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 2xwu_1_B DATA FIRST_RESID 19 DATA SEQUENCE LDFTVENVEK ALHQLYYDPN IENKNLAQKW LMQAQVSPQA WHFSWQLLQP DATA SEQUENCE DKVPEIQYFG ASALHIKISR YWSDIPTDQY ESLKAQLFTQ ITRFASGSKI DATA SEQUENCE VLTRLCVALA SLALSMMPDA WPCAVADMVR LFQAXXXPVD GQGRCLALLE DATA SEQUENCE LLTVLPEEFQ TSRLPQYRKG LVRTSLAVEC GAVFPLLEQL LQQPSSPSCV DATA SEQUENCE RQKVLKCFSS WVQLEVPLQD CEALIQAAFA ALQDSELFDS SVEAIVNAIS DATA SEQUENCE QPDAQRYVNT LLKLIPLVLG LQEQLRQAVQ NGDMETSHGI CRIAVALGEN DATA SEQUENCE HSRALLDQVE HWQSFLALVN MIMFCTGIPG HYPVNETTSS LTLTFWYTLQ DATA SEQUENCE DDILSFEAEK QAVYQQVYRP VYFQLVDVLL HKAQFPSDEE YGFWSSDEKE DATA SEQUENCE QFRIYRVDIS DTLMYVYEML GAELLSNLYD KLGRLLTSXX XXYSWQHTEA DATA SEQUENCE LLYGFQSIAE TIDVNYSDVV PGLIGLIPRI SISNVQLADT VMFTIGALSE DATA SEQUENCE WLADHPVMIN SVLPLVLHAL GNPELSVSSV STLKKICREC KYDLPPYAAN DATA SEQUENCE IVAVSQDVLM KQIHKTSQCM WLMQALGFLL SALQVEEILK NLHSLISPYI DATA SEQUENCE QQLEKLAEEI PNPSNKLAIV HILGLLSNLF TTLDISHXXX XXXXXXXXXX DATA SEQUENCE XXXXXPNPVV VVLQQVFQLI QKVLSKWLND AQVVEAVCAI FEKSVKTLLD DATA SEQUENCE DFAPMVPQLC EMLGRMYSTI PQASALDLTR QLVHIFAHEP AHFPPIEALF DATA SEQUENCE LLVTSVTLTL FQQGPRDHPD IVDSFMQLLA QALKRKPDLF LCERLDVKAV DATA SEQUENCE FQCAVLALKF PEAPTVKASC GFFTELLPRC GEVESVGKVV QEDGRMLLIA DATA SEQUENCE VLEAIGGQAS RSLMDCFADI LFALNKHCFS LLSMWIKEAL QPPGFPSARL DATA SEQUENCE SPEQKDTFSQ QILRERVNKR RVKEMVKEFT LLCRGL 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 19 L HA 0.000 nan 4.340 nan 0.000 0.249 19 L C 0.000 176.613 176.870 -0.428 0.000 1.165 19 L CA 0.000 54.849 54.840 0.014 0.000 0.813 19 L CB 0.000 42.160 42.059 0.169 0.000 0.961 20 D N -0.218 120.021 120.400 -0.269 0.000 2.256 20 D HA 0.650 5.292 4.640 0.003 0.000 0.240 20 D C -1.010 175.159 176.300 -0.219 0.000 1.062 20 D CA -0.488 53.302 54.000 -0.350 0.000 0.832 20 D CB 1.016 41.748 40.800 -0.114 0.000 1.135 20 D HN 0.928 nan 8.370 nan 0.000 0.484 21 F N 2.041 122.038 119.950 0.079 0.000 2.462 21 F HA 0.414 4.943 4.527 0.003 0.000 0.354 21 F C 1.343 177.140 175.800 -0.004 0.000 1.192 21 F CA -0.870 57.116 58.000 -0.023 0.000 1.173 21 F CB 0.566 39.475 39.000 -0.152 0.000 1.402 21 F HN 0.416 nan 8.300 nan 0.000 0.595 22 T N -2.034 112.621 114.554 0.168 0.000 2.942 22 T HA 0.451 4.803 4.350 0.003 0.000 0.289 22 T C 0.933 175.691 174.700 0.098 0.000 1.044 22 T CA -0.788 61.413 62.100 0.168 0.000 1.023 22 T CB 1.726 70.684 68.868 0.151 0.000 1.123 22 T HN 0.088 nan 8.240 nan 0.000 0.512 23 V N 1.189 121.212 119.914 0.182 0.000 2.392 23 V HA -0.143 3.979 4.120 0.003 0.000 0.249 23 V C 2.627 178.798 176.094 0.129 0.000 1.059 23 V CA 2.137 64.547 62.300 0.184 0.000 1.051 23 V CB -1.050 30.905 31.823 0.220 0.000 0.658 23 V HN 0.891 nan 8.190 nan 0.000 0.455 24 E N 0.232 120.496 120.200 0.106 0.000 2.051 24 E HA -0.174 4.178 4.350 0.003 0.000 0.192 24 E C 2.066 178.682 176.600 0.027 0.000 0.991 24 E CA 1.679 58.117 56.400 0.062 0.000 0.799 24 E CB -0.430 29.298 29.700 0.046 0.000 0.748 24 E HN 0.678 nan 8.360 nan 0.000 0.449 25 N N -0.394 118.330 118.700 0.040 0.000 2.171 25 N HA -0.091 4.651 4.740 0.003 0.000 0.184 25 N C 1.664 177.168 175.510 -0.009 0.000 1.021 25 N CA 0.861 53.900 53.050 -0.017 0.000 0.854 25 N CB 0.183 38.716 38.487 0.078 0.000 0.994 25 N HN -0.048 nan 8.380 nan 0.000 0.426 26 V N 1.444 121.462 119.914 0.175 0.000 2.490 26 V HA -0.203 3.919 4.120 0.003 0.000 0.250 26 V C 2.142 178.290 176.094 0.090 0.000 1.061 26 V CA 1.575 64.007 62.300 0.219 0.000 1.064 26 V CB -0.416 31.342 31.823 -0.108 0.000 0.670 26 V HN 0.377 nan 8.190 nan 0.000 0.461 27 E N 0.679 120.939 120.200 0.102 0.000 2.208 27 E HA -0.163 4.189 4.350 0.003 0.000 0.193 27 E C 2.274 178.966 176.600 0.153 0.000 0.988 27 E CA 1.303 57.801 56.400 0.164 0.000 0.828 27 E CB -0.080 29.728 29.700 0.180 0.000 0.763 27 E HN 0.617 nan 8.360 nan 0.000 0.478 28 K N 0.516 120.915 120.400 -0.001 0.000 2.103 28 K HA 0.156 4.478 4.320 0.003 0.000 0.204 28 K C 2.068 178.624 176.600 -0.074 0.000 1.052 28 K CA 1.062 57.309 56.287 -0.065 0.000 0.945 28 K CB -0.834 31.576 32.500 -0.151 0.000 0.722 28 K HN 0.283 nan 8.250 nan 0.000 0.443 29 A N 0.772 123.480 122.820 -0.187 0.000 1.969 29 A HA 0.102 4.424 4.320 0.003 0.000 0.218 29 A C 2.417 179.882 177.584 -0.198 0.000 1.169 29 A CA 1.281 53.175 52.037 -0.238 0.000 0.635 29 A CB -0.298 18.524 19.000 -0.297 0.000 0.810 29 A HN 0.414 nan 8.150 nan 0.000 0.445 30 L N -1.672 119.445 121.223 -0.177 0.000 2.056 30 L HA -0.183 4.159 4.340 0.003 0.000 0.207 30 L C 2.561 179.270 176.870 -0.268 0.000 1.078 30 L CA 1.508 56.118 54.840 -0.384 0.000 0.749 30 L CB -0.646 41.304 42.059 -0.182 0.000 0.901 30 L HN 0.438 nan 8.230 nan 0.000 0.433 31 H N -0.360 118.712 119.070 0.003 0.000 2.387 31 H HA -0.203 4.355 4.556 0.003 0.000 0.299 31 H C 2.545 177.959 175.328 0.144 0.000 1.099 31 H CA 2.108 58.304 56.048 0.247 0.000 1.315 31 H CB -0.324 29.581 29.762 0.238 0.000 1.380 31 H HN 0.405 nan 8.280 nan 0.000 0.513 32 Q N 0.653 120.508 119.800 0.092 0.000 2.046 32 Q HA -0.033 4.309 4.340 0.003 0.000 0.200 32 Q C 2.422 178.380 176.000 -0.069 0.000 0.975 32 Q CA 1.550 57.361 55.803 0.014 0.000 0.836 32 Q CB -0.938 27.767 28.738 -0.056 0.000 0.896 32 Q HN 0.424 nan 8.270 nan 0.000 0.428 33 L N -0.678 120.425 121.223 -0.200 0.000 2.027 33 L HA -0.053 4.289 4.340 0.003 0.000 0.206 33 L C 2.389 179.109 176.870 -0.249 0.000 1.074 33 L CA 1.982 56.669 54.840 -0.255 0.000 0.745 33 L CB -0.762 41.051 42.059 -0.410 0.000 0.898 33 L HN 0.527 nan 8.230 nan 0.000 0.433 34 Y N -1.187 118.898 120.300 -0.359 0.000 2.220 34 Y HA -0.150 4.402 4.550 0.003 0.000 0.291 34 Y C 2.008 177.475 175.900 -0.722 0.000 1.129 34 Y CA 1.465 59.154 58.100 -0.686 0.000 1.161 34 Y CB -0.853 36.890 38.460 -1.194 0.000 0.997 34 Y HN 0.288 nan 8.280 nan 0.000 0.522 35 Y N -1.869 118.498 120.300 0.112 0.000 2.430 35 Y HA 0.205 4.757 4.550 0.003 0.000 0.248 35 Y C 0.458 176.383 175.900 0.043 0.000 1.108 35 Y CA -0.947 57.194 58.100 0.069 0.000 1.264 35 Y CB 0.216 38.717 38.460 0.069 0.000 1.172 35 Y HN -0.156 nan 8.280 nan 0.000 0.520 36 D N 2.883 123.364 120.400 0.135 0.000 2.339 36 D HA 0.065 4.707 4.640 0.003 0.000 0.256 36 D C -1.896 174.432 176.300 0.047 0.000 1.214 36 D CA -1.516 52.531 54.000 0.079 0.000 0.877 36 D CB 1.615 42.438 40.800 0.038 0.000 1.111 36 D HN 0.084 nan 8.370 nan 0.000 0.478 37 P HA -0.103 nan 4.420 nan 0.000 0.219 37 P C 0.036 177.346 177.300 0.017 0.000 1.146 37 P CA 0.605 63.725 63.100 0.033 0.000 0.808 37 P CB 0.186 31.906 31.700 0.033 0.000 0.779 38 N N -0.402 118.305 118.700 0.013 0.000 2.420 38 N HA 0.112 4.854 4.740 0.003 0.000 0.262 38 N C 1.368 176.877 175.510 -0.001 0.000 1.144 38 N CA 0.111 53.164 53.050 0.005 0.000 0.952 38 N CB -0.280 38.208 38.487 0.003 0.000 1.081 38 N HN -0.159 nan 8.380 nan 0.000 0.480 39 I N 2.691 123.260 120.570 -0.001 0.000 2.145 39 I HA -0.298 3.874 4.170 0.003 0.000 0.244 39 I C 2.296 178.410 176.117 -0.005 0.000 1.075 39 I CA 2.929 64.227 61.300 -0.004 0.000 1.332 39 I CB -2.155 35.844 38.000 -0.001 0.000 1.033 39 I HN 0.839 nan 8.210 nan 0.000 0.410 40 E N 1.337 121.535 120.200 -0.004 0.000 2.048 40 E HA -0.386 3.966 4.350 0.003 0.000 0.202 40 E C 1.970 178.566 176.600 -0.008 0.000 1.021 40 E CA 1.889 58.287 56.400 -0.004 0.000 0.825 40 E CB -1.437 28.261 29.700 -0.003 0.000 0.756 40 E HN 0.878 nan 8.360 nan 0.000 0.454 41 N N 0.608 119.300 118.700 -0.013 0.000 2.036 41 N HA -0.167 4.575 4.740 0.003 0.000 0.195 41 N C 1.895 177.387 175.510 -0.029 0.000 1.037 41 N CA 1.721 54.757 53.050 -0.023 0.000 0.855 41 N CB -0.378 38.094 38.487 -0.024 0.000 1.033 41 N HN 0.517 nan 8.380 nan 0.000 0.423 42 K N 0.830 121.212 120.400 -0.029 0.000 2.034 42 K HA -0.105 4.217 4.320 0.003 0.000 0.214 42 K C 1.629 178.210 176.600 -0.031 0.000 1.051 42 K CA 1.258 57.520 56.287 -0.043 0.000 0.931 42 K CB -0.215 32.264 32.500 -0.035 0.000 0.715 42 K HN 0.276 nan 8.250 nan 0.000 0.446 43 N N 1.032 119.724 118.700 -0.013 0.000 2.149 43 N HA -0.162 4.580 4.740 0.003 0.000 0.188 43 N C 1.951 177.470 175.510 0.015 0.000 1.019 43 N CA 1.072 54.123 53.050 0.001 0.000 0.857 43 N CB -0.239 38.251 38.487 0.005 0.000 0.997 43 N HN 0.186 nan 8.380 nan 0.000 0.426 44 L N 0.907 122.138 121.223 0.012 0.000 2.005 44 L HA -0.097 4.245 4.340 0.003 0.000 0.207 44 L C 2.577 179.484 176.870 0.061 0.000 1.072 44 L CA 1.123 55.983 54.840 0.033 0.000 0.744 44 L CB -0.561 41.501 42.059 0.006 0.000 0.895 44 L HN 0.102 nan 8.230 nan 0.000 0.433 45 A N -0.756 122.067 122.820 0.005 0.000 1.908 45 A HA -0.303 4.019 4.320 0.003 0.000 0.218 45 A C 2.242 179.849 177.584 0.038 0.000 1.181 45 A CA 1.954 53.988 52.037 -0.005 0.000 0.627 45 A CB -0.646 18.293 19.000 -0.101 0.000 0.818 45 A HN 0.505 nan 8.150 nan 0.000 0.445 46 Q N -0.701 119.098 119.800 -0.002 0.000 2.050 46 Q HA -0.245 4.097 4.340 0.003 0.000 0.202 46 Q C 2.454 178.481 176.000 0.046 0.000 0.980 46 Q CA 2.589 58.390 55.803 -0.003 0.000 0.840 46 Q CB -0.296 28.439 28.738 -0.006 0.000 0.898 46 Q HN 0.658 nan 8.270 nan 0.000 0.424 47 K N -0.158 120.285 120.400 0.070 0.000 2.097 47 K HA -0.197 4.125 4.320 0.003 0.000 0.206 47 K C 1.313 177.982 176.600 0.115 0.000 1.049 47 K CA 1.405 57.738 56.287 0.078 0.000 0.933 47 K CB -1.388 31.159 32.500 0.078 0.000 0.717 47 K HN 0.605 nan 8.250 nan 0.000 0.442 48 W N 0.602 121.898 121.300 -0.006 0.000 2.388 48 W HA 0.012 4.674 4.660 0.004 0.000 0.294 48 W C 1.641 178.162 176.519 0.003 0.000 1.212 48 W CA 1.241 58.605 57.345 0.032 0.000 1.271 48 W CB 0.064 29.536 29.460 0.019 0.000 1.126 48 W HN 0.178 nan 8.180 nan 0.000 0.535 49 L N 0.107 121.412 121.223 0.137 0.000 2.156 49 L HA -0.217 4.125 4.340 0.003 0.000 0.208 49 L C 2.466 179.314 176.870 -0.038 0.000 1.095 49 L CA 1.119 55.927 54.840 -0.054 0.000 0.770 49 L CB -0.671 41.267 42.059 -0.201 0.000 0.914 49 L HN 0.032 nan 8.230 nan 0.000 0.439 50 M N -0.569 119.020 119.600 -0.019 0.000 2.279 50 M HA -0.231 4.251 4.480 0.003 0.000 0.264 50 M C 2.722 178.952 176.300 -0.117 0.000 1.062 50 M CA 2.122 57.411 55.300 -0.017 0.000 1.099 50 M CB -0.590 32.011 32.600 0.002 0.000 1.394 50 M HN 0.451 nan 8.290 nan 0.000 0.426 51 Q N 0.150 119.814 119.800 -0.228 0.000 2.096 51 Q HA 0.107 4.449 4.340 0.003 0.000 0.197 51 Q C 2.197 177.781 176.000 -0.694 0.000 0.964 51 Q CA 1.434 57.047 55.803 -0.316 0.000 0.838 51 Q CB -0.949 27.658 28.738 -0.218 0.000 0.906 51 Q HN 0.655 nan 8.270 nan 0.000 0.444 52 A N 1.565 123.761 122.820 -1.039 0.000 1.933 52 A HA -0.231 4.091 4.320 0.003 0.000 0.218 52 A C 2.308 179.655 177.584 -0.396 0.000 1.175 52 A CA 1.848 53.050 52.037 -1.391 0.000 0.628 52 A CB -0.420 17.873 19.000 -1.178 0.000 0.814 52 A HN 0.818 nan 8.150 nan 0.000 0.444 53 Q N 0.064 119.789 119.800 -0.126 0.000 2.224 53 Q HA -0.078 4.264 4.340 0.003 0.000 0.203 53 Q C 1.499 177.329 176.000 -0.282 0.000 0.970 53 Q CA 1.903 57.618 55.803 -0.146 0.000 0.865 53 Q CB -0.680 28.000 28.738 -0.097 0.000 0.922 53 Q HN 0.676 nan 8.270 nan 0.000 0.445 54 V N -1.318 118.439 119.914 -0.261 0.000 3.590 54 V HA 0.119 4.241 4.120 0.003 0.000 0.265 54 V C 1.163 177.001 176.094 -0.427 0.000 1.239 54 V CA -0.028 62.110 62.300 -0.270 0.000 1.117 54 V CB -0.143 31.638 31.823 -0.070 0.000 0.818 54 V HN 0.350 nan 8.190 nan 0.000 0.451 55 S N 1.435 116.921 115.700 -0.356 0.000 2.587 55 S HA 0.235 4.707 4.470 0.003 0.000 0.260 55 S C -1.349 173.173 174.600 -0.131 0.000 1.353 55 S CA -0.022 58.050 58.200 -0.214 0.000 0.995 55 S CB 0.434 63.498 63.200 -0.228 0.000 0.912 55 S HN 0.276 nan 8.310 nan 0.000 0.568 56 P HA 0.045 nan 4.420 nan 0.000 0.222 56 P C 1.088 178.556 177.300 0.281 0.000 1.153 56 P CA 0.734 63.947 63.100 0.189 0.000 0.798 56 P CB -0.018 31.774 31.700 0.152 0.000 0.796 57 Q N -0.375 119.600 119.800 0.291 0.000 2.364 57 Q HA -0.048 4.294 4.340 0.003 0.000 0.209 57 Q C 2.111 178.334 176.000 0.372 0.000 0.977 57 Q CA 1.469 57.538 55.803 0.443 0.000 0.885 57 Q CB -1.193 27.914 28.738 0.615 0.000 0.941 57 Q HN 0.182 nan 8.270 nan 0.000 0.464 58 A N -0.430 122.358 122.820 -0.052 0.000 1.930 58 A HA -0.159 4.163 4.320 0.003 0.000 0.217 58 A C 1.427 178.651 177.584 -0.600 0.000 1.175 58 A CA 0.946 52.438 52.037 -0.909 0.000 0.627 58 A CB -0.965 17.547 19.000 -0.814 0.000 0.815 58 A HN 0.584 nan 8.150 nan 0.000 0.443 59 W N -1.514 119.669 121.300 -0.194 0.000 2.480 59 W HA -0.106 4.555 4.660 0.002 0.000 0.257 59 W C 2.103 178.735 176.519 0.189 0.000 1.235 59 W CA 1.360 58.697 57.345 -0.014 0.000 1.218 59 W CB -0.152 29.348 29.460 0.067 0.000 1.131 59 W HN 0.708 nan 8.180 nan 0.000 0.606 60 H N -1.500 117.723 119.070 0.254 0.000 2.481 60 H HA 0.006 4.564 4.556 0.003 0.000 0.291 60 H C 1.763 177.269 175.328 0.297 0.000 1.009 60 H CA 1.266 57.502 56.048 0.313 0.000 1.282 60 H CB -0.504 29.429 29.762 0.285 0.000 1.457 60 H HN 0.053 nan 8.280 nan 0.000 0.525 61 F N 0.451 120.489 119.950 0.147 0.000 2.743 61 F HA 0.230 4.759 4.527 0.003 0.000 0.297 61 F C 2.049 177.875 175.800 0.042 0.000 1.131 61 F CA 0.578 58.625 58.000 0.078 0.000 1.426 61 F CB -0.652 38.459 39.000 0.185 0.000 1.116 61 F HN 0.166 nan 8.300 nan 0.000 0.583 62 S N -0.295 115.075 115.700 -0.550 0.000 2.371 62 S HA -0.186 4.286 4.470 0.003 0.000 0.224 62 S C 1.640 176.099 174.600 -0.234 0.000 1.029 62 S CA 0.890 58.777 58.200 -0.522 0.000 0.978 62 S CB -1.432 61.256 63.200 -0.854 0.000 0.833 62 S HN 0.598 nan 8.310 nan 0.000 0.466 63 W N 2.427 123.663 121.300 -0.107 0.000 2.374 63 W HA 0.081 4.743 4.660 0.003 0.000 0.288 63 W C 2.792 179.325 176.519 0.023 0.000 1.218 63 W CA 0.647 57.977 57.345 -0.025 0.000 1.245 63 W CB -0.364 29.088 29.460 -0.014 0.000 1.126 63 W HN 0.391 nan 8.180 nan 0.000 0.545 64 Q N 0.133 120.067 119.800 0.224 0.000 2.230 64 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 64 Q C 2.017 178.146 176.000 0.215 0.000 0.963 64 Q CA 0.903 56.819 55.803 0.189 0.000 0.866 64 Q CB -0.431 28.396 28.738 0.149 0.000 0.931 64 Q HN 0.379 nan 8.270 nan 0.000 0.452 65 L N 0.431 121.791 121.223 0.228 0.000 2.552 65 L HA -0.058 4.284 4.340 0.003 0.000 0.227 65 L C 1.652 178.651 176.870 0.213 0.000 1.146 65 L CA 0.337 55.324 54.840 0.245 0.000 0.858 65 L CB 0.037 42.274 42.059 0.298 0.000 0.969 65 L HN 0.252 nan 8.230 nan 0.000 0.451 66 L N -1.018 120.332 121.223 0.212 0.000 2.509 66 L HA 0.016 4.358 4.340 0.003 0.000 0.222 66 L C 0.999 178.088 176.870 0.365 0.000 1.123 66 L CA -0.067 54.948 54.840 0.291 0.000 0.856 66 L CB -0.179 42.066 42.059 0.311 0.000 0.985 66 L HN 0.304 nan 8.230 nan 0.000 0.456 67 Q N 1.393 121.349 119.800 0.259 0.000 2.414 67 Q HA -0.064 4.278 4.340 0.003 0.000 0.288 67 Q C -1.233 174.882 176.000 0.192 0.000 1.086 67 Q CA -0.895 55.028 55.803 0.200 0.000 0.943 67 Q CB 0.374 29.210 28.738 0.163 0.000 1.282 67 Q HN -0.008 nan 8.270 nan 0.000 0.438 68 P HA -0.223 nan 4.420 nan 0.000 0.219 68 P C 0.350 177.716 177.300 0.110 0.000 1.146 68 P CA 1.559 64.719 63.100 0.099 0.000 0.808 68 P CB 0.171 31.898 31.700 0.046 0.000 0.779 69 D N -0.059 120.408 120.400 0.112 0.000 2.144 69 D HA -0.114 4.528 4.640 0.003 0.000 0.200 69 D C 0.600 176.982 176.300 0.137 0.000 0.978 69 D CA 0.987 55.053 54.000 0.109 0.000 0.833 69 D CB -0.979 39.881 40.800 0.100 0.000 0.961 69 D HN 0.069 nan 8.370 nan 0.000 0.470 70 K N 1.675 122.176 120.400 0.168 0.000 2.448 70 K HA 0.185 4.507 4.320 0.003 0.000 0.278 70 K C 0.682 177.393 176.600 0.184 0.000 1.009 70 K CA -0.347 56.059 56.287 0.199 0.000 0.995 70 K CB 1.144 33.779 32.500 0.224 0.000 0.917 70 K HN 0.201 nan 8.250 nan 0.000 0.481 71 V N 0.525 120.544 119.914 0.175 0.000 3.051 71 V HA 0.054 4.176 4.120 0.003 0.000 0.306 71 V C -1.490 174.686 176.094 0.137 0.000 1.083 71 V CA -1.382 60.999 62.300 0.136 0.000 1.104 71 V CB 0.253 32.141 31.823 0.109 0.000 1.027 71 V HN 0.465 nan 8.190 nan 0.000 0.483 72 P HA -0.204 nan 4.420 nan 0.000 0.216 72 P C 1.488 178.836 177.300 0.080 0.000 1.167 72 P CA 2.180 65.342 63.100 0.103 0.000 0.914 72 P CB 0.096 31.832 31.700 0.059 0.000 0.793 73 E N -0.657 119.526 120.200 -0.028 0.000 2.070 73 E HA -0.188 4.164 4.350 0.003 0.000 0.197 73 E C 2.029 178.732 176.600 0.172 0.000 1.004 73 E CA 1.221 57.542 56.400 -0.133 0.000 0.805 73 E CB -1.193 28.126 29.700 -0.635 0.000 0.744 73 E HN 0.295 nan 8.360 nan 0.000 0.451 74 I N 0.753 121.468 120.570 0.242 0.000 2.286 74 I HA -0.310 3.862 4.170 0.003 0.000 0.248 74 I C 2.340 178.661 176.117 0.339 0.000 1.115 74 I CA 1.210 62.738 61.300 0.379 0.000 1.392 74 I CB -0.327 37.864 38.000 0.319 0.000 1.065 74 I HN 0.161 nan 8.210 nan 0.000 0.418 75 Q N -0.222 119.727 119.800 0.249 0.000 2.084 75 Q HA -0.261 4.081 4.340 0.003 0.000 0.202 75 Q C 2.195 178.261 176.000 0.109 0.000 0.978 75 Q CA 1.861 57.769 55.803 0.176 0.000 0.844 75 Q CB -0.365 28.468 28.738 0.159 0.000 0.898 75 Q HN 0.515 nan 8.270 nan 0.000 0.426 76 Y N 0.550 120.867 120.300 0.028 0.000 2.114 76 Y HA -0.325 4.227 4.550 0.003 0.000 0.282 76 Y C 1.981 177.898 175.900 0.028 0.000 1.165 76 Y CA 1.692 59.784 58.100 -0.013 0.000 1.148 76 Y CB -0.403 38.070 38.460 0.021 0.000 0.972 76 Y HN 0.119 nan 8.280 nan 0.000 0.504 77 F N 0.498 120.519 119.950 0.118 0.000 2.126 77 F HA -0.103 4.426 4.527 0.003 0.000 0.299 77 F C 2.357 178.109 175.800 -0.080 0.000 1.096 77 F CA 1.839 59.863 58.000 0.041 0.000 1.255 77 F CB -0.974 38.128 39.000 0.169 0.000 0.997 77 F HN 0.071 nan 8.300 nan 0.000 0.479 78 G N -0.412 108.324 108.800 -0.106 0.000 2.421 78 G HA2 -0.236 3.726 3.960 0.003 0.000 0.216 78 G HA3 -0.236 3.726 3.960 0.003 0.000 0.216 78 G C 1.849 176.464 174.900 -0.476 0.000 1.171 78 G CA 0.929 45.869 45.100 -0.267 0.000 0.775 78 G HN 0.607 nan 8.290 nan 0.000 0.543 79 A N 0.294 122.856 122.820 -0.431 0.000 1.933 79 A HA 0.007 4.328 4.320 0.003 0.000 0.218 79 A C 2.631 179.891 177.584 -0.540 0.000 1.175 79 A CA 2.306 54.048 52.037 -0.491 0.000 0.628 79 A CB -0.729 17.990 19.000 -0.468 0.000 0.814 79 A HN 0.397 nan 8.150 nan 0.000 0.444 80 S N -0.662 114.648 115.700 -0.650 0.000 2.368 80 S HA 0.030 4.502 4.470 0.003 0.000 0.224 80 S C 2.168 176.456 174.600 -0.520 0.000 1.029 80 S CA 1.305 59.154 58.200 -0.587 0.000 0.988 80 S CB -0.407 62.396 63.200 -0.661 0.000 0.838 80 S HN 0.775 nan 8.310 nan 0.000 0.462 81 A N 1.161 123.542 122.820 -0.731 0.000 1.972 81 A HA 0.064 4.386 4.320 0.003 0.000 0.219 81 A C 2.146 179.320 177.584 -0.683 0.000 1.169 81 A CA 1.059 52.642 52.037 -0.757 0.000 0.635 81 A CB -0.637 17.774 19.000 -0.981 0.000 0.810 81 A HN 0.560 nan 8.150 nan 0.000 0.446 82 L N -1.429 119.394 121.223 -0.667 0.000 2.093 82 L HA -0.190 4.152 4.340 0.003 0.000 0.208 82 L C 2.699 179.298 176.870 -0.452 0.000 1.085 82 L CA 1.655 56.099 54.840 -0.660 0.000 0.755 82 L CB -0.573 41.060 42.059 -0.710 0.000 0.904 82 L HN 0.682 nan 8.230 nan 0.000 0.435 83 H N 0.122 118.935 119.070 -0.428 0.000 2.353 83 H HA -0.189 4.368 4.556 0.003 0.000 0.300 83 H C 2.318 177.489 175.328 -0.262 0.000 1.090 83 H CA 1.871 57.740 56.048 -0.297 0.000 1.327 83 H CB 0.215 29.809 29.762 -0.279 0.000 1.383 83 H HN 0.215 nan 8.280 nan 0.000 0.508 84 I N 1.535 121.817 120.570 -0.479 0.000 2.127 84 I HA -0.285 3.887 4.170 0.003 0.000 0.241 84 I C 2.554 178.464 176.117 -0.345 0.000 1.075 84 I CA 1.254 62.294 61.300 -0.434 0.000 1.334 84 I CB -0.208 37.610 38.000 -0.303 0.000 1.040 84 I HN 0.130 nan 8.210 nan 0.000 0.405 85 K N 0.370 120.486 120.400 -0.472 0.000 2.074 85 K HA -0.134 4.188 4.320 0.003 0.000 0.209 85 K C 2.110 178.586 176.600 -0.207 0.000 1.048 85 K CA 1.741 57.695 56.287 -0.555 0.000 0.926 85 K CB -0.673 30.808 32.500 -1.698 0.000 0.713 85 K HN 0.393 nan 8.250 nan 0.000 0.444 86 I N 1.247 121.720 120.570 -0.162 0.000 2.277 86 I HA -0.233 3.938 4.170 0.003 0.000 0.243 86 I C 2.625 178.824 176.117 0.137 0.000 1.094 86 I CA 1.245 62.687 61.300 0.237 0.000 1.393 86 I CB -0.418 37.736 38.000 0.257 0.000 1.078 86 I HN 0.154 nan 8.210 nan 0.000 0.417 87 S N 1.052 116.653 115.700 -0.164 0.000 2.382 87 S HA -0.120 4.352 4.470 0.003 0.000 0.228 87 S C 2.182 176.661 174.600 -0.201 0.000 1.027 87 S CA 0.755 58.800 58.200 -0.259 0.000 0.991 87 S CB -0.165 62.699 63.200 -0.559 0.000 0.823 87 S HN 0.290 nan 8.310 nan 0.000 0.469 88 R N 0.075 120.450 120.500 -0.209 0.000 2.087 88 R HA 0.231 4.573 4.340 0.003 0.000 0.216 88 R C 0.090 176.128 176.300 -0.437 0.000 1.114 88 R CA 0.776 56.673 56.100 -0.339 0.000 1.002 88 R CB -0.666 29.390 30.300 -0.406 0.000 0.903 88 R HN 0.555 nan 8.270 nan 0.000 0.445 89 Y N 0.201 120.567 120.300 0.110 0.000 2.806 89 Y HA 0.146 4.699 4.550 0.004 0.000 0.364 89 Y C 0.943 177.116 175.900 0.455 0.000 1.101 89 Y CA -0.908 57.348 58.100 0.259 0.000 1.256 89 Y CB 0.018 38.650 38.460 0.287 0.000 1.363 89 Y HN 0.209 nan 8.280 nan 0.000 