32.965 31.823 -0.003 0.000 0.989 711 V HN 0.559 nan 8.190 nan 0.000 0.475 712 V N 4.606 124.229 119.914 -0.486 0.000 2.531 712 V HA 0.357 4.476 4.120 -0.000 0.000 0.301 712 V C -0.356 175.359 176.094 -0.633 0.000 1.034 712 V CA -0.973 60.974 62.300 -0.587 0.000 0.865 712 V CB 2.078 33.463 31.823 -0.730 0.000 0.995 712 V HN 1.059 nan 8.190 nan 0.000 0.424 713 D N 3.096 123.323 120.400 -0.288 0.000 2.377 713 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 713 D C 0.725 177.089 176.300 0.108 0.000 1.196 713 D CA -0.405 53.492 54.000 -0.173 0.000 0.962 713 D CB 0.509 41.221 40.800 -0.146 0.000 1.127 713 D HN 0.241 nan 8.370 nan 0.000 0.471 714 F N -0.582 119.414 119.950 0.076 0.000 2.583 714 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 714 F C 1.595 177.464 175.800 0.115 0.000 1.131 714 F CA 0.401 58.508 58.000 0.180 0.000 1.467 714 F CB -0.602 38.501 39.000 0.171 0.000 1.097 714 F HN 0.409 nan 8.300 nan 0.000 0.586 715 D N -1.087 119.449 120.400 0.227 0.000 2.369 715 D HA 0.182 4.822 4.640 -0.000 0.000 0.211 715 D C 2.043 178.403 176.300 0.099 0.000 1.077 715 D CA 0.964 55.042 54.000 0.131 0.000 0.842 715 D CB 0.647 41.499 40.800 0.086 0.000 0.947 715 D HN 0.357 nan 8.370 nan 0.000 0.509 716 G N 1.804 110.667 108.800 0.106 0.000 2.179 716 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 716 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 716 G C 0.454 175.371 174.900 0.029 0.000 0.990 716 G CA -0.246 44.904 45.100 0.083 0.000 0.646 716 G HN 0.237 nan 8.290 nan 0.000 0.517 717 K N 1.887 122.290 120.400 0.005 0.000 2.312 717 K HA 0.429 4.749 4.320 -0.000 0.000 0.287 717 K C 0.115 176.682 176.600 -0.056 0.000 1.062 717 K CA -0.065 56.212 56.287 -0.016 0.000 0.934 717 K CB 0.197 32.690 32.500 -0.013 0.000 1.027 717 K HN 0.092 nan 8.250 nan 0.000 0.478 718 T N 5.307 119.834 114.554 -0.044 0.000 2.902 718 T HA 0.116 4.466 4.350 -0.000 0.000 0.301 718 T C 0.187 174.858 174.700 -0.049 0.000 1.012 718 T CA -0.041 62.026 62.100 -0.054 0.000 1.151 718 T CB 0.143 68.996 68.868 -0.024 0.000 0.946 718 T HN 0.404 nan 8.240 nan 0.000 0.542 719 L N 3.481 124.667 121.223 -0.061 0.000 2.282 719 L HA 0.623 4.963 4.340 -0.000 0.000 0.288 719 L C 1.166 178.040 176.870 0.006 0.000 1.033 719 L CA -0.634 54.180 54.840 -0.045 0.000 0.807 719 L CB 0.755 42.761 42.059 -0.089 0.000 1.209 719 L HN 0.960 nan 8.230 nan 0.000 0.423 720 G N 1.581 110.393 108.800 0.020 0.000 2.645 720 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.239 720 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.239 720 G C -0.379 174.543 174.900 0.038 0.000 1.331 720 G CA -0.051 45.079 45.100 0.051 0.000 0.890 720 G HN 0.849 nan 8.290 nan 0.000 0.572 721 K N -0.197 120.227 120.400 0.040 0.000 2.106 721 K HA 0.829 5.149 4.320 -0.000 0.000 0.246 721 K C 0.558 177.169 176.600 0.018 0.000 0.987 721 K CA 0.295 56.594 56.287 0.020 0.000 0.904 721 K CB 0.595 nan 32.500 nan 0.000 1.071 721 K HN 1.315 nan 8.250 nan 0.000 0.453 722 K N 0.567 120.969 120.400 0.003 0.000 2.448 722 K HA 0.305 4.625 4.320 -0.000 0.000 0.278 722 K C -0.020 176.556 176.600 -0.041 0.000 1.009 722 K CA -0.196 56.083 56.287 -0.013 0.000 0.995 722 K CB 0.164 32.655 32.500 -0.015 0.000 0.917 722 K HN 0.471 nan 8.250 nan 0.000 0.481 723 I N 2.395 122.916 120.570 -0.082 0.000 2.385 723 I HA 0.270 4.440 4.170 -0.000 0.000 0.294 723 I C 0.518 176.527 176.117 -0.179 0.000 0.988 723 I CA -0.008 61.204 61.300 -0.147 0.000 1.265 723 I CB 1.428 39.272 38.000 -0.260 0.000 1.388 723 I HN 0.500 nan 8.210 nan 0.000 0.480 724 Q N 4.565 124.261 119.800 -0.174 0.000 2.356 724 Q HA 0.708 5.048 4.340 -0.000 0.000 0.270 724 Q C -1.548 174.283 176.000 -0.282 0.000 1.058 724 Q CA -0.865 54.772 55.803 -0.276 0.000 0.802 724 Q CB 3.273 31.833 28.738 -0.297 0.000 1.303 724 Q HN 0.406 nan 8.270 nan 0.000 0.444 725 V N 3.021 122.726 119.914 -0.348 0.000 2.409 725 V HA 0.343 4.463 4.120 -0.000 0.000 0.290 725 V C -0.495 175.445 176.094 -0.257 0.000 1.017 725 V CA -0.814 61.368 62.300 -0.197 0.000 0.841 725 V CB 1.087 32.858 31.823 -0.087 0.000 1.003 725 V HN 0.743 nan 8.190 nan 0.000 0.426 726 H N 1.997 121.059 119.070 -0.013 0.000 2.570 726 H HA 0.475 5.030 4.556 -0.000 0.000 0.342 726 H C 0.731 176.054 175.328 -0.008 0.000 1.245 726 H CA -0.014 56.027 56.048 -0.012 0.000 1.318 726 H CB 1.796 31.551 29.762 -0.010 0.000 1.694 726 H HN 0.701 nan 8.280 nan 0.000 0.592 727 S N 0.133 115.919 115.700 0.144 0.000 3.749 727 S HA -0.157 4.313 4.470 -0.000 0.000 0.348 727 S C 0.049 174.673 174.600 0.041 0.000 1.045 727 S CA 0.046 58.289 58.200 0.072 0.000 1.051 727 S CB -1.661 61.575 63.200 0.059 0.000 0.898 727 S HN 0.349 nan 8.310 nan 0.000 0.472 728 L N 1.174 122.416 121.223 0.031 0.000 2.307 728 L HA 0.485 4.825 4.340 -0.000 0.000 0.282 728 L C 0.607 177.484 176.870 0.012 0.000 1.051 728 L CA -0.132 54.715 54.840 0.012 0.000 0.804 728 L CB 1.129 43.186 42.059 -0.003 0.000 1.197 728 L HN 0.275 nan 8.230 nan 0.000 0.431 729 E N 2.268 122.472 120.200 0.008 0.000 2.175 729 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 729 E C -1.381 175.224 176.600 0.008 0.000 0.969 729 E CA -0.663 55.743 56.400 0.009 0.000 0.796 729 E CB 1.851 31.556 29.700 0.009 0.000 1.104 729 E HN 0.305 nan 8.360 nan 0.000 0.395 730 V N 6.768 126.689 119.914 0.012 0.000 2.257 730 V HA 0.269 4.389 4.120 -0.000 0.000 0.269 730 V C -2.284 173.821 176.094 0.018 0.000 1.040 730 V CA -1.842 60.467 62.300 0.015 0.000 0.813 730 V CB 0.500 