0.592 90 W N 0.954 122.381 121.300 0.212 0.000 2.584 90 W HA -0.088 4.575 4.660 0.005 0.000 0.264 90 W C 1.339 177.982 176.519 0.206 0.000 1.264 90 W CA 1.481 58.956 57.345 0.217 0.000 1.306 90 W CB 0.058 29.577 29.460 0.099 0.000 1.110 90 W HN 0.533 nan 8.180 nan 0.000 0.606 91 S N 0.343 116.225 115.700 0.303 0.000 2.603 91 S HA -0.085 4.387 4.470 0.003 0.000 0.229 91 S C 0.969 175.612 174.600 0.071 0.000 0.972 91 S CA 1.316 59.604 58.200 0.147 0.000 0.935 91 S CB -0.392 62.909 63.200 0.169 0.000 0.769 91 S HN 0.111 nan 8.310 nan 0.000 0.536 92 D N 0.324 120.782 120.400 0.098 0.000 2.354 92 D HA 0.244 4.886 4.640 0.003 0.000 0.209 92 D C 0.136 176.228 176.300 -0.348 0.000 1.015 92 D CA 0.142 54.105 54.000 -0.062 0.000 0.867 92 D CB 0.363 41.211 40.800 0.079 0.000 0.933 92 D HN 0.512 nan 8.370 nan 0.000 0.520 93 I N 2.175 122.541 120.570 -0.341 0.000 2.392 93 I HA 0.285 4.457 4.170 0.003 0.000 0.295 93 I C -2.116 173.797 176.117 -0.341 0.000 0.985 93 I CA -2.073 58.983 61.300 -0.407 0.000 1.221 93 I CB 1.829 39.588 38.000 -0.403 0.000 1.366 93 I HN -0.221 nan 8.210 nan 0.000 0.467 94 P HA 0.191 nan 4.420 nan 0.000 0.282 94 P C 0.522 177.361 177.300 -0.769 0.000 1.259 94 P CA -0.446 62.411 63.100 -0.404 0.000 0.826 94 P CB 1.170 32.691 31.700 -0.298 0.000 1.064 95 T N -2.125 111.922 114.554 -0.845 0.000 2.803 95 T HA -0.195 4.156 4.350 0.003 0.000 0.269 95 T C 1.216 175.388 174.700 -0.881 0.000 1.052 95 T CA 1.624 62.907 62.100 -1.361 0.000 1.136 95 T CB -0.980 67.554 68.868 -0.557 0.000 0.864 95 T HN 0.513 nan 8.240 nan 0.000 0.467 96 D N 0.907 121.017 120.400 -0.484 0.000 2.219 96 D HA -0.146 4.496 4.640 0.003 0.000 0.205 96 D C 1.778 177.923 176.300 -0.258 0.000 0.970 96 D CA 0.671 54.497 54.000 -0.290 0.000 0.851 96 D CB -0.323 40.358 40.800 -0.198 0.000 0.943 96 D HN 0.338 nan 8.370 nan 0.000 0.488 97 Q N -0.565 119.042 119.800 -0.322 0.000 2.403 97 Q HA -0.003 4.338 4.340 0.003 0.000 0.203 97 Q C 1.377 177.348 176.000 -0.048 0.000 0.932 97 Q CA -0.019 55.673 55.803 -0.184 0.000 0.945 97 Q CB -0.212 28.410 28.738 -0.193 0.000 1.045 97 Q HN 0.421 nan 8.270 nan 0.000 0.511 98 Y N 1.789 122.020 120.300 -0.116 0.000 2.070 98 Y HA -0.194 4.358 4.550 0.003 0.000 0.280 98 Y C 2.248 178.125 175.900 -0.037 0.000 1.148 98 Y CA 0.924 58.977 58.100 -0.077 0.000 1.125 98 Y CB -0.458 37.974 38.460 -0.046 0.000 0.975 98 Y HN 0.126 nan 8.280 nan 0.000 0.492 99 E N -0.114 120.150 120.200 0.107 0.000 2.058 99 E HA -0.189 4.163 4.350 0.003 0.000 0.194 99 E C 2.588 179.209 176.600 0.035 0.000 0.997 99 E CA 1.400 57.809 56.400 0.016 0.000 0.801 99 E CB -0.825 28.854 29.700 -0.034 0.000 0.746 99 E HN 0.534 nan 8.360 nan 0.000 0.450 100 S N 1.197 116.908 115.700 0.018 0.000 2.370 100 S HA -0.130 4.342 4.470 0.003 0.000 0.226 100 S C 2.041 176.675 174.600 0.057 0.000 1.033 100 S CA 1.504 59.709 58.200 0.010 0.000 1.011 100 S CB -0.417 62.763 63.200 -0.033 0.000 0.852 100 S HN 0.122 nan 8.310 nan 0.000 0.457 101 L N 0.912 122.195 121.223 0.099 0.000 2.056 101 L HA -0.021 4.321 4.340 0.003 0.000 0.207 101 L C 2.179 179.195 176.870 0.243 0.000 1.078 101 L CA 2.043 56.996 54.840 0.188 0.000 0.749 101 L CB -0.508 41.689 42.059 0.230 0.000 0.901 101 L HN 0.387 nan 8.230 nan 0.000 0.433 102 K N -0.545 119.992 120.400 0.228 0.000 1.977 102 K HA -0.270 4.052 4.320 0.003 0.000 0.218 102 K C 2.047 178.938 176.600 0.486 0.000 1.051 102 K CA 1.900 58.379 56.287 0.319 0.000 0.953 102 K CB -0.566 32.085 32.500 0.251 0.000 0.727 102 K HN 0.464 nan 8.250 nan 0.000 0.445 103 A N 0.562 123.627 122.820 0.408 0.000 1.915 103 A HA -0.362 3.960 4.320 0.003 0.000 0.220 103 A C 2.391 180.168 177.584 0.322 0.000 1.198 103 A CA 3.289 55.547 52.037 0.368 0.000 0.647 103 A CB -1.577 17.491 19.000 0.115 0.000 0.825 103 A HN 0.666 nan 8.150 nan 0.000 0.456 104 Q N -0.499 119.417 119.800 0.193 0.000 2.077 104 Q HA -0.097 4.245 4.340 0.003 0.000 0.206 104 Q C 2.207 178.390 176.000 0.304 0.000 0.989 104 Q CA 1.858 57.732 55.803 0.118 0.000 0.853 104 Q CB -1.010 27.650 28.738 -0.129 0.000 0.907 104 Q HN 0.751 nan 8.270 nan 0.000 0.418 105 L N -1.353 120.072 121.223 0.335 0.000 2.093 105 L HA -0.056 4.286 4.340 0.003 0.000 0.208 105 L C 2.642 179.575 176.870 0.105 0.000 1.085 105 L CA 1.143 56.117 54.840 0.223 0.000 0.755 105 L CB -0.472 41.625 42.059 0.062 0.000 0.904 105 L HN 0.452 nan 8.230 nan 0.000 0.435 106 F N 0.028 120.103 119.950 0.208 0.000 2.171 106 F HA -0.193 4.336 4.527 0.003 0.000 0.300 106 F C 2.664 178.537 175.800 0.122 0.000 1.090 106 F CA 1.501 59.596 58.000 0.159 0.000 1.293 106 F CB -1.134 37.910 39.000 0.074 0.000 1.013 106 F HN -0.013 nan 8.300 nan 0.000 0.486 107 T N -0.556 114.184 114.554 0.311 0.000 2.674 107 T HA -0.194 4.158 4.350 0.003 0.000 0.265 107 T C 1.985 176.823 174.700 0.229 0.000 1.039 107 T CA 1.328 63.552 62.100 0.207 0.000 1.150 107 T CB -0.278 68.683 68.868 0.154 0.000 0.864 107 T HN 0.159 nan 8.240 nan 0.000 0.427 108 Q N 0.583 120.559 119.800 0.293 0.000 2.135 108 Q HA 0.003 4.345 4.340 0.003 0.000 0.204 108 Q C 2.391 178.636 176.000 0.409 0.000 0.981 108 Q CA 1.157 57.187 55.803 0.378 0.000 0.856 108 Q CB -0.585 28.403 28.738 0.416 0.000 0.902 108 Q HN 0.571 nan 8.270 nan 0.000 0.425 109 I N 0.268 121.028 120.570 0.317 0.000 2.439 109 I HA -0.196 3.976 4.170 0.003 0.000 0.251 109 I C 1.939 178.266 176.117 0.351 0.000 1.139 109 I CA 1.115 62.613 61.300 0.330 0.000 1.438 109 I CB -0.280 37.920 38.000 0.333 0.000 1.085 109 I HN 0.126 nan 8.210 nan 0.000 0.427 110 T N 0.160 114.885 114.554 0.285 0.000 2.857 110 T HA -0.094 4.258 4.350 0.003 0.000 0.266 110 T C 2.059 176.850 174.700 0.153 0.000 1.048 110 T CA 0.876 63.104 62.100 0.213 0.000 1.139 110 T CB -0.171 68.761 68.868 0.108 0.000 0.874 110 T HN 0.249 nan 8.240 nan 0.000 0.455 111 R N 0.018 120.597 120.500 0.133 0.000 2.081 111 R HA -0.008 4.334 4.340 0.003 0.000 0.235 111 R C 1.412 177.619 176.300 -0.154 0.000 1.131 111 R CA 1.297 57.377 56.100 -0.034 0.000 0.960 111 R CB -0.302 29.956 30.300 -0.069 0.000 0.856 111 R HN 0.382 nan 8.270 nan 0.000 0.436 112 F N -0.463 119.554 119.950 0.112 0.000 2.692 112 F HA 0.201 4.730 4.527 0.003 0.000 0.303 112 F C 1.769 177.628 175.800 0.098 0.000 1.114 112 F CA -0.021 58.038 58.000 0.098 0.000 1.361 112 F CB 0.256 39.310 39.000 0.091 0.000 1.063 112 F HN 0.041 nan 8.300 nan 0.000 0.550 113 A N -0.421 122.537 122.820 0.230 0.000 2.066 113 A HA -0.073 4.249 4.320 0.003 0.000 0.218 113 A C 1.977 179.639 177.584 0.131 0.000 1.157 113 A CA 1.569 53.718 52.037 0.188 0.000 0.670 113 A CB -0.553 18.572 19.000 0.207 0.000 0.804 113 A HN 0.290 nan 8.150 nan 0.000 0.453 114 S N -1.818 113.940 115.700 0.096 0.000 2.603 114 S HA 0.462 4.933 4.470 0.003 0.000 0.232 114 S C 0.970 175.600 174.600 0.050 0.000 1.016 114 S CA 0.146 58.381 58.200 0.059 0.000 0.976 114 S CB 0.179 63.396 63.200 0.029 0.000 0.921 114 S HN 0.578 nan 8.310 nan 0.000 0.516 115 G N 1.579 110.434 108.800 0.091 0.000 2.782 115 G HA2 0.502 4.463 3.960 0.003 0.000 0.201 115 G HA3 0.502 4.463 3.960 0.003 0.000 0.201 115 G C -0.468 174.572 174.900 0.234 0.000 1.374 115 G CA -0.506 44.678 45.100 0.139 0.000 1.039 115 G HN 0.313 nan 8.290 nan 0.000 0.576 116 S N -0.486 115.418 115.700 0.340 0.000 2.533 116 S HA 0.392 4.864 4.470 0.003 0.000 0.282 116 S C 1.765 176.468 174.600 0.171 0.000 1.304 116 S CA 0.757 59.087 58.200 0.217 0.000 1.063 116 S CB 0.871 64.191 63.200 0.199 0.000 0.881 116 S HN 0.933 nan 8.310 nan 0.000 0.493 117 K N 5.186 125.646 120.400 0.100 0.000 2.097 117 K HA -0.075 4.247 4.320 0.003 0.000 0.206 117 K C 1.948 178.579 176.600 0.051 0.000 1.049 117 K CA 1.856 58.185 56.287 0.071 0.000 0.933 117 K CB -1.337 31.188 32.500 0.041 0.000 0.717 117 K HN 0.963 nan 8.250 nan 0.000 0.442 118 I N -1.708 118.884 120.570 0.037 0.000 2.286 118 I HA -0.155 4.017 4.170 0.003 0.000 0.248 118 I C 2.000 178.203 176.117 0.144 0.000 1.115 118 I CA 1.419 62.753 61.300 0.056 0.000 1.392 118 I CB -0.466 37.503 38.000 -0.050 0.000 1.065 118 I HN 0.040 nan 8.210 nan 0.000 0.418 119 V N 1.248 121.193 119.914 0.052 0.000 2.548 119 V HA -0.196 3.926 4.120 0.003 0.000 0.249 119 V C 2.520 178.489 176.094 -0.208 0.000 1.055 119 V CA 1.535 63.744 62.300 -0.152 0.000 1.065 119 V CB -0.573 30.949 31.823 -0.501 0.000 0.681 119 V HN 0.460 nan 8.190 nan 0.000 0.462 120 L N 0.590 121.777 121.223 -0.060 0.000 1.976 120 L HA -0.159 4.183 4.340 0.003 0.000 0.209 120 L C 2.515 179.374 176.870 -0.019 0.000 1.071 120 L CA 2.706 57.556 54.840 0.016 0.000 0.746 120 L CB -1.203 40.918 42.059 0.104 0.000 0.890 120 L HN 0.372 nan 8.230 nan 0.000 0.432 121 T N -0.559 113.988 114.554 -0.012 0.000 2.665 121 T HA -0.265 4.087 4.350 0.003 0.000 0.268 121 T C 2.016 176.662 174.700 -0.090 0.000 1.035 121 T CA 1.718 63.798 62.100 -0.034 0.000 1.151 121 T CB -0.405 68.456 68.868 -0.012 0.000 0.862 121 T HN 0.205 nan 8.240 nan 0.000 0.438 122 R N 1.195 121.633 120.500 -0.104 0.000 2.105 122 R HA 0.070 4.412 4.340 0.003 0.000 0.239 122 R C 2.162 178.312 176.300 -0.250 0.000 1.135 122 R CA 1.346 57.308 56.100 -0.229 0.000 0.967 122 R CB -1.047 29.047 30.300 -0.344 0.000 0.861 122 R HN 0.444 nan 8.270 nan 0.000 0.442 123 L N -1.043 120.059 121.223 -0.202 0.000 2.313 123 L HA -0.116 4.226 4.340 0.003 0.000 0.214 123 L C 2.306 179.116 176.870 -0.100 0.000 1.119 123 L CA 0.639 55.380 54.840 -0.165 0.000 0.809 123 L CB -0.197 41.786 42.059 -0.126 0.000 0.933 123 L HN 0.257 nan 8.230 nan 0.000 0.449 124 C N -1.176 118.075 119.300 -0.082 0.000 2.457 124 C HA -0.084 4.378 4.460 0.003 0.000 0.278 124 C C 2.765 177.704 174.990 -0.086 0.000 1.309 124 C CA 0.305 59.290 59.018 -0.055 0.000 1.735 124 C CB -0.301 27.415 27.740 -0.041 0.000 1.992 124 C HN 0.326 nan 8.230 nan 0.000 0.493 125 V N 1.385 121.204 119.914 -0.158 0.000 2.407 125 V HA -0.194 3.928 4.120 0.003 0.000 0.248 125 V C 2.683 178.704 176.094 -0.122 0.000 1.055 125 V CA 2.130 64.295 62.300 -0.226 0.000 1.049 125 V CB -1.186 30.358 31.823 -0.466 0.000 0.662 125 V HN 0.592 nan 8.190 nan 0.000 0.455 126 A N -0.046 122.723 122.820 -0.085 0.000 1.877 126 A HA -0.208 4.114 4.320 0.003 0.000 0.216 126 A C 2.164 179.784 177.584 0.060 0.000 1.186 126 A CA 2.134 54.209 52.037 0.065 0.000 0.620 126 A CB -0.586 18.390 19.000 -0.041 0.000 0.822 126 A HN 0.459 nan 8.150 nan 0.000 0.443 127 L N -0.390 120.838 121.223 0.008 0.000 2.093 127 L HA 0.000 4.342 4.340 0.003 0.000 0.208 127 L C 2.565 179.471 176.870 0.061 0.000 1.085 127 L CA 2.062 56.915 54.840 0.021 0.000 0.755 127 L CB -0.620 41.397 42.059 -0.069 0.000 0.904 127 L HN 0.324 nan 8.230 nan 0.000 0.435 128 A N -1.856 120.975 122.820 0.018 0.000 2.014 128 A HA -0.149 4.173 4.320 0.003 0.000 0.218 128 A C 2.490 180.073 177.584 -0.002 0.000 1.163 128 A CA 1.536 53.573 52.037 0.001 0.000 0.652 128 A CB -0.827 18.152 19.000 -0.036 0.000 0.808 128 A HN 0.502 nan 8.150 nan 0.000 0.449 129 S N -0.549 115.163 115.700 0.020 0.000 2.368 129 S HA -0.084 4.388 4.470 0.003 0.000 0.224 129 S C 1.946 176.480 174.600 -0.109 0.000 1.029 129 S CA 1.239 59.425 58.200 -0.024 0.000 0.988 129 S CB -0.433 62.791 63.200 0.040 0.000 0.838 129 S HN 0.588 nan 8.310 nan 0.000 0.462 130 L N 0.932 122.166 121.223 0.019 0.000 2.093 130 L HA 0.026 4.368 4.340 0.003 0.000 0.208 130 L C 2.474 179.394 176.870 0.083 0.000 1.085 130 L CA 1.504 56.390 54.840 0.075 0.000 0.755 130 L CB -0.695 41.589 42.059 0.375 0.000 0.904 130 L HN 0.402 nan 8.230 nan 0.000 0.435 131 A N 0.322 123.246 122.820 0.173 0.000 1.877 131 A HA -0.183 4.139 4.320 0.003 0.000 0.216 131 A C 2.173 179.778 177.584 0.035 0.000 1.186 131 A CA 1.834 53.998 52.037 0.212 0.000 0.620 131 A CB -0.858 18.141 19.000 -0.002 0.000 0.822 131 A HN 0.502 nan 8.150 nan 0.000 0.443 132 L N -0.474 120.713 121.223 -0.060 0.000 1.994 132 L HA -0.179 4.163 4.340 0.003 0.000 0.208 132 L C 2.870 179.642 176.870 -0.162 0.000 1.071 132 L CA 1.570 56.358 54.840 -0.086 0.000 0.745 132 L CB -0.557 41.465 42.059 -0.061 0.000 0.892 132 L HN 0.323 nan 8.230 nan 0.000 0.431 133 S N -0.468 115.010 115.700 -0.371 0.000 2.402 133 S HA -0.225 4.247 4.470 0.003 0.000 0.233 133 S C 1.945 176.345 174.600 -0.334 0.000 1.030 133 S CA 1.565 59.375 58.200 -0.650 0.000 1.003 133 S CB -0.239 61.919 63.200 -1.736 0.000 0.813 133 S HN 0.311 nan 8.310 nan 0.000 0.477 134 M N 0.943 120.469 119.600 -0.123 0.000 2.098 134 M HA 0.019 4.501 4.480 0.003 0.000 0.262 134 M C 1.230 177.604 176.300 0.125 0.000 1.072 134 M CA 0.757 56.125 55.300 0.114 0.000 1.133 134 M CB -0.471 32.312 32.600 0.305 0.000 1.344 134 M HN 0.404 nan 8.290 nan 0.000 0.414 135 M N 1.349 121.003 119.600 0.090 0.000 2.228 135 M HA 0.078 4.560 4.480 0.003 0.000 0.303 135 M C -1.899 174.430 176.300 0.048 0.000 1.099 135 M CA -0.737 54.605 55.300 0.071 0.000 1.171 135 M CB -0.678 31.931 32.600 0.015 0.000 1.412 135 M HN -0.113 nan 8.290 nan 0.000 0.447 136 P HA -0.024 nan 4.420 nan 0.000 0.219 136 P C 0.399 177.755 177.300 0.094 0.000 1.154 136 P CA 1.205 64.338 63.100 0.054 0.000 0.826 136 P CB 0.139 31.860 31.700 0.034 0.000 0.795 137 D N 1.001 121.462 120.400 0.103 0.000 2.103 137 D HA -0.048 4.594 4.640 0.003 0.000 0.199 137 D C 2.235 178.634 176.300 0.166 0.000 0.978 137 D CA 1.548 55.621 54.000 0.122 0.000 0.829 137 D CB -1.072 39.792 40.800 0.106 0.000 0.981 137 D HN 0.077 nan 8.370 nan 0.000 0.464 138 A N -0.378 122.556 122.820 0.190 0.000 2.024 138 A HA -0.154 4.168 4.320 0.003 0.000 0.220 138 A C 0.528 178.284 177.584 0.288 0.000 1.164 138 A CA 0.874 53.048 52.037 0.228 0.000 0.643 138 A CB -0.341 18.799 19.000 0.233 0.000 0.806 138 A HN 0.329 nan 8.150 nan 0.000 0.451 139 W N -0.363 120.991 121.300 0.092 0.000 2.533 139 W HA 0.485 5.147 4.660 0.003 0.000 0.291 139 W C -2.779 173.782 176.519 0.071 0.000 1.013 139 W CA -2.801 54.599 57.345 0.093 0.000 1.436 139 W CB 1.067 30.591 29.460 0.106 0.000 1.291 139 W HN 0.053 nan 8.180 nan 0.000 0.396 140 P HA -0.123 nan 4.420 nan 0.000 0.215 140 P C 0.344 177.724 177.300 0.133 0.000 1.157 140 P CA 1.798 65.026 63.100 0.214 0.000 0.868 140 P CB 0.442 32.252 31.700 0.183 0.000 0.788 141 C N -1.274 118.138 119.300 0.186 0.000 3.003 141 C HA 0.621 5.083 4.460 0.003 0.000 0.241 141 C C 1.710 176.582 174.990 -0.196 0.000 1.224 141 C CA -0.595 58.434 59.018 0.018 0.000 1.560 141 C CB -0.762 27.030 27.740 0.087 0.000 1.768 141 C HN 0.231 nan 8.230 nan 0.000 0.440 142 A N 1.334 123.740 122.820 -0.689 0.000 1.883 142 A HA -0.092 4.230 4.320 0.003 0.000 0.217 142 A C 2.071 179.358 177.584 -0.496 0.000 1.186 142 A CA 2.280 53.531 52.037 -1.311 0.000 0.624 142 A CB -0.372 17.941 19.000 -1.145 0.000 0.822 142 A HN 0.530 nan 8.150 nan 0.000 0.444 143 V N -0.203 119.565 119.914 -0.242 0.000 2.307 143 V HA -0.214 3.908 4.120 0.003 0.000 0.245 143 V C 3.064 179.158 176.094 -0.001 0.000 1.045 143 V CA 1.873 64.123 62.300 -0.083 0.000 1.024 143 V CB -1.379 30.393 31.823 -0.085 0.000 0.651 143 V HN 0.624 nan 8.190 nan 0.000 0.449 144 A N 0.304 123.125 122.820 0.002 0.000 1.883 144 A HA -0.289 4.033 4.320 0.003 0.000 0.217 144 A C 1.959 179.615 177.584 0.120 0.000 1.186 144 A CA 2.288 54.358 52.037 0.055 0.000 0.624 144 A CB -0.733 18.298 19.000 0.053 0.000 0.822 144 A HN 0.556 nan 8.150 nan 0.000 0.444 145 D N -0.403 120.113 120.400 0.192 0.000 2.117 145 D HA -0.145 4.497 4.640 0.003 0.000 0.197 145 D C 2.043 178.510 176.300 0.278 0.000 0.987 145 D CA 1.606 55.772 54.000 0.277 0.000 0.829 145 D CB -0.420 40.728 40.800 0.579 0.000 0.961 145 D HN 0.533 nan 8.370 nan 0.000 0.460 146 M N 0.113 119.921 119.600 0.347 0.000 2.067 146 M HA -0.139 4.343 4.480 0.003 0.000 0.260 146 M C 2.353 178.927 176.300 0.457 0.000 1.069 146 M CA 1.005 56.594 55.300 0.483 0.000 1.117 146 M CB -0.309 32.530 32.600 0.398 0.000 1.334 146 M HN -0.108 nan 8.290 nan 0.000 0.407 147 V N 1.142 121.221 119.914 0.275 0.000 2.287 147 V HA -0.300 3.822 4.120 0.003 0.000 0.248 147 V C 2.422 178.644 176.094 0.214 0.000 1.053 147 V CA 2.414 64.850 62.300 0.226 0.000 1.027 147 V CB -1.365 30.527 31.823 0.116 0.000 0.646 147 V HN 0.541 nan 8.190 nan 0.000 0.447 148 R N 0.828 121.419 120.500 0.152 0.000 2.081 148 R HA -0.173 4.169 4.340 0.003 0.000 0.235 148 R C 2.230 178.573 176.300 0.072 0.000 1.131 148 R CA 2.030 58.188 56.100 0.096 0.000 0.960 148 R CB -0.757 29.581 30.300 0.065 0.000 0.856 148 R HN 0.452 nan 8.270 nan 0.000 0.436 149 L N 0.367 121.624 121.223 0.057 0.000 2.141 149 L HA 0.050 4.392 4.340 0.003 0.000 0.209 149 L C 1.607 178.385 176.870 -0.153 0.000 1.094 149 L CA 1.494 56.279 54.840 -0.092 0.000 0.763 149 L CB -0.300 41.625 42.059 -0.223 0.000 0.908 149 L HN 0.122 nan 8.230 nan 0.000 0.437 150 F N -0.739 119.267 119.950 0.094 0.000 2.615 150 F HA 0.015 4.543 4.527 0.003 0.000 0.297 150 F C 2.351 178.191 175.800 0.065 0.000 1.124 150 F CA 0.638 58.694 58.000 0.094 0.000 1.451 150 F CB -0.223 38.843 39.000 0.109 0.000 1.103 150 F HN 0.191 nan 8.300 nan 0.000 0.569 151 Q N 0.362 120.268 119.800 0.177 0.000 2.212 151 Q HA 0.130 4.472 4.340 0.003 0.000 0.199 151 Q C 1.612 177.652 176.000 0.067 0.000 0.950 151 Q CA 0.372 56.245 55.803 0.115 0.000 0.863 151 Q CB -0.221 28.571 28.738 0.090 0.000 0.944 151 Q HN 0.312 nan 8.270 nan 0.000 0.465 157 V N 1.722 121.666 119.914 0.051 0.000 2.973 157 V HA 0.634 4.756 4.120 0.003 0.000 0.314 157 V C 0.055 176.186 176.094 0.063 0.000 1.066 157 V CA -0.017 62.321 62.300 0.063 0.000 1.021 157 V CB 1.253 33.134 31.823 0.096 0.000 1.076 157 V HN 0.596 nan 8.190 nan 0.000 0.462 158 D N 2.127 122.563 120.400 0.059 0.000 2.360 158 D HA 0.157 4.798 4.640 0.003 0.000 0.242 158 D C 1.081 177.421 176.300 0.066 0.000 1.184 158 D CA 0.373 54.404 54.000 0.053 0.000 0.930 158 D CB 1.444 42.270 40.800 0.043 0.000 1.161 158 D HN 0.723 nan 8.370 nan 0.000 0.447 159 G N -0.414 108.421 108.800 0.057 0.000 2.418 159 G HA2 -0.342 3.620 3.960 0.003 0.000 0.217 159 G HA3 -0.342 3.620 3.960 0.003 0.000 0.217 159 G C 1.347 176.285 174.900 0.064 0.000 1.158 159 G CA 0.944 46.082 45.100 0.064 0.000 0.771 159 G HN 0.672 nan 8.290 nan 0.000 0.545 160 Q N 0.092 119.923 119.800 0.051 0.000 2.084 160 Q HA -0.028 4.314 4.340 0.003 0.000 0.202 160 Q C 2.673 178.706 176.000 0.054 0.000 0.978 160 Q CA 1.592 57.422 55.803 0.045 0.000 0.844 160 Q CB -0.541 28.218 28.738 0.036 0.000 0.898 160 Q HN 0.391 nan 8.270 nan 0.000 0.426 161 G N -0.293 108.547 108.800 0.067 0.000 2.408 161 G HA2 -0.299 3.663 3.960 0.003 0.000 0.217 161 G HA3 -0.299 3.663 3.960 0.003 0.000 0.217 161 G C 1.630 176.598 174.900 0.113 0.000 1.150 161 G CA 1.002 46.151 45.100 0.082 0.000 0.776 161 G HN 0.460 nan 8.290 nan 0.000 0.542 162 R N -0.255 120.331 120.500 0.144 0.000 2.090 162 R HA 0.042 4.384 4.340 0.003 0.000 0.228 162 R C 2.584 178.964 176.300 0.133 0.000 1.110 162 R CA 1.488 57.735 56.100 0.245 0.000 0.973 162 R CB -1.598 28.873 30.300 0.284 0.000 0.869 162 R HN 0.445 nan 8.270 nan 0.000 0.440 163 C N 0.233 119.580 119.300 0.078 0.000 2.453 163 C HA 0.102 4.564 4.460 0.003 0.000 0.277 163 C C 2.597 177.567 174.990 -0.032 0.000 1.262 163 C CA 1.000 60.029 59.018 0.019 0.000 1.718 163 C CB -1.050 26.709 27.740 0.032 0.000 2.031 163 C HN 0.687 nan 8.230 nan 0.000 0.480 164 L N 0.965 122.184 121.223 -0.006 0.000 2.131 164 L HA -0.081 4.261 4.340 0.003 0.000 0.210 164 L C 2.918 179.757 176.870 -0.051 0.000 1.092 164 L CA 1.536 56.367 54.840 -0.015 0.000 0.759 164 L CB -0.703 41.364 42.059 0.013 0.000 0.903 164 L HN 0.443 nan 8.230 nan 0.000 0.435 165 A N -0.076 122.703 122.820 -0.069 0.000 1.929 165 A HA -0.168 4.154 4.320 0.003 0.000 0.216 165 A C 2.171 179.507 177.584 -0.413 0.000 1.176 165 A CA 1.201 53.160 52.037 -0.130 0.000 0.628 165 A CB -0.494 18.518 19.000 0.019 0.000 0.816 165 A HN 0.317 nan 8.150 nan 0.000 0.444 166 L N -0.351 120.502 121.223 -0.617 0.000 2.141 166 L HA -0.009 4.333 4.340 0.003 0.000 0.209 166 L C 2.078 178.777 176.870 -0.284 0.000 1.094 166 L CA 1.495 55.885 54.840 -0.750 0.000 0.763 166 L CB -0.426 41.316 42.059 -0.528 0.000 0.908 166 L HN 0.373 nan 8.230 nan 0.000 0.437 167 L N -0.853 120.275 121.223 -0.158 0.000 2.131 167 L HA -0.113 4.228 4.340 0.003 0.000 0.206 167 L C 2.516 179.370 176.870 -0.027 0.000 1.087 167 L CA 1.082 55.894 54.840 -0.046 0.000 0.767 167 L CB -0.513 41.536 42.059 -0.017 0.000 0.917 167 L HN 0.272 nan 8.230 nan 0.000 0.441 168 E N 0.833 120.998 120.200 -0.057 0.000 2.058 168 E HA -0.271 4.081 4.350 0.003 0.000 0.194 168 E C 2.016 178.594 176.600 -0.037 0.000 0.997 168 E CA 1.421 57.799 56.400 -0.037 0.000 0.801 168 E CB -0.254 29.424 29.700 -0.035 0.000 0.746 168 E HN 0.240 nan 8.360 nan 0.000 0.450 169 L N 0.156 121.340 121.223 -0.064 0.000 2.017 169 L HA -0.073 4.269 4.340 0.003 