32.334 31.823 0.017 0.000 1.065 730 V HN 0.662 nan 8.190 nan 0.000 0.457 731 P HA 0.164 nan 4.420 nan 0.000 0.269 731 P C 0.170 177.484 177.300 0.023 0.000 1.215 731 P CA 0.094 63.204 63.100 0.017 0.000 0.780 731 P CB 0.604 32.315 31.700 0.018 0.000 0.898 732 A N 2.950 125.779 122.820 0.014 0.000 2.565 732 A HA 0.004 4.324 4.320 -0.000 0.000 0.237 732 A C 0.732 178.342 177.584 0.044 0.000 1.053 732 A CA 0.168 52.215 52.037 0.016 0.000 0.755 732 A CB -1.018 17.966 19.000 -0.026 0.000 0.980 732 A HN 0.733 nan 8.150 nan 0.000 0.506 733 N N -0.146 118.605 118.700 0.086 0.000 2.725 733 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 733 N C 0.034 175.597 175.510 0.088 0.000 1.031 733 N CA 1.653 54.781 53.050 0.131 0.000 0.720 733 N CB -1.452 37.141 38.487 0.177 0.000 0.930 733 N HN 1.268 nan 8.380 nan 0.000 0.543 734 T N -4.216 110.374 114.554 0.060 0.000 2.883 734 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 734 T C -0.376 174.347 174.700 0.038 0.000 1.117 734 T CA -0.727 61.402 62.100 0.049 0.000 1.006 734 T CB 2.660 71.556 68.868 0.047 0.000 1.191 734 T HN 0.062 nan 8.240 nan 0.000 0.508 735 S N 0.649 116.382 115.700 0.055 0.000 2.552 735 S HA 0.636 5.106 4.470 -0.000 0.000 0.314 735 S C -1.217 173.481 174.600 0.164 0.000 1.099 735 S CA -0.760 57.497 58.200 0.095 0.000 1.070 735 S CB 0.233 63.467 63.200 0.055 0.000 0.998 735 S HN 0.711 nan 8.310 nan 0.000 0.474 736 K N 2.850 123.344 120.400 0.156 0.000 2.468 736 K HA 0.350 4.670 4.320 -0.000 0.000 0.252 736 K C -1.128 175.366 176.600 -0.176 0.000 0.932 736 K CA -0.692 55.621 56.287 0.043 0.000 0.794 736 K CB 1.742 34.243 32.500 0.001 0.000 1.241 736 K HN 0.684 nan 8.250 nan 0.000 0.428 737 C N 3.284 122.276 119.300 -0.513 0.000 2.576 737 C HA 0.227 4.687 4.460 -0.000 0.000 0.401 737 C C 1.610 176.390 174.990 -0.350 0.000 1.314 737 C CA -0.256 58.240 59.018 -0.870 0.000 1.855 737 C CB -0.991 26.174 27.740 -0.958 0.000 2.537 737 C HN 0.695 nan 8.230 nan 0.000 0.578 738 V N 3.459 123.233 119.914 -0.234 0.000 3.556 738 V HA 0.396 4.516 4.120 -0.000 0.000 0.287 738 V C -0.207 175.898 176.094 0.018 0.000 1.422 738 V CA 0.004 62.253 62.300 -0.084 0.000 1.038 738 V CB -0.846 30.950 31.823 -0.045 0.000 0.850 738 V HN 0.827 nan 8.190 nan 0.000 0.437 739 Y N 0.795 120.993 120.300 -0.171 0.000 2.424 739 Y HA 0.702 5.252 4.550 -0.000 0.000 0.323 739 Y C -0.790 175.042 175.900 -0.112 0.000 1.174 739 Y CA -1.056 56.967 58.100 -0.129 0.000 1.060 739 Y CB 1.529 39.924 38.460 -0.110 0.000 1.314 739 Y HN 0.245 nan 8.280 nan 0.000 0.439 740 R N 4.425 124.536 120.500 -0.647 0.000 2.564 740 R HA 0.935 5.275 4.340 -0.000 0.000 0.284 740 R C -2.117 173.823 176.300 -0.601 0.000 1.031 740 R CA -0.658 55.186 56.100 -0.428 0.000 0.904 740 R CB 1.684 31.849 30.300 -0.224 0.000 1.199 740 R HN 0.832 nan 8.270 nan 0.000 0.443 741 A N 2.262 124.907 122.820 -0.293 0.000 2.488 741 A HA 0.391 4.711 4.320 -0.000 0.000 0.295 741 A C -1.201 176.436 177.584 0.089 0.000 1.045 741 A CA -0.814 51.111 52.037 -0.186 0.000 0.703 741 A CB 1.703 20.528 19.000 -0.291 0.000 1.271 741 A HN 0.484 nan 8.150 nan 0.000 0.400 742 K N 1.591 122.038 120.400 0.078 0.000 2.382 742 K HA 0.253 4.573 4.320 -0.000 0.000 0.275 742 K C 1.314 178.092 176.600 0.297 0.000 1.009 742 K CA -0.119 56.256 56.287 0.146 0.000 0.970 742 K CB 0.790 33.338 32.500 0.080 0.000 0.934 742 K HN 0.606 nan 8.250 nan 0.000 0.479 743 L N 0.422 121.792 121.223 0.244 0.000 2.156 743 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 743 L C 1.048 177.982 176.870 0.105 0.000 1.095 743 L CA 0.755 55.699 54.840 0.173 0.000 0.770 743 L CB -0.216 41.850 42.059 0.012 0.000 0.914 743 L HN 0.716 nan 8.230 nan 0.000 0.439 744 D N 0.014 120.465 120.400 0.084 0.000 2.401 744 D HA 0.293 4.933 4.640 -0.000 0.000 0.254 744 D C 1.013 177.363 176.300 0.083 0.000 1.192 744 D CA 1.227 55.259 54.000 0.053 0.000 0.885 744 D CB 0.670 41.492 40.800 0.036 0.000 1.147 744 D HN 0.321 nan 8.370 nan 0.000 0.478 745 G N 3.135 111.978 108.800 0.071 0.000 2.175 745 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 745 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 745 G C 0.486 175.485 174.900 0.166 0.000 0.982 745 G CA 0.375 45.526 45.100 0.084 0.000 0.641 745 G HN 0.565 nan 8.290 nan 0.000 0.527 746 W N 0.434 121.702 121.300 -0.053 0.000 3.517 746 W HA 0.641 5.301 4.660 -0.000 0.000 0.234 746 W C 0.230 176.684 176.519 -0.108 0.000 0.972 746 W CA 0.437 57.745 57.345 -0.062 0.000 2.002 746 W CB 0.124 29.560 29.460 -0.041 0.000 1.018 746 W HN 0.102 nan 8.180 nan 0.000 0.712 747 L N 2.404 123.451 121.223 -0.293 0.000 2.365 747 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 747 L C 0.676 177.373 176.870 -0.288 0.000 1.000 747 L CA -0.769 53.777 54.840 -0.490 0.000 0.819 747 L CB 1.911 43.395 42.059 -0.958 0.000 1.284 747 L HN -0.091 nan 8.230 nan 0.000 0.418 748 T N -1.252 113.165 114.554 -0.229 0.000 2.828 748 T HA 0.238 4.588 4.350 -0.000 0.000 0.290 748 T C -1.963 172.633 174.700 -0.175 0.000 1.019 748 T CA -1.457 60.549 62.100 -0.157 0.000 1.031 748 T CB 1.185 69.984 68.868 -0.115 0.000 1.001 748 T HN 0.324 nan 8.240 nan 0.000 0.531 749 P HA -0.069 nan 4.420 nan 0.000 0.218 749 P C 1.724 178.962 177.300 -0.103 0.000 1.148 749 P CA 0.876 63.916 63.100 -0.100 0.000 0.822 749 P CB -0.049 31.614 31.700 -0.062 0.000 0.784 750 E N -0.048 120.091 120.200 -0.102 0.000 2.058 750 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 750 E C 1.718 178.227 176.600 -0.152 0.000 0.997 750 E CA 1.763 58.100 56.400 -0.104 0.000 0.801 750 E CB -1.384 28.262 29.700 -0.089 0.000 0.746 750 E HN 0.290 nan 8.360 nan 0.000 0.450 751 D N -0.249 120.034 120.400 -0.195 0.000 2.133 751 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 751 D C 2.152 178.281 176.300 -0.286 0.000 0.997 751 D CA 1.685 55.525 54.000 -0.267 0.000 0.840 751 D CB -0.797 39.801 40.800 -0.335 0.000 0.947 751 D HN 0.461 nan 8.370 nan 0.000 0.452 752 C N 0.528 119.668 119.300 -0.267 0.000 2.432 752 C HA -0.024 4.436 4.460 -0.000 0.000 0.280 752 C C 2.301 177.312 174.990 0.036 0.000 1.353 752 C CA 0.206 59.127 59.018 -0.161 0.000 1.766 752 C CB -0.800 26.854 27.740 -0.143 0.000 1.924 752 C HN 0.325 nan 8.230 nan 0.000 0.509 753 R N 0.101 120.577 120.500 -0.039 0.000 2.297 753 R HA 0.113 4.453 4.340 -0.000 0.000 0.197 753 R C 1.402 177.625 176.300 -0.129 0.000 0.943 753 R CA 0.410 56.516 56.100 0.010 0.000 1.038 753 R CB 0.006 30.306 30.300 -0.000 0.000 0.957 753 R HN 0.537 nan 8.270 nan 0.000 0.484 754 R N -0.012 120.238 120.500 -0.417 0.000 2.549 754 R HA 0.134 4.474 4.340 -0.000 0.000 0.399 754 R C -0.380 175.125 176.300 -1.325 0.000 0.964 754 R CA 0.027 55.544 56.100 -0.972 0.000 1.173 754 R CB 1.339 31.362 30.300 -0.462 0.000 1.535 754 R HN 0.075 nan 8.270 nan 0.000 0.551 755 S N -0.340 114.919 115.700 -0.734 0.000 2.671 755 S HA 0.735 5.205 4.470 -0.000 0.000 0.277 755 S C -0.856 173.911 174.600 0.280 0.000 1.165 755 S CA -0.941 57.102 58.200 -0.262 0.000 0.822 755 S CB 1.607 64.666 63.200 -0.234 0.000 1.150 755 S HN 0.150 nan 8.310 nan 0.000 0.479 756 F N -1.000 119.037 119.950 0.146 0.000 2.650 756 F HA 0.888 5.415 4.527 -0.000 0.000 0.320 756 F C -1.548 174.190 175.800 -0.103 0.000 1.091 756 F CA -1.474 56.389 58.000 -0.227 0.000 0.962 756 F CB 0.854 39.429 39.000 -0.707 0.000 1.363 756 F HN 0.631 nan 8.300 nan 0.000 0.482 757 L N 2.153 123.352 121.223 -0.040 0.000 2.296 757 L HA 0.599 4.939 4.340 -0.000 0.000 0.286 757 L C -0.448 176.525 176.870 0.171 0.000 1.023 757 L CA -0.412 54.481 54.840 0.087 0.000 0.812 757 L CB 1.386 43.504 42.059 0.098 0.000 1.223 757 L HN 0.753 nan 8.230 nan 0.000 0.421 758 K N 4.977 125.483 120.400 0.176 0.000 2.156 758 K HA 0.784 5.104 4.320 -0.000 0.000 0.271 758 K C -1.112 175.527 176.600 0.065 0.000 0.995 758 K CA -0.341 56.038 56.287 0.155 0.000 0.890 758 K CB 0.942 33.563 32.500 0.202 0.000 1.073 758 K HN 0.564 nan 8.250 nan 0.000 0.454 759 L N 4.734 125.976 121.223 0.033 0.000 2.385 759 L HA 0.651 4.991 4.340 -0.000 0.000 0.273 759 L C -0.089 176.771 176.870 -0.017 0.000 0.990 759 L CA -0.596 54.239 54.840 -0.007 0.000 0.821 759 L CB 1.768 43.819 42.059 -0.013 0.000 1.279 759 L HN 0.746 nan 8.230 nan 0.000 0.412 760 I N 0.336 120.884 120.570 -0.037 0.000 2.785 760 I HA 0.784 4.954 4.170 -0.000 0.000 0.302 760 I C -1.515 174.567 176.117 -0.059 0.000 1.069 760 I CA -1.132 60.142 61.300 -0.043 0.000 1.045 760 I CB 2.408 40.384 38.000 -0.040 0.000 1.236 760 I HN 0.463 nan 8.210 nan 0.000 0.429 761 L N 4.452 125.639 121.223 -0.060 0.000 2.356 761 L HA 0.609 4.949 4.340 -0.000 0.000 0.277 761 L C -0.986 175.843 176.870 -0.068 0.000 0.996 761 L CA -0.063 54.742 54.840 -0.059 0.000 0.822 761 L CB 1.419 43.452 42.059 -0.043 0.000 1.256 761 L HN 0.662 nan 8.230 nan 0.000 0.413 762 K N 2.771 123.139 120.400 -0.053 0.000 2.316 762 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 762 K C -1.027 175.573 176.600 -0.000 0.000 0.934 762 K CA -0.906 55.357 56.287 -0.040 0.000 0.802 762 K CB 1.677 34.164 32.500 -0.021 0.000 1.171 762 K HN 0.760 nan 8.250 nan 0.000 0.426 763 D N 1.169 121.585 120.400 0.027 0.000 2.393 763 D HA 0.058 4.698 4.640 -0.000 0.000 0.246 763 D C 1.165 177.502 176.300 0.061 0.000 1.275 763 D CA -0.254 53.780 54.000 0.057 0.000 0.979 763 D CB 0.402 41.258 40.800 0.094 0.000 1.101 763 D HN 0.424 nan 8.370 nan 0.000 0.505 764 K N -0.278 120.155 120.400 0.056 0.000 2.218 764 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 764 K C 2.061 178.691 176.600 0.049 0.000 1.046 764 K CA 2.083 58.400 56.287 0.050 0.000 0.933 764 K CB -1.324 nan 32.500 nan 0.000 0.728 764 K HN 0.599 nan 8.250 nan 0.000 0.454 765 S N -2.079 113.656 115.700 0.059 0.000 2.527 765 S HA 0.337 4.807 4.470 -0.000 0.000 0.222 765 S C 1.784 176.425 174.600 0.068 0.000 0.985 765 S CA 1.055 59.288 58.200 0.056 0.000 0.921 765 S CB 0.016 63.248 63.200 0.053 0.000 0.772 765 S HN 1.672 nan 8.310 nan 0.000 0.529 766 G N 0.504 109.351 108.800 0.078 0.000 2.159 766 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 766 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 766 G C -0.104 174.849 174.900 0.088 0.000 0.986 766 G CA 0.133 45.274 45.100 0.069 0.000 0.651 766 G HN 0.895 nan 8.290 nan 0.000 0.523 767 H N 1.110 120.189 119.070 0.014 0.000 2.767 767 H HA 0.543 5.099 4.556 -0.000 0.000 0.316 767 H C 0.602 175.936 175.328 0.011 0.000 1.059 767 H CA 0.334 56.389 56.048 0.012 0.000 1.461 767 H CB 0.734 30.503 29.762 0.011 0.000 1.475 767 H HN 0.412 nan 8.280 nan 0.000 0.531 768 Q N 4.181 123.676 119.800 -0.509 0.000 2.286 768 Q HA 0.116 4.456 4.340 -0.000 0.000 0.267 768 Q C -0.293 175.357 176.000 -0.583 0.000 1.028 768 Q CA -0.245 55.308 55.803 -0.417 0.000 0.901 768 Q CB 0.687 29.288 28.738 -0.229 0.000 1.183 768 Q HN 0.721 nan 8.270 nan 0.000 0.392 769 V N 3.048 122.791 119.914 -0.284 0.000 3.263 769 V HA 0.362 4.482 4.120 -0.000 0.000 0.248 769 V C 0.111 176.159 176.094 -0.077 0.000 1.145 