0.000 0.208 169 L C 2.123 179.003 176.870 0.016 0.000 1.073 169 L CA 1.700 56.520 54.840 -0.034 0.000 0.745 169 L CB -0.539 41.492 42.059 -0.047 0.000 0.894 169 L HN 0.283 nan 8.230 nan 0.000 0.432 170 L N -1.180 120.076 121.223 0.055 0.000 2.275 170 L HA -0.162 4.180 4.340 0.003 0.000 0.215 170 L C 2.169 179.183 176.870 0.239 0.000 1.119 170 L CA 1.355 56.317 54.840 0.202 0.000 0.790 170 L CB -0.789 41.407 42.059 0.229 0.000 0.919 170 L HN 0.313 nan 8.230 nan 0.000 0.443 171 T N -1.184 113.436 114.554 0.110 0.000 2.894 171 T HA -0.064 4.288 4.350 0.003 0.000 0.258 171 T C 1.910 176.572 174.700 -0.063 0.000 1.043 171 T CA 0.801 62.931 62.100 0.050 0.000 1.141 171 T CB 0.104 68.995 68.868 0.038 0.000 0.873 171 T HN 0.039 nan 8.240 nan 0.000 0.449 172 V N 1.869 121.747 119.914 -0.061 0.000 2.809 172 V HA -0.022 4.100 4.120 0.003 0.000 0.256 172 V C 2.286 178.303 176.094 -0.127 0.000 1.080 172 V CA 0.689 62.930 62.300 -0.097 0.000 1.102 172 V CB -0.561 31.208 31.823 -0.089 0.000 0.705 172 V HN 0.302 nan 8.190 nan 0.000 0.475 173 L N 1.484 122.633 121.223 -0.124 0.000 1.971 173 L HA -0.104 4.238 4.340 0.003 0.000 0.215 173 L C -0.106 176.614 176.870 -0.251 0.000 1.072 173 L CA 2.683 57.431 54.840 -0.152 0.000 0.758 173 L CB -1.796 40.201 42.059 -0.103 0.000 0.889 173 L HN 0.250 nan 8.230 nan 0.000 0.433 174 P HA -0.144 nan 4.420 nan 0.000 0.217 174 P C 1.259 178.434 177.300 -0.208 0.000 1.150 174 P CA 1.534 64.338 63.100 -0.494 0.000 0.832 174 P CB -0.077 31.093 31.700 -0.883 0.000 0.787 175 E N -0.462 119.620 120.200 -0.197 0.000 2.150 175 E HA -0.181 4.171 4.350 0.003 0.000 0.193 175 E C 1.868 178.402 176.600 -0.109 0.000 0.985 175 E CA 0.710 57.030 56.400 -0.134 0.000 0.814 175 E CB -0.343 29.282 29.700 -0.125 0.000 0.752 175 E HN 0.320 nan 8.360 nan 0.000 0.466 176 E N 0.354 120.495 120.200 -0.098 0.000 2.158 176 E HA -0.110 4.242 4.350 0.003 0.000 0.191 176 E C 1.755 178.310 176.600 -0.075 0.000 0.982 176 E CA 0.357 56.712 56.400 -0.076 0.000 0.823 176 E CB -0.113 29.554 29.700 -0.055 0.000 0.766 176 E HN 0.215 nan 8.360 nan 0.000 0.468 177 F N 2.403 122.254 119.950 -0.166 0.000 2.102 177 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 177 F C 2.195 177.915 175.800 -0.133 0.000 1.105 177 F CA 1.397 59.303 58.000 -0.157 0.000 1.239 177 F CB -0.162 38.724 39.000 -0.190 0.000 0.991 177 F HN -0.073 nan 8.300 nan 0.000 0.474 178 Q N -0.004 119.622 119.800 -0.290 0.000 2.197 178 Q HA -0.183 4.159 4.340 0.003 0.000 0.207 178 Q C 2.256 178.070 176.000 -0.310 0.000 0.984 178 Q CA 2.276 57.888 55.803 -0.319 0.000 0.869 178 Q CB -1.263 27.392 28.738 -0.138 0.000 0.906 178 Q HN 0.660 nan 8.270 nan 0.000 0.426 179 T N -3.612 110.797 114.554 -0.241 0.000 3.044 179 T HA 0.217 4.568 4.350 0.003 0.000 0.250 179 T C 1.112 175.689 174.700 -0.206 0.000 1.081 179 T CA 0.452 62.441 62.100 -0.186 0.000 1.040 179 T CB -0.052 68.745 68.868 -0.118 0.000 0.962 179 T HN 0.213 nan 8.240 nan 0.000 0.506 180 S N 2.761 118.301 115.700 -0.268 0.000 2.555 180 S HA 0.313 4.785 4.470 0.003 0.000 0.293 180 S C 0.437 174.884 174.600 -0.256 0.000 1.248 180 S CA -0.409 57.644 58.200 -0.245 0.000 1.096 180 S CB -0.063 62.983 63.200 -0.257 0.000 0.881 180 S HN 0.248 nan 8.310 nan 0.000 0.498 181 R N 3.677 124.066 120.500 -0.184 0.000 2.248 181 R HA 0.433 4.774 4.340 0.003 0.000 0.337 181 R C -0.490 175.727 176.300 -0.139 0.000 1.106 181 R CA 0.035 56.041 56.100 -0.156 0.000 0.959 181 R CB -0.498 29.729 30.300 -0.122 0.000 1.075 181 R HN 0.697 nan 8.270 nan 0.000 0.480 182 L N 3.323 124.463 121.223 -0.139 0.000 2.283 182 L HA 0.598 4.940 4.340 0.003 0.000 0.259 182 L C -2.051 174.779 176.870 -0.066 0.000 1.027 182 L CA -2.296 52.486 54.840 -0.096 0.000 0.828 182 L CB 2.040 44.047 42.059 -0.086 0.000 1.380 182 L HN 0.245 nan 8.230 nan 0.000 0.425 183 P HA 0.266 nan 4.420 nan 0.000 0.279 183 P C 0.409 177.703 177.300 -0.010 0.000 1.239 183 P CA -0.200 62.887 63.100 -0.023 0.000 0.789 183 P CB 1.115 32.807 31.700 -0.013 0.000 0.933 184 Q N 1.221 121.016 119.800 -0.008 0.000 2.142 184 Q HA -0.328 4.014 4.340 0.003 0.000 0.213 184 Q C 2.321 178.329 176.000 0.014 0.000 1.004 184 Q CA 3.144 58.949 55.803 0.003 0.000 0.883 184 Q CB -2.369 26.370 28.738 0.001 0.000 0.939 184 Q HN 0.669 nan 8.270 nan 0.000 0.413 185 Y N 0.393 120.699 120.300 0.011 0.000 2.163 185 Y HA -0.020 4.532 4.550 0.003 0.000 0.288 185 Y C 2.522 178.434 175.900 0.021 0.000 1.136 185 Y CA 2.528 60.638 58.100 0.016 0.000 1.147 185 Y CB -0.668 37.800 38.460 0.014 0.000 0.987 185 Y HN 0.515 nan 8.280 nan 0.000 0.509 186 R N 1.067 121.577 120.500 0.017 0.000 2.070 186 R HA -0.076 4.266 4.340 0.003 0.000 0.233 186 R C 2.503 178.826 176.300 0.040 0.000 1.137 186 R CA 2.646 58.758 56.100 0.020 0.000 0.945 186 R CB -0.871 29.431 30.300 0.004 0.000 0.845 186 R HN 0.469 nan 8.270 nan 0.000 0.430 187 K N -0.126 120.302 120.400 0.047 0.000 2.103 187 K HA -0.039 4.283 4.320 0.003 0.000 0.207 187 K C 2.301 178.983 176.600 0.137 0.000 1.048 187 K CA 1.818 58.174 56.287 0.115 0.000 0.930 187 K CB -1.728 30.814 32.500 0.069 0.000 0.716 187 K HN 0.581 nan 8.250 nan 0.000 0.444 188 G N 0.699 109.544 108.800 0.074 0.000 2.402 188 G HA2 0.081 4.043 3.960 0.003 0.000 0.216 188 G HA3 0.081 4.043 3.960 0.003 0.000 0.216 188 G C 1.993 176.910 174.900 0.029 0.000 1.162 188 G CA 2.078 47.209 45.100 0.053 0.000 0.777 188 G HN 0.949 nan 8.290 nan 0.000 0.539 189 L N 0.207 121.447 121.223 0.027 0.000 2.017 189 L HA 0.105 4.447 4.340 0.003 0.000 0.208 189 L C 3.102 179.969 176.870 -0.005 0.000 1.073 189 L CA 2.310 57.158 54.840 0.013 0.000 0.745 189 L CB -1.414 40.658 42.059 0.021 0.000 0.894 189 L HN 0.210 nan 8.230 nan 0.000 0.432 190 V N -0.963 118.957 119.914 0.011 0.000 2.295 190 V HA -0.219 3.903 4.120 0.003 0.000 0.246 190 V C 2.982 178.974 176.094 -0.171 0.000 1.049 190 V CA 1.912 64.198 62.300 -0.024 0.000 1.024 190 V CB -0.637 31.241 31.823 0.092 0.000 0.648 190 V HN 0.723 nan 8.190 nan 0.000 0.447 191 R N 0.159 120.550 120.500 -0.182 0.000 2.091 191 R HA -0.130 4.212 4.340 0.003 0.000 0.238 191 R C 2.339 178.507 176.300 -0.219 0.000 1.136 191 R CA 2.153 58.029 56.100 -0.374 0.000 0.959 191 R CB -1.254 28.963 30.300 -0.138 0.000 0.856 191 R HN 0.595 nan 8.270 nan 0.000 0.437 192 T N 0.321 114.811 114.554 -0.107 0.000 2.674 192 T HA -0.134 4.218 4.350 0.003 0.000 0.265 192 T C 2.192 176.846 174.700 -0.076 0.000 1.039 192 T CA 2.121 64.179 62.100 -0.069 0.000 1.150 192 T CB -0.565 68.284 68.868 -0.033 0.000 0.864 192 T HN 0.501 nan 8.240 nan 0.000 0.427 193 S N 1.011 116.667 115.700 -0.074 0.000 2.399 193 S HA 0.002 4.474 4.470 0.003 0.000 0.231 193 S C 1.971 176.519 174.600 -0.085 0.000 1.022 193 S CA 1.003 59.164 58.200 -0.064 0.000 0.983 193 S CB -0.623 62.549 63.200 -0.046 0.000 0.803 193 S HN 0.171 nan 8.310 nan 0.000 0.480 194 L N 1.143 122.284 121.223 -0.138 0.000 2.083 194 L HA 0.092 4.434 4.340 0.003 0.000 0.209 194 L C 2.775 179.629 176.870 -0.027 0.000 1.083 194 L CA 1.524 56.290 54.840 -0.124 0.000 0.752 194 L CB -0.924 40.923 42.059 -0.354 0.000 0.899 194 L HN 0.382 nan 8.230 nan 0.000 0.433 195 A N -1.703 121.069 122.820 -0.080 0.000 1.969 195 A HA -0.100 4.222 4.320 0.003 0.000 0.218 195 A C 2.264 179.792 177.584 -0.094 0.000 1.169 195 A CA 1.612 53.609 52.037 -0.067 0.000 0.635 195 A CB -0.694 18.264 19.000 -0.070 0.000 0.810 195 A HN 0.246 nan 8.150 nan 0.000 0.445 196 V N 0.169 120.034 119.914 -0.082 0.000 2.453 196 V HA -0.144 3.978 4.120 0.003 0.000 0.247 196 V C 2.360 178.385 176.094 -0.115 0.000 1.048 196 V CA 1.777 64.024 62.300 -0.088 0.000 1.049 196 V CB -0.616 31.171 31.823 -0.060 0.000 0.672 196 V HN 0.477 nan 8.190 nan 0.000 0.457 197 E N -0.681 119.460 120.200 -0.098 0.000 2.265 197 E HA -0.217 4.134 4.350 0.003 0.000 0.196 197 E C 2.160 178.594 176.600 -0.277 0.000 0.996 197 E CA 1.321 57.650 56.400 -0.120 0.000 0.832 197 E CB -0.772 28.911 29.700 -0.028 0.000 0.756 197 E HN 0.639 nan 8.360 nan 0.000 0.491 198 C N 0.602 119.685 119.300 -0.361 0.000 2.449 198 C HA 0.075 4.537 4.460 0.003 0.000 0.283 198 C C 2.542 177.160 174.990 -0.621 0.000 1.453 198 C CA 0.806 59.365 59.018 -0.766 0.000 1.779 198 C CB -1.310 26.041 27.740 -0.648 0.000 1.779 198 C HN 0.495 nan 8.230 nan 0.000 0.546 199 G N -0.224 108.361 108.800 -0.359 0.000 2.448 199 G HA2 0.123 4.085 3.960 0.003 0.000 0.218 199 G HA3 0.123 4.085 3.960 0.003 0.000 0.218 199 G C 1.789 176.577 174.900 -0.187 0.000 1.135 199 G CA 0.885 45.841 45.100 -0.239 0.000 0.784 199 G HN 0.652 nan 8.290 nan 0.000 0.543 200 A N -0.212 122.484 122.820 -0.206 0.000 1.997 200 A HA 0.401 4.722 4.320 0.003 0.000 0.212 200 A C 2.444 179.932 177.584 -0.159 0.000 1.178 200 A CA 0.944 52.896 52.037 -0.141 0.000 0.698 200 A CB -0.133 18.804 19.000 -0.105 0.000 0.842 200 A HN 0.153 nan 8.150 nan 0.000 0.458 201 V N -0.521 119.210 119.914 -0.305 0.000 2.229 201 V HA -0.202 3.919 4.120 0.003 0.000 0.243 201 V C 2.286 178.337 176.094 -0.073 0.000 1.042 201 V CA 2.002 64.115 62.300 -0.311 0.000 1.000 201 V CB -0.977 30.345 31.823 -0.836 0.000 0.637 201 V HN 0.512 nan 8.190 nan 0.000 0.446 202 F N 0.152 119.895 119.950 -0.344 0.000 2.063 202 F HA -0.127 4.402 4.527 0.004 0.000 0.298 202 F C 0.231 175.936 175.800 -0.157 0.000 1.109 202 F CA 1.611 59.483 58.000 -0.214 0.000 1.212 202 F CB -2.693 36.204 39.000 -0.171 0.000 0.973 202 F HN 0.254 nan 8.300 nan 0.000 0.480 203 P HA -0.212 nan 4.420 nan 0.000 0.216 203 P C 2.094 179.380 177.300 -0.023 0.000 1.157 203 P CA 1.367 64.466 63.100 -0.002 0.000 0.880 203 P CB -0.145 31.547 31.700 -0.013 0.000 0.791 204 L N -0.882 120.328 121.223 -0.021 0.000 2.017 204 L HA -0.160 4.182 4.340 0.003 0.000 0.208 204 L C 2.126 178.975 176.870 -0.035 0.000 1.073 204 L CA 1.862 56.690 54.840 -0.020 0.000 0.745 204 L CB -1.503 40.548 42.059 -0.013 0.000 0.894 204 L HN -0.093 nan 8.230 nan 0.000 0.432 205 L N -0.724 120.468 121.223 -0.051 0.000 2.046 205 L HA -0.206 4.136 4.340 0.003 0.000 0.208 205 L C 2.525 179.321 176.870 -0.123 0.000 1.077 205 L CA 1.607 56.395 54.840 -0.087 0.000 0.747 205 L CB -0.763 41.219 42.059 -0.129 0.000 0.896 205 L HN 0.352 nan 8.230 nan 0.000 0.432 206 E N -0.109 120.009 120.200 -0.138 0.000 2.058 206 E HA -0.269 4.083 4.350 0.003 0.000 0.194 206 E C 2.242 178.790 176.600 -0.086 0.000 0.997 206 E CA 1.139 57.457 56.400 -0.137 0.000 0.801 206 E CB -0.117 29.511 29.700 -0.121 0.000 0.746 206 E HN 0.483 nan 8.360 nan 0.000 0.450 207 Q N 0.536 120.300 119.800 -0.059 0.000 2.014 207 Q HA -0.214 4.128 4.340 0.003 0.000 0.207 207 Q C 2.412 178.390 176.000 -0.036 0.000 0.993 207 Q CA 1.495 57.276 55.803 -0.038 0.000 0.850 207 Q CB -0.267 28.457 28.738 -0.023 0.000 0.916 207 Q HN 0.313 nan 8.270 nan 0.000 0.417 208 L N 0.091 121.293 121.223 -0.035 0.000 2.081 208 L HA -0.253 4.089 4.340 0.003 0.000 0.212 208 L C 2.220 179.069 176.870 -0.035 0.000 1.080 208 L CA 0.695 55.518 54.840 -0.028 0.000 0.754 208 L CB -0.420 41.625 42.059 -0.024 0.000 0.893 208 L HN 0.244 nan 8.230 nan 0.000 0.433 209 L N -0.280 120.910 121.223 -0.055 0.000 2.131 209 L HA -0.123 4.219 4.340 0.003 0.000 0.206 209 L C 2.973 179.816 176.870 -0.045 0.000 1.087 209 L CA 2.048 56.854 54.840 -0.057 0.000 0.767 209 L CB -1.295 40.710 42.059 -0.090 0.000 0.917 209 L HN 0.321 nan 8.230 nan 0.000 0.441 210 Q N -0.277 119.495 119.800 -0.047 0.000 2.444 210 Q HA 0.313 4.655 4.340 0.003 0.000 0.206 210 Q C 1.123 177.109 176.000 -0.024 0.000 0.948 210 Q CA 0.871 56.652 55.803 -0.036 0.000 0.946 210 Q CB -1.272 27.442 28.738 -0.039 0.000 1.027 210 Q HN 0.590 nan 8.270 nan 0.000 0.513 211 Q N 1.427 121.214 119.800 -0.021 0.000 2.360 211 Q HA 0.455 4.796 4.340 0.003 0.000 0.254 211 Q C -1.937 174.058 176.000 -0.009 0.000 0.975 211 Q CA -1.742 54.053 55.803 -0.012 0.000 0.912 211 Q CB 0.615 29.348 28.738 -0.009 0.000 1.212 211 Q HN 0.360 nan 8.270 nan 0.000 0.452 212 P HA -0.165 nan 4.420 nan 0.000 0.228 212 P C 0.968 178.267 177.300 -0.001 0.000 1.151 212 P CA 1.710 64.808 63.100 -0.004 0.000 0.770 212 P CB 0.184 31.882 31.700 -0.003 0.000 0.786 213 S N -2.533 113.167 115.700 0.000 0.000 2.562 213 S HA 0.076 4.548 4.470 0.003 0.000 0.221 213 S C 0.978 175.581 174.600 0.005 0.000 0.975 213 S CA -0.233 57.969 58.200 0.004 0.000 0.918 213 S CB -0.740 62.463 63.200 0.006 0.000 0.772 213 S HN -0.055 nan 8.310 nan 0.000 0.531 214 S N 4.764 120.465 115.700 0.002 0.000 2.505 214 S HA 0.390 4.862 4.470 0.003 0.000 0.276 214 S C -2.132 172.470 174.600 0.004 0.000 1.274 214 S CA -0.899 57.303 58.200 0.002 0.000 1.053 214 S CB 0.633 63.831 63.200 -0.004 0.000 0.919 214 S HN 0.449 nan 8.310 nan 0.000 0.490 215 P HA 0.196 nan 4.420 nan 0.000 0.277 215 P C 0.827 178.132 177.300 0.008 0.000 1.240 215 P CA -0.385 62.720 63.100 0.008 0.000 0.798 215 P CB 0.989 32.696 31.700 0.011 0.000 0.979 216 S N 1.507 117.212 115.700 0.009 0.000 2.380 216 S HA -0.225 4.246 4.470 0.003 0.000 0.229 216 S C 1.900 176.507 174.600 0.010 0.000 1.043 216 S CA 2.191 60.397 58.200 0.010 0.000 1.038 216 S CB -1.125 62.082 63.200 0.012 0.000 0.872 216 S HN 0.672 nan 8.310 nan 0.000 0.456 217 C N 0.094 119.400 119.300 0.011 0.000 2.425 217 C HA 0.110 4.572 4.460 0.003 0.000 0.277 217 C C 2.426 177.422 174.990 0.010 0.000 1.280 217 C CA 0.495 59.520 59.018 0.012 0.000 1.744 217 C CB -1.671 26.077 27.740 0.013 0.000 1.989 217 C HN 0.405 nan 8.230 nan 0.000 0.491 218 V N 1.490 121.410 119.914 0.009 0.000 2.453 218 V HA -0.142 3.979 4.120 0.003 0.000 0.247 218 V C 3.074 179.170 176.094 0.003 0.000 1.048 218 V CA 2.031 64.335 62.300 0.007 0.000 1.049 218 V CB -0.660 31.167 31.823 0.007 0.000 0.672 218 V HN 0.527 nan 8.190 nan 0.000 0.457 219 R N -0.107 120.393 120.500 0.001 0.000 2.091 219 R HA -0.219 4.123 4.340 0.003 0.000 0.238 219 R C 2.579 178.880 176.300 0.001 0.000 1.136 219 R CA 1.950 58.048 56.100 -0.004 0.000 0.959 219 R CB -0.718 29.580 30.300 -0.003 0.000 0.856 219 R HN 0.680 nan 8.270 nan 0.000 0.437 220 Q N 1.767 121.572 119.800 0.008 0.000 2.050 220 Q HA -0.165 4.177 4.340 0.003 0.000 0.202 220 Q C 2.000 178.010 176.000 0.016 0.000 0.980 220 Q CA 1.558 57.368 55.803 0.012 0.000 0.840 220 Q CB -0.468 28.277 28.738 0.013 0.000 0.898 220 Q HN 0.164 nan 8.270 nan 0.000 0.424 221 K N 0.066 120.475 120.400 0.015 0.000 2.097 221 K HA -0.034 4.287 4.320 0.003 0.000 0.206 221 K C 2.147 178.768 176.600 0.036 0.000 1.049 221 K CA 1.244 57.544 56.287 0.022 0.000 0.933 221 K CB -0.677 31.832 32.500 0.014 0.000 0.717 221 K HN 0.388 nan 8.250 nan 0.000 0.442 222 V N 1.772 121.701 119.914 0.025 0.000 2.343 222 V HA -0.221 3.901 4.120 0.003 0.000 0.247 222 V C 2.430 178.560 176.094 0.060 0.000 1.051 222 V CA 1.413 63.730 62.300 0.028 0.000 1.036 222 V CB -0.386 31.428 31.823 -0.015 0.000 0.654 222 V HN 0.186 nan 8.190 nan 0.000 0.451 223 L N -0.598 120.653 121.223 0.047 0.000 2.046 223 L HA -0.207 4.134 4.340 0.003 0.000 0.208 223 L C 2.552 179.498 176.870 0.127 0.000 1.077 223 L CA 1.742 56.637 54.840 0.091 0.000 0.747 223 L CB -0.581 41.503 42.059 0.041 0.000 0.896 223 L HN 0.262 nan 8.230 nan 0.000 0.432 224 K N -1.008 119.437 120.400 0.075 0.000 2.097 224 K HA -0.208 4.114 4.320 0.003 0.000 0.206 224 K C 2.284 178.940 176.600 0.094 0.000 1.049 224 K CA 1.518 57.840 56.287 0.059 0.000 0.933 224 K CB -0.472 32.047 32.500 0.031 0.000 0.717 224 K HN 0.380 nan 8.250 nan 0.000 0.442 225 C N 0.532 119.916 119.300 0.141 0.000 2.453 225 C HA -0.106 4.355 4.460 0.003 0.000 0.277 225 C C 2.395 177.604 174.990 0.364 0.000 1.262 225 C CA 0.345 59.500 59.018 0.229 0.000 1.718 225 C CB -0.993 26.878 27.740 0.217 0.000 2.031 225 C HN 0.519 nan 8.230 nan 0.000 0.480 226 F N 1.991 122.015 119.950 0.123 0.000 2.126 226 F HA -0.084 4.445 4.527 0.004 0.000 0.299 226 F C 2.395 178.285 175.800 0.150 0.000 1.096 226 F CA 2.191 60.244 58.000 0.088 0.000 1.255 226 F CB -0.820 38.113 39.000 -0.113 0.000 0.997 226 F HN 0.177 nan 8.300 nan 0.000 0.479 227 S N -0.865 114.779 115.700 -0.093 0.000 2.423 227 S HA -0.181 4.291 4.470 0.003 0.000 0.231 227 S C 2.270 176.799 174.600 -0.118 0.000 1.014 227 S CA 1.100 59.172 58.200 -0.214 0.000 0.965 227 S CB -0.546 62.595 63.200 -0.099 0.000 0.785 227 S HN 0.543 nan 8.310 nan 0.000 0.495 228 S N 0.009 115.699 115.700 -0.017 0.000 2.371 228 S HA -0.082 4.390 4.470 0.003 0.000 0.224 228 S C 1.391 175.915 174.600 -0.126 0.000 1.029 228 S CA 0.915 59.066 58.200 -0.081 0.000 0.978 228 S CB -0.349 62.790 63.200 -0.101 0.000 0.833 228 S HN 0.714 nan 8.310 nan 0.000 0.466 229 W N 1.083 122.374 121.300 -0.016 0.000 2.519 229 W HA 0.139 4.800 4.660 0.002 0.000 0.266 229 W C 2.223 178.717 176.519 -0.043 0.000 1.253 229 W CA 0.164 57.515 57.345 0.010 0.000 1.274 229 W CB -0.631 28.924 29.460 0.158 0.000 1.114 229 W HN 0.100 nan 8.180 nan 0.000 0.596 230 V N 0.648 120.576 119.914 0.024 0.000 2.490 230 V HA -0.283 3.839 4.120 0.003 0.000 0.250 230 V C 2.294 178.359 176.094 -0.048 0.000 1.061 230 V CA 1.579 63.813 62.300 -0.109 0.000 1.064 230 V CB -0.512 31.069 31.823 -0.403 0.000 0.670 230 V HN 0.199 nan 8.190 nan 0.000 0.461 231 Q N -0.487 119.279 119.800 -0.057 0.000 2.369 231 Q HA 0.009 4.351 4.340 0.003 0.000 0.206 231 Q C 2.001 177.994 176.000 -0.012 0.000 0.963 231 Q CA 0.937 56.715 55.803 -0.041 0.000 0.894 231 Q CB -0.169 28.533 28.738 -0.060 0.000 0.965 231 Q HN 0.538 nan 8.270 nan 0.000 0.475 232 L N 0.606 121.823 121.223 -0.009 0.000 2.610 232 L HA -0.020 4.322 4.340 0.003 0.000 0.232 232 L C 0.081 176.971 176.870 0.033 0.000 1.149 232 L CA 0.253 55.097 54.840 0.006 0.000 0.872 232 L CB -0.284 41.752 42.059 -0.038 0.000 0.992 232 L HN 0.233 nan 8.230 nan 0.000 0.447 233 E N -0.715 119.511 120.200 0.043 0.000 2.513 233 E HA -0.197 4.155 4.350 0.003 0.000 0.257 233 E C 0.091 176.733 176.600 0.071 0.000 1.098 233 E CA 0.144 56.581 56.400 0.061 0.000 0.752 233 E CB -1.359 28.379 29.700 0.063 0.000 1.324 233 E HN 0.207 nan 8.360 nan 0.000 0.403 234 V N 0.749 120.701 119.914 0.063 0.000 2.843 234 V HA 0.134 4.256 4.120 0.003 0.000 0.305 234 V C -1.857 174.248 176.094 0.019 0.000 1.065 234 V CA -1.157 61.159 62.300 0.027 0.000 1.116 234 V CB 0.821 32.636 31.823 -0.013 0.000 0.968 234 V HN -0.001 nan 8.190 nan 0.000 0.487 235 P HA -0.069 nan 4.420 nan 0.000 0.260 235 P C 0.494 177.505 177.300 -0.482 0.000 1.172 235 P CA 0.251 63.148 63.100 -0.339 0.000 0.760 235 P CB 0.373 31.866 31.700 -0.345 0.000 0.773 236 L N 4.613 125.455 121.223 -0.635 0.000 2.129 236 L HA -0.234 4.108 4.340 0.003 0.000 0.212 236 L C 2.135 178.847 176.870 -0.264 0.000 1.087 236 L CA 1.885 56.568 54.840 -0.263 0.000 0.757 236 L CB -1.005 41.037 42.059 -0.029 0.000 0.896 236 L HN 0.444 nan 8.230 nan 0.000 0.434 237 Q N -0.935 118.552 119.800 -0.521 0.000 2.124 237 Q HA -0.216 4.126 4.340 0.003 0.000 0.202 237 Q C 1.350 177.294 176.000 -0.093 0.000 0.977 237 Q CA 1.768 57.432 55.803 -0.232 0.000 0.850 237 Q CB -0.002 28.608 28.738 -0.214 0.000 0.901 237 Q HN 0.552 nan 8.270 nan 0.000 0.429 238 D N -0.595 119.760 120.400 -0.075 0.000 2.310 238 D HA -0.088 4.554 4.640 0.003 0.000 0.212 238 D C 1.308 177.755 176.300 0.245 0.000 0.965 238 D CA 0.584 54.628 54.000 0.073 0.000 0.879 238 D CB -0.111 40.710 40.800 0.034 0.000 0.921 238 D HN 0.314 nan 8.370 nan 0.000 0.510 239 C N 0.429 119.849 119.300 0.201 0.000 2.634 239 C HA 0.105 4.567 4.460 0.003 0.000 0.268 239 C C 2.302 177.303 174.990 0.019 0.000 1.322 239 C CA -0.577 58.559 59.018 0.197 0.000 1.737 239 C CB -0.365 27.585 27.740 0.350 0.000 1.976 239 C HN 0.359 nan 8.230 nan 0.000 0.547 240 E N 2.042 122.250 120.200 0.014 0.000 2.086 240 E HA -0.305 4.047 4.350 0.003 0.000 0.205 240 E C 2.356 178.923 176.600 -0.056 0.000 1.027 240 E CA 1.828 58.222 56.400 -0.010 0.000 0.830 240 E CB -0.262 29.429 29.700 -0.015 0.000 0.751 240 E HN 0.711 nan 8.360 nan 0.000 0.456 241 A N 1.049 123.818 122.820 -0.086 0.000 1.883 241 A HA -0.170 4.152 4.320 0.003 0.000 0.217 241 A C 2.218 179.667 177.584 -0.225 0.000 1.186 241 A CA 1.227 53.189 52.037 -0.125 0.000 0.624 241 A CB -0.631 18.303 19.000 -0.109 0.000 0.822 241 A HN 0.159 nan 8.150 nan 0.000 0.444 242 L N -0.769 120.213 121.223 -0.402 0.000 2.156 242 L HA -0.070 4.272 4.340 0.003 0.000 0.208 242 L C 2.399 178.924 176.870 -0.575 0.000 1.095 242 L CA 0.756 55.176 54.840 -0.700 0.000 0.770 242 L CB -0.322 40.874 42.059 -1.438 0.000 0.914 242 L HN 0.389 nan 8.230 nan 0.000 0.439 243 I N -0.556 119.828 120.570 -0.311 0.000 2.315 243 I HA -0.318 3.854 4.170 0.003 0.000 0.248 243 I C 2.634 178.836 176.117 0.141 0.000 1.117 243 I CA 1.201 62.486 61.300 -0.024 0.000 1.404 243 I CB -0.200 37.894 38.000 0.157 0.000 1.071 243 I HN 0.371 nan 8.210 nan 0.000 0.419 244 Q N 1.029 120.870 