769 V CA 1.005 63.214 62.300 -0.152 0.000 1.107 769 V CB 0.700 32.489 31.823 -0.057 0.000 0.797 769 V HN 0.815 nan 8.190 nan 0.000 0.467 770 A N 0.469 123.246 122.820 -0.073 0.000 2.612 770 A HA 0.783 5.103 4.320 -0.000 0.000 0.293 770 A C -1.189 176.371 177.584 -0.040 0.000 1.075 770 A CA -0.496 51.518 52.037 -0.038 0.000 0.680 770 A CB 1.626 20.616 19.000 -0.017 0.000 1.279 770 A HN 0.325 nan 8.150 nan 0.000 0.411 771 E N 0.140 120.325 120.200 -0.025 0.000 2.390 771 E HA 0.821 5.171 4.350 -0.000 0.000 0.277 771 E C -1.181 175.414 176.600 -0.008 0.000 0.939 771 E CA -0.760 55.629 56.400 -0.020 0.000 0.769 771 E CB 2.081 31.767 29.700 -0.024 0.000 1.251 771 E HN 0.475 nan 8.360 nan 0.000 0.450 772 S N 0.323 116.022 115.700 -0.002 0.000 2.607 772 S HA 0.579 5.049 4.470 -0.000 0.000 0.273 772 S C -1.350 173.254 174.600 0.007 0.000 1.148 772 S CA -0.731 57.472 58.200 0.006 0.000 0.833 772 S CB 1.970 65.179 63.200 0.016 0.000 1.130 772 S HN 0.430 nan 8.310 nan 0.000 0.470 773 V N 1.920 121.833 119.914 -0.002 0.000 2.656 773 V HA 0.535 4.655 4.120 -0.000 0.000 0.307 773 V C -1.102 174.965 176.094 -0.044 0.000 1.051 773 V CA -0.582 61.683 62.300 -0.059 0.000 0.893 773 V CB 1.729 33.449 31.823 -0.171 0.000 0.999 773 V HN 0.966 nan 8.190 nan 0.000 0.426 774 H N 3.541 122.448 119.070 -0.272 0.000 2.589 774 H HA 0.694 5.250 4.556 -0.000 0.000 0.351 774 H C -1.561 173.378 175.328 -0.648 0.000 1.074 774 H CA -0.563 55.298 56.048 -0.311 0.000 1.203 774 H CB 1.338 30.943 29.762 -0.261 0.000 1.558 774 H HN 0.438 nan 8.280 nan 0.000 0.522 775 F N 4.391 123.861 119.950 -0.799 0.000 2.425 775 F HA 0.242 4.769 4.527 -0.000 0.000 0.331 775 F C 0.175 175.451 175.800 -0.874 0.000 1.085 775 F CA -0.578 57.049 58.000 -0.621 0.000 1.028 775 F CB 0.932 39.782 39.000 -0.250 0.000 1.177 775 F HN 0.576 nan 8.300 nan 0.000 0.487 776 F N 0.620 120.537 119.950 -0.055 0.000 2.749 776 F HA 0.290 4.817 4.527 0.000 0.000 0.300 776 F C 0.811 176.609 175.800 -0.003 0.000 1.103 776 F CA 0.034 58.014 58.000 -0.033 0.000 1.342 776 F CB -0.002 38.981 39.000 -0.028 0.000 1.098 776 F HN 0.145 nan 8.300 nan 0.000 0.586 777 R N 0.216 120.814 120.500 0.163 0.000 2.808 777 R HA 0.359 4.699 4.340 -0.000 0.000 0.272 777 R C -0.368 175.926 176.300 -0.011 0.000 0.995 777 R CA -1.051 55.097 56.100 0.080 0.000 0.917 777 R CB 1.468 31.826 30.300 0.096 0.000 1.217 777 R HN -0.000 nan 8.270 nan 0.000 0.471 778 K N 0.303 120.657 120.400 -0.077 0.000 2.414 778 K HA 0.033 4.353 4.320 -0.000 0.000 0.272 778 K C 0.976 177.441 176.600 -0.226 0.000 0.993 778 K CA 0.236 56.410 56.287 -0.189 0.000 0.964 778 K CB 0.487 32.867 32.500 -0.200 0.000 0.925 778 K HN 0.428 nan 8.250 nan 0.000 0.487 779 T N 2.292 116.610 114.554 -0.394 0.000 2.720 779 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 779 T C 1.601 176.159 174.700 -0.238 0.000 1.037 779 T CA 1.840 63.722 62.100 -0.364 0.000 1.144 779 T CB -0.120 68.448 68.868 -0.501 0.000 0.864 779 T HN 0.644 nan 8.240 nan 0.000 0.444 780 K N 0.983 121.205 120.400 -0.297 0.000 2.360 780 K HA -0.108 4.212 4.320 -0.000 0.000 0.201 780 K C 1.066 177.579 176.600 -0.145 0.000 1.046 780 K CA 1.573 57.732 56.287 -0.214 0.000 0.940 780 K CB -0.010 32.367 32.500 -0.205 0.000 0.748 780 K HN 0.201 nan 8.250 nan 0.000 0.465 781 D N 0.800 121.138 120.400 -0.102 0.000 2.360 781 D HA 0.120 4.760 4.640 -0.000 0.000 0.210 781 D C 0.287 176.606 176.300 0.032 0.000 1.047 781 D CA 0.144 54.120 54.000 -0.039 0.000 0.854 781 D CB 0.211 40.989 40.800 -0.036 0.000 0.936 781 D HN 0.186 nan 8.370 nan 0.000 0.514 782 L N 1.484 122.748 121.223 0.069 0.000 2.380 782 L HA 0.155 4.495 4.340 -0.000 0.000 0.273 782 L C 0.750 177.771 176.870 0.251 0.000 1.138 782 L CA -0.196 54.777 54.840 0.222 0.000 0.832 782 L CB 0.758 42.963 42.059 0.244 0.000 1.124 782 L HN -0.284 nan 8.230 nan 0.000 0.454 783 Q N 4.860 124.850 119.800 0.317 0.000 2.837 783 Q HA 0.273 4.613 4.340 -0.000 0.000 0.235 783 Q C -0.758 175.501 176.000 0.433 0.000 1.348 783 Q CA -0.089 55.881 55.803 0.280 0.000 0.990 783 Q CB 0.077 28.908 28.738 0.155 0.000 1.570 783 Q HN 0.524 nan 8.270 nan 0.000 0.575 784 L N 4.409 125.832 121.223 0.333 0.000 2.367 784 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 784 L C -1.727 175.258 176.870 0.191 0.000 1.129 784 L CA -1.738 53.237 54.840 0.224 0.000 0.839 784 L CB 0.098 42.244 42.059 0.145 0.000 1.133 784 L HN 0.230 nan 8.230 nan 0.000 0.453 785 P HA 0.200 nan 4.420 nan 0.000 0.276 785 P C -2.519 174.822 177.300 0.068 0.000 1.244 785 P CA -1.876 61.296 63.100 0.120 0.000 0.801 785 P CB 0.201 31.978 31.700 0.128 0.000 1.006 786 P HA 0.017 nan 4.420 nan 0.000 0.231 786 P C 0.327 177.648 177.300 0.035 0.000 1.756 786 P CA 0.183 63.306 63.100 0.039 0.000 0.990 786 P CB -0.804 30.910 31.700 0.023 0.000 1.973 787 T N 0.284 114.850 114.554 0.020 0.000 2.930 787 T HA 0.074 4.424 4.350 -0.000 0.000 0.306 787 T C 0.130 174.808 174.700 -0.037 0.000 1.045 787 T CA 0.121 62.191 62.100 -0.049 0.000 1.134 787 T CB 0.033 68.795 68.868 -0.177 0.000 0.961 787 T HN 0.102 nan 8.240 nan 0.000 0.545 788 S N 3.888 119.569 115.700 -0.032 0.000 2.410 788 S HA 0.468 4.938 4.470 -0.000 0.000 0.304 788 S C -0.547 174.037 174.600 -0.026 0.000 1.095 788 S CA -0.824 57.375 58.200 -0.002 0.000 1.089 788 S CB 0.029 63.245 63.200 0.027 0.000 0.968 788 S HN 0.603 nan 8.310 nan 0.000 0.480 789 V N 6.129 126.030 119.914 -0.022 0.000 2.350 789 V HA 0.494 4.614 4.120 -0.000 0.000 0.276 789 V C 0.337 176.482 176.094 0.086 0.000 1.028 789 V CA -0.526 61.765 62.300 -0.015 0.000 0.860 789 V CB 1.083 32.859 31.823 -0.078 0.000 0.990 789 V HN 0.954 nan 8.190 nan 0.000 0.453 790 S N 5.376 121.158 115.700 0.137 0.000 2.578 790 S HA 0.892 5.362 4.470 -0.000 0.000 0.301 790 S C -0.968 173.773 174.600 0.234 0.000 1.091 790 S CA -0.678 57.614 58.200 0.153 0.000 1.032 790 S CB 1.896 65.171 63.200 0.125 0.000 1.064 790 S HN 0.852 nan 8.310 nan 0.000 0.508 791 Y N -1.995 118.327 120.300 0.036 0.000 2.513 791 Y HA 0.781 5.331 4.550 -0.000 0.000 0.340 791 Y C -0.654 175.253 175.900 0.011 0.000 1.055 791 Y CA -1.164 56.954 58.100 0.029 0.000 1.020 791 Y CB 0.501 38.967 38.460 0.010 0.000 1.301 791 Y HN 0.886 nan 8.280 nan 0.000 0.453 792 Q N 3.753 123.582 119.800 0.048 0.000 2.266 792 Q HA 0.779 5.119 4.340 -0.000 0.000 0.261 792 Q C -1.462 174.598 176.000 0.099 0.000 0.985 792 Q CA -0.893 54.891 55.803 -0.033 0.000 0.873 792 Q CB 2.497 31.219 28.738 -0.026 0.000 1.306 792 Q HN 0.947 nan 8.270 nan 0.000 0.447 793 M N 1.573 121.208 119.600 0.057 0.000 2.259 793 M HA 0.477 4.956 4.480 -0.000 0.000 0.304 793 M C -1.121 175.201 176.300 0.036 0.000 1.019 793 M CA -0.531 54.832 55.300 0.104 0.000 0.922 793 M CB 1.709 34.419 32.600 0.183 0.000 1.600 793 M HN 0.654 nan 8.290 nan 0.000 0.433 794 K N 3.902 124.318 120.400 0.028 0.000 2.292 794 K HA 0.291 4.611 4.320 -0.000 0.000 0.270 794 K C -1.114 175.487 176.600 0.002 0.000 1.062 794 K CA -0.306 55.985 56.287 0.007 0.000 0.916 794 K CB 1.161 33.663 32.500 0.003 0.000 1.166 794 K HN 0.707 nan 8.250 nan 0.000 0.458 795 Q N 2.829 122.628 119.800 -0.003 0.000 2.271 795 Q HA 0.271 4.611 4.340 -0.000 0.000 0.258 795 Q C -0.939 175.052 176.000 -0.014 0.000 0.936 795 Q CA -0.335 55.462 55.803 -0.010 0.000 0.909 795 Q CB 1.845 30.578 28.738 -0.008 0.000 1.253 795 Q HN 0.582 nan 8.270 nan 0.000 0.440 796 T N 1.596 116.138 114.554 -0.020 0.000 2.742 796 T HA 0.284 4.634 4.350 -0.000 0.000 0.282 796 T C -1.226 173.461 174.700 -0.022 0.000 1.025 796 T CA -0.719 61.370 62.100 -0.019 0.000 1.020 796 T CB 1.020 69.877 68.868 -0.017 0.000 1.317 796 T HN 0.604 nan 8.240 nan 0.000 0.538 797 D N 0.623 121.011 120.400 -0.019 0.000 2.401 797 D HA 0.391 5.031 4.640 -0.000 0.000 0.254 797 D C 1.285 177.570 176.300 -0.024 0.000 1.192 797 D CA 1.649 55.638 54.000 -0.019 0.000 0.885 797 D CB 0.628 41.419 40.800 -0.014 0.000 1.147 797 D HN 0.963 nan 8.370 nan 0.000 0.478 798 G N 2.710 111.492 108.800 -0.030 0.000 2.168 798 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 798 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 798 G C 0.496 175.365 174.900 -0.052 0.000 0.977 798 G CA 0.807 45.885 45.100 -0.038 0.000 0.659 798 G HN 0.590 nan 8.290 nan 0.000 0.533 799 K N -0.934 119.434 120.400 -0.053 0.000 2.543 799 K HA 0.590 4.910 4.320 -0.000 0.000 0.255 799 K C -1.071 175.494 176.600 -0.058 0.000 0.934 799 K CA -0.616 55.634 56.287 -0.062 0.000 0.810 799 K CB 1.363 33.835 32.500 -0.046 0.000 1.315 799 K HN 0.180 nan 8.250 nan 0.000 0.433 800 C N 2.643 121.898 119.300 -0.075 0.000 2.455 800 C HA 0.475 4.935 4.460 -0.000 0.000 0.320 800 C C -1.009 173.952 174.990 -0.047 0.000 1.226 800 C CA -0.758 58.227 59.018 -0.055 0.000 1.569 800 C CB 1.235 28.936 27.740 -0.066 0.000 2.200 800 C HN 0.774 nan 8.230 nan 0.000 0.491 801 E N 2.367 122.556 120.200 -0.018 0.000 2.145 801 E HA 0.562 4.912 4.350 -0.000 0.000 0.270 801 E C -1.330 175.285 176.600 0.025 0.000 0.906 801 E CA -0.548 55.849 56.400 -0.004 0.000 0.761 801 E CB 1.485 31.184 29.700 -0.002 0.000 1.116 801 E HN 0.340 nan 8.360 nan 0.000 0.408 802 L N 1.946 123.190 121.223 0.034 0.000 2.325 802 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 802 L C 0.156 177.075 176.870 0.082 0.000 1.023 802 L CA -0.374 54.517 54.840 0.085 0.000 0.811 802 L CB 1.873 43.967 42.059 0.059 0.000 1.249 802 L HN 0.402 nan 8.230 nan 0.000 0.431 803 T N 3.391 118.013 114.554 0.113 0.000 2.786 803 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 803 T C -0.466 174.331 174.700 0.162 0.000 0.992 803 T CA -0.349 61.813 62.100 0.104 0.000 0.954 803 T CB 0.755 69.666 68.868 0.071 0.000 0.934 803 T HN 0.138 nan 8.240 nan 0.000 0.440 804 L N 3.705 125.024 121.223 0.160 0.000 2.334 804 L HA 0.763 5.103 4.340 -0.000 0.000 0.275 804 L C -0.685 176.328 176.870 0.239 0.000 1.036 804 L CA -0.638 54.318 54.840 0.194 0.000 0.807 804 L CB 1.193 43.346 42.059 0.158 0.000 1.231 804 L HN 0.632 nan 8.230 nan 0.000 0.438 805 F N 1.396 121.378 119.950 0.054 0.000 2.608 805 F HA 0.694 5.221 4.527 -0.000 0.000 0.309 805 F C -0.731 175.077 175.800 0.014 0.000 1.103 805 F CA -0.208 57.809 58.000 0.029 0.000 0.954 805 F CB 2.066 41.078 39.000 0.021 0.000 1.267 805 F HN 0.354 nan 8.300 nan 0.000 0.444 806 S N 1.985 117.113 115.700 -0.953 0.000 2.546 806 S HA 0.359 4.829 4.470 -0.000 0.000 0.272 806 S C 0.203 174.215 174.600 -0.979 0.000 1.140 806 S CA -0.022 57.747 58.200 -0.718 0.000 0.920 806 S CB 1.505 64.489 63.200 -0.359 0.000 1.083 806 S HN 0.865 nan 8.310 nan 0.000 0.476 807 S N 3.866 119.257 115.700 -0.515 0.000 2.515 807 S HA 0.223 4.693 4.470 -0.000 0.000 0.231 807 S C 0.613 175.142 174.600 -0.119 0.000 0.987 807 S CA 0.368 58.437 58.200 -0.220 0.000 0.936 807 S CB -0.391 62.837 63.200 0.046 0.000 0.766 807 S HN 0.659 nan 8.310 nan 0.000 0.528 808 M N 0.482 120.003 119.600 -0.131 0.000 2.690 808 M HA 0.476 4.956 4.480 -0.000 0.000 0.302 808 M C -1.036 175.208 176.300 -0.093 0.000 