119.800 0.067 0.000 2.119 244 Q HA -0.198 4.144 4.340 0.003 0.000 0.201 244 Q C 2.308 178.350 176.000 0.070 0.000 0.972 244 Q CA 1.688 57.548 55.803 0.095 0.000 0.847 244 Q CB -0.029 28.703 28.738 -0.009 0.000 0.903 244 Q HN 0.545 nan 8.270 nan 0.000 0.433 245 A N 0.544 123.338 122.820 -0.044 0.000 1.930 245 A HA -0.035 4.287 4.320 0.003 0.000 0.217 245 A C 2.227 179.780 177.584 -0.053 0.000 1.175 245 A CA 1.396 53.392 52.037 -0.069 0.000 0.627 245 A CB -0.750 18.160 19.000 -0.149 0.000 0.815 245 A HN 0.525 nan 8.150 nan 0.000 0.443 246 A N -1.172 121.592 122.820 -0.093 0.000 1.898 246 A HA 0.014 4.336 4.320 0.003 0.000 0.216 246 A C 1.932 179.470 177.584 -0.077 0.000 1.181 246 A CA 1.393 53.363 52.037 -0.110 0.000 0.620 246 A CB -0.713 18.192 19.000 -0.157 0.000 0.819 246 A HN 0.437 nan 8.150 nan 0.000 0.442 247 F N 0.293 120.216 119.950 -0.044 0.000 2.134 247 F HA -0.143 4.385 4.527 0.002 0.000 0.299 247 F C 2.781 178.580 175.800 -0.001 0.000 1.097 247 F CA 1.263 59.253 58.000 -0.017 0.000 1.264 247 F CB -0.431 38.558 39.000 -0.019 0.000 1.001 247 F HN 0.259 nan 8.300 nan 0.000 0.479 248 A N -0.376 122.554 122.820 0.182 0.000 1.972 248 A HA -0.050 4.272 4.320 0.003 0.000 0.219 248 A C 2.270 179.898 177.584 0.073 0.000 1.169 248 A CA 1.537 53.635 52.037 0.101 0.000 0.635 248 A CB -1.190 17.842 19.000 0.053 0.000 0.810 248 A HN 0.304 nan 8.150 nan 0.000 0.446 249 A N -0.573 122.276 122.820 0.048 0.000 2.167 249 A HA 0.209 4.531 4.320 0.003 0.000 0.214 249 A C 1.838 179.473 177.584 0.084 0.000 1.151 249 A CA 0.717 52.778 52.037 0.040 0.000 0.735 249 A CB -0.503 18.499 19.000 0.003 0.000 0.802 249 A HN 0.461 nan 8.150 nan 0.000 0.467 250 L N -1.056 120.232 121.223 0.109 0.000 2.450 250 L HA -0.199 4.143 4.340 0.003 0.000 0.224 250 L C 3.178 180.203 176.870 0.258 0.000 1.149 250 L CA 1.064 56.045 54.840 0.235 0.000 0.816 250 L CB -0.596 41.584 42.059 0.202 0.000 0.932 250 L HN 0.638 nan 8.230 nan 0.000 0.449 251 Q N -0.451 119.434 119.800 0.142 0.000 2.137 251 Q HA -0.135 4.207 4.340 0.003 0.000 0.198 251 Q C 1.087 177.124 176.000 0.061 0.000 0.960 251 Q CA 1.396 57.251 55.803 0.087 0.000 0.847 251 Q CB -0.400 28.375 28.738 0.061 0.000 0.915 251 Q HN 0.414 nan 8.270 nan 0.000 0.448 252 D N -0.652 119.792 120.400 0.073 0.000 2.325 252 D HA 0.418 5.060 4.640 0.003 0.000 0.251 252 D C 1.301 177.643 176.300 0.071 0.000 1.196 252 D CA 0.594 54.627 54.000 0.053 0.000 0.866 252 D CB 1.027 41.855 40.800 0.047 0.000 1.101 252 D HN 0.321 nan 8.370 nan 0.000 0.476 253 S N 3.457 119.173 115.700 0.027 0.000 2.374 253 S HA -0.255 4.217 4.470 0.003 0.000 0.227 253 S C 1.838 176.477 174.600 0.065 0.000 1.037 253 S CA 2.263 60.471 58.200 0.014 0.000 1.024 253 S CB -0.629 62.555 63.200 -0.027 0.000 0.861 253 S HN 0.676 nan 8.310 nan 0.000 0.456 254 E N 0.213 120.443 120.200 0.051 0.000 2.153 254 E HA 0.113 4.464 4.350 0.003 0.000 0.194 254 E C 1.854 178.495 176.600 0.069 0.000 0.988 254 E CA 1.517 57.947 56.400 0.050 0.000 0.811 254 E CB -0.617 29.101 29.700 0.030 0.000 0.746 254 E HN 0.501 nan 8.360 nan 0.000 0.466 255 L N -0.935 120.338 121.223 0.083 0.000 2.529 255 L HA 0.253 4.595 4.340 0.003 0.000 0.223 255 L C 2.022 178.954 176.870 0.102 0.000 1.113 255 L CA 0.238 55.122 54.840 0.073 0.000 0.861 255 L CB -0.649 41.440 42.059 0.049 0.000 1.012 255 L HN 0.416 nan 8.230 nan 0.000 0.461 256 F N 1.533 121.477 119.950 -0.011 0.000 2.045 256 F HA -0.345 4.185 4.527 0.004 0.000 0.297 256 F C 2.180 177.971 175.800 -0.015 0.000 1.114 256 F CA 2.110 60.103 58.000 -0.012 0.000 1.207 256 F CB -0.245 38.753 39.000 -0.003 0.000 0.964 256 F HN 0.199 nan 8.300 nan 0.000 0.486 257 D N 0.038 120.474 120.400 0.061 0.000 2.106 257 D HA -0.217 4.425 4.640 0.003 0.000 0.191 257 D C 2.585 178.822 176.300 -0.105 0.000 0.997 257 D CA 2.042 56.015 54.000 -0.046 0.000 0.834 257 D CB -0.984 39.834 40.800 0.031 0.000 0.956 257 D HN 0.497 nan 8.370 nan 0.000 0.448 258 S N 0.209 115.875 115.700 -0.056 0.000 2.356 258 S HA -0.168 4.304 4.470 0.003 0.000 0.223 258 S C 2.032 176.582 174.600 -0.083 0.000 1.032 258 S CA 2.489 60.659 58.200 -0.051 0.000 1.005 258 S CB -0.595 62.597 63.200 -0.014 0.000 0.867 258 S HN 0.308 nan 8.310 nan 0.000 0.449 259 S N 0.367 115.995 115.700 -0.119 0.000 2.402 259 S HA -0.001 4.471 4.470 0.003 0.000 0.229 259 S C 1.855 176.302 174.600 -0.254 0.000 1.021 259 S CA 1.072 59.178 58.200 -0.156 0.000 0.974 259 S CB -0.637 62.468 63.200 -0.159 0.000 0.800 259 S HN 0.307 nan 8.310 nan 0.000 0.484 260 V N 2.431 122.128 119.914 -0.361 0.000 2.295 260 V HA -0.139 3.983 4.120 0.003 0.000 0.246 260 V C 2.953 178.911 176.094 -0.226 0.000 1.049 260 V CA 2.074 64.142 62.300 -0.387 0.000 1.024 260 V CB -0.635 30.872 31.823 -0.527 0.000 0.648 260 V HN 0.474 nan 8.190 nan 0.000 0.447 261 E N 0.026 120.125 120.200 -0.167 0.000 2.110 261 E HA -0.177 4.175 4.350 0.003 0.000 0.193 261 E C 2.276 178.823 176.600 -0.088 0.000 0.988 261 E CA 1.460 57.798 56.400 -0.104 0.000 0.804 261 E CB -0.432 29.222 29.700 -0.078 0.000 0.745 261 E HN 0.599 nan 8.360 nan 0.000 0.458 262 A N 1.156 123.933 122.820 -0.071 0.000 1.872 262 A HA -0.105 4.217 4.320 0.003 0.000 0.214 262 A C 2.331 179.907 177.584 -0.013 0.000 1.187 262 A CA 0.925 52.954 52.037 -0.014 0.000 0.614 262 A CB -0.579 18.517 19.000 0.159 0.000 0.826 262 A HN 0.137 nan 8.150 nan 0.000 0.442 263 I N -0.448 120.071 120.570 -0.085 0.000 2.113 263 I HA -0.223 3.948 4.170 0.003 0.000 0.238 263 I C 2.383 178.460 176.117 -0.068 0.000 1.070 263 I CA 1.282 62.505 61.300 -0.128 0.000 1.332 263 I CB -0.537 37.208 38.000 -0.425 0.000 1.044 263 I HN 0.139 nan 8.210 nan 0.000 0.402 264 V N 1.493 121.352 119.914 -0.090 0.000 2.324 264 V HA -0.311 3.811 4.120 0.003 0.000 0.250 264 V C 2.206 178.287 176.094 -0.022 0.000 1.060 264 V CA 2.107 64.380 62.300 -0.045 0.000 1.042 264 V CB -0.870 30.921 31.823 -0.054 0.000 0.650 264 V HN 0.464 nan 8.190 nan 0.000 0.450 265 N N 0.320 118.992 118.700 -0.045 0.000 2.188 265 N HA -0.094 4.648 4.740 0.003 0.000 0.184 265 N C 1.885 177.374 175.510 -0.034 0.000 1.018 265 N CA 1.607 54.629 53.050 -0.048 0.000 0.858 265 N CB -0.503 37.932 38.487 -0.087 0.000 0.989 265 N HN 0.503 nan 8.380 nan 0.000 0.426 266 A N 1.230 124.027 122.820 -0.038 0.000 1.902 266 A HA -0.045 4.277 4.320 0.003 0.000 0.217 266 A C 2.243 179.874 177.584 0.078 0.000 1.181 266 A CA 0.935 52.977 52.037 0.008 0.000 0.623 266 A CB -0.564 18.487 19.000 0.085 0.000 0.818 266 A HN 0.227 nan 8.150 nan 0.000 0.443 267 I N -0.372 120.255 120.570 0.094 0.000 2.617 267 I HA -0.102 4.070 4.170 0.003 0.000 0.256 267 I C 1.709 177.945 176.117 0.198 0.000 1.167 267 I CA 0.985 62.380 61.300 0.158 0.000 1.469 267 I CB -0.105 37.993 38.000 0.164 0.000 1.098 267 I HN 0.146 nan 8.210 nan 0.000 0.436 268 S N 0.289 116.053 115.700 0.106 0.000 2.603 268 S HA 0.053 4.525 4.470 0.003 0.000 0.220 268 S C 0.634 175.278 174.600 0.073 0.000 0.967 268 S CA -0.021 58.224 58.200 0.074 0.000 0.920 268 S CB -0.304 62.912 63.200 0.026 0.000 0.773 268 S HN 0.419 nan 8.310 nan 0.000 0.529 269 Q N 1.431 121.287 119.800 0.093 0.000 2.361 269 Q HA 0.052 4.394 4.340 0.003 0.000 0.276 269 Q C -1.637 174.426 176.000 0.104 0.000 1.022 269 Q CA -1.267 54.587 55.803 0.085 0.000 0.898 269 Q CB 0.152 28.948 28.738 0.096 0.000 1.246 269 Q HN 0.073 nan 8.270 nan 0.000 0.410 270 P HA -0.214 nan 4.420 nan 0.000 0.215 270 P C 0.376 177.730 177.300 0.089 0.000 1.157 270 P CA 1.503 64.644 63.100 0.068 0.000 0.874 270 P CB 0.154 31.882 31.700 0.046 0.000 0.790 271 D N -1.384 119.077 120.400 0.103 0.000 2.328 271 D HA 0.110 4.752 4.640 0.003 0.000 0.221 271 D C 1.462 177.859 176.300 0.161 0.000 1.072 271 D CA 0.167 54.227 54.000 0.101 0.000 0.850 271 D CB -0.844 40.015 40.800 0.099 0.000 0.922 271 D HN 0.058 nan 8.370 nan 0.000 0.516 272 A N 0.236 123.181 122.820 0.209 0.000 2.070 272 A HA -0.112 4.210 4.320 0.003 0.000 0.220 272 A C 2.369 180.038 177.584 0.141 0.000 1.159 272 A CA 2.097 54.283 52.037 0.248 0.000 0.656 272 A CB -1.068 18.057 19.000 0.208 0.000 0.800 272 A HN 0.405 nan 8.150 nan 0.000 0.453 273 Q N -1.352 118.533 119.800 0.142 0.000 2.436 273 Q HA 0.039 4.381 4.340 0.003 0.000 0.209 273 Q C 2.151 178.115 176.000 -0.059 0.000 0.965 273 Q CA 1.765 57.616 55.803 0.080 0.000 0.910 273 Q CB -1.361 27.494 28.738 0.194 0.000 0.980 273 Q HN 0.900 nan 8.270 nan 0.000 0.491 274 R N -0.358 120.037 120.500 -0.175 0.000 2.148 274 R HA 0.070 4.411 4.340 0.003 0.000 0.223 274 R C 0.547 176.463 176.300 -0.639 0.000 1.088 274 R CA 1.184 57.008 56.100 -0.461 0.000 0.985 274 R CB -0.606 29.277 30.300 -0.695 0.000 0.880 274 R HN 0.788 nan 8.270 nan 0.000 0.451 275 Y N -0.573 119.711 120.300 -0.025 0.000 2.902 275 Y HA 0.501 5.054 4.550 0.005 0.000 0.353 275 Y C 1.877 177.735 175.900 -0.070 0.000 1.116 275 Y CA -0.655 57.424 58.100 -0.034 0.000 1.222 275 Y CB 0.061 38.510 38.460 -0.019 0.000 1.302 275 Y HN 0.002 nan 8.280 nan 0.000 0.590 276 V N 0.838 120.745 119.914 -0.012 0.000 2.469 276 V HA -0.318 3.804 4.120 0.003 0.000 0.251 276 V C 2.046 178.121 176.094 -0.032 0.000 1.064 276 V CA 2.520 64.795 62.300 -0.041 0.000 1.066 276 V CB -0.103 31.697 31.823 -0.038 0.000 0.667 276 V HN 0.604 nan 8.190 nan 0.000 0.461 277 N N 0.197 118.897 118.700 0.001 0.000 2.069 277 N HA -0.161 4.581 4.740 0.003 0.000 0.191 277 N C 1.927 177.424 175.510 -0.021 0.000 1.031 277 N CA 2.175 55.217 53.050 -0.014 0.000 0.852 277 N CB -0.322 38.176 38.487 0.019 0.000 1.018 277 N HN 0.678 nan 8.380 nan 0.000 0.423 278 T N 2.826 117.391 114.554 0.019 0.000 2.652 278 T HA -0.095 4.257 4.350 0.003 0.000 0.267 278 T C 2.205 176.893 174.700 -0.019 0.000 1.039 278 T CA 0.838 62.942 62.100 0.006 0.000 1.153 278 T CB -0.479 68.404 68.868 0.025 0.000 0.863 278 T HN 0.172 nan 8.240 nan 0.000 0.428 279 L N 0.457 121.659 121.223 -0.035 0.000 2.021 279 L HA -0.184 4.158 4.340 0.003 0.000 0.215 279 L C 2.614 179.460 176.870 -0.041 0.000 1.074 279 L CA 1.454 56.262 54.840 -0.054 0.000 0.760 279 L CB -0.877 41.100 42.059 -0.137 0.000 0.889 279 L HN 0.267 nan 8.230 nan 0.000 0.433 280 L N -0.338 120.836 121.223 -0.082 0.000 2.012 280 L HA -0.258 4.084 4.340 0.003 0.000 0.210 280 L C 2.664 179.477 176.870 -0.095 0.000 1.073 280 L CA 1.566 56.326 54.840 -0.133 0.000 0.748 280 L CB -0.493 41.373 42.059 -0.321 0.000 0.891 280 L HN 0.252 nan 8.230 nan 0.000 0.431 281 K N -0.457 119.895 120.400 -0.080 0.000 2.209 281 K HA -0.165 4.157 4.320 0.003 0.000 0.204 281 K C 1.909 178.457 176.600 -0.086 0.000 1.048 281 K CA 0.949 57.196 56.287 -0.067 0.000 0.940 281 K CB -0.103 32.367 32.500 -0.049 0.000 0.729 281 K HN 0.110 nan 8.250 nan 0.000 0.451 282 L N 0.832 122.015 121.223 -0.067 0.000 2.131 282 L HA -0.059 4.283 4.340 0.003 0.000 0.206 282 L C 1.989 178.784 176.870 -0.126 0.000 1.087 282 L CA 1.244 56.025 54.840 -0.098 0.000 0.767 282 L CB -0.431 41.642 42.059 0.023 0.000 0.917 282 L HN 0.126 nan 8.230 nan 0.000 0.441 283 I N 0.666 121.208 120.570 -0.047 0.000 2.147 283 I HA -0.341 3.831 4.170 0.003 0.000 0.245 283 I C -0.277 175.792 176.117 -0.080 0.000 1.059 283 I CA 1.977 63.262 61.300 -0.026 0.000 1.320 283 I CB -1.433 36.587 38.000 0.033 0.000 1.021 283 I HN 0.285 nan 8.210 nan 0.000 0.415 284 P HA -0.164 nan 4.420 nan 0.000 0.217 284 P C 1.951 179.135 177.300 -0.194 0.000 1.150 284 P CA 1.604 64.635 63.100 -0.116 0.000 0.832 284 P CB -0.083 31.560 31.700 -0.095 0.000 0.787 285 L N -0.930 120.086 121.223 -0.344 0.000 2.131 285 L HA -0.109 4.233 4.340 0.003 0.000 0.210 285 L C 2.725 179.276 176.870 -0.531 0.000 1.092 285 L CA 1.042 55.498 54.840 -0.640 0.000 0.759 285 L CB -0.809 40.486 42.059 -1.274 0.000 0.903 285 L HN -0.148 nan 8.230 nan 0.000 0.435 286 V N -0.038 119.700 119.914 -0.293 0.000 2.323 286 V HA -0.234 3.888 4.120 0.003 0.000 0.244 286 V C 2.313 178.401 176.094 -0.011 0.000 1.041 286 V CA 1.391 63.686 62.300 -0.009 0.000 1.025 286 V CB -0.203 31.647 31.823 0.046 0.000 0.656 286 V HN 0.325 nan 8.190 nan 0.000 0.451 287 L N 0.515 121.705 121.223 -0.055 0.000 2.131 287 L HA -0.096 4.246 4.340 0.003 0.000 0.210 287 L C 2.538 179.383 176.870 -0.040 0.000 1.092 287 L CA 1.527 56.340 54.840 -0.045 0.000 0.759 287 L CB -1.067 40.960 42.059 -0.054 0.000 0.903 287 L HN 0.486 nan 8.230 nan 0.000 0.435 288 G N -0.008 108.758 108.800 -0.056 0.000 2.498 288 G HA2 -0.172 3.790 3.960 0.003 0.000 0.219 288 G HA3 -0.172 3.790 3.960 0.003 0.000 0.219 288 G C 1.532 176.436 174.900 0.008 0.000 1.119 288 G CA 0.298 45.375 45.100 -0.038 0.000 0.766 288 G HN 0.306 nan 8.290 nan 0.000 0.552 289 L N -0.225 121.025 121.223 0.044 0.000 2.554 289 L HA 0.047 4.389 4.340 0.003 0.000 0.226 289 L C 2.813 179.716 176.870 0.055 0.000 1.137 289 L CA 0.112 55.006 54.840 0.090 0.000 0.863 289 L CB -0.212 41.945 42.059 0.163 0.000 0.985 289 L HN 0.270 nan 8.230 nan 0.000 0.451 290 Q N 0.119 119.924 119.800 0.008 0.000 2.133 290 Q HA -0.293 4.049 4.340 0.003 0.000 0.208 290 Q C 2.009 177.976 176.000 -0.055 0.000 0.991 290 Q CA 1.949 57.727 55.803 -0.042 0.000 0.867 290 Q CB -0.063 28.618 28.738 -0.094 0.000 0.911 290 Q HN 0.338 nan 8.270 nan 0.000 0.417 291 E N 1.120 121.300 120.200 -0.033 0.000 2.047 291 E HA -0.232 4.120 4.350 0.003 0.000 0.191 291 E C 1.862 178.464 176.600 0.003 0.000 0.987 291 E CA 1.626 58.010 56.400 -0.028 0.000 0.799 291 E CB -0.194 29.495 29.700 -0.019 0.000 0.752 291 E HN 0.354 nan 8.360 nan 0.000 0.449 292 Q N -0.441 119.376 119.800 0.028 0.000 2.096 292 Q HA -0.185 4.157 4.340 0.003 0.000 0.204 292 Q C 2.219 178.255 176.000 0.060 0.000 0.982 292 Q CA 1.746 57.574 55.803 0.042 0.000 0.850 292 Q CB -0.284 28.496 28.738 0.070 0.000 0.901 292 Q HN 0.367 nan 8.270 nan 0.000 0.422 293 L N 0.804 122.082 121.223 0.091 0.000 2.017 293 L HA -0.161 4.181 4.340 0.003 0.000 0.208 293 L C 2.429 179.420 176.870 0.201 0.000 1.073 293 L CA 2.041 56.976 54.840 0.158 0.000 0.745 293 L CB -0.571 41.610 42.059 0.203 0.000 0.894 293 L HN 0.149 nan 8.230 nan 0.000 0.432 294 R N -0.914 119.658 120.500 0.120 0.000 2.092 294 R HA -0.180 4.162 4.340 0.003 0.000 0.231 294 R C 2.360 178.727 176.300 0.111 0.000 1.119 294 R CA 1.798 57.973 56.100 0.124 0.000 0.970 294 R CB -0.309 29.956 30.300 -0.059 0.000 0.864 294 R HN 0.625 nan 8.270 nan 0.000 0.440 295 Q N -0.053 119.783 119.800 0.059 0.000 2.119 295 Q HA -0.013 4.329 4.340 0.003 0.000 0.201 295 Q C 2.096 178.120 176.000 0.039 0.000 0.972 295 Q CA 1.564 57.390 55.803 0.038 0.000 0.847 295 Q CB -0.733 28.013 28.738 0.014 0.000 0.903 295 Q HN 0.625 nan 8.270 nan 0.000 0.433 296 A N -0.016 122.831 122.820 0.045 0.000 1.930 296 A HA 0.043 4.365 4.320 0.003 0.000 0.217 296 A C 2.548 180.161 177.584 0.048 0.000 1.175 296 A CA 1.609 53.661 52.037 0.026 0.000 0.627 296 A CB -0.417 18.595 19.000 0.021 0.000 0.815 296 A HN 0.515 nan 8.150 nan 0.000 0.443 297 V N -0.026 119.944 119.914 0.094 0.000 2.358 297 V HA -0.305 3.817 4.120 0.003 0.000 0.246 297 V C 2.621 178.755 176.094 0.068 0.000 1.047 297 V CA 2.219 64.573 62.300 0.089 0.000 1.035 297 V CB -0.868 31.052 31.823 0.162 0.000 0.658 297 V HN 0.652 nan 8.190 nan 0.000 0.452 298 Q N 0.092 119.937 119.800 0.074 0.000 2.084 298 Q HA -0.205 4.137 4.340 0.003 0.000 0.202 298 Q C 1.907 177.925 176.000 0.030 0.000 0.978 298 Q CA 1.950 57.784 55.803 0.052 0.000 0.844 298 Q CB -0.280 28.486 28.738 0.047 0.000 0.898 298 Q HN 0.749 nan 8.270 nan 0.000 0.426 299 N N -1.085 117.627 118.700 0.020 0.000 2.446 299 N HA 0.029 4.771 4.740 0.003 0.000 0.179 299 N C 0.764 176.275 175.510 0.002 0.000 1.054 299 N CA 0.326 53.379 53.050 0.005 0.000 0.905 299 N CB 0.529 39.012 38.487 -0.007 0.000 0.973 299 N HN 0.343 nan 8.380 nan 0.000 0.448 300 G N 1.655 110.460 108.800 0.007 0.000 2.141 300 G HA2 -0.243 3.719 3.960 0.003 0.000 0.242 300 G HA3 -0.243 3.719 3.960 0.003 0.000 0.242 300 G C -0.381 174.514 174.900 -0.008 0.000 0.982 300 G CA -0.112 44.989 45.100 0.002 0.000 0.662 300 G HN 0.359 nan 8.290 nan 0.000 0.527 301 D N 0.524 120.917 120.400 -0.012 0.000 2.383 301 D HA 0.471 5.113 4.640 0.003 0.000 0.245 301 D C 1.820 178.116 176.300 -0.007 0.000 1.263 301 D CA -0.284 53.701 54.000 -0.026 0.000 0.936 301 D CB -0.045 40.722 40.800 -0.055 0.000 1.053 301 D HN 0.359 nan 8.370 nan 0.000 0.507 302 M N 1.682 121.282 119.600 0.000 0.000 2.175 302 M HA -0.092 4.390 4.480 0.003 0.000 0.264 302 M C 1.891 178.238 176.300 0.078 0.000 1.063 302 M CA 0.950 56.269 55.300 0.032 0.000 1.119 302 M CB -0.039 32.564 32.600 0.005 0.000 1.377 302 M HN 0.421 nan 8.290 nan 0.000 0.415 303 E N 0.039 120.265 120.200 0.044 0.000 2.160 303 E HA -0.181 4.171 4.350 0.003 0.000 0.195 303 E C 1.551 178.275 176.600 0.206 0.000 0.991 303 E CA 1.674 58.126 56.400 0.088 0.000 0.810 303 E CB 0.162 29.887 29.700 0.041 0.000 0.742 303 E HN 0.447 nan 8.360 nan 0.000 0.466 304 T N -0.118 114.480 114.554 0.073 0.000 2.770 304 T HA -0.143 4.208 4.350 0.003 0.000 0.258 304 T C 2.074 176.915 174.700 0.236 0.000 1.039 304 T CA 1.464 63.576 62.100 0.019 0.000 1.143 304 T CB -0.362 68.329 68.868 -0.296 0.000 0.866 304 T HN 0.335 nan 8.240 nan 0.000 0.428 305 S N 1.803 117.595 115.700 0.153 0.000 2.387 305 S HA -0.277 4.195 4.470 0.003 0.000 0.230 305 S C 1.973 176.673 174.600 0.167 0.000 1.035 305 S CA 1.367 59.661 58.200 0.155 0.000 1.014 305 S CB -0.917 62.346 63.200 0.106 0.000 0.836 305 S HN 0.588 nan 8.310 nan 0.000 0.466 306 H N 1.843 120.988 119.070 0.125 0.000 2.353 306 H HA -0.016 4.542 4.556 0.003 0.000 0.300 306 H C 2.323 177.719 175.328 0.114 0.000 1.090 306 H CA 1.864 57.977 56.048 0.108 0.000 1.327 306 H CB -0.927 28.890 29.762 0.092 0.000 1.383 306 H HN 0.536 nan 8.280 nan 0.000 0.508 307 G N 0.633 109.642 108.800 0.348 0.000 2.394 307 G HA2 -0.148 3.814 3.960 0.003 0.000 0.214 307 G HA3 -0.148 3.814 3.960 0.003 0.000 0.214 307 G C 2.053 177.003 174.900 0.084 0.000 1.176 307 G CA 0.671 45.886 45.100 0.191 0.000 0.786 307 G HN 0.393 nan 8.290 nan 0.000 0.533 308 I N 0.210 120.902 120.570 0.204 0.000 2.286 308 I HA -0.179 3.993 4.170 0.003 0.000 0.248 308 I C 2.849 179.008 176.117 0.070 0.000 1.115 308 I CA 0.598 61.987 61.300 0.147 0.000 1.392 308 I CB -0.182 37.945 38.000 0.212 0.000 1.065 308 I HN 0.331 nan 8.210 nan 0.000 0.418 309 C N 1.320 120.645 119.300 0.042 0.000 2.446 309 C HA -0.125 4.336 4.460 0.003 0.000 0.277 309 C C 2.986 177.933 174.990 -0.071 0.000 1.275 309 C CA 0.902 59.905 59.018 -0.025 0.000 1.727 309 C CB -1.011 26.688 27.740 -0.068 0.000 2.010 309 C HN 0.389 nan 8.230 nan 0.000 0.486 310 R N 0.365 120.816 120.500 -0.082 0.000 2.096 310 R HA -0.055 4.287 4.340 0.003 0.000 0.235 310 R C 2.058 178.327 176.300 -0.053 0.000 1.127 310 R CA 1.865 57.921 56.100 -0.074 0.000 0.968 310 R CB -0.307 29.970 30.300 -0.039 0.000 0.861 310 R HN 0.585 nan 8.270 nan 0.000 0.440 311 I N 0.266 120.811 120.570 -0.042 0.000 2.202 311 I HA -0.235 3.937 4.170 0.003 0.000 0.242 311 I C 2.588 178.710 176.117 0.008 0.000 1.091 311 I CA 1.229 62.516 61.300 -0.023 0.000 1.368 311 I CB -0.511 37.471 38.000 -0.031 0.000 1.058 311 I HN 0.194 nan 8.210 nan 0.000 0.410 312 A N 0.620 123.435 122.820 -0.008 0.000 1.902 312 A HA -0.136 4.186 4.320 0.003 0.000 0.217 312 A C 2.438 179.932 177.584 -0.151 0.000 1.181 312 A CA 1.630 53.634 52.037 -0.055 0.000 0.623 312 A CB -0.938 18.020 19.000 -0.070 0.000 0.818 312 A HN 0.241 nan 8.150 nan 0.000 0.443 313 V N -0.137 119.678 119.914 -0.165 0.000 2.407 313 V HA -0.233 3.889 4.120 0.003 0.000 0.248 313 V C 3.036 179.057 176.094 -0.122 0.000 1.055 313 V CA 1.805 63.974 62.300 -0.218 0.000 1.049 313 V CB -1.165 30.563 31.823 -0.158 0.000 0.662 313 V HN 0.615 nan 8.190 nan 0.000 0.455 314 A N -0.347 122.439 122.820 -0.057 0.000 1.940 314 A HA -0.197 4.125 4.320 0.003 0.000 0.219 314 A C 2.136 179.742 177.584 0.038 0.000 1.176 314 A CA 2.176 54.206 52.037 -0.010 0.000 0.631 314 A CB -0.441 18.563 19.000 0.008 0.000 0.814 314 A HN 0.456 nan 8.150 nan 0.000 0.446 315 L N -0.507 120.756 121.223 0.066 0.000 2.034 315 L HA 0.180 4.522 4.340 0.003 0.000 0.203 315 L C 2.427 179.399 176.870 0.169 0.000 1.074 315 L CA 2.359 57.302 54.840 0.172 0.000 0.748 315 L CB -1.256 40.890 42.059 0.144 0.000 0.905 315 L HN 0.251 nan 8.230 nan 0.000 0.439 316 G N -1.197 107.628 108.800 0.041 0.000 2.408 316 G HA2 -0.310 3.652 3.960 0.003 0.000 0.217 316 G HA3 -0.310 3.652 3.960 0.003 0.000 0.217 316 G C 1.469 176.500 174.900 0.219 0.000 1.150 316 G CA 0.937 46.095 45.100 0.096 0.000 0.776 316 G HN 0.482 nan 8.290 nan 0.000 0.542 317 E N 1.344 121.595 120.200 0.085 0.000 2.046 317 E HA -0.079 4.273 4.350 0.003 0.000 0.190 317 E C 2.099 178.713 176.600 0.023 0.000 0.982 317 E CA 1.313 57.817 56.400 0.173 0.000 0.800 317 E CB -0.258 