1.234 808 M CA -1.107 54.168 55.300 -0.041 0.000 0.853 808 M CB 1.663 34.267 32.600 0.007 0.000 1.748 808 M HN 0.060 nan 8.290 nan 0.000 0.469 809 L N 2.195 123.399 121.223 -0.032 0.000 2.601 809 L HA 0.289 4.629 4.340 -0.000 0.000 0.277 809 L C -0.476 176.251 176.870 -0.238 0.000 1.219 809 L CA 0.694 55.448 54.840 -0.143 0.000 0.915 809 L CB 0.125 42.024 42.059 -0.266 0.000 1.160 809 L HN 0.740 nan 8.230 nan 0.000 0.494 810 A N 5.248 127.906 122.820 -0.271 0.000 2.318 810 A HA 0.594 4.914 4.320 -0.000 0.000 0.317 810 A C -0.576 176.873 177.584 -0.226 0.000 1.159 810 A CA -0.835 50.984 52.037 -0.363 0.000 0.799 810 A CB 0.810 19.460 19.000 -0.583 0.000 1.194 810 A HN 0.663 nan 8.150 nan 0.000 0.479 811 K N 2.310 122.622 120.400 -0.146 0.000 2.227 811 K HA 0.347 4.667 4.320 -0.000 0.000 0.280 811 K C -0.542 176.030 176.600 -0.047 0.000 1.041 811 K CA 0.050 56.248 56.287 -0.148 0.000 0.905 811 K CB 0.264 32.646 32.500 -0.196 0.000 1.068 811 K HN 0.673 nan 8.250 nan 0.000 0.470 812 D N 3.403 123.752 120.400 -0.085 0.000 2.697 812 D HA -0.212 4.428 4.640 -0.000 0.000 0.238 812 D C -0.291 176.002 176.300 -0.012 0.000 1.152 812 D CA 0.565 54.551 54.000 -0.023 0.000 0.666 812 D CB -0.549 40.254 40.800 0.005 0.000 1.037 812 D HN 0.430 nan 8.370 nan 0.000 0.423 813 I N 0.743 121.149 120.570 -0.273 0.000 2.683 813 I HA -0.016 4.154 4.170 -0.000 0.000 0.286 813 I C 0.637 176.421 176.117 -0.555 0.000 1.175 813 I CA 0.442 61.488 61.300 -0.423 0.000 1.429 813 I CB 0.070 37.670 38.000 -0.667 0.000 1.371 813 I HN 0.033 nan 8.210 nan 0.000 0.569 814 F N 8.634 128.160 119.950 -0.707 0.000 2.403 814 F HA 0.480 5.007 4.527 -0.000 0.000 0.355 814 F C -0.190 175.163 175.800 -0.744 0.000 1.119 814 F CA -1.502 55.910 58.000 -0.980 0.000 1.007 814 F CB 0.675 39.144 39.000 -0.886 0.000 1.194 814 F HN 0.205 nan 8.300 nan 0.000 0.443 815 I N 5.740 125.791 120.570 -0.866 0.000 2.294 815 I HA 0.187 4.357 4.170 -0.000 0.000 0.295 815 I C 0.027 175.586 176.117 -0.930 0.000 1.098 815 I CA -0.065 60.800 61.300 -0.724 0.000 1.277 815 I CB 0.488 38.283 38.000 -0.341 0.000 1.434 815 I HN 0.556 nan 8.210 nan 0.000 0.498 816 E N 6.220 125.789 120.200 -1.051 0.000 2.174 816 E HA 0.432 4.782 4.350 -0.000 0.000 0.282 816 E C -0.603 175.772 176.600 -0.375 0.000 0.992 816 E CA -0.513 55.311 56.400 -0.960 0.000 0.803 816 E CB 1.184 30.234 29.700 -1.083 0.000 1.090 816 E HN 0.640 nan 8.360 nan 0.000 0.396 817 T N 1.075 115.538 114.554 -0.151 0.000 2.916 817 T HA 0.474 4.824 4.350 -0.000 0.000 0.292 817 T C -2.179 172.500 174.700 -0.035 0.000 1.055 817 T CA -1.720 60.333 62.100 -0.079 0.000 1.009 817 T CB 1.741 70.575 68.868 -0.056 0.000 1.118 817 T HN 0.275 nan 8.240 nan 0.000 0.497 818 P HA 0.255 nan 4.420 nan 0.000 0.251 818 P C 0.135 177.426 177.300 -0.015 0.000 1.223 818 P CA -0.060 63.028 63.100 -0.020 0.000 0.796 818 P CB 0.117 31.802 31.700 -0.025 0.000 1.068 819 L N 1.311 122.524 121.223 -0.016 0.000 2.325 819 L HA 0.154 4.494 4.340 -0.000 0.000 0.284 819 L C 0.828 177.700 176.870 0.002 0.000 1.089 819 L CA -0.515 54.314 54.840 -0.019 0.000 0.836 819 L CB 0.060 42.098 42.059 -0.036 0.000 1.184 819 L HN -0.078 nan 8.230 nan 0.000 0.444 820 Q N 2.618 122.407 119.800 -0.018 0.000 2.283 820 Q HA 0.000 4.340 4.340 -0.000 0.000 0.301 820 Q C 1.258 177.287 176.000 0.048 0.000 1.063 820 Q CA 1.106 56.906 55.803 -0.005 0.000 0.952 820 Q CB 0.670 29.344 28.738 -0.106 0.000 1.166 820 Q HN 0.940 nan 8.270 nan 0.000 0.381 821 G N 1.637 110.499 108.800 0.104 0.000 2.168 821 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 821 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 821 G C 0.413 175.344 174.900 0.051 0.000 0.977 821 G CA 0.240 45.398 45.100 0.097 0.000 0.659 821 G HN 0.951 nan 8.290 nan 0.000 0.533 822 A N 0.041 122.882 122.820 0.036 0.000 2.540 822 A HA 0.569 4.889 4.320 -0.000 0.000 0.239 822 A C 0.872 178.419 177.584 -0.062 0.000 1.061 822 A CA 0.548 52.548 52.037 -0.063 0.000 0.758 822 A CB 0.201 19.123 19.000 -0.131 0.000 0.991 822 A HN 0.582 nan 8.150 nan 0.000 0.502 823 R N 0.741 121.137 120.500 -0.174 0.000 2.474 823 R HA 0.532 4.872 4.340 -0.000 0.000 0.295 823 R C -1.572 174.580 176.300 -0.246 0.000 0.980 823 R CA -0.207 55.788 56.100 -0.176 0.000 0.934 823 R CB 1.291 31.480 30.300 -0.186 0.000 1.101 823 R HN 0.758 nan 8.270 nan 0.000 0.469 824 Y N -0.430 119.770 120.300 -0.167 0.000 2.446 824 Y HA 0.078 4.628 4.550 -0.000 0.000 0.345 824 Y C 1.487 177.357 175.900 -0.050 0.000 0.984 824 Y CA -0.651 57.413 58.100 -0.058 0.000 1.058 824 Y CB 2.279 40.760 38.460 0.036 0.000 1.220 824 Y HN 0.718 nan 8.280 nan 0.000 0.455 825 S N -0.237 115.534 115.700 0.118 0.000 2.382 825 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 825 S C 0.109 174.806 174.600 0.161 0.000 1.027 825 S CA 1.463 59.714 58.200 0.086 0.000 0.991 825 S CB 0.058 63.280 63.200 0.038 0.000 0.823 825 S HN 0.728 nan 8.310 nan 0.000 0.469 826 D N -0.519 120.003 120.400 0.203 0.000 2.623 826 D HA 0.635 5.275 4.640 -0.000 0.000 0.241 826 D C -1.571 174.782 176.300 0.089 0.000 1.241 826 D CA -0.479 53.632 54.000 0.185 0.000 0.788 826 D CB 1.906 42.723 40.800 0.028 0.000 1.413 826 D HN 0.091 nan 8.370 nan 0.000 0.429 827 N N 0.246 118.773 118.700 -0.289 0.000 3.185 827 N HA 0.324 5.064 4.740 -0.000 0.000 0.238 827 N C -1.209 173.979 175.510 -0.537 0.000 1.451 827 N CA -0.465 52.204 53.050 -0.634 0.000 0.888 827 N CB 0.727 38.532 38.487 -1.137 0.000 1.413 827 N HN 0.429 nan 8.380 nan 0.000 0.511 828 F N -0.134 119.466 119.950 -0.583 0.000 2.969 828 F HA -0.213 4.314 4.527 -0.000 0.000 0.273 828 F C -0.526 175.128 175.800 -0.244 0.000 0.986 828 F CA 0.677 58.447 58.000 -0.383 0.000 0.926 828 F CB -1.778 37.046 39.000 -0.294 0.000 0.887 828 F HN 0.335 nan 8.300 nan 0.000 0.816 829 F N -2.107 117.811 119.950 -0.052 0.000 2.593 829 F HA 0.756 5.283 4.527 -0.000 0.000 0.320 829 F C -0.067 175.691 175.800 -0.070 0.000 1.060 829 F CA -2.038 55.930 58.000 -0.054 0.000 0.940 829 F CB 0.796 39.751 39.000 -0.074 0.000 1.268 829 F HN -0.181 nan 8.300 nan 0.000 0.475 830 D N 2.254 122.768 120.400 0.190 0.000 2.351 830 D HA 0.238 4.878 4.640 -0.000 0.000 0.251 830 D C -0.758 175.635 176.300 0.155 0.000 1.137 830 D CA 0.032 54.071 54.000 0.064 0.000 0.879 830 D CB 2.124 42.936 40.800 0.020 0.000 1.181 830 D HN 0.497 nan 8.370 nan 0.000 0.448 831 L N 3.891 125.144 121.223 0.051 0.000 2.261 831 L HA 0.249 4.589 4.340 -0.000 0.000 0.289 831 L C -0.680 176.134 176.870 -0.093 0.000 1.059 831 L CA -0.333 54.533 54.840 0.044 0.000 0.816 831 L CB 0.400 42.473 42.059 0.023 0.000 1.191 831 L HN 0.222 nan 8.230 nan 0.000 0.431 832 L N 7.194 128.359 121.223 -0.097 0.000 2.395 832 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 832 L C -1.828 175.009 176.870 -0.055 0.000 1.133 832 L CA -2.030 52.746 54.840 -0.107 0.000 0.812 832 L CB 0.516 42.518 42.059 -0.096 0.000 1.125 832 L HN 0.494 nan 8.230 nan 0.000 0.452 833 P HA -0.029 nan 4.420 nan 0.000 0.260 833 P C 0.804 178.078 177.300 -0.043 0.000 1.185 833 P CA 0.727 63.814 63.100 -0.022 0.000 0.763 833 P CB 0.693 32.460 31.700 0.112 0.000 0.776 834 G N 2.741 111.409 108.800 -0.220 0.000 2.189 834 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 834 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 834 G C -0.034 174.932 174.900 0.109 0.000 0.975 834 G CA -0.050 45.037 45.100 -0.023 0.000 0.644 834 G HN 0.611 nan 8.290 nan 0.000 0.537 835 E N 0.978 121.184 120.200 0.010 0.000 2.063 835 E HA 0.397 4.747 4.350 -0.000 0.000 0.265 835 E C 0.506 177.145 176.600 0.064 0.000 0.919 835 E CA -0.700 55.736 56.400 0.060 0.000 0.756 835 E CB 1.048 30.766 29.700 0.031 0.000 1.120 835 E HN 0.207 nan 8.360 nan 0.000 0.414 836 R N 2.450 123.053 120.500 0.173 0.000 2.697 836 R HA 0.026 4.366 4.340 -0.000 0.000 0.265 836 R C -0.341 175.997 176.300 0.064 0.000 1.009 836 R CA 0.227 56.443 56.100 0.194 0.000 1.099 836 R CB 0.336 30.747 30.300 0.185 0.000 0.965 836 R HN 0.447 nan 8.270 nan 0.000 0.428 837 K N 1.826 122.257 120.400 0.052 0.000 2.578 837 K HA 0.336 4.656 4.320 -0.000 0.000 0.250 837 K C -1.175 175.415 176.600 -0.016 0.000 0.955 837 K CA -0.428 55.832 56.287 -0.044 0.000 0.825 837 K CB 1.353 33.773 32.500 -0.134 0.000 1.151 837 K HN 0.553 nan 8.250 nan 0.000 0.432 838 K N 3.646 124.021 120.400 -0.042 0.000 2.227 838 K HA 0.430 4.750 4.320 -0.000 0.000 0.280 838 K C -1.174 175.407 176.600 -0.032 0.000 1.041 838 K CA -0.727 55.551 56.287 -0.014 0.000 0.905 838 K CB 1.089 33.583 32.500 -0.010 0.000 1.068 838 K HN 0.402 nan 8.250 nan 0.000 0.470 839 V N 6.380 126.300 119.914 0.011 0.000 2.495 839 V HA 0.410 4.530 4.120 -0.000 0.000 0.298 839 V C -0.219 175.884 176.094 0.015 0.000 1.031 839 V CA -0.862 61.459 62.300 0.036 0.000 0.871 839 V CB 1.579 33.477 31.823 0.125 0.000 0.988 839 V HN 0.677 nan 8.190 nan 0.000 0.432 840 I N 5.589 126.160 120.570 0.001 0.000 2.359 840 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 840 I C -0.538 175.516 176.117 -0.104 0.000 0.987 840 I CA -0.331 60.944 61.300 -0.042 0.000 1.225 840 I CB 1.562 39.540 38.000 -0.036 0.000 1.366 840 I HN 0.410 nan 8.210 nan 0.000 0.466 841 I N 5.217 125.676 120.570 -0.185 0.000 2.406 841 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 841 I C -0.053 175.917 176.117 -0.245 0.000 0.999 841 I CA -0.396 60.688 61.300 -0.360 0.000 1.124 841 I CB 1.970 39.677 38.000 -0.489 0.000 1.289 841 I HN 0.576 nan 8.210 nan 0.000 0.441 842 T N 1.583 115.995 114.554 -0.236 0.000 2.863 842 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 842 T C -0.511 174.103 174.700 -0.143 0.000 1.009 842 T CA -0.830 61.180 62.100 -0.150 0.000 0.989 842 T CB 1.952 70.759 68.868 -0.103 0.000 1.004 842 T HN 0.550 nan 8.240 nan 0.000 0.455 843 S N 2.091 117.731 115.700 -0.101 0.000 2.548 843 S HA 0.506 4.976 4.470 -0.000 0.000 0.278 843 S C -2.528 172.044 174.600 -0.046 0.000 1.150 843 S CA -1.058 57.099 58.200 -0.072 0.000 0.907 843 S CB 1.655 64.808 63.200 -0.080 0.000 1.108 843 S HN 0.447 nan 8.310 nan 0.000 0.459 844 P HA 0.041 nan 4.420 nan 0.000 0.223 844 P C 0.720 178.010 177.300 -0.016 0.000 1.144 844 P CA 0.801 63.891 63.100 -0.016 0.000 0.783 844 P CB 0.050 31.748 31.700 -0.004 0.000 0.771 845 R N -0.898 119.589 120.500 -0.021 0.000 2.317 845 R HA 0.186 4.526 4.340 -0.000 0.000 0.208 845 R C 0.438 176.722 176.300 -0.028 0.000 0.914 845 R CA -0.046 56.042 56.100 -0.020 0.000 1.060 845 R CB -0.197 30.093 30.300 -0.017 0.000 1.015 845 R HN 0.253 nan 8.270 nan 0.000 0.498 846 I N 2.868 123.416 120.570 -0.037 0.000 2.311 846 I HA 0.063 4.233 4.170 -0.000 0.000 0.297 846 I C 0.558 176.658 176.117 -0.028 0.000 1.131 846 I CA -0.165 61.112 61.300 -0.039 0.000 1.289 846 I CB 0.411 38.378 38.000 -0.055 0.000 1.446 846 I HN 0.094 nan 8.210 nan 0.000 0.524 847 K N 4.225 124.613 120.400 -0.020 0.000 3.908 847 K HA -0.194 4.126 4.320 -0.000 0.000 0.279 847 K C 0.332 176.921 176.600 -0.017 0.000 0.889 847 K CA 0.875 57.152 