29.490 29.700 0.081 0.000 0.756 317 E HN 0.308 nan 8.360 nan 0.000 0.449 318 N N -0.336 118.294 118.700 -0.116 0.000 2.446 318 N HA -0.046 4.696 4.740 0.003 0.000 0.179 318 N C 0.108 175.226 175.510 -0.653 0.000 1.054 318 N CA 0.786 53.605 53.050 -0.386 0.000 0.905 318 N CB 0.213 38.390 38.487 -0.518 0.000 0.973 318 N HN 0.324 nan 8.380 nan 0.000 0.448 319 H N -1.707 117.409 119.070 0.077 0.000 2.637 319 H HA 0.361 4.918 4.556 0.002 0.000 0.245 319 H C 1.411 176.754 175.328 0.025 0.000 1.190 319 H CA 0.147 56.224 56.048 0.048 0.000 0.934 319 H CB -0.056 29.738 29.762 0.053 0.000 1.950 319 H HN 0.126 nan 8.280 nan 0.000 0.614 320 S N 1.962 117.718 115.700 0.094 0.000 2.351 320 S HA -0.233 4.239 4.470 0.003 0.000 0.220 320 S C 2.281 176.780 174.600 -0.167 0.000 1.035 320 S CA 1.788 60.005 58.200 0.028 0.000 1.031 320 S CB -0.261 62.994 63.200 0.092 0.000 0.928 320 S HN 0.503 nan 8.310 nan 0.000 0.433 321 R N 0.523 120.971 120.500 -0.087 0.000 2.081 321 R HA 0.178 4.520 4.340 0.003 0.000 0.235 321 R C 2.367 178.671 176.300 0.006 0.000 1.131 321 R CA 1.403 57.485 56.100 -0.030 0.000 0.960 321 R CB -0.763 29.530 30.300 -0.012 0.000 0.856 321 R HN 0.342 nan 8.270 nan 0.000 0.436 322 A N 1.995 124.822 122.820 0.012 0.000 1.940 322 A HA -0.058 4.264 4.320 0.003 0.000 0.219 322 A C 2.344 179.909 177.584 -0.032 0.000 1.176 322 A CA 1.259 53.307 52.037 0.019 0.000 0.631 322 A CB -0.475 18.564 19.000 0.065 0.000 0.814 322 A HN 0.317 nan 8.150 nan 0.000 0.446 323 L N -0.934 120.225 121.223 -0.106 0.000 2.156 323 L HA -0.062 4.280 4.340 0.003 0.000 0.208 323 L C 2.318 179.039 176.870 -0.249 0.000 1.095 323 L CA 0.571 55.302 54.840 -0.181 0.000 0.770 323 L CB -0.365 41.542 42.059 -0.253 0.000 0.914 323 L HN 0.342 nan 8.230 nan 0.000 0.439 324 L N -0.586 120.431 121.223 -0.343 0.000 2.291 324 L HA -0.147 4.195 4.340 0.003 0.000 0.214 324 L C 1.935 178.796 176.870 -0.014 0.000 1.120 324 L CA 0.573 55.285 54.840 -0.213 0.000 0.799 324 L CB -0.436 41.496 42.059 -0.212 0.000 0.925 324 L HN 0.233 nan 8.230 nan 0.000 0.446 325 D N -0.515 119.864 120.400 -0.034 0.000 2.144 325 D HA -0.112 4.530 4.640 0.003 0.000 0.200 325 D C 1.055 177.363 176.300 0.012 0.000 0.978 325 D CA 0.936 54.902 54.000 -0.058 0.000 0.833 325 D CB -0.050 40.735 40.800 -0.025 0.000 0.961 325 D HN 0.177 nan 8.370 nan 0.000 0.470 326 Q N 1.230 121.068 119.800 0.064 0.000 2.664 326 Q HA 0.099 4.441 4.340 0.003 0.000 0.223 326 Q C 1.284 177.420 176.000 0.227 0.000 1.298 326 Q CA -0.124 55.762 55.803 0.138 0.000 0.965 326 Q CB 0.924 29.756 28.738 0.157 0.000 1.510 326 Q HN 0.069 nan 8.270 nan 0.000 0.567 327 V N 1.885 121.906 119.914 0.177 0.000 2.469 327 V HA -0.322 3.800 4.120 0.003 0.000 0.251 327 V C 2.567 178.838 176.094 0.294 0.000 1.064 327 V CA 2.510 64.938 62.300 0.213 0.000 1.066 327 V CB -0.821 31.018 31.823 0.027 0.000 0.667 327 V HN 0.772 nan 8.190 nan 0.000 0.461 328 E N -1.129 119.183 120.200 0.187 0.000 2.267 328 E HA -0.265 4.087 4.350 0.003 0.000 0.197 328 E C 1.788 178.372 176.600 -0.026 0.000 0.998 328 E CA 1.567 58.015 56.400 0.080 0.000 0.830 328 E CB -0.674 28.989 29.700 -0.062 0.000 0.751 328 E HN 0.860 nan 8.360 nan 0.000 0.491 329 H N -1.256 117.936 119.070 0.204 0.000 2.549 329 H HA 0.017 4.575 4.556 0.003 0.000 0.279 329 H C 1.866 177.294 175.328 0.166 0.000 1.018 329 H CA 0.081 56.206 56.048 0.128 0.000 1.175 329 H CB -0.177 29.654 29.762 0.114 0.000 1.485 329 H HN 0.813 nan 8.280 nan 0.000 0.543 330 W N 2.265 123.722 121.300 0.262 0.000 2.276 330 W HA -0.283 4.378 4.660 0.002 0.000 0.307 330 W C 0.960 177.677 176.519 0.330 0.000 1.240 330 W CA 0.870 58.425 57.345 0.350 0.000 1.249 330 W CB -0.853 28.775 29.460 0.281 0.000 1.140 330 W HN 0.236 nan 8.180 nan 0.000 0.519 331 Q N 0.767 120.107 119.800 -0.766 0.000 2.119 331 Q HA -0.127 4.215 4.340 0.003 0.000 0.201 331 Q C 2.593 178.467 176.000 -0.209 0.000 0.972 331 Q CA 2.223 57.560 55.803 -0.776 0.000 0.847 331 Q CB -0.408 27.779 28.738 -0.919 0.000 0.903 331 Q HN 0.221 nan 8.270 nan 0.000 0.433 332 S N 0.538 116.208 115.700 -0.050 0.000 2.368 332 S HA -0.132 4.340 4.470 0.003 0.000 0.225 332 S C 1.501 176.181 174.600 0.134 0.000 1.030 332 S CA 0.917 59.148 58.200 0.051 0.000 0.999 332 S CB -0.288 62.985 63.200 0.121 0.000 0.844 332 S HN 0.338 nan 8.310 nan 0.000 0.459 333 F N 2.095 122.120 119.950 0.125 0.000 2.134 333 F HA -0.033 4.496 4.527 0.004 0.000 0.299 333 F C 1.868 177.813 175.800 0.242 0.000 1.097 333 F CA 0.751 58.866 58.000 0.191 0.000 1.264 333 F CB -0.497 38.669 39.000 0.278 0.000 1.001 333 F HN 0.137 nan 8.300 nan 0.000 0.479 334 L N 0.555 121.937 121.223 0.265 0.000 2.131 334 L HA -0.054 4.288 4.340 0.003 0.000 0.210 334 L C 2.352 179.260 176.870 0.064 0.000 1.092 334 L CA 1.989 56.967 54.840 0.230 0.000 0.759 334 L CB -1.347 40.855 42.059 0.238 0.000 0.903 334 L HN 0.154 nan 8.230 nan 0.000 0.435 335 A N -0.844 121.976 122.820 0.000 0.000 1.898 335 A HA -0.161 4.161 4.320 0.003 0.000 0.216 335 A C 2.194 179.746 177.584 -0.054 0.000 1.181 335 A CA 1.621 53.645 52.037 -0.022 0.000 0.620 335 A CB -0.915 18.061 19.000 -0.040 0.000 0.819 335 A HN 0.455 nan 8.150 nan 0.000 0.442 336 L N 0.117 121.266 121.223 -0.124 0.000 2.042 336 L HA -0.118 4.224 4.340 0.003 0.000 0.210 336 L C 2.328 179.038 176.870 -0.267 0.000 1.076 336 L CA 1.962 56.680 54.840 -0.203 0.000 0.749 336 L CB -0.659 41.240 42.059 -0.268 0.000 0.893 336 L HN 0.142 nan 8.230 nan 0.000 0.432 337 V N 0.440 120.174 119.914 -0.301 0.000 2.392 337 V HA -0.293 3.829 4.120 0.003 0.000 0.249 337 V C 2.384 178.557 176.094 0.131 0.000 1.059 337 V CA 1.983 64.214 62.300 -0.115 0.000 1.051 337 V CB -0.909 31.003 31.823 0.148 0.000 0.658 337 V HN 0.557 nan 8.190 nan 0.000 0.455 338 N N -0.597 118.182 118.700 0.131 0.000 2.331 338 N HA -0.100 4.642 4.740 0.003 0.000 0.180 338 N C 1.769 177.378 175.510 0.165 0.000 1.019 338 N CA 1.405 54.562 53.050 0.180 0.000 0.881 338 N CB -0.189 38.372 38.487 0.122 0.000 0.972 338 N HN 0.487 nan 8.380 nan 0.000 0.435 339 M N 0.604 120.250 119.600 0.077 0.000 2.132 339 M HA -0.042 4.439 4.480 0.003 0.000 0.263 339 M C 1.822 178.208 176.300 0.144 0.000 1.065 339 M CA 1.267 56.622 55.300 0.092 0.000 1.122 339 M CB 0.039 32.643 32.600 0.006 0.000 1.365 339 M HN -0.024 nan 8.290 nan 0.000 0.411 340 I N 0.001 120.579 120.570 0.014 0.000 2.286 340 I HA -0.318 3.854 4.170 0.003 0.000 0.248 340 I C 2.520 178.791 176.117 0.257 0.000 1.115 340 I CA 1.121 62.400 61.300 -0.035 0.000 1.392 340 I CB -0.369 37.353 38.000 -0.463 0.000 1.065 340 I HN 0.432 nan 8.210 nan 0.000 0.418 341 M N 0.522 120.386 119.600 0.440 0.000 2.202 341 M HA -0.259 4.223 4.480 0.003 0.000 0.262 341 M C 1.985 178.471 176.300 0.310 0.000 1.063 341 M CA 1.849 57.446 55.300 0.494 0.000 1.097 341 M CB -0.588 32.235 32.600 0.371 0.000 1.382 341 M HN 0.223 nan 8.290 nan 0.000 0.413 342 F N -0.278 119.757 119.950 0.141 0.000 2.146 342 F HA -0.172 4.357 4.527 0.003 0.000 0.298 342 F C 2.067 177.927 175.800 0.100 0.000 1.096 342 F CA 1.495 59.553 58.000 0.097 0.000 1.275 342 F CB -0.815 38.225 39.000 0.066 0.000 1.008 342 F HN 0.237 nan 8.300 nan 0.000 0.480 343 C N -0.058 119.265 119.300 0.038 0.000 2.450 343 C HA -0.107 4.355 4.460 0.003 0.000 0.279 343 C C 2.643 177.634 174.990 0.001 0.000 1.335 343 C CA 1.652 60.633 59.018 -0.060 0.000 1.749 343 C CB -1.354 26.406 27.740 0.032 0.000 1.963 343 C HN 0.543 nan 8.230 nan 0.000 0.501 344 T N 0.111 114.742 114.554 0.129 0.000 2.833 344 T HA -0.045 4.306 4.350 0.003 0.000 0.269 344 T C 1.674 176.425 174.700 0.086 0.000 1.054 344 T CA 1.698 63.910 62.100 0.186 0.000 1.135 344 T CB -0.304 68.779 68.868 0.359 0.000 0.869 344 T HN 0.648 nan 8.240 nan 0.000 0.466 345 G N 0.439 109.249 108.800 0.017 0.000 3.502 345 G HA2 0.379 4.341 3.960 0.003 0.000 0.267 345 G HA3 0.379 4.341 3.960 0.003 0.000 0.267 345 G C 0.358 175.185 174.900 -0.121 0.000 1.090 345 G CA -0.528 44.564 45.100 -0.013 0.000 0.795 345 G HN 0.425 nan 8.290 nan 0.000 0.535 346 I N 1.400 121.833 120.570 -0.229 0.000 2.948 346 I HA -0.013 4.159 4.170 0.003 0.000 0.303 346 I C -1.816 174.210 176.117 -0.152 0.000 1.224 346 I CA -1.026 60.073 61.300 -0.335 0.000 1.442 346 I CB 0.694 38.531 38.000 -0.271 0.000 1.328 346 I HN -0.009 nan 8.210 nan 0.000 0.578 347 P HA 0.179 nan 4.420 nan 0.000 0.266 347 P C 0.084 177.356 177.300 -0.047 0.000 1.195 347 P CA 0.476 63.536 63.100 -0.066 0.000 0.768 347 P CB 0.637 32.318 31.700 -0.032 0.000 0.838 348 G N 1.157 109.920 108.800 -0.061 0.000 2.479 348 G HA2 -0.071 3.891 3.960 0.003 0.000 0.686 348 G HA3 -0.071 3.891 3.960 0.003 0.000 0.686 348 G C -1.566 173.280 174.900 -0.090 0.000 1.295 348 G CA -0.900 44.178 45.100 -0.036 0.000 0.922 348 G HN 0.552 nan 8.290 nan 0.000 0.582 349 H N -0.808 118.317 119.070 0.091 0.000 2.463 349 H HA 0.477 5.034 4.556 0.003 0.000 0.332 349 H C -0.693 174.665 175.328 0.051 0.000 1.127 349 H CA -0.123 56.010 56.048 0.142 0.000 1.238 349 H CB 1.689 31.605 29.762 0.256 0.000 1.478 349 H HN 0.524 nan 8.280 nan 0.000 0.499 350 Y N 5.505 125.854 120.300 0.081 0.000 2.316 350 Y HA 0.202 4.753 4.550 0.003 0.000 0.331 350 Y C -1.972 173.857 175.900 -0.119 0.000 1.083 350 Y CA -1.901 56.094 58.100 -0.174 0.000 1.206 350 Y CB 1.360 39.384 38.460 -0.728 0.000 1.195 350 Y HN 0.402 nan 8.280 nan 0.000 0.497 351 P HA 0.088 nan 4.420 nan 0.000 0.290 351 P C 0.360 177.286 177.300 -0.623 0.000 1.519 351 P CA 0.178 62.635 63.100 -1.072 0.000 1.189 351 P CB 0.696 31.495 31.700 -1.501 0.000 1.569 352 V N 0.841 120.380 119.914 -0.625 0.000 2.358 352 V HA -0.149 3.973 4.120 0.003 0.000 0.246 352 V C 2.060 178.001 176.094 -0.255 0.000 1.047 352 V CA 1.844 63.827 62.300 -0.529 0.000 1.035 352 V CB -0.879 30.490 31.823 -0.756 0.000 0.658 352 V HN 0.228 nan 8.190 nan 0.000 0.452 353 N N 0.121 118.737 118.700 -0.141 0.000 2.356 353 N HA 0.066 4.808 4.740 0.003 0.000 0.178 353 N C 0.281 175.759 175.510 -0.054 0.000 1.075 353 N CA 0.447 53.466 53.050 -0.052 0.000 0.889 353 N CB 0.580 39.084 38.487 0.029 0.000 0.999 353 N HN 0.795 nan 8.380 nan 0.000 0.464 354 E N -1.954 118.196 120.200 -0.083 0.000 2.396 354 E HA 0.289 4.641 4.350 0.003 0.000 0.280 354 E C -0.651 175.915 176.600 -0.056 0.000 1.065 354 E CA -0.810 55.570 56.400 -0.032 0.000 0.831 354 E CB 0.393 30.107 29.700 0.022 0.000 1.272 354 E HN -0.060 nan 8.360 nan 0.000 0.443 355 T N -2.633 111.957 114.554 0.061 0.000 3.231 355 T HA 0.221 4.573 4.350 0.003 0.000 0.292 355 T C 0.546 175.465 174.700 0.365 0.000 1.001 355 T CA 0.311 62.514 62.100 0.171 0.000 0.920 355 T CB -0.008 68.918 68.868 0.097 0.000 1.140 355 T HN 0.353 nan 8.240 nan 0.000 0.525 356 T N 2.417 117.105 114.554 0.224 0.000 2.894 356 T HA -0.058 4.294 4.350 0.003 0.000 0.258 356 T C 2.388 177.142 174.700 0.091 0.000 1.043 356 T CA 1.495 63.641 62.100 0.076 0.000 1.141 356 T CB -0.400 68.486 68.868 0.029 0.000 0.873 356 T HN 0.652 nan 8.240 nan 0.000 0.449 357 S N 2.833 118.625 115.700 0.153 0.000 2.392 357 S HA -0.206 4.266 4.470 0.003 0.000 0.232 357 S C 2.278 176.980 174.600 0.170 0.000 1.041 357 S CA 1.627 59.928 58.200 0.170 0.000 1.026 357 S CB -1.001 62.347 63.200 0.247 0.000 0.845 357 S HN 0.645 nan 8.310 nan 0.000 0.465 358 S N 2.331 118.114 115.700 0.137 0.000 2.442 358 S HA 0.059 4.531 4.470 0.003 0.000 0.236 358 S C 1.732 176.384 174.600 0.087 0.000 1.007 358 S CA 0.930 59.185 58.200 0.092 0.000 0.965 358 S CB -0.874 62.342 63.200 0.026 0.000 0.773 358 S HN 0.536 nan 8.310 nan 0.000 0.504 359 L N 1.879 123.138 121.223 0.060 0.000 2.275 359 L HA -0.018 4.324 4.340 0.003 0.000 0.215 359 L C 2.868 179.745 176.870 0.011 0.000 1.119 359 L CA 1.414 56.260 54.840 0.010 0.000 0.790 359 L CB -0.847 41.160 42.059 -0.087 0.000 0.919 359 L HN 0.607 nan 8.230 nan 0.000 0.443 360 T N -3.894 110.686 114.554 0.043 0.000 3.065 360 T HA 0.106 4.458 4.350 0.003 0.000 0.252 360 T C 1.725 176.493 174.700 0.113 0.000 1.099 360 T CA -0.016 62.108 62.100 0.040 0.000 1.063 360 T CB -0.101 68.837 68.868 0.117 0.000 0.948 360 T HN 0.155 nan 8.240 nan 0.000 0.506 361 L N 2.152 123.475 121.223 0.166 0.000 2.017 361 L HA -0.075 4.267 4.340 0.003 0.000 0.208 361 L C 3.298 180.283 176.870 0.193 0.000 1.073 361 L CA 1.885 56.864 54.840 0.232 0.000 0.745 361 L CB -1.383 40.744 42.059 0.113 0.000 0.894 361 L HN 0.474 nan 8.230 nan 0.000 0.432 362 T N -2.292 112.335 114.554 0.122 0.000 2.849 362 T HA -0.278 4.074 4.350 0.003 0.000 0.270 362 T C 1.701 176.458 174.700 0.094 0.000 1.066 362 T CA 1.219 63.391 62.100 0.120 0.000 1.130 362 T CB -0.749 68.166 68.868 0.079 0.000 0.864 362 T HN 0.254 nan 8.240 nan 0.000 0.481 363 F N 1.232 121.093 119.950 -0.149 0.000 2.095 363 F HA 0.025 4.554 4.527 0.002 0.000 0.298 363 F C 1.805 177.408 175.800 -0.328 0.000 1.104 363 F CA 0.625 58.426 58.000 -0.331 0.000 1.232 363 F CB -0.806 37.832 39.000 -0.604 0.000 0.987 363 F HN 0.194 nan 8.300 nan 0.000 0.475 364 W N -1.297 119.890 121.300 -0.188 0.000 2.421 364 W HA -0.208 4.454 4.660 0.004 0.000 0.270 364 W C 2.317 178.740 176.519 -0.159 0.000 1.233 364 W CA 1.082 58.265 57.345 -0.269 0.000 1.226 364 W CB -0.946 28.445 29.460 -0.115 0.000 1.121 364 W HN 0.240 nan 8.180 nan 0.000 0.579 365 Y N 1.271 121.553 120.300 -0.029 0.000 2.153 365 Y HA -0.203 4.348 4.550 0.002 0.000 0.289 365 Y C 2.433 178.172 175.900 -0.268 0.000 1.127 365 Y CA 2.348 60.351 58.100 -0.163 0.000 1.131 365 Y CB -0.912 37.397 38.460 -0.252 0.000 0.995 365 Y HN -0.235 nan 8.280 nan 0.000 0.505 366 T N 2.001 116.244 114.554 -0.518 0.000 2.607 366 T HA -0.252 4.100 4.350 0.003 0.000 0.267 366 T C 1.810 176.159 174.700 -0.586 0.000 1.049 366 T CA 1.901 63.681 62.100 -0.533 0.000 1.162 366 T CB -0.914 67.797 68.868 -0.263 0.000 0.863 366 T HN 0.359 nan 8.240 nan 0.000 0.424 367 L N 1.729 122.545 121.223 -0.679 0.000 1.997 367 L HA -0.203 4.139 4.340 0.003 0.000 0.216 367 L C 2.966 179.586 176.870 -0.417 0.000 1.074 367 L CA 2.879 57.391 54.840 -0.547 0.000 0.763 367 L CB -1.432 40.242 42.059 -0.641 0.000 0.890 367 L HN 0.425 nan 8.230 nan 0.000 0.434 368 Q N -0.946 118.662 119.800 -0.319 0.000 2.061 368 Q HA -0.311 4.031 4.340 0.003 0.000 0.204 368 Q C 2.181 177.881 176.000 -0.501 0.000 0.984 368 Q CA 2.082 57.636 55.803 -0.415 0.000 0.846 368 Q CB -1.561 26.948 28.738 -0.383 0.000 0.902 368 Q HN 0.718 nan 8.270 nan 0.000 0.421 369 D N 0.558 120.569 120.400 -0.650 0.000 2.123 369 D HA -0.152 4.490 4.640 0.003 0.000 0.196 369 D C 1.345 177.331 176.300 -0.523 0.000 0.992 369 D CA 1.513 55.142 54.000 -0.618 0.000 0.833 369 D CB -0.245 40.059 40.800 -0.827 0.000 0.954 369 D HN 0.557 nan 8.370 nan 0.000 0.455 370 D N -0.190 119.872 120.400 -0.563 0.000 2.117 370 D HA -0.089 4.552 4.640 0.003 0.000 0.198 370 D C 2.311 177.957 176.300 -1.090 0.000 0.982 370 D CA 0.468 54.054 54.000 -0.690 0.000 0.828 370 D CB -0.254 40.212 40.800 -0.557 0.000 0.967 370 D HN 0.369 nan 8.370 nan 0.000 0.464 371 I N 0.564 120.666 120.570 -0.780 0.000 2.179 371 I HA -0.218 3.954 4.170 0.003 0.000 0.242 371 I C 1.990 177.841 176.117 -0.444 0.000 1.088 371 I CA 0.478 61.408 61.300 -0.616 0.000 1.357 371 I CB -0.092 37.764 38.000 -0.240 0.000 1.051 371 I HN 0.009 nan 8.210 nan 0.000 0.409 372 L N 0.252 121.254 121.223 -0.368 0.000 2.187 372 L HA -0.171 4.171 4.340 0.003 0.000 0.213 372 L C 2.603 179.343 176.870 -0.217 0.000 1.100 372 L CA 1.608 56.303 54.840 -0.240 0.000 0.765 372 L CB -1.628 40.296 42.059 -0.226 0.000 0.904 372 L HN 0.209 nan 8.230 nan 0.000 0.437 373 S N -0.975 114.517 115.700 -0.346 0.000 2.383 373 S HA -0.021 4.451 4.470 0.003 0.000 0.227 373 S C 0.733 175.311 174.600 -0.036 0.000 1.026 373 S CA 0.105 58.168 58.200 -0.229 0.000 0.981 373 S CB -0.205 62.813 63.200 -0.303 0.000 0.818 373 S HN 0.144 nan 8.310 nan 0.000 0.472 374 F N 2.297 122.227 119.950 -0.032 0.000 2.539 374 F HA 0.473 5.001 4.527 0.002 0.000 0.340 374 F C 0.973 176.774 175.800 0.001 0.000 1.185 374 F CA -0.990 57.012 58.000 0.003 0.000 1.333 374 F CB -0.215 38.819 39.000 0.056 0.000 1.152 374 F HN 0.139 nan 8.300 nan 0.000 0.602 375 E N 0.085 120.414 120.200 0.215 0.000 2.336 375 E HA 0.751 5.103 4.350 0.003 0.000 0.267 375 E C 0.186 176.830 176.600 0.074 0.000 0.906 375 E CA -0.710 55.754 56.400 0.106 0.000 0.781 375 E CB 1.378 31.117 29.700 0.066 0.000 1.261 375 E HN 1.484 nan 8.360 nan 0.000 0.436 376 A N -0.662 122.184 122.820 0.044 0.000 5.471 376 A HA -0.111 4.211 4.320 0.003 0.000 0.292 376 A C 2.056 179.649 177.584 0.015 0.000 2.024 376 A CA 3.528 55.577 52.037 0.019 0.000 0.716 376 A CB -2.047 16.956 19.000 0.004 0.000 1.221 376 A HN 2.313 nan 8.150 nan 0.000 0.364 377 E N -0.956 119.236 120.200 -0.014 0.000 2.058 377 E HA -0.221 4.131 4.350 0.003 0.000 0.194 377 E C 1.928 178.499 176.600 -0.047 0.000 0.997 377 E CA 2.372 58.746 56.400 -0.044 0.000 0.801 377 E CB -0.732 28.924 29.700 -0.075 0.000 0.746 377 E HN 0.804 nan 8.360 nan 0.000 0.450 378 K N -0.490 119.890 120.400 -0.034 0.000 2.032 378 K HA -0.226 4.096 4.320 0.003 0.000 0.209 378 K C 2.621 179.366 176.600 0.241 0.000 1.048 378 K CA 1.689 57.972 56.287 -0.007 0.000 0.927 378 K CB -0.137 32.281 32.500 -0.137 0.000 0.712 378 K HN 0.519 nan 8.250 nan 0.000 0.441 379 Q N 0.444 120.401 119.800 0.261 0.000 2.050 379 Q HA -0.168 4.174 4.340 0.003 0.000 0.202 379 Q C 2.086 178.190 176.000 0.174 0.000 0.980 379 Q CA 1.627 57.595 55.803 0.275 0.000 0.840 379 Q CB -0.112 28.725 28.738 0.164 0.000 0.898 379 Q HN 0.353 nan 8.270 nan 0.000 0.424 380 A N -0.209 122.663 122.820 0.086 0.000 1.898 380 A HA -0.116 4.206 4.320 0.003 0.000 0.216 380 A C 2.164 179.759 177.584 0.018 0.000 1.181 380 A CA 1.527 53.588 52.037 0.039 0.000 0.620 380 A CB -0.598 18.405 19.000 0.005 0.000 0.819 380 A HN 0.312 nan 8.150 nan 0.000 0.442 381 V N -1.800 118.092 119.914 -0.038 0.000 2.453 381 V HA -0.200 3.922 4.120 0.003 0.000 0.247 381 V C 2.315 178.351 176.094 -0.097 0.000 1.048 381 V CA 1.540 63.755 62.300 -0.141 0.000 1.049 381 V CB -1.014 30.634 31.823 -0.292 0.000 0.672 381 V HN 0.608 nan 8.190 nan 0.000 0.457 382 Y N 0.445 120.788 120.300 0.073 0.000 2.352 382 Y HA -0.169 4.382 4.550 0.003 0.000 0.292 382 Y C 2.598 178.641 175.900 0.238 0.000 1.136 382 Y CA 1.482 59.709 58.100 0.211 0.000 1.227 382 Y CB -0.408 38.275 38.460 0.371 0.000 0.991 382 Y HN 0.287 nan 8.280 nan 0.000 0.545 383 Q N 0.308 120.280 119.800 0.287 0.000 2.123 383 Q HA -0.159 4.183 4.340 0.003 0.000 0.199 383 Q C 2.408 178.498 176.000 0.150 0.000 0.966 383 Q CA 2.196 58.113 55.803 0.189 0.000 0.845 383 Q CB -0.403 28.394 28.738 0.099 0.000 0.907 383 Q HN 0.540 nan 8.270 nan 0.000 0.439 384 Q N -0.647 119.206 119.800 0.089 0.000 2.224 384 Q HA -0.007 4.335 4.340 0.003 0.000 0.203 384 Q C 2.164 178.193 176.000 0.050 0.000 0.970 384 Q CA 1.653 57.486 55.803 0.051 0.000 0.865 384 Q CB -0.763 27.969 28.738 -0.009 0.000 0.922 384 Q HN 0.336 nan 8.270 nan 0.000 0.445 385 V N -1.123 118.812 119.914 0.035 0.000 2.488 385 V HA -0.117 4.005 4.120 0.003 0.000 0.246 385 V C 1.701 177.705 176.094 -0.150 0.000 1.046 385 V CA 1.252 63.504 62.300 -0.079 0.000 1.053 385 V CB -0.391 31.346 31.823 -0.143 0.000 0.679 385 V HN 0.802 nan 8.190 nan 0.000 0.458 386 Y N -0.918 119.558 120.300 0.293 0.000 2.458 386 Y HA 0.259 4.811 4.550 0.004 0.000 0.256 386 Y C 2.319 178.409 175.900 0.318 0.000 1.159 386 Y CA -0.219 58.084 58.100 0.338 0.000 1.261 386 Y CB -0.125 38.564 38.460 0.382 0.000 1.119 386 Y HN 0.021 nan 8.280 nan 0.000 0.524 387 R N 0.717 121.409 120.500 0.319 0.000 2.092 387 R HA -0.093 4.249 4.340 0.003 0.000 0.231 387 R C -0.741 175.801 176.300 0.403 0.000 1.119 387 R CA 1.494 57.752 56.100 0.263 0.000 0.970 387 R CB -1.064 29.378 30.300 0.237 0.000 0.864 387 R HN 0.263 nan 8.270 nan 0.000 0.440 388 P HA -0.011 nan 4.420 nan 0.000 0.224 388 P C 1.263 178.749 177.300 0.310 0.000 1.157 388 P CA 0.866 64.184 63.100 0.363 0.000 0.799 388 P CB 0.143 31.968 31.700 0.208 0.000 0.809 389 V N -1.026 119.072 119.914 0.307 0.000 2.427 389 V HA -0.208 3.914 4.120 0.003 0.000 0.248 389 V C 2.407 178.555 176.094 0.089 0.000 1.051 389 V CA 1.635 64.083 62.300 0.247 0.000 1.048 389 V CB -1.603 30.477 31.823 0.429 0.000 0.666 389 V HN -0.038 nan 8.190 nan 0.000 0.456 390 Y N -1.245 119.084 120.300 0.047 0.000 2.373 390 Y HA -0.055 4.497 4.550 0.003 0.000 0.293 390 Y C 2.142 177.925 175.900 -0.196 0.000 1.129 390 Y CA 1.226 59.243 58.100 -0.138 0.000 1.226 390 Y CB -0.389 37.967 38.460 -0.175 0.000 1.000 390 Y HN 0.178 nan 8.280 nan 0.000 0.549 391 F N -0.191 119.825 119.950 0.109 0.000 2.206 391 F HA -0.199 4.330 4.527 0.004 0.000 0.298 391 F C 2.583 178.373 175.800 -0.017 0.000 1.090 391 F CA 1.583 59.611 58.000 0.046 0.000 1.323 391 F CB -0.681 38.352 39.000 0.055 0.000 1.028 391 F HN 0.037 nan 8.300 nan 0.000 0.492 392 Q N 0.227 120.117 119.800 0.151 0.000 2.124 392 Q HA -0.225 4.117 4.340 0.003 0.000 0.202 392 Q C 2.221 178.176 176.000 -0.076 0.000 0.977 392 Q CA 1.440 57.274 55.803 0.051 0.000 0.850 392 Q CB -0.301 28.467 28.738 0.050 0.000 0.901 392 Q HN 0.436 nan 8.270 nan 0.000 0.429 393 L N 0.052 121.134 121.223 -0.236 0.000 2.046 393 L HA -0.152 4.190 4.340 0.003 0.000 0.208 393 L C 2.139 178.841 176.870 -0.280 0.000 1.077 393 L CA 1.433 56.011 54.840 -0.437 0.000 0.747 393 L CB -0.575 40.970 42.059 -0.857 0.000 0.896 393 L HN 0.080 nan 8.230 nan 0.000 0.432 394 V N 0.019 119.823 119.914 -0.182 0.000 2.324 394 V HA -0.337 3.785 4.120 0.003 0.000 0.250 394 V C 2.342 178.358 176.094 -0.131 0.000 1.060 394 V CA 2.145 64.372 62.300 -0.121 0.000 1.042 394 V CB -0.924 30.876 31.823 -0.039 0.000 0.650 394 V HN 0.504 nan 8.190 nan 0.000 0.450 395 D N -0.007 120.335 120.400 -0.097 0.000 2.117 395 D HA -0.129 4.513 4.640 0.003 0.000 0.197 395 D C 2.186 178.336 176.300 -0.251 0.000 0.987 395 D CA 1.502 55.403 54.000 -0.166 0.000 0.829 395 D CB -0.050 40.743 40.800 -0.012 0.000 0.961 395 D HN 0.361 nan 8.370 nan 0.000 0.460 396 V N 1.354 121.209 119.914 -0.098 0.000 2.427 396 V HA -0.184 3.938 4.120 0.003 0.000 0.248 396 V C 2.620 178.676 176.094 -0.062 0.000 1.051 396 V CA 0.938 63.228 62.300 -0.018 0.000 1.048 396 V CB -0.329 31.472 31.823 -0.037 0.000 0.666 396 V HN 0.185 nan 8.190 nan 0.000 0.456 397 L N -0.764 120.378 121.223 -0.135 0.000 2.093 397 L HA -0.126 4.216 4.340 0.003 0.000 0.208 397 L C 2.336 179.150 176.870 -0.093 0.000 1.085 397 L CA 1.324 56.093 54.840 -0.117 0.000 0.755 397 L CB -0.445 41.525 42.059 -0.148 0.000 0.904 397 L HN 0.302 nan 8.230 nan 0.000 0.435 398 L N -1.208 119.920 121.223 -0.159 0.000 2.201 398 L HA -0.178 4.163 4.340 0.003 0.000 0.212 398 L C 2.673 179.460 176.870 -0.138 0.000 1.105 398 L CA 0.728 55.476 54.840 -0.154 0.000 0.775 398 L CB -0.826 41.096 42.059 -0.228 0.000 0.913 398 L HN 0.385 nan 8.230 nan 0.000 0.440 399 H N 0.406 119.456 119.070 -0.033 0.000 2.395 399 H HA -0.028 4.530 4.556 0.003 0.000 0.299 399 H C 2.081 177.418 175.328 0.015 0.000 1.070 399 H CA 0.849 56.877 56.048 -0.032 0.000 1.356 399 H CB 0.116 29.863 29.762 -0.024 0.000 1.401 399 H HN 0.182 nan 8.280 nan 0.000 0.524 400 K N 0.742 121.235 120.400 0.155 0.000 2.217 400 K HA 0.112 4.434 4.320 0.003 0.000 0.202 400 K C 1.917 178.692 176.600 0.293 0.000 1.051 400 K CA 0.725 57.148 56.287 0.227 0.000 0.952 400 K CB -0.003 32.638 32.500 0.234 0.000 0.736 400 K HN 0.167 nan 8.250 nan 0.000 0.453 401 A N 1.342 124.231 122.820 0.116 0.000 2.235 401 A HA -0.058 4.264 4.320 0.003 0.000 0.208 401 A C 1.056 178.691 177.584 0.084 0.000 1.172 401 A CA 0.047 52.087 52.037 0.006 0.000 0.786 401 A CB -0.276 18.705 19.000 -0.030 0.000 0.804 401 A HN 0.322 nan 8.150 nan 0.000 0.479 402 Q N -0.425 119.484 119.800 0.181 0.000 2.288 402 Q HA 0.418 4.760 4.340 0.003 0.000 0.254 402 Q C -1.179 174.964 176.000 0.239 0.000 0.932 402 Q CA -0.505 55.399 55.803 0.168 0.000 0.902 402 Q CB 0.356 29.155 28.738 0.101 0.000 1.203 402 Q HN 0.374 nan 8.270 nan 0.000 0.415 403 F N 5.279 125.233 119.950 0.007 0.000 2.459 403 F HA 0.248 4.777 4.527 0.003 0.000 0.346 403 F C -1.477 174.093 175.800 -0.383 0.000 1.128 403 F CA -1.375 56.465 58.000 -0.266 0.000 1.268 403 F CB 0.391 39.155 39.000 -0.393 0.000 1.161 403 F HN 0.546 nan 8.300 nan 0.000 0.583 404 P HA 0.067 nan 4.420 nan 0.000 0.275 404 P C -0.787 176.306 177.300 -0.345 0.000 1.266 404 P CA -0.443 62.242 63.100 -0.691 0.000 0.793 404 P CB 0.686 31.785 31.700 -1.002 0.000 1.074 405 S N -0.183 115.392 115.700 -0.208 0.000 2.566 405 S HA -0.021 4.451 4.470 0.003 0.000 0.280 405 S C 0.779 175.314 174.600 -0.109 0.000 1.343 405 S CA -0.026 58.096 58.200 -0.130 0.000 1.036 405 S CB -0.353 62.807 63.200 -0.067 0.000 0.866 405 S HN 0.321 nan 8.310 nan 0.000 0.526 406 D N 2.258 122.656 120.400 -0.004 0.000 2.172 406 D HA -0.053 4.589 4.640 0.003 0.000 0.196 406 D C 2.339 178.583 176.300 -0.093 0.000 0.999 406 D CA 2.115 56.127 54.000 0.019 0.000 0.856 406 D CB -0.797 40.056 40.800 0.087 0.000 0.934 406 D HN 0.904 nan 8.370 nan 0.000 0.453 407 E N 0.751 120.868 120.200 -0.138 0.000 2.028 407 E HA -0.129 4.223 4.350 0.003 0.000 0.191 407 E C 2.186 178.468 176.600 -0.530 0.000 0.988 407 E CA 1.954 58.188 56.400 -0.277 0.000 0.799 407 E CB -1.448 28.154 29.700 -0.164 0.000 0.755 407 E HN 0.493 nan 8.360 nan 0.000 0.447 408 E N -0.542 119.466 120.200 -0.321 0.000 2.118 408 E HA -0.197 4.155 4.350 0.003 0.000 0.195 408 E C 1.944 178.337 176.600 -0.346 0.000 0.992 408 E CA 1.406 57.667 56.400 -0.232 0.000 0.804 408 E CB -1.040 28.634 29.700 -0.042 0.000 0.741 408 E HN 0.722 nan 8.360 nan 0.000 0.458 409 Y N 1.199 121.122 120.300 -0.628 0.000 2.274 409 Y HA 0.044 4.596 4.550 0.003 0.000 0.290 409 Y C 2.774 178.390 175.900 -0.473 0.000 1.145 409 Y CA 1.540 59.116 58.100 -0.874 0.000 1.203 409 Y CB -0.637 37.456 38.460 -0.613 0.000 0.984 409 Y HN 0.253 nan 8.280 nan 0.000 0.533 410 G N -0.687 107.887 108.800 -0.376 0.000 2.442 410 G HA2 -0.284 3.678 3.960 0.003 0.000 0.219 410 G HA3 -0.284 3.678 3.960 0.003 0.000 0.219 410 G C 1.264 176.107 174.900 -0.095 0.000 1.141 410 G CA 0.911 45.834 45.100 -0.295 0.000 0.763 410 G HN 0.379 nan 8.290 nan 0.000 0.554 411 F N -0.510 119.471 119.950 0.051 0.000 2.699 411 F HA 0.272 4.801 4.527 0.003 0.000 0.298 411 F C 0.621 176.544 175.800 0.205 0.000 1.154 411 F CA -1.319 56.752 58.000 0.119 0.000 1.457 411 F CB -0.583 38.502 39.000 0.141 0.000 1.106 411 F HN 0.020 nan 8.300 nan 0.000 0.585 412 W N 1.583 122.844 121.300 -0.065 0.000 2.238 412 W HA 0.350 5.012 4.660 0.003 0.000 0.321 412 W C 1.073 177.514 176.519 -0.130 0.000 1.293 412 W CA -1.472 55.786 57.345 -0.144 0.000 1.204 412 W CB 0.166 29.432 29.460 -0.324 0.000 1.167 412 W HN -0.131 nan 8.180 nan 0.000 0.553 413 S N 0.701 116.452 115.700 0.086 0.000 2.617 413 S HA 0.380 4.852 4.470 0.003 0.000 0.259 413 S C 1.496 176.125 174.600 0.048 0.000 1.301 413 S CA 0.068 58.293 58.200 0.040 0.000 0.984 413 S CB 0.739 63.938 63.200 -0.002 0.000 0.954 413 S HN 0.650 nan 8.310 nan 0.000 0.572 414 S N 0.579 116.304 115.700 0.040 0.000 2.368 414 S HA -0.119 4.353 4.470 0.003 0.000 0.225 414 S C 1.422 176.067 174.600 0.075 0.000 1.030 414 S CA 1.868 60.102 58.200 0.057 0.000 0.999 414 S CB -1.044 62.185 63.200 0.048 0.000 0.844 414 S HN 0.821 nan 8.310 nan 0.000 0.459 415 D N 0.906 121.334 120.400 0.047 0.000 2.097 415 D HA -0.045 4.596 4.640 0.003 0.000 0.195 415 D C 1.976 178.303 176.300 0.045 0.000 0.989 415 D CA 1.231 55.256 54.000 0.041 0.000 0.827 415 D CB -0.325 40.479 40.800 0.006 0.000 0.966 415 D HN 0.670 nan 8.370 nan 0.000 0.456 416 E N 0.360 120.560 120.200 0.000 0.000 2.110 416 E HA -0.156 4.196 4.350 0.003 0.000 0.193 416 E C 1.896 178.599 176.600 0.171 0.000 0.988 416 E CA 0.859 57.219 56.400 -0.066 0.000 0.804 416 E CB 0.042 29.576 29.700 -0.277 0.000 0.745 416 E HN 0.256 nan 8.360 nan 0.000 0.458 417 K N 0.469 121.040 120.400 0.285 0.000 2.103 417 K HA -0.165 4.157 4.320 0.003 0.000 0.204 417 K C 2.135 178.989 176.600 0.423 0.000 1.052 417 K CA 1.175 57.737 56.287 0.457 0.000 0.945 417 K CB 0.035 32.716 32.500 0.302 0.000 0.722 417 K HN -0.052 nan 8.250 nan 0.000 0.443 418 E N 1.571 121.934 120.200 0.271 0.000 2.072 418 E HA -0.185 4.166 4.350 0.003 0.000 0.191 418 E C 1.801 178.549 176.600 0.246 0.000 0.985 418 E CA 1.529 58.066 56.400 0.230 0.000 0.801 418 E CB 0.038 29.830 29.700 0.153 0.000 0.750 418 E HN 0.235 nan 8.360 nan 0.000 0.452 419 Q N -1.114 118.827 119.800 0.236 0.000 2.170 419 Q HA -0.124 4.218 4.340 0.003 0.000 0.203 419 Q C 1.819 178.083 176.000 0.440 0.000 0.976 419 Q CA 1.309 57.273 55.803 0.268 0.000 0.858 419 Q CB -0.227 28.593 28.738 0.136 0.000 0.907 419 Q HN 0.356 nan 8.270 nan 0.000 0.433 420 F N 0.930 121.066 119.950 0.310 0.000 2.367 420 F HA -0.017 4.512 4.527 0.003 0.000 0.298 420 F C 2.239 178.223 175.800 0.307 0.000 1.094 420 F CA 0.846 59.077 58.000 0.384 0.000 1.409 420 F CB 0.111 39.371 39.000 0.433 0.000 1.064 420 F HN -0.166 nan 8.300 nan 0.000 0.528 421 R N 0.375 121.033 120.500 0.264 0.000 2.093 421 R HA -0.043 4.299 4.340 0.003 0.000 0.224 421 R C 2.142 178.484 176.300 0.070 0.000 1.101 421 R CA 1.598 57.770 56.100 0.120 0.000 0.979 421 R CB -0.331 30.095 30.300 0.210 0.000 0.877 421 R HN 0.377 nan 8.270 nan 0.000 0.441 422 I N 0.060 120.713 120.570 0.138 0.000 2.353 422 I HA -0.242 3.930 4.170 0.003 0.000 0.248 422 I C 2.080 178.254 176.117 0.096 0.000 1.119 422 I CA 0.878 62.246 61.300 0.113 0.000 1.417 422 I CB -0.313 37.772 38.000 0.142 0.000 1.078 422 I HN 0.211 nan 8.210 nan 0.000 0.421 423 Y N 1.989 122.265 120.300 -0.039 0.000 2.181 423 Y HA -0.218 4.334 4.550 0.003 0.000 0.288 423 Y C 2.653 178.415 175.900 -0.230 0.000 1.146 423 Y CA 1.569 59.564 58.100 -0.175 0.000 1.164 423 Y CB -0.198 38.135 38.460 -0.212 0.000 0.982 423 Y HN -0.046 nan 8.280 nan 0.000 0.515 424 R N -0.835 119.505 120.500 -0.266 0.000 2.092 424 R HA -0.118 4.224 4.340 0.003 0.000 0.231 424 R C 2.232 178.510 176.300 -0.036 0.000 1.119 424 R CA 1.397 57.323 56.100 -0.290 0.000 0.970 424 R CB -0.602 29.433 30.300 -0.443 0.000 0.864 424 R HN 0.260 nan 8.270 nan 0.000 0.440 425 V N 1.648 121.549 119.914 -0.022 0.000 2.343 425 V HA -0.252 3.869 4.120 0.003 0.000 0.247 425 V C 1.516 177.572 176.094 -0.063 0.000 1.051 425 V CA 1.925 64.220 62.300 -0.008 0.000 1.036 425 V CB -0.385 31.434 31.823 -0.007 0.000 0.654 425 V HN 0.276 nan 8.190 nan 0.000 0.451 426 D N -0.171 120.174 120.400 -0.092 0.000 2.144 426 D HA -0.114 4.528 4.640 0.003 0.000 0.199 426 D C 2.023 178.242 176.300 -0.135 0.000 0.984 426 D CA 1.253 55.192 54.000 -0.102 0.000 0.834 426 D CB -0.164 40.574 40.800 -0.103 0.000 0.955 426 D HN 0.403 nan 8.370 nan 0.000 0.465 427 I N 0.622 121.063 120.570 -0.216 0.000 2.394 427 I HA -0.211 3.961 4.170 0.003 0.000 0.251 427 I C 2.215 178.253 176.117 -0.131 0.000 1.136 427 I CA 0.606 61.792 61.300 -0.190 0.000 1.425 427 I CB -0.004 37.853 38.000 -0.239 0.000 1.079 427 I HN -0.117 nan 8.210 nan 0.000 0.425 428 S N 0.458 116.074 115.700 -0.141 0.000 2.382 428 S HA -0.176 4.296 4.470 0.003 0.000 0.228 428 S C 1.506 175.975 174.600 -0.219 0.000 1.027 428 S CA 1.345 59.404 58.200 -0.236 0.000 0.991 428 S CB -0.247 62.792 63.200 -0.268 0.000 0.823 428 S HN 0.447 nan 8.310 nan 0.000 0.469 429 D N 1.103 121.394 120.400 -0.182 0.000 2.149 429 D HA -0.031 4.611 4.640 0.003 0.000 0.201 429 D C 2.052 178.222 176.300 -0.216 0.000 0.972 429 D CA 1.147 54.996 54.000 -0.251 0.000 0.835 429 D CB -0.806 39.913 40.800 -0.134 0.000 0.966 429 D HN 0.312 nan 8.370 nan 0.000 0.476 430 T N 1.184 115.725 114.554 -0.022 0.000 2.746 430 T HA -0.055 4.296 4.350 0.003 0.000 0.267 430 T C 2.205 176.944 174.700 0.065 0.000 1.039 430 T CA 0.568 62.746 62.100 0.130 0.000 1.142 430 T CB -0.277 68.648 68.868 0.095 0.000 0.866 430 T HN 0.124 nan 8.240 nan 0.000 0.444 431 L N 0.330 121.523 121.223 -0.050 0.000 2.141 431 L HA -0.002 4.340 4.340 0.003 0.000 0.209 431 L C 2.653 179.496 176.870 -0.044 0.000 1.094 431 L CA 1.061 55.868 54.840 -0.055 0.000 0.763 431 L CB -0.506 41.481 42.059 -0.119 0.000 0.908 431 L HN 0.299 nan 8.230 nan 0.000 0.437 432 M N -1.375 118.133 119.600 -0.153 0.000 2.213 432 M HA -0.237 4.245 4.480 0.003 0.000 0.263 432 M C 2.029 178.283 176.300 -0.076 0.000 1.062 432 M CA 1.826 57.019 55.300 -0.177 0.000 1.105 432 M CB 0.010 32.386 32.600 -0.373 0.000 1.385 432 M HN 0.116 nan 8.290 nan 0.000 0.417 433 Y N -1.201 119.159 120.300 0.101 0.000 2.269 433 Y HA -0.019 4.533 4.550 0.004 0.000 0.294 433 Y C 2.256 178.194 175.900 0.064 0.000 1.120 433 Y CA 0.691 58.856 58.100 0.109 0.000 1.159 433 Y CB -1.003 37.577 38.460 0.201 0.000 1.024 433 Y HN -0.064 nan 8.280 nan 0.000 0.532 434 V N -0.291 119.770 119.914 0.244 0.000 2.453 434 V HA -0.337 3.785 4.120 0.003 0.000 0.252 434 V C 2.068 178.208 176.094 0.076 0.000 1.068 434 V CA 2.006 64.405 62.300 0.165 0.000 1.070 434 V CB -0.930 30.977 31.823 0.140 0.000 0.664 434 V HN 0.439 nan 8.190 nan 0.000 0.461 435 Y N 1.580 121.863 120.300 -0.028 0.000 2.145 435 Y HA -0.200 4.352 4.550 0.003 0.000 0.286 435 Y C 2.510 178.375 175.900 -0.058 0.000 1.145 435 Y CA 1.800 59.870 58.100 -0.051 0.000 1.148 435 Y CB -0.350 38.086 38.460 -0.039 0.000 0.981 435 Y HN 0.390 nan 8.280 nan 0.000 0.507 436 E N -0.833 119.290 120.200 -0.128 0.000 2.268 436 E HA -0.219 4.133 4.350 0.003 0.000 0.195 436 E C 1.982 178.430 176.600 -0.253 0.000 0.995 436 E CA 1.323 57.578 56.400 -0.240 0.000 0.836 436 E CB -0.237 29.431 29.700 -0.053 0.000 0.763 436 E HN 0.497 nan 8.360 nan 0.000 0.491 437 M N 0.270 119.726 119.600 -0.239 0.000 2.248 437 M HA 0.001 4.483 4.480 0.003 0.000 0.265 437 M C 1.718 177.835 176.300 -0.304 0.000 1.079 437 M CA 1.411 56.510 55.300 -0.335 0.000 1.150 437 M CB 0.211 32.466 32.600 -0.575 0.000 1.366 437 M HN -0.021 nan 8.290 nan 0.000 0.433 438 L N -0.590 120.465 121.223 -0.279 0.000 2.477 438 L HA 0.338 4.679 4.340 0.003 0.000 0.220 438 L C 1.422 178.192 176.870 -0.166 0.000 1.106 438 L CA 0.142 54.827 54.840 -0.257 0.000 0.851 438 L CB -1.001 40.828 42.059 -0.384 0.000 0.994 438 L HN 0.597 nan 8.230 nan 0.000 0.462 439 G N 0.703 109.333 108.800 -0.283 0.000 2.552 439 G HA2 -0.383 3.579 3.960 0.003 0.000 0.265 439 G HA3 -0.383 3.579 3.960 0.003 0.000 0.265 439 G C 0.770 175.635 174.900 -0.058 0.000 1.234 439 G CA 0.191 45.083 45.100 -0.347 0.000 0.944 439 G HN 0.280 nan 8.290 nan 0.000 0.568 440 A N -0.929 121.878 122.820 -0.021 0.000 2.119 440 A HA 0.418 4.740 4.320 0.003 0.000 0.217 440 A C 2.461 180.138 177.584 0.155 0.000 1.153 440 A CA 2.446 54.579 52.037 0.160 0.000 0.692 440 A CB -0.969 18.121 19.000 0.150 0.000 0.799 440 A HN 2.107 nan 8.150 nan 0.000 0.458 441 E N -0.341 119.945 120.200 0.143 0.000 2.338 441 E HA 0.004 4.356 4.350 0.003 0.000 0.197 441 E C 1.784 178.562 176.600 0.297 0.000 1.007 441 E CA 1.297 57.824 56.400 0.211 0.000 0.849 441 E CB -0.712 29.162 29.700 0.290 0.000 0.774 441 E HN 0.637 nan 8.360 nan 0.000 0.506 442 L N -0.347 121.028 121.223 0.253 0.000 2.131 442 L HA 0.118 4.460 4.340 0.003 0.000 0.206 442 L C 2.318 179.276 176.870 0.147 0.000 1.087 442 L CA 1.355 56.330 54.840 0.224 0.000 0.767 442 L CB -0.246 41.921 42.059 0.179 0.000 0.917 442 L HN 0.350 nan 8.230 nan 0.000 0.441 443 L N -1.055 120.241 121.223 0.122 0.000 2.093 443 L HA -0.150 4.192 4.340 0.003 0.000 0.208 443 L C 2.423 179.295 176.870 0.003 0.000 1.085 443 L CA 1.311 56.153 54.840 0.003 0.000 0.755 443 L CB -0.641 41.413 42.059 -0.009 0.000 0.904 443 L HN 0.254 nan 8.230 nan 0.000 0.435 444 S N -0.155 115.581 115.700 0.059 0.000 2.402 444 S HA -0.167 4.305 4.470 0.003 0.000 0.229 444 S C 1.664 176.326 174.600 0.103 0.000 1.021 444 S CA 1.462 59.700 58.200 0.064 0.000 0.974 444 S CB -0.329 62.904 63.200 0.055 0.000 0.800 444 S HN 0.449 nan 8.310 nan 0.000 0.484 445 N N 1.431 120.199 118.700 0.113 0.000 2.120 445 N HA -0.012 4.730 4.740 0.003 0.000 0.188 445 N C 1.564 177.116 175.510 0.069 0.000 1.024 445 N CA 1.077 54.193 53.050 0.110 0.000 0.852 445 N CB -0.269 38.350 38.487 0.219 0.000 1.003 445 N HN 0.310 nan 8.380 nan 0.000 0.424 446 L N -0.893 120.354 121.223 0.040 0.000 2.027 446 L HA -0.176 4.166 4.340 0.003 0.000 0.206 446 L C 2.065 178.914 176.870 -0.035 0.000 1.074 446 L CA 1.270 56.096 54.840 -0.024 0.000 0.745 446 L CB -0.788 41.208 42.059 -0.105 0.000 0.898 446 L HN 0.289 nan 8.230 nan 0.000 0.433 447 Y N 1.440 121.650 120.300 -0.150 0.000 2.102 447 Y HA -0.360 4.192 4.550 0.003 0.000 0.280 447 Y C 2.346 178.204 175.900 -0.071 0.000 1.178 447 Y CA 2.049 60.066 58.100 -0.138 0.000 1.146 447 Y CB -0.284 38.098 38.460 -0.131 0.000 0.968 447 Y HN 0.274 nan 8.280 nan 0.000 0.504 448 D N -0.108 120.303 120.400 0.018 0.000 2.117 448 D HA -0.154 4.488 4.640 0.003 0.000 0.197 448 D C 2.053 178.300 176.300 -0.088 0.000 0.987 448 D CA 1.587 55.560 54.000 -0.045 0.000 0.829 448 D CB -0.224 40.596 40.800 0.034 0.000 0.961 448 D HN 0.426 nan 8.370 nan 0.000 0.460 449 K N 0.047 120.420 120.400 -0.045 0.000 2.026 449 K HA -0.113 4.209 4.320 0.003 0.000 0.208 449 K C 2.061 178.638 176.600 -0.038 0.000 1.048 449 K CA 0.490 56.768 56.287 -0.015 0.000 0.929 449 K CB -0.176 32.334 32.500 0.017 0.000 0.713 449 K HN 0.015 nan 8.250 nan 0.000 0.439 450 L N 0.897 122.065 121.223 -0.092 0.000 2.027 450 L HA -0.027 4.314 4.340 0.003 0.000 0.206 450 L C 2.203 178.974 176.870 -0.165 0.000 1.074 450 L CA 1.942 56.724 54.840 -0.096 0.000 0.745 450 L CB -1.110 40.880 42.059 -0.114 0.000 0.898 450 L HN 0.224 nan 8.230 nan 0.000 0.433 451 G N -1.142 107.459 108.800 -0.332 0.000 2.469 451 G HA2 -0.395 3.567 3.960 0.003 0.000 0.219 451 G HA3 -0.395 3.567 3.960 0.003 0.000 0.219 451 G C 1.773 176.563 174.900 -0.182 0.000 1.150 451 G CA 1.683 46.566 45.100 -0.361 0.000 0.763 451 G HN 0.533 nan 8.290 nan 0.000 0.561 452 R N 0.469 120.888 120.500 -0.135 0.000 2.073 452 R HA 0.209 4.551 4.340 0.003 0.000 0.234 452 R C 2.599 178.863 176.300 -0.060 0.000 1.134 452 R CA 1.604 57.659 56.100 -0.074 0.000 0.952 452 R CB -1.197 29.076 30.300 -0.046 0.000 0.850 452 R HN 0.500 nan 8.270 nan 0.000 0.433 453 L N 0.143 121.335 121.223 -0.051 0.000 2.083 453 L HA -0.046 4.296 4.340 0.003 0.000 0.209 453 L C 2.485 179.328 176.870 -0.045 0.000 1.083 453 L CA 1.411 56.220 54.840 -0.051 0.000 0.752 453 L CB -0.153 41.899 42.059 -0.012 0.000 0.899 453 L HN 0.424 nan 8.230 nan 0.000 0.433 454 L N -0.560 120.635 121.223 -0.046 0.000 2.141 454 L HA -0.145 4.197 4.340 0.003 0.000 0.209 454 L C 2.537 179.386 176.870 -0.034 0.000 1.094 454 L CA 1.710 56.529 54.840 -0.035 0.000 0.763 454 L CB -0.756 41.277 42.059 -0.044 0.000 0.908 454 L HN 0.497 nan 8.230 nan 0.000 0.437 455 T N -4.631 109.897 114.554 -0.044 0.000 3.042 455 T HA 0.235 4.587 4.350 0.003 0.000 0.245 455 T C 1.248 175.930 174.700 -0.030 0.000 1.029 455 T CA 0.447 62.527 62.100 -0.033 0.000 1.120 455 T CB -0.221 68.626 68.868 -0.035 0.000 0.917 455 T HN 0.241 nan 8.240 nan 0.000 0.467 462 S N 1.433 117.119 115.700 -0.023 0.000 2.560 462 S HA 0.138 4.610 4.470 0.003 0.000 0.284 462 S C 1.342 175.910 174.600 -0.053 0.000 1.327 462 S CA 0.017 58.180 58.200 -0.063 0.000 1.055 462 S CB -0.008 63.091 63.200 -0.168 0.000 0.868 462 S HN 1.436 nan 8.310 nan 0.000 0.506 463 W N 2.535 123.850 121.300 0.025 0.000 2.331 463 W HA -0.240 4.422 4.660 0.003 0.000 0.291 463 W C 1.121 177.671 176.519 0.052 0.000 1.214 463 W CA 1.224 58.581 57.345 0.021 0.000 1.228 463 W CB -1.430 28.012 29.460 -0.030 0.000 1.135 463 W HN 0.683 nan 8.180 nan 0.000 0.537 464 Q N 0.082 119.255 119.800 -1.046 0.000 2.077 464 Q HA -0.271 4.071 4.340 0.003 0.000 0.206 464 Q C 2.506 178.379 176.000 -0.211 0.000 0.989 464 Q CA 2.399 57.669 55.803 -0.889 0.000 0.853 464 Q CB -1.098 27.082 28.738 -0.931 0.000 0.907 464 Q HN 0.383 nan 8.270 nan 0.000 0.418 465 H N -0.454 118.510 119.070 -0.177 0.000 2.357 465 H HA -0.049 4.509 4.556 0.003 0.000 0.301 465 H C 1.612 176.953 175.328 0.023 0.000 1.082 465 H CA 1.826 57.853 56.048 -0.034 0.000 1.342 465 H CB 0.205 29.951 29.762 -0.027 0.000 1.389 465 H HN 0.226 nan 8.280 nan 0.000 0.511 466 T N 0.819 115.504 114.554 0.219 0.000 2.857 466 T HA -0.099 4.253 4.350 0.003 0.000 0.266 466 T C 1.871 176.672 174.700 0.168 0.000 1.048 466 T CA 0.968 63.186 62.100 0.197 0.000 1.139 466 T CB 0.061 69.033 68.868 0.173 0.000 0.874 466 T HN 0.363 nan 8.240 nan 0.000 0.455 467 E N 1.327 121.643 120.200 0.193 0.000 2.106 467 E HA -0.074 4.278 4.350 0.003 0.000 0.192 467 E C 2.334 179.066 176.600 0.219 0.000 0.984 467 E CA 1.103 57.649 56.400 0.244 0.000 0.806 467 E CB -0.167 29.754 29.700 0.368 0.000 0.750 467 E HN 0.459 nan 8.360 nan 0.000 0.458 468 A N 1.152 124.055 122.820 0.137 0.000 1.898 468 A HA -0.092 4.229 4.320 0.003 0.000 0.216 468 A C 2.408 180.071 177.584 0.133 0.000 1.181 468 A CA 0.946 53.054 52.037 0.118 0.000 0.620 468 A CB -0.607 18.393 19.000 0.001 0.000 0.819 468 A HN 0.280 nan 8.150 nan 0.000 0.442 469 L N -1.227 120.035 121.223 0.064 0.000 2.083 469 L HA -0.144 4.198 4.340 0.003 0.000 0.209 469 L C 2.486 179.434 176.870 0.130 0.000 1.083 469 L CA 0.780 55.657 54.840 0.060 0.000 0.752 469 L CB -0.463 41.623 42.059 0.044 0.000 0.899 469 L HN 0.361 nan 8.230 nan 0.000 0.433 470 L N -1.193 120.138 121.223 0.180 0.000 2.156 470 L HA -0.207 4.135 4.340 0.003 0.000 0.208 470 L C 2.382 179.398 176.870 0.244 0.000 1.095 470 L CA 1.481 56.456 54.840 0.226 0.000 0.770 470 L CB -0.644 41.542 42.059 0.211 0.000 0.914 470 L HN 0.158 nan 8.230 nan 0.000 0.439 471 Y N -0.103 120.261 120.300 0.106 0.000 2.274 471 Y HA -0.117 4.435 4.550 0.003 0.000 0.290 471 Y C 2.206 178.128 175.900 0.037 0.000 1.145 471 Y CA 1.506 59.651 58.100 0.075 0.000 1.203 471 Y CB -0.658 37.849 38.460 0.079 0.000 0.984 471 Y HN 0.169 nan 8.280 nan 0.000 0.533 472 G N -0.341 108.507 108.800 0.081 0.000 2.421 472 G HA2 -0.321 3.641 3.960 0.003 0.000 0.216 472 G HA3 -0.321 3.641 3.960 0.003 0.000 0.216 472 G C 1.604 176.499 174.900 -0.010 0.000 1.171 472 G CA 0.855 45.938 45.100 -0.028 0.000 0.775 472 G HN 0.464 nan 8.290 nan 0.000 0.543 473 F N 1.432 121.310 119.950 -0.120 0.000 2.186 473 F HA -0.024 4.505 4.527 0.003 0.000 0.299 473 F C 2.646 178.341 175.800 -0.175 0.000 1.090 473 F CA 1.574 59.488 58.000 -0.143 0.000 1.307 473 F CB -0.583 38.364 39.000 -0.089 0.000 1.019 473 F HN 0.316 nan 8.300 nan 0.000 0.489 474 Q N 0.037 119.731 119.800 -0.176 0.000 2.084 474 Q HA -0.180 4.162 4.340 0.003 0.000 0.202 474 Q C 2.245 178.043 176.000 -0.338 0.000 0.978 474 Q CA 2.296 57.921 55.803 -0.295 0.000 0.844 474 Q CB -0.200 28.448 28.738 -0.151 0.000 0.898 474 Q HN 0.489 nan 8.270 nan 0.000 0.426 475 S N -0.438 115.013 115.700 -0.414 0.000 2.447 475 S HA -0.054 4.418 4.470 0.003 0.000 0.233 475 S C 1.669 176.094 174.600 -0.291 0.000 1.006 475 S CA 0.852 58.809 58.200 -0.405 0.000 0.957 475 S CB -0.162 62.721 63.200 -0.528 0.000 0.773 475 S HN 0.464 nan 8.310 nan 0.000 0.507 476 I N 1.017 121.429 120.570 -0.263 0.000 3.854 476 I HA 0.219 4.391 4.170 0.003 0.000 0.312 476 I C 2.719 178.658 176.117 -0.297 0.000 1.273 476 I CA 0.454 61.586 61.300 -0.280 0.000 1.298 476 I CB -0.356 37.457 38.000 -0.312 0.000 1.071 476 I HN 0.325 nan 8.210 nan 0.000 0.428 477 A N 1.515 124.138 122.820 -0.328 0.000 1.884 477 A HA -0.266 4.056 4.320 0.003 0.000 0.219 477 A C 2.146 179.599 177.584 -0.218 0.000 1.197 477 A CA 2.060 53.872 52.037 -0.375 0.000 0.637 477 A CB -0.586 18.056 19.000 -0.596 0.000 0.827 477 A HN 0.454 nan 8.150 nan 0.000 0.450 478 E N -1.202 118.896 120.200 -0.170 0.000 2.150 478 E HA -0.101 4.251 4.350 0.003 0.000 0.193 478 E C 1.863 178.443 176.600 -0.034 0.000 0.985 478 E CA 1.399 57.747 56.400 -0.086 0.000 0.814 478 E CB -0.260 29.389 29.700 -0.085 0.000 0.752 478 E HN 0.621 nan 8.360 nan 0.000 0.466 479 T N 1.202 115.728 114.554 -0.047 0.000 3.023 479 T HA 0.033 4.385 4.350 0.003 0.000 0.266 479 T C 0.935 175.731 174.700 0.161 0.000 1.093 479 T CA 0.177 62.305 62.100 0.047 0.000 1.129 479 T CB -0.060 68.842 68.868 0.057 0.000 0.899 479 T HN 0.051 nan 8.240 nan 0.000 0.491 480 I N 3.029 123.640 120.570 0.069 0.000 2.741 480 I HA -0.031 4.141 4.170 0.003 0.000 0.288 480 I C 0.905 177.185 176.117 0.273 0.000 1.192 480 I CA -0.228 61.187 61.300 0.192 0.000 1.426 480 I CB 0.192 38.198 38.000 0.009 0.000 1.367 480 I HN 0.154 nan 8.210 nan 0.000 0.563 481 D N 5.365 125.982 120.400 0.361 0.000 2.352 481 D HA 0.011 4.653 4.640 0.003 0.000 0.238 481 D C 0.740 177.221 176.300 0.302 0.000 1.286 481 D CA -0.030 54.147 54.000 0.295 0.000 0.923 481 D CB 1.282 42.289 40.800 0.344 0.000 1.146 481 D HN 0.222 nan 8.370 nan 0.000 0.471 482 V N 1.961 122.022 119.914 0.246 0.000 3.660 482 V HA -0.009 4.113 4.120 0.003 0.000 0.276 482 V C 1.786 177.981 176.094 0.167 0.000 1.317 482 V CA 0.097 62.571 62.300 0.289 0.000 1.097 482 V CB -0.407 31.541 31.823 0.209 0.000 0.863 482 V HN 0.503 nan 8.190 nan 0.000 0.438 483 N N 1.071 119.790 118.700 0.031 0.000 2.300 483 N HA -0.120 4.622 4.740 0.003 0.000 0.179 483 N C 0.953 176.090 175.510 -0.622 0.000 1.016 483 N CA 1.396 54.256 53.050 -0.318 0.000 0.876 483 N CB -0.076 38.133 38.487 -0.464 0.000 0.979 483 N HN 0.567 nan 8.380 nan 0.000 0.432 484 Y N -0.359 120.026 120.300 0.141 0.000 2.751 484 Y HA 0.463 5.015 4.550 0.003 0.000 0.289 484 Y C 1.574 177.546 175.900 0.121 0.000 1.110 484 Y CA -0.007 58.163 58.100 0.117 0.000 1.251 484 Y CB -0.248 38.275 38.460 0.105 0.000 1.178 484 Y HN 0.055 nan 8.280 nan 0.000 0.540 485 S N 0.370 116.180 115.700 0.184 0.000 2.763 485 S HA -0.030 4.442 4.470 0.003 0.000 0.237 485 S C 1.429 176.113 174.600 0.140 0.000 0.966 485 S CA 0.441 58.761 58.200 0.199 0.000 1.017 485 S CB -0.471 63.037 63.200 0.512 0.000 0.780 485 S HN 0.457 nan 8.310 nan 0.000 0.476 486 D N -0.047 120.403 120.400 0.083 0.000 2.289 486 D HA -0.062 4.580 4.640 0.003 0.000 0.207 486 D C 1.400 177.679 176.300 -0.035 0.000 0.966 486 D CA 0.797 54.826 54.000 0.048 0.000 0.868 486 D CB -0.499 40.322 40.800 0.035 0.000 0.943 486 D HN 0.290 nan 8.370 nan 0.000 0.514 487 V N 0.614 120.488 119.914 -0.067 0.000 2.548 487 V HA -0.141 3.981 4.120 0.003 0.000 0.249 487 V C 2.801 178.753 176.094 -0.237 0.000 1.055 487 V CA 0.729 62.923 62.300 -0.176 0.000 1.065 487 V CB -0.376 31.371 31.823 -0.127 0.000 0.681 487 V HN 0.079 nan 8.190 nan 0.000 0.462 488 V N 0.568 120.344 119.914 -0.231 0.000 2.332 488 V HA -0.169 3.953 4.120 0.003 0.000 0.248 488 V C 0.237 176.121 176.094 -0.350 0.000 1.055 488 V CA 2.621 64.685 62.300 -0.393 0.000 1.038 488 V CB -1.642 29.714 31.823 -0.778 0.000 0.651 488 V HN 0.512 nan 8.190 nan 0.000 0.450 489 P HA -0.121 nan 4.420 nan 0.000 0.216 489 P C 1.724 178.997 177.300 -0.045 0.000 1.150 489 P CA 1.790 64.869 63.100 -0.035 0.000 0.837 489 P CB -0.319 31.442 31.700 0.101 0.000 0.786 490 G N -0.208 108.514 108.800 -0.130 0.000 2.446 490 G HA2 -0.250 3.712 3.960 0.003 0.000 0.217 490 G HA3 -0.250 3.712 3.960 0.003 0.000 0.217 490 G C 1.495 176.458 174.900 0.105 0.000 1.168 490 G CA 0.624 45.639 45.100 -0.142 0.000 0.771 490 G HN 0.228 nan 8.290 nan 0.000 0.551 491 L N 0.004 121.230 121.223 0.004 0.000 2.093 491 L HA 0.040 4.382 4.340 0.003 0.000 0.208 491 L C 2.848 179.752 176.870 0.058 0.000 1.085 491 L CA 0.505 55.350 54.840 0.010 0.000 0.755 491 L CB -0.264 41.542 42.059 -0.422 0.000 0.904 491 L HN 0.204 nan 8.230 nan 0.000 0.435 492 I N -0.302 120.298 120.570 0.048 0.000 2.264 492 I HA -0.242 3.930 4.170 0.003 0.000 0.248 492 I C 2.582 178.753 176.117 0.089 0.000 1.111 492 I CA 1.421 62.774 61.300 0.088 0.000 1.382 492 I CB -0.812 37.224 38.000 0.060 0.000 1.060 492 I HN 0.296 nan 8.210 nan 0.000 0.418 493 G N 1.044 109.897 108.800 0.089 0.000 2.440 493 G HA2 -0.207 3.755 3.960 0.003 0.000 0.218 493 G HA3 -0.207 3.755 3.960 0.003 0.000 0.218 493 G C 1.679 176.626 174.900 0.079 0.000 1.154 493 G CA 0.503 45.657 45.100 0.090 0.000 0.767 493 G HN 0.296 nan 8.290 nan 0.000 0.552 494 L N 0.128 121.401 121.223 0.083 0.000 2.201 494 L HA 0.005 4.347 4.340 0.003 0.000 0.212 494 L C 2.812 179.706 176.870 0.040 0.000 1.105 494 L CA 0.338 55.199 54.840 0.035 0.000 0.775 494 L CB -0.392 41.651 42.059 -0.026 0.000 0.913 494 L HN 0.226 nan 8.230 nan 0.000 0.440 495 I N 0.554 121.163 120.570 0.066 0.000 2.118 495 I HA -0.242 3.930 4.170 0.003 0.000 0.241 495 I C -0.399 175.748 176.117 0.051 0.000 1.070 495 I CA 1.587 62.929 61.300 0.071 0.000 1.327 495 I CB -1.476 36.577 38.000 0.088 0.000 1.034 495 I HN 0.196 nan 8.210 nan 0.000 0.405 496 P HA -0.108 nan 4.420 nan 0.000 0.234 496 P C 0.905 178.219 177.300 0.024 0.000 1.162 496 P CA 1.212 64.331 63.100 0.032 0.000 0.759 496 P CB -0.088 31.631 31.700 0.032 0.000 0.813 497 R N -1.573 118.942 120.500 0.026 0.000 2.334 497 R HA 0.239 4.581 4.340 0.003 0.000 0.212 497 R C 0.688 177.000 176.300 0.021 0.000 0.897 497 R CA -0.203 55.908 56.100 0.018 0.000 1.056 497 R CB 0.206 30.512 30.300 0.011 0.000 1.046 497 R HN 0.241 nan 8.270 nan 0.000 0.513 498 I N 1.566 122.156 120.570 0.032 0.000 2.575 498 I HA 0.061 4.233 4.170 0.003 0.000 0.285 498 I C 0.794 176.937 176.117 0.042 0.000 1.085 498 I CA 0.097 61.422 61.300 0.043 0.000 1.403 498 I CB 1.187 39.224 38.000 0.061 0.000 1.409 498 I HN 0.168 nan 8.210 nan 0.000 0.557 499 S N 7.376 123.105 115.700 0.048 0.000 2.411 499 S HA 0.422 4.894 4.470 0.003 0.000 0.304 499 S C 0.201 174.833 174.600 0.054 0.000 1.098 499 S CA -0.472 57.755 58.200 0.045 0.000 1.068 499 S CB -0.325 62.902 63.200 0.046 0.000 1.032 499 S HN 0.510 nan 8.310 nan 0.000 0.511 500 I N 3.978 124.569 120.570 0.036 0.000 2.352 500 I HA -0.014 4.157 4.170 0.003 0.000 0.303 500 I C 1.336 177.441 176.117 -0.019 0.000 1.194 500 I CA -0.185 61.125 61.300 0.015 0.000 1.518 500 I CB 0.175 38.181 38.000 0.010 0.000 1.489 500 I HN 0.734 nan 8.210 nan 0.000 0.702 501 S N 2.788 118.474 115.700 -0.023 0.000 2.517 501 S HA 0.095 4.567 4.470 0.003 0.000 0.214 501 S C 0.523 174.991 174.600 -0.221 0.000 0.991 501 S CA -0.343 57.815 58.200 -0.069 0.000 0.906 501 S CB -0.017 63.190 63.200 0.012 0.000 0.789 501 S HN 0.647 nan 8.310 nan 0.000 0.513 502 N N -0.618 117.875 118.700 -0.345 0.000 2.312 502 N HA 0.481 5.223 4.740 0.003 0.000 0.296 502 N C 0.551 175.787 175.510 -0.458 0.000 1.193 502 N CA -0.622 52.047 53.050 -0.635 0.000 0.773 502 N CB 1.955 39.564 38.487 -1.463 0.000 1.435 502 N HN -0.161 nan 8.380 nan 0.000 0.484 503 V N 1.174 120.822 119.914 -0.444 0.000 2.548 503 V HA -0.137 3.984 4.120 0.003 0.000 0.249 503 V C 2.132 178.056 176.094 -0.282 0.000 1.055 503 V CA 1.583 63.710 62.300 -0.288 0.000 1.065 503 V CB -0.716 30.973 31.823 -0.223 0.000 0.681 503 V HN 0.734 nan 8.190 nan 0.000 0.462 504 Q N 0.444 119.974 119.800 -0.450 0.000 2.084 504 Q HA -0.205 4.137 4.340 0.003 0.000 0.202 504 Q C 1.971 177.891 176.000 -0.133 0.000 0.978 504 Q CA 1.961 57.561 55.803 -0.339 0.000 0.844 504 Q CB -0.559 27.804 28.738 -0.625 0.000 0.898 504 Q HN 0.519 nan 8.270 nan 0.000 0.426 505 L N -0.001 121.131 121.223 -0.153 0.000 2.141 505 L HA 0.112 4.454 4.340 0.003 0.000 0.209 505 L C 2.009 178.879 176.870 0.001 0.000 1.094 505 L CA 1.935 56.800 54.840 0.041 0.000 0.763 505 L CB -1.033 41.086 42.059 0.099 0.000 0.908 505 L HN 0.259 nan 8.230 nan 0.000 0.437 506 A N -0.740 122.033 122.820 -0.078 0.000 1.877 506 A HA -0.193 4.129 4.320 0.003 0.000 0.216 506 A C 2.014 179.541 177.584 -0.094 0.000 1.186 506 A CA 1.816 53.807 52.037 -0.076 0.000 0.620 506 A CB -0.749 18.188 19.000 -0.104 0.000 0.822 506 A HN 0.492 nan 8.150 nan 0.000 0.443 507 D N -0.476 119.867 120.400 -0.094 0.000 2.097 507 D HA -0.096 4.546 4.640 0.003 0.000 0.195 507 D C 2.057 178.298 176.300 -0.098 0.000 0.989 507 D CA 1.871 55.763 54.000 -0.181 0.000 0.827 507 D CB -0.772 40.050 40.800 0.036 0.000 0.966 507 D HN 0.388 nan 8.370 nan 0.000 0.456 508 T N 0.943 115.584 114.554 0.145 0.000 2.665 508 T HA -0.134 4.218 4.350 0.003 0.000 0.268 508 T C 2.260 177.040 174.700 0.133 0.000 1.035 508 T CA 0.913 63.166 62.100 0.254 0.000 1.151 508 T CB -0.469 68.556 68.868 0.261 0.000 0.862 508 T HN -0.031 nan 8.240 nan 0.000 0.438 509 V N 1.575 121.523 119.914 0.058 0.000 2.287 509 V HA -0.200 3.922 4.120 0.003 0.000 0.248 509 V C 2.588 178.661 176.094 -0.035 0.000 1.053 509 V CA 1.523 63.840 62.300 0.028 0.000 1.027 509 V CB -0.517 31.317 31.823 0.019 0.000 0.646 509 V HN 0.443 nan 8.190 nan 0.000 0.447 510 M N -1.317 118.198 119.600 -0.141 0.000 2.117 510 M HA -0.105 4.377 4.480 0.003 0.000 0.262 510 M C 2.167 178.339 176.300 -0.212 0.000 1.065 510 M CA 1.790 56.953 55.300 -0.228 0.000 1.114 510 M CB -1.311 31.055 32.600 -0.389 0.000 1.361 510 M HN 0.315 nan 8.290 nan 0.000 0.408 511 F N 0.695 120.647 119.950 0.002 0.000 2.186 511 F HA -0.103 4.426 4.527 0.004 0.000 0.299 511 F C 2.644 178.400 175.800 -0.073 0.000 1.090 511 F CA 1.168 59.156 58.000 -0.020 0.000 1.307 511 F CB -1.655 37.350 39.000 0.008 0.000 1.019 511 F HN 0.164 nan 8.300 nan 0.000 0.489 512 T N 0.730 115.328 114.554 0.074 0.000 2.708 512 T HA -0.160 4.192 4.350 0.003 0.000 0.266 512 T C 2.230 176.849 174.700 -0.135 0.000 1.037 512 T CA 1.489 63.527 62.100 -0.103 0.000 1.146 512 T CB -0.468 68.341 68.868 -0.099 0.000 0.865 512 T HN 0.163 nan 8.240 nan 0.000 0.435 513 I N 0.969 121.501 120.570 -0.064 0.000 2.361 513 I HA -0.104 4.068 4.170 0.003 0.000 0.251 513 I C 2.785 178.883 176.117 -0.032 0.000 1.133 513 I CA 1.194 62.467 61.300 -0.046 0.000 1.413 513 I CB -0.621 37.364 38.000 -0.025 0.000 1.073 513 I HN 0.307 nan 8.210 nan 0.000 0.424 514 G N 0.449 109.241 108.800 -0.013 0.000 2.403 514 G HA2 -0.133 3.829 3.960 0.003 0.000 0.216 514 G HA3 -0.133 3.829 3.960 0.003 0.000 0.216 514 G C 1.881 176.773 174.900 -0.014 0.000 1.154 514 G CA 0.669 45.773 45.100 0.006 0.000 0.784 514 G HN 0.465 nan 8.290 nan 0.000 0.538 515 A N 0.574 123.369 122.820 -0.042 0.000 1.972 515 A HA 0.138 4.459 4.320 0.003 0.000 0.219 515 A C 2.164 179.692 177.584 -0.093 0.000 1.169 515 A CA 0.909 52.892 52.037 -0.091 0.000 0.635 515 A CB -0.300 18.600 19.000 -0.166 0.000 0.810 515 A HN 0.347 nan 8.150 nan 0.000 0.446 516 L N -0.074 121.089 121.223 -0.100 0.000 2.612 516 L HA 0.028 4.370 4.340 0.003 0.000 0.230 516 L C 2.206 179.142 176.870 0.109 0.000 1.140 516 L CA 0.131 54.960 54.840 -0.018 0.000 0.896 516 L CB -0.155 41.855 42.059 -0.082 0.000 1.065 516 L HN 0.227 nan 8.230 nan 0.000 0.447 517 S N 0.374 116.103 115.700 0.048 0.000 2.372 517 S HA -0.245 4.227 4.470 0.003 0.000 0.227 517 S C 1.860 176.502 174.600 0.070 0.000 1.044 517 S CA 1.718 59.946 58.200 0.045 0.000 1.050 517 S CB -0.113 63.083 63.200 -0.007 0.000 0.901 517 S HN 0.547 nan 8.310 nan 0.000 0.447 518 E N -0.679 119.565 120.200 0.073 0.000 2.106 518 E HA -0.172 4.180 4.350 0.003 0.000 0.192 518 E C 1.804 178.488 176.600 0.140 0.000 0.984 518 E CA 0.958 57.401 56.400 0.071 0.000 0.806 518 E CB -0.183 29.549 29.700 0.054 0.000 0.750 518 E HN 0.689 nan 8.360 nan 0.000 0.458 519 W N 1.542 122.865 121.300 0.039 0.000 2.363 519 W HA -0.131 4.530 4.660 0.003 0.000 0.296 519 W C 1.691 178.326 176.519 0.192 0.000 1.212 519 W CA 1.165 58.580 57.345 0.116 0.000 1.260 519 W CB -0.052 29.441 29.460 0.054 0.000 1.131 519 W HN -0.039 nan 8.180 nan 0.000 0.530 520 L N 0.385 121.815 121.223 0.344 0.000 2.141 520 L HA -0.137 4.204 4.340 0.003 0.000 0.209 520 L C 2.660 179.535 176.870 0.008 0.000 1.094 520 L CA 1.079 56.040 54.840 0.201 0.000 0.763 520 L CB -1.221 40.963 42.059 0.208 0.000 0.908 520 L HN 0.063 nan 8.230 nan 0.000 0.437 521 A N -0.432 122.381 122.820 -0.012 0.000 2.019 521 A HA -0.199 4.122 4.320 0.003 0.000 0.219 521 A C 1.728 179.229 177.584 -0.139 0.000 1.164 521 A CA 1.802 53.808 52.037 -0.053 0.000 0.644 521 A CB -0.295 18.681 19.000 -0.038 0.000 0.805 521 A HN 0.342 nan 8.150 nan 0.000 0.449 522 D N -1.340 118.900 120.400 -0.267 0.000 2.367 522 D HA 0.068 4.710 4.640 0.003 0.000 0.207 522 D C -0.083 175.693 176.300 -0.872 0.000 1.034 522 D CA 0.495 54.185 54.000 -0.518 0.000 0.861 522 D CB 0.002 40.435 40.800 -0.612 0.000 0.943 522 D HN 0.596 nan 8.370 nan 0.000 0.515 523 H N -0.204 118.582 119.070 -0.474 0.000 2.380 523 H HA 0.195 4.752 4.556 0.003 0.000 0.231 523 H C -1.868 173.349 175.328 -0.184 0.000 1.415 523 H CA -1.296 54.490 56.048 -0.436 0.000 1.433 523 H CB 1.501 30.710 29.762 -0.921 0.000 1.544 523 H HN -0.050 nan 8.280 nan 0.000 0.503 524 P HA -0.151 nan 4.420 nan 0.000 0.221 524 P C 1.715 179.073 177.300 0.096 0.000 1.145 524 P CA 0.509 63.633 63.100 0.040 0.000 0.795 524 P CB 0.473 32.191 31.700 0.030 0.000 0.775 525 V N -0.818 119.151 119.914 0.092 0.000 2.407 525 V HA -0.225 3.897 4.120 0.003 0.000 0.248 525 V C 2.162 178.342 176.094 0.142 0.000 1.055 525 V CA 1.587 63.955 62.300 0.114 0.000 1.049 525 V CB -0.989 30.892 31.823 0.097 0.000 0.662 525 V HN 0.119 nan 8.190 nan 0.000 0.455 526 M N -1.042 118.662 119.600 0.173 0.000 2.549 526 M HA -0.029 4.453 4.480 0.003 0.000 0.260 526 M C 2.002 178.390 176.300 0.146 0.000 1.076 526 M CA 1.235 56.652 55.300 0.195 0.000 1.090 526 M CB -1.173 31.623 32.600 0.327 0.000 1.418 526 M HN 0.306 nan 8.290 nan 0.000 0.486 527 I N 0.662 121.300 120.570 0.114 0.000 2.163 527 I HA -0.361 3.811 4.170 0.003 0.000 0.243 527 I C 2.243 178.342 176.117 -0.030 0.000 1.085 527 I CA 1.394 62.704 61.300 0.017 0.000 1.347 527 I CB -0.508 37.475 38.000 -0.028 0.000 1.044 527 I HN 0.339 nan 8.210 nan 0.000 0.408 528 N N 0.912 119.658 118.700 0.076 0.000 2.132 528 N HA -0.236 4.505 4.740 0.003 0.000 0.191 528 N C 1.894 177.442 175.510 0.063 0.000 1.015 528 N CA 2.154 55.273 53.050 0.115 0.000 0.864 528 N CB -0.172 38.428 38.487 0.189 0.000 1.006 528 N HN 0.457 nan 8.380 nan 0.000 0.430 529 S N -0.502 115.239 115.700 0.069 0.000 2.395 529 S HA 0.011 4.483 4.470 0.003 0.000 0.225 529 S C 2.052 176.677 174.600 0.042 0.000 1.027 529 S CA 1.425 59.661 58.200 0.061 0.000 0.965 529 S CB -0.589 62.659 63.200 0.080 0.000 0.812 529 S HN 0.250 nan 8.310 nan 0.000 0.482 530 V N -1.825 118.110 119.914 0.034 0.000 2.825 530 V HA 0.178 4.300 4.120 0.003 0.000 0.246 530 V C 2.138 178.227 176.094 -0.007 0.000 1.068 530 V CA 0.633 62.946 62.300 0.022 0.000 1.088 530 V CB -0.616 31.228 31.823 0.034 0.000 0.733 530 V HN 0.341 nan 8.190 nan 0.000 0.468 531 L N 1.440 122.635 121.223 -0.046 0.000 2.042 531 L HA 0.058 4.400 4.340 0.003 0.000 0.210 531 L C 0.037 176.893 176.870 -0.024 0.000 1.076 531 L CA 2.440 57.235 54.840 -0.075 0.000 0.749 531 L CB -1.689 40.247 42.059 -0.204 0.000 0.893 531 L HN 0.265 nan 8.230 nan 0.000 0.432 532 P HA -0.180 nan 4.420 nan 0.000 0.216 532 P C 2.089 179.414 177.300 0.040 0.000 1.150 532 P CA 1.457 64.569 63.100 0.020 0.000 0.837 532 P CB 0.007 31.714 31.700 0.012 0.000 0.786 533 L N -1.483 119.759 121.223 0.032 0.000 2.056 533 L HA -0.138 4.204 4.340 0.003 0.000 0.207 533 L C 2.338 179.245 176.870 0.063 0.000 1.078 533 L CA 1.266 56.139 54.840 0.054 0.000 0.749 533 L CB -0.920 41.159 42.059 0.032 0.000 0.901 533 L HN -0.131 nan 8.230 nan 0.000 0.433 534 V N -0.050 119.882 119.914 0.029 0.000 2.358 534 V HA -0.260 3.862 4.120 0.003 0.000 0.246 534 V C 2.285 178.403 176.094 0.039 0.000 1.047 534 V CA 1.474 63.783 62.300 0.015 0.000 1.035 534 V CB -0.308 31.511 31.823 -0.007 0.000 0.658 534 V HN 0.351 nan 8.190 nan 0.000 0.452 535 L N -0.575 120.680 121.223 0.053 0.000 2.275 535 L HA -0.162 4.180 4.340 0.003 0.000 0.215 535 L C 2.471 179.407 176.870 0.111 0.000 1.119 535 L CA 1.471 56.353 54.840 0.071 0.000 0.790 535 L CB -0.643 41.455 42.059 0.066 0.000 0.919 535 L HN 0.468 nan 8.230 nan 0.000 0.443 536 H N 0.044 119.119 119.070 0.009 0.000 2.415 536 H HA 0.050 4.608 4.556 0.003 0.000 0.297 536 H C 2.134 177.464 175.328 0.004 0.000 1.048 536 H CA 1.056 57.107 56.048 0.006 0.000 1.365 536 H CB 0.254 30.016 29.762 0.001 0.000 1.421 536 H HN 0.190 nan 8.280 nan 0.000 0.533 537 A N 0.289 123.104 122.820 -0.009 0.000 2.015 537 A HA -0.064 4.258 4.320 0.003 0.000 0.219 537 A C 2.143 179.704 177.584 -0.038 0.000 1.163 537 A CA 1.073 53.068 52.037 -0.070 0.000 0.646 537 A CB -0.743 18.240 19.000 -0.029 0.000 0.806 537 A HN 0.427 nan 8.150 nan 0.000 0.448 538 L N -0.336 120.897 121.223 0.018 0.000 2.265 538 L HA -0.063 4.279 4.340 0.003 0.000 0.215 538 L C 2.258 179.166 176.870 0.064 0.000 1.117 538 L CA 1.620 56.531 54.840 0.118 0.000 0.782 538 L CB -0.406 41.727 42.059 0.124 0.000 0.914 538 L HN 0.370 nan 8.230 nan 0.000 0.441 539 G N -1.804 106.953 108.800 -0.072 0.000 3.042 539 G HA2 -0.063 3.899 3.960 0.003 0.000 0.212 539 G HA3 -0.063 3.899 3.960 0.003 0.000 0.212 539 G C 0.557 175.353 174.900 -0.174 0.000 1.166 539 G CA -0.248 44.769 45.100 -0.138 0.000 0.767 539 G HN 0.255 nan 8.290 nan 0.000 0.546 540 N N 1.203 119.813 118.700 -0.150 0.000 2.501 540 N HA 0.195 4.937 4.740 0.003 0.000 0.245 540 N C -1.707 173.743 175.510 -0.100 0.000 0.974 540 N CA -1.306 51.663 53.050 -0.134 0.000 0.941 540 N CB 2.641 41.048 38.487 -0.133 0.000 1.122 540 N HN -0.016 nan 8.380 nan 0.000 0.507 541 P HA -0.209 nan 4.420 nan 0.000 0.217 541 P C 0.752 178.032 177.300 -0.034 0.000 1.148 541 P CA 1.449 64.497 63.100 -0.088 0.000 0.828 541 P CB 0.296 31.931 31.700 -0.108 0.000 0.783 542 E N 0.077 120.246 120.200 -0.051 0.000 2.401 542 E HA -0.087 4.265 4.350 0.003 0.000 0.199 542 E C 1.255 177.833 176.600 -0.036 0.000 1.023 542 E CA 0.623 56.996 56.400 -0.046 0.000 0.859 542 E CB -0.635 29.025 29.700 -0.067 0.000 0.780 542 E HN 0.332 nan 8.360 nan 0.000 0.523 543 L N 1.051 122.258 121.223 -0.028 0.000 3.218 543 L HA 0.238 4.580 4.340 0.003 0.000 0.279 543 L C 1.559 178.445 176.870 0.026 0.000 1.287 543 L CA -0.283 54.541 54.840 -0.027 0.000 1.024 543 L CB 0.763 42.787 42.059 -0.058 0.000 1.409 543 L HN 0.043 nan 8.230 nan 0.000 0.580 544 S N 0.077 115.822 115.700 0.075 0.000 2.357 544 S HA -0.103 4.368 4.470 0.003 0.000 0.221 544 S C 1.854 176.476 174.600 0.036 0.000 1.031 544 S CA 1.363 59.653 58.200 0.150 0.000 0.982 544 S CB 0.200 63.551 63.200 0.252 0.000 0.853 544 S HN 0.235 nan 8.310 nan 0.000 0.458 545 V N 2.266 122.216 119.914 0.061 0.000 2.343 545 V HA -0.117 4.005 4.120 0.003 0.000 0.247 545 V C 2.908 179.141 176.094 0.233 0.000 1.051 545 V CA 2.106 64.506 62.300 