56.287 -0.017 0.000 0.974 847 K CB -1.127 31.365 32.500 -0.013 0.000 1.646 847 K HN 0.520 nan 8.250 nan 0.000 0.435 848 K N 1.330 121.721 120.400 -0.016 0.000 2.447 848 K HA 0.435 4.755 4.320 -0.000 0.000 0.281 848 K C 1.779 178.372 176.600 -0.011 0.000 1.031 848 K CA 1.284 57.563 56.287 -0.014 0.000 1.019 848 K CB -0.015 32.478 32.500 -0.013 0.000 0.918 848 K HN 2.188 nan 8.250 nan 0.000 0.476 849 G N 1.235 110.028 108.800 -0.011 0.000 2.259 849 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 849 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 849 G C -0.101 174.793 174.900 -0.009 0.000 1.001 849 G CA 0.170 45.265 45.100 -0.010 0.000 0.627 849 G HN 0.845 nan 8.290 nan 0.000 0.501 850 E N 0.914 121.108 120.200 -0.011 0.000 2.149 850 E HA 0.495 4.845 4.350 -0.000 0.000 0.255 850 E C -0.091 176.501 176.600 -0.012 0.000 0.888 850 E CA -0.262 56.132 56.400 -0.011 0.000 0.742 850 E CB 1.118 30.812 29.700 -0.010 0.000 1.164 850 E HN 0.498 nan 8.360 nan 0.000 0.422 851 E N 2.966 123.161 120.200 -0.009 0.000 2.415 851 E HA -0.006 4.344 4.350 -0.000 0.000 0.263 851 E C -0.200 176.395 176.600 -0.007 0.000 0.995 851 E CA -0.361 56.036 56.400 -0.004 0.000 0.915 851 E CB 0.482 30.183 29.700 0.001 0.000 0.951 851 E HN 0.397 nan 8.360 nan 0.000 0.449 852 L N 7.956 129.173 121.223 -0.011 0.000 2.433 852 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 852 L C -2.302 174.557 176.870 -0.018 0.000 1.128 852 L CA -1.440 53.384 54.840 -0.026 0.000 0.875 852 L CB 0.430 42.460 42.059 -0.049 0.000 1.171 852 L HN 0.431 nan 8.230 nan 0.000 0.463 853 P HA 0.111 nan 4.420 nan 0.000 0.264 853 P C -1.254 176.005 177.300 -0.069 0.000 1.193 853 P CA 0.070 63.152 63.100 -0.030 0.000 0.763 853 P CB 0.659 32.339 31.700 -0.034 0.000 0.810 854 V N 3.549 123.416 119.914 -0.078 0.000 2.623 854 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 854 V C -0.332 175.644 176.094 -0.196 0.000 1.054 854 V CA -0.487 61.700 62.300 -0.190 0.000 0.882 854 V CB 1.997 33.627 31.823 -0.321 0.000 1.002 854 V HN 0.501 nan 8.190 nan 0.000 0.424 855 N N 4.370 122.903 118.700 -0.279 0.000 2.491 855 N HA 0.534 5.274 4.740 -0.000 0.000 0.274 855 N C -1.221 174.048 175.510 -0.402 0.000 1.023 855 N CA -0.375 52.510 53.050 -0.274 0.000 0.902 855 N CB 1.158 39.500 38.487 -0.242 0.000 1.267 855 N HN 0.634 nan 8.380 nan 0.000 0.503 856 I N 3.088 123.459 120.570 -0.333 0.000 2.315 856 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 856 I C 0.183 176.103 176.117 -0.330 0.000 1.006 856 I CA -0.584 60.497 61.300 -0.365 0.000 1.265 856 I CB 1.005 38.845 38.000 -0.267 0.000 1.387 856 I HN 0.286 nan 8.210 nan 0.000 0.475 857 K N 5.563 125.680 120.400 -0.472 0.000 2.208 857 K HA 0.682 5.002 4.320 -0.000 0.000 0.247 857 K C -1.003 175.313 176.600 -0.473 0.000 0.953 857 K CA -0.862 55.072 56.287 -0.589 0.000 0.837 857 K CB 2.009 33.928 32.500 -0.967 0.000 1.131 857 K HN 0.680 nan 8.250 nan 0.000 0.431 858 H N -1.669 117.174 119.070 -0.378 0.000 3.017 858 H HA 0.306 4.862 4.556 -0.000 0.000 0.346 858 H C 0.394 175.751 175.328 0.048 0.000 1.286 858 H CA -0.981 54.988 56.048 -0.132 0.000 1.120 858 H CB 0.459 30.131 29.762 -0.150 0.000 1.860 858 H HN 0.270 nan 8.280 nan 0.000 0.542 859 I N 0.222 120.926 120.570 0.224 0.000 2.163 859 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 859 I C 2.478 178.617 176.117 0.037 0.000 1.085 859 I CA 1.389 62.811 61.300 0.203 0.000 1.347 859 I CB -0.815 37.294 38.000 0.181 0.000 1.044 859 I HN 0.733 nan 8.210 nan 0.000 0.408 860 R N 1.800 122.290 120.500 -0.015 0.000 2.139 860 R HA -0.204 4.136 4.340 -0.000 0.000 0.243 860 R C 1.897 177.848 176.300 -0.582 0.000 1.145 860 R CA 1.546 57.465 56.100 -0.302 0.000 0.976 860 R CB -0.516 29.763 30.300 -0.034 0.000 0.866 860 R HN 0.453 nan 8.270 nan 0.000 0.449 861 E N -0.998 118.877 120.200 -0.541 0.000 2.472 861 E HA -0.082 4.268 4.350 -0.000 0.000 0.200 861 E C 0.920 177.339 176.600 -0.302 0.000 1.046 861 E CA 1.315 57.443 56.400 -0.453 0.000 0.871 861 E CB 0.079 29.467 29.700 -0.521 0.000 0.806 861 E HN 0.584 nan 8.360 nan 0.000 0.533 862 T N -1.757 112.652 114.554 -0.243 0.000 3.086 862 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 862 T C 0.059 174.814 174.700 0.092 0.000 1.074 862 T CA -0.361 61.730 62.100 -0.014 0.000 0.988 862 T CB -0.288 68.663 68.868 0.139 0.000 0.988 862 T HN 0.217 nan 8.240 nan 0.000 0.530 863 Y N -1.272 119.033 120.300 0.008 0.000 2.597 863 Y HA 0.740 5.290 4.550 -0.000 0.000 0.340 863 Y C -0.832 175.073 175.900 0.008 0.000 1.097 863 Y CA -1.984 56.130 58.100 0.023 0.000 1.037 863 Y CB 1.468 39.950 38.460 0.037 0.000 1.305 863 Y HN -0.081 nan 8.280 nan 0.000 0.463 864 K N 2.247 122.772 120.400 0.208 0.000 2.307 864 K HA 0.306 4.626 4.320 -0.000 0.000 0.263 864 K C -1.063 175.619 176.600 0.137 0.000 0.973 864 K CA -0.464 55.872 56.287 0.080 0.000 0.846 864 K CB 1.097 33.605 32.500 0.012 0.000 1.100 864 K HN 0.856 nan 8.250 nan 0.000 0.438 865 E N 3.641 123.897 120.200 0.092 0.000 2.313 865 E HA 0.124 4.474 4.350 -0.000 0.000 0.276 865 E C -0.172 176.384 176.600 -0.074 0.000 1.031 865 E CA -0.364 56.088 56.400 0.087 0.000 0.857 865 E CB 1.090 30.852 29.700 0.104 0.000 1.040 865 E HN 0.531 nan 8.360 nan 0.000 0.408 866 H N 0.000 119.106 119.070 0.059 0.000 2.539 866 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 866 H CA 0.000 56.072 56.048 0.041 0.000 1.023 866 H CB 0.000 29.782 29.762 0.033 0.000 1.292 866 H HN 0.000 nan 8.280 nan 0.000 0.496