0.168 0.000 1.036 545 V CB -0.937 31.006 31.823 0.200 0.000 0.654 545 V HN 0.794 nan 8.190 nan 0.000 0.451 546 S N 0.734 116.471 115.700 0.061 0.000 2.371 546 S HA -0.178 4.294 4.470 0.003 0.000 0.224 546 S C 2.204 176.704 174.600 -0.167 0.000 1.029 546 S CA 1.646 59.722 58.200 -0.206 0.000 0.978 546 S CB -0.632 62.205 63.200 -0.605 0.000 0.833 546 S HN 0.713 nan 8.310 nan 0.000 0.466 547 S N 1.722 117.367 115.700 -0.091 0.000 2.368 547 S HA -0.031 4.441 4.470 0.003 0.000 0.224 547 S C 1.893 176.486 174.600 -0.012 0.000 1.029 547 S CA 1.119 59.285 58.200 -0.056 0.000 0.988 547 S CB -1.123 62.067 63.200 -0.016 0.000 0.838 547 S HN 0.402 nan 8.310 nan 0.000 0.462 548 V N 3.092 123.014 119.914 0.013 0.000 2.515 548 V HA -0.118 4.004 4.120 0.003 0.000 0.250 548 V C 3.134 179.317 176.094 0.148 0.000 1.058 548 V CA 1.728 64.065 62.300 0.063 0.000 1.064 548 V CB -1.220 30.628 31.823 0.041 0.000 0.675 548 V HN 0.807 nan 8.190 nan 0.000 0.461 549 S N -0.395 115.406 115.700 0.167 0.000 2.368 549 S HA -0.206 4.266 4.470 0.003 0.000 0.224 549 S C 1.971 176.575 174.600 0.006 0.000 1.029 549 S CA 1.826 60.044 58.200 0.031 0.000 0.988 549 S CB -0.802 62.427 63.200 0.048 0.000 0.838 549 S HN 0.508 nan 8.310 nan 0.000 0.462 550 T N 2.609 117.168 114.554 0.008 0.000 2.788 550 T HA 0.067 4.419 4.350 0.003 0.000 0.268 550 T C 1.641 176.335 174.700 -0.009 0.000 1.044 550 T CA 1.265 63.359 62.100 -0.010 0.000 1.139 550 T CB -0.548 68.293 68.868 -0.044 0.000 0.867 550 T HN 0.289 nan 8.240 nan 0.000 0.454 551 L N 1.463 122.688 121.223 0.002 0.000 2.083 551 L HA 0.061 4.403 4.340 0.003 0.000 0.209 551 L C 2.265 179.150 176.870 0.025 0.000 1.083 551 L CA 1.827 56.673 54.840 0.010 0.000 0.752 551 L CB -0.544 41.528 42.059 0.021 0.000 0.899 551 L HN 0.072 nan 8.230 nan 0.000 0.433 552 K N -0.573 119.848 120.400 0.034 0.000 2.057 552 K HA -0.187 4.135 4.320 0.003 0.000 0.207 552 K C 2.106 178.716 176.600 0.017 0.000 1.049 552 K CA 1.410 57.735 56.287 0.063 0.000 0.931 552 K CB 0.001 32.514 32.500 0.021 0.000 0.714 552 K HN 0.335 nan 8.250 nan 0.000 0.440 553 K N 0.460 120.841 120.400 -0.032 0.000 2.026 553 K HA -0.119 4.203 4.320 0.003 0.000 0.208 553 K C 2.186 178.735 176.600 -0.085 0.000 1.048 553 K CA 1.576 57.821 56.287 -0.070 0.000 0.929 553 K CB -0.201 32.270 32.500 -0.050 0.000 0.713 553 K HN 0.189 nan 8.250 nan 0.000 0.439 554 I N 0.869 121.408 120.570 -0.050 0.000 2.226 554 I HA -0.326 3.846 4.170 0.003 0.000 0.245 554 I C 2.446 178.520 176.117 -0.071 0.000 1.100 554 I CA 0.882 62.151 61.300 -0.051 0.000 1.374 554 I CB -0.291 37.688 38.000 -0.035 0.000 1.057 554 I HN 0.241 nan 8.210 nan 0.000 0.413 555 C N 0.213 119.488 119.300 -0.043 0.000 2.432 555 C HA -0.117 4.345 4.460 0.003 0.000 0.280 555 C C 2.940 177.833 174.990 -0.162 0.000 1.353 555 C CA 0.830 59.837 59.018 -0.018 0.000 1.766 555 C CB -1.178 26.627 27.740 0.109 0.000 1.924 555 C HN 0.454 nan 8.230 nan 0.000 0.509 556 R N 0.642 120.922 120.500 -0.367 0.000 2.100 556 R HA -0.048 4.294 4.340 0.003 0.000 0.220 556 R C 1.976 177.965 176.300 -0.518 0.000 1.091 556 R CA 1.159 56.718 56.100 -0.901 0.000 0.986 556 R CB -0.087 29.631 30.300 -0.969 0.000 0.888 556 R HN 0.413 nan 8.270 nan 0.000 0.444 557 E N -0.102 119.924 120.200 -0.290 0.000 2.122 557 E HA -0.062 4.290 4.350 0.003 0.000 0.190 557 E C 1.496 178.023 176.600 -0.122 0.000 0.977 557 E CA 0.941 57.236 56.400 -0.174 0.000 0.820 557 E CB 0.162 29.802 29.700 -0.101 0.000 0.770 557 E HN 0.421 nan 8.360 nan 0.000 0.462 558 C N 1.718 120.951 119.300 -0.112 0.000 3.000 558 C HA 0.220 4.682 4.460 0.003 0.000 0.286 558 C C 2.034 176.979 174.990 -0.074 0.000 1.343 558 C CA -0.870 58.115 59.018 -0.056 0.000 1.742 558 C CB -0.719 27.008 27.740 -0.022 0.000 2.200 558 C HN 0.429 nan 8.230 nan 0.000 0.621 559 K N 1.058 121.344 120.400 -0.190 0.000 2.107 559 K HA -0.262 4.060 4.320 0.003 0.000 0.211 559 K C 1.141 177.627 176.600 -0.190 0.000 1.049 559 K CA 2.020 58.169 56.287 -0.229 0.000 0.927 559 K CB -0.659 31.610 32.500 -0.383 0.000 0.714 559 K HN 0.458 nan 8.250 nan 0.000 0.452 560 Y N 1.647 121.954 120.300 0.011 0.000 2.509 560 Y HA -0.055 4.497 4.550 0.003 0.000 0.293 560 Y C 1.105 177.018 175.900 0.023 0.000 1.133 560 Y CA 0.983 59.091 58.100 0.014 0.000 1.283 560 Y CB 0.005 38.462 38.460 -0.005 0.000 1.001 560 Y HN 0.216 nan 8.280 nan 0.000 0.555 561 D N -1.320 119.172 120.400 0.154 0.000 2.398 561 D HA 0.146 4.788 4.640 0.003 0.000 0.210 561 D C 1.255 177.662 176.300 0.179 0.000 1.094 561 D CA 0.359 54.439 54.000 0.133 0.000 0.839 561 D CB 0.170 41.031 40.800 0.101 0.000 0.963 561 D HN 0.295 nan 8.370 nan 0.000 0.506 562 L N 0.498 121.817 121.223 0.160 0.000 2.628 562 L HA 0.174 4.516 4.340 0.003 0.000 0.229 562 L C -1.113 175.882 176.870 0.208 0.000 1.137 562 L CA -0.415 54.573 54.840 0.247 0.000 0.909 562 L CB -0.098 42.035 42.059 0.122 0.000 1.137 562 L HN -0.135 nan 8.230 nan 0.000 0.470 563 P HA -0.078 nan 4.420 nan 0.000 0.217 563 P C -1.300 176.029 177.300 0.050 0.000 1.150 563 P CA 1.223 64.374 63.100 0.085 0.000 0.832 563 P CB -0.761 30.985 31.700 0.077 0.000 0.787 564 P HA -0.132 nan 4.420 nan 0.000 0.217 564 P C 0.903 178.122 177.300 -0.134 0.000 1.150 564 P CA 1.387 64.403 63.100 -0.139 0.000 0.832 564 P CB -0.544 30.968 31.700 -0.314 0.000 0.787 565 Y N -1.278 119.040 120.300 0.031 0.000 2.490 565 Y HA 0.279 4.831 4.550 0.003 0.000 0.281 565 Y C 2.292 178.211 175.900 0.032 0.000 1.174 565 Y CA 0.155 58.274 58.100 0.031 0.000 1.295 565 Y CB -1.080 37.400 38.460 0.032 0.000 1.062 565 Y HN -0.101 nan 8.280 nan 0.000 0.522 566 A N 0.640 123.559 122.820 0.165 0.000 1.978 566 A HA -0.179 4.143 4.320 0.003 0.000 0.220 566 A C 2.440 180.080 177.584 0.093 0.000 1.170 566 A CA 1.807 53.913 52.037 0.114 0.000 0.636 566 A CB -0.905 18.145 19.000 0.083 0.000 0.810 566 A HN 0.430 nan 8.150 nan 0.000 0.448 567 A N 0.176 123.045 122.820 0.082 0.000 1.873 567 A HA -0.193 4.129 4.320 0.003 0.000 0.215 567 A C 2.007 179.634 177.584 0.072 0.000 1.186 567 A CA 2.026 54.102 52.037 0.065 0.000 0.616 567 A CB -0.668 18.361 19.000 0.048 0.000 0.823 567 A HN 0.579 nan 8.150 nan 0.000 0.442 568 N N 0.173 118.929 118.700 0.092 0.000 2.142 568 N HA -0.083 4.659 4.740 0.003 0.000 0.186 568 N C 1.509 177.070 175.510 0.084 0.000 1.023 568 N CA 1.728 54.833 53.050 0.091 0.000 0.852 568 N CB -0.377 38.182 38.487 0.119 0.000 0.998 568 N HN 0.528 nan 8.380 nan 0.000 0.424 569 I N -0.352 120.273 120.570 0.092 0.000 2.142 569 I HA -0.249 3.923 4.170 0.003 0.000 0.240 569 I C 1.929 178.084 176.117 0.064 0.000 1.078 569 I CA 0.912 62.255 61.300 0.072 0.000 1.343 569 I CB -0.480 37.562 38.000 0.069 0.000 1.046 569 I HN -0.011 nan 8.210 nan 0.000 0.405 570 V N 1.243 121.195 119.914 0.063 0.000 2.469 570 V HA -0.292 3.830 4.120 0.003 0.000 0.251 570 V C 2.674 178.800 176.094 0.054 0.000 1.064 570 V CA 1.915 64.249 62.300 0.055 0.000 1.066 570 V CB -1.190 30.664 31.823 0.052 0.000 0.667 570 V HN 0.501 nan 8.190 nan 0.000 0.461 571 A N -0.103 122.750 122.820 0.054 0.000 1.872 571 A HA -0.102 4.220 4.320 0.003 0.000 0.214 571 A C 2.329 179.942 177.584 0.049 0.000 1.187 571 A CA 1.751 53.816 52.037 0.048 0.000 0.614 571 A CB -0.620 18.407 19.000 0.046 0.000 0.826 571 A HN 0.332 nan 8.150 nan 0.000 0.442 572 V N 0.297 120.244 119.914 0.055 0.000 2.626 572 V HA -0.170 3.951 4.120 0.003 0.000 0.252 572 V C 2.621 178.754 176.094 0.065 0.000 1.067 572 V CA 2.116 64.450 62.300 0.058 0.000 1.081 572 V CB -0.556 31.306 31.823 0.064 0.000 0.686 572 V HN 0.541 nan 8.190 nan 0.000 0.468 573 S N -0.675 115.066 115.700 0.068 0.000 2.377 573 S HA -0.162 4.310 4.470 0.003 0.000 0.223 573 S C 1.965 176.616 174.600 0.084 0.000 1.030 573 S CA 1.007 59.256 58.200 0.081 0.000 0.970 573 S CB -0.185 63.057 63.200 0.069 0.000 0.830 573 S HN 0.646 nan 8.310 nan 0.000 0.473 574 Q N 0.785 120.626 119.800 0.068 0.000 2.084 574 Q HA -0.182 4.160 4.340 0.003 0.000 0.202 574 Q C 1.881 177.907 176.000 0.044 0.000 0.978 574 Q CA 1.598 57.438 55.803 0.062 0.000 0.844 574 Q CB -0.256 28.507 28.738 0.042 0.000 0.898 574 Q HN 0.512 nan 8.270 nan 0.000 0.426 575 D N 0.058 120.478 120.400 0.034 0.000 2.084 575 D HA -0.156 4.486 4.640 0.003 0.000 0.194 575 D C 1.830 178.137 176.300 0.013 0.000 0.990 575 D CA 1.074 55.084 54.000 0.016 0.000 0.826 575 D CB -0.018 40.792 40.800 0.017 0.000 0.971 575 D HN -0.030 nan 8.370 nan 0.000 0.453 576 V N 0.320 120.250 119.914 0.028 0.000 2.453 576 V HA -0.235 3.887 4.120 0.003 0.000 0.252 576 V C 2.469 178.575 176.094 0.020 0.000 1.068 576 V CA 1.344 63.648 62.300 0.007 0.000 1.070 576 V CB -0.412 31.454 31.823 0.072 0.000 0.664 576 V HN 0.337 nan 8.190 nan 0.000 0.461 577 L N -1.743 119.533 121.223 0.088 0.000 2.044 577 L HA -0.162 4.180 4.340 0.003 0.000 0.205 577 L C 2.434 179.359 176.870 0.092 0.000 1.075 577 L CA 1.550 56.473 54.840 0.137 0.000 0.747 577 L CB -0.523 41.666 42.059 0.217 0.000 0.903 577 L HN 0.337 nan 8.230 nan 0.000 0.435 578 M N 0.252 119.875 119.600 0.040 0.000 2.267 578 M HA -0.185 4.297 4.480 0.003 0.000 0.263 578 M C 1.589 177.877 176.300 -0.019 0.000 1.063 578 M CA 1.759 57.053 55.300 -0.011 0.000 1.090 578 M CB -0.281 32.294 32.600 -0.042 0.000 1.392 578 M HN -0.012 nan 8.290 nan 0.000 0.422 579 K N -0.430 119.953 120.400 -0.028 0.000 2.437 579 K HA 0.134 4.456 4.320 0.003 0.000 0.198 579 K C -0.106 176.453 176.600 -0.067 0.000 1.024 579 K CA -0.037 56.219 56.287 -0.051 0.000 1.148 579 K CB 0.181 32.642 32.500 -0.066 0.000 0.860 579 K HN 0.238 nan 8.250 nan 0.000 0.515 580 Q N -0.022 119.749 119.800 -0.049 0.000 2.434 580 Q HA -0.193 4.149 4.340 0.003 0.000 0.299 580 Q C 0.516 176.448 176.000 -0.114 0.000 1.286 580 Q CA 0.520 56.286 55.803 -0.062 0.000 0.872 580 Q CB -2.213 26.489 28.738 -0.061 0.000 1.193 580 Q HN 0.478 nan 8.270 nan 0.000 0.466 581 I N -1.266 119.184 120.570 -0.200 0.000 2.876 581 I HA -0.093 4.079 4.170 0.003 0.000 0.264 581 I C 0.554 176.414 176.117 -0.428 0.000 1.204 581 I CA 0.684 61.766 61.300 -0.363 0.000 1.485 581 I CB 0.041 37.718 38.000 -0.538 0.000 1.103 581 I HN 0.341 nan 8.210 nan 0.000 0.446 582 H N 0.935 119.979 119.070 -0.043 0.000 2.524 582 H HA 0.353 4.911 4.556 0.003 0.000 0.353 582 H C -0.292 174.990 175.328 -0.077 0.000 1.136 582 H CA -1.012 54.998 56.048 -0.064 0.000 1.193 582 H CB 1.230 30.957 29.762 -0.057 0.000 1.558 582 H HN -0.129 nan 8.280 nan 0.000 0.515 583 K N 1.470 121.885 120.400 0.025 0.000 2.258 583 K HA 0.021 4.342 4.320 0.003 0.000 0.264 583 K C 0.909 177.472 176.600 -0.062 0.000 1.007 583 K CA -0.064 56.196 56.287 -0.045 0.000 0.941 583 K CB 0.991 33.444 32.500 -0.079 0.000 0.966 583 K HN 0.703 nan 8.250 nan 0.000 0.480 584 T N 2.344 116.882 114.554 -0.027 0.000 2.624 584 T HA -0.302 4.050 4.350 0.003 0.000 0.266 584 T C 2.262 176.897 174.700 -0.107 0.000 1.050 584 T CA 2.533 64.661 62.100 0.047 0.000 1.163 584 T CB -0.425 68.506 68.868 0.104 0.000 0.861 584 T HN 0.861 nan 8.240 nan 0.000 0.443 585 S N 0.678 116.249 115.700 -0.215 0.000 2.370 585 S HA -0.204 4.267 4.470 0.003 0.000 0.226 585 S C 2.015 176.127 174.600 -0.814 0.000 1.033 585 S CA 1.674 59.636 58.200 -0.398 0.000 1.011 585 S CB -0.526 62.450 63.200 -0.374 0.000 0.852 585 S HN 0.436 nan 8.310 nan 0.000 0.457 586 Q N -0.288 119.047 119.800 -0.775 0.000 2.378 586 Q HA 0.141 4.483 4.340 0.003 0.000 0.205 586 Q C 2.067 177.860 176.000 -0.344 0.000 0.954 586 Q CA 0.623 55.946 55.803 -0.801 0.000 0.901 586 Q CB -0.853 27.542 28.738 -0.572 0.000 0.981 586 Q HN 0.759 nan 8.270 nan 0.000 0.483 587 C N -0.154 119.026 119.300 -0.200 0.000 2.457 587 C HA -0.015 4.447 4.460 0.003 0.000 0.278 587 C C 2.218 177.142 174.990 -0.109 0.000 1.309 587 C CA 0.490 59.465 59.018 -0.072 0.000 1.735 587 C CB -0.528 27.239 27.740 0.046 0.000 1.992 587 C HN 0.534 nan 8.230 nan 0.000 0.493 588 M N -0.682 118.833 119.600 -0.142 0.000 2.200 588 M HA -0.075 4.407 4.480 0.003 0.000 0.265 588 M C 1.904 178.267 176.300 0.106 0.000 1.066 588 M CA 1.326 56.582 55.300 -0.072 0.000 1.127 588 M CB -1.188 31.376 32.600 -0.060 0.000 1.379 588 M HN 0.512 nan 8.290 nan 0.000 0.420 589 W N 0.786 122.027 121.300 -0.097 0.000 2.381 589 W HA -0.035 4.627 4.660 0.003 0.000 0.301 589 W C 2.386 178.852 176.519 -0.088 0.000 1.205 589 W CA 0.423 57.720 57.345 -0.080 0.000 1.285 589 W CB -1.524 27.896 29.460 -0.065 0.000 1.133 589 W HN 0.218 nan 8.180 nan 0.000 0.521 590 L N -0.090 121.218 121.223 0.143 0.000 2.083 590 L HA -0.241 4.101 4.340 0.003 0.000 0.209 590 L C 2.305 179.177 176.870 0.004 0.000 1.083 590 L CA 1.274 56.143 54.840 0.047 0.000 0.752 590 L CB -0.346 41.711 42.059 -0.004 0.000 0.899 590 L HN -0.176 nan 8.230 nan 0.000 0.433 591 M N -0.856 118.722 119.600 -0.036 0.000 2.175 591 M HA -0.203 4.279 4.480 0.003 0.000 0.264 591 M C 2.181 178.399 176.300 -0.137 0.000 1.063 591 M CA 1.632 56.870 55.300 -0.104 0.000 1.119 591 M CB -1.123 31.376 32.600 -0.168 0.000 1.377 591 M HN 0.390 nan 8.290 nan 0.000 0.415 592 Q N -0.254 119.474 119.800 -0.120 0.000 2.079 592 Q HA -0.064 4.278 4.340 0.003 0.000 0.200 592 Q C 2.264 178.106 176.000 -0.263 0.000 0.974 592 Q CA 1.598 57.255 55.803 -0.243 0.000 0.840 592 Q CB -0.290 28.343 28.738 -0.175 0.000 0.898 592 Q HN 0.559 nan 8.270 nan 0.000 0.430 593 A N 1.227 124.023 122.820 -0.041 0.000 1.865 593 A HA -0.198 4.123 4.320 0.003 0.000 0.217 593 A C 2.078 179.692 177.584 0.050 0.000 1.191 593 A CA 1.346 53.438 52.037 0.092 0.000 0.623 593 A CB -0.845 18.208 19.000 0.088 0.000 0.826 593 A HN 0.310 nan 8.150 nan 0.000 0.444 594 L N -0.679 120.536 121.223 -0.014 0.000 2.191 594 L HA -0.115 4.227 4.340 0.003 0.000 0.212 594 L C 2.780 179.622 176.870 -0.046 0.000 1.103 594 L CA 0.800 55.632 54.840 -0.014 0.000 0.769 594 L CB -0.830 41.213 42.059 -0.026 0.000 0.908 594 L HN 0.519 nan 8.230 nan 0.000 0.438 595 G N 0.092 108.803 108.800 -0.149 0.000 2.459 595 G HA2 -0.276 3.686 3.960 0.003 0.000 0.217 595 G HA3 -0.276 3.686 3.960 0.003 0.000 0.217 595 G C 1.294 176.131 174.900 -0.106 0.000 1.183 595 G CA 0.573 45.562 45.100 -0.186 0.000 0.776 595 G HN 0.130 nan 8.290 nan 0.000 0.552 596 F N 0.481 120.406 119.950 -0.041 0.000 2.046 596 F HA -0.036 4.493 4.527 0.003 0.000 0.297 596 F C 2.546 178.300 175.800 -0.078 0.000 1.123 596 F CA 0.979 58.937 58.000 -0.070 0.000 1.199 596 F CB -1.289 37.662 39.000 -0.081 0.000 0.972 596 F HN 0.107 nan 8.300 nan 0.000 0.474 597 L N 0.175 121.492 121.223 0.158 0.000 2.021 597 L HA -0.252 4.090 4.340 0.003 0.000 0.215 597 L C 2.136 179.037 176.870 0.051 0.000 1.074 597 L CA 1.859 56.744 54.840 0.075 0.000 0.760 597 L CB -0.814 41.286 42.059 0.069 0.000 0.889 597 L HN 0.145 nan 8.230 nan 0.000 0.433 598 L N -0.867 120.383 121.223 0.046 0.000 2.217 598 L HA -0.107 4.235 4.340 0.003 0.000 0.211 598 L C 2.586 179.485 176.870 0.049 0.000 1.107 598 L CA 1.136 56.002 54.840 0.043 0.000 0.783 598 L CB -0.946 41.133 42.059 0.033 0.000 0.919 598 L HN 0.528 nan 8.230 nan 0.000 0.442 599 S N 0.440 116.171 115.700 0.051 0.000 2.465 599 S HA -0.122 4.350 4.470 0.003 0.000 0.241 599 S C 1.765 176.404 174.600 0.066 0.000 1.000 599 S CA 0.884 59.121 58.200 0.062 0.000 0.964 599 S CB -0.236 63.009 63.200 0.075 0.000 0.763 599 S HN 0.370 nan 8.310 nan 0.000 0.512 600 A N -0.050 122.794 122.820 0.040 0.000 2.308 600 A HA 0.590 4.912 4.320 0.003 0.000 0.217 600 A C 0.279 177.925 177.584 0.102 0.000 1.216 600 A CA -0.315 51.767 52.037 0.075 0.000 0.864 600 A CB -0.096 18.889 19.000 -0.025 0.000 0.902 600 A HN 0.416 nan 8.150 nan 0.000 0.499 601 L N -0.862 120.408 121.223 0.077 0.000 2.352 601 L HA 0.572 4.914 4.340 0.003 0.000 0.269 601 L C 0.905 177.814 176.870 0.065 0.000 1.034 601 L CA -0.119 54.762 54.840 0.069 0.000 0.806 601 L CB 0.560 42.653 42.059 0.057 0.000 1.244 601 L HN 0.402 nan 8.230 nan 0.000 0.447 602 Q N 1.042 120.876 119.800 0.056 0.000 2.386 602 Q HA 0.420 4.762 4.340 0.003 0.000 0.282 602 Q C 1.316 177.344 176.000 0.046 0.000 1.050 602 Q CA 0.711 56.543 55.803 0.049 0.000 0.918 602 Q CB -0.593 28.169 28.738 0.040 0.000 1.266 602 Q HN 0.902 nan 8.270 nan 0.000 0.423 603 V N 1.181 121.121 119.914 0.044 0.000 2.370 603 V HA -0.220 3.902 4.120 0.003 0.000 0.252 603 V C 2.374 178.493 176.094 0.040 0.000 1.068 603 V CA 3.860 66.185 62.300 0.041 0.000 1.061 603 V CB -1.687 30.159 31.823 0.038 0.000 0.656 603 V HN 1.151 nan 8.190 nan 0.000 0.455 604 E N 0.013 120.237 120.200 0.040 0.000 2.077 604 E HA -0.274 4.078 4.350 0.003 0.000 0.193 604 E C 2.030 178.658 176.600 0.047 0.000 0.989 604 E CA 1.332 57.758 56.400 0.043 0.000 0.800 604 E CB -0.494 29.230 29.700 0.039 0.000 0.746 604 E HN 0.829 nan 8.360 nan 0.000 0.452 605 E N -0.034 120.192 120.200 0.044 0.000 2.107 605 E HA 0.002 4.354 4.350 0.003 0.000 0.191 605 E C 2.259 178.885 176.600 0.044 0.000 0.982 605 E CA 0.666 57.093 56.400 0.045 0.000 0.809 605 E CB -0.227 29.499 29.700 0.043 0.000 0.756 605 E HN 0.668 nan 8.360 nan 0.000 0.459 606 I N 0.809 121.403 120.570 0.041 0.000 2.208 606 I HA -0.286 3.886 4.170 0.003 0.000 0.245 606 I C 2.433 178.560 176.117 0.017 0.000 1.097 606 I CA 0.922 62.242 61.300 0.035 0.000 1.363 606 I CB -0.271 37.753 38.000 0.039 0.000 1.051 606 I HN 0.072 nan 8.210 nan 0.000 0.413 607 L N 1.032 122.265 121.223 0.016 0.000 2.046 607 L HA -0.259 4.082 4.340 0.003 0.000 0.208 607 L C 3.129 180.023 176.870 0.040 0.000 1.077 607 L CA 1.997 56.831 54.840 -0.010 0.000 0.747 607 L CB -0.812 41.273 42.059 0.043 0.000 0.896 607 L HN 0.237 nan 8.230 nan 0.000 0.432 608 K N -0.285 120.167 120.400 0.087 0.000 2.097 608 K HA -0.151 4.171 4.320 0.003 0.000 0.205 608 K C 1.704 178.364 176.600 0.100 0.000 1.050 608 K CA 1.748 58.107 56.287 0.119 0.000 0.938 608 K CB -0.852 31.698 32.500 0.083 0.000 0.718 608 K HN 0.417 nan 8.250 nan 0.000 0.442 609 N N 0.227 118.964 118.700 0.061 0.000 2.290 609 N HA 0.051 4.793 4.740 0.003 0.000 0.179 609 N C 1.897 177.430 175.510 0.037 0.000 1.016 609 N CA 0.999 54.080 53.050 0.052 0.000 0.871 609 N CB -0.020 38.492 38.487 0.042 0.000 0.987 609 N HN 0.335 nan 8.380 nan 0.000 0.431 610 L N 0.876 122.096 121.223 -0.005 0.000 2.042 610 L HA -0.194 4.148 4.340 0.003 0.000 0.210 610 L C 2.341 179.197 176.870 -0.024 0.000 1.076 610 L CA 1.187 56.002 54.840 -0.041 0.000 0.749 610 L CB -0.435 41.562 42.059 -0.104 0.000 0.893 610 L HN 0.273 nan 8.230 nan 0.000 0.432 611 H N -1.068 118.037 119.070 0.060 0.000 2.357 611 H HA -0.073 4.485 4.556 0.003 0.000 0.301 611 H C 2.577 177.931 175.328 0.042 0.000 1.082 611 H CA 1.458 57.538 56.048 0.053 0.000 1.342 611 H CB -0.120 29.669 29.762 0.045 0.000 1.389 611 H HN 0.259 nan 8.280 nan 0.000 0.511 612 S N 0.518 116.312 115.700 0.156 0.000 2.383 612 S HA -0.093 4.379 4.470 0.003 0.000 0.229 612 S C 2.440 177.084 174.600 0.072 0.000 1.030 612 S CA 0.748 59.003 58.200 0.091 0.000 1.002 612 S CB -0.182 63.060 63.200 0.069 0.000 0.829 612 S HN 0.247 nan 8.310 nan 0.000 0.467 613 L N 0.456 121.726 121.223 0.079 0.000 2.068 613 L HA 0.080 4.422 4.340 0.003 0.000 0.204 613 L C 2.038 178.994 176.870 0.143 0.000 1.076 613 L CA 1.054 55.948 54.840 0.090 0.000 0.753 613 L CB -0.305 41.786 42.059 0.053 0.000 0.910 613 L HN 0.303 nan 8.230 nan 0.000 0.439 614 I N -0.857 119.789 120.570 0.126 0.000 2.703 614 I HA -0.097 4.075 4.170 0.003 0.000 0.259 614 I C 2.988 179.197 176.117 0.153 0.000 1.151 614 I CA 0.784 62.179 61.300 0.160 0.000 1.470 614 I CB -0.672 37.399 38.000 0.119 0.000 1.112 614 I HN 0.238 nan 8.210 nan 0.000 0.437 615 S N 3.032 118.809 115.700 0.127 0.000 2.368 615 S HA -0.161 4.311 4.470 0.003 0.000 0.226 615 S C 0.380 174.993 174.600 0.022 0.000 1.044 615 S CA 1.953 60.204 58.200 0.085 0.000 1.062 615 S CB -1.965 61.275 63.200 0.067 0.000 0.931 615 S HN 0.277 nan 8.310 nan 0.000 0.440 616 P HA -0.047 nan 4.420 nan 0.000 0.231 616 P C 0.051 177.172 177.300 -0.297 0.000 1.158 616 P CA 0.855 63.840 63.100 -0.192 0.000 0.763 616 P CB -0.102 31.427 31.700 -0.285 0.000 0.805 617 Y N -0.656 119.656 120.300 0.020 0.000 2.581 617 Y HA 0.178 4.730 4.550 0.003 0.000 0.271 617 Y C 2.910 178.820 175.900 0.016 0.000 1.100 617 Y CA 0.324 58.433 58.100 0.015 0.000 1.281 617 Y CB -1.192 37.271 38.460 0.005 0.000 1.237 617 Y HN -0.226 nan 8.280 nan 0.000 0.514 618 I N 0.255 120.924 120.570 0.164 0.000 2.335 618 I HA -0.252 3.920 4.170 0.003 0.000 0.251 618 I C 2.183 178.346 176.117 0.078 0.000 1.129 618 I CA 2.758 64.125 61.300 0.110 0.000 1.402 618 I CB -1.702 36.359 38.000 0.102 0.000 1.069 618 I HN 0.398 nan 8.210 nan 0.000 0.424 619 Q N -0.316 119.517 119.800 0.056 0.000 2.016 619 Q HA -0.291 4.051 4.340 0.003 0.000 0.200 619 Q C 2.129 178.154 176.000 0.041 0.000 0.978 619 Q CA 1.631 57.453 55.803 0.032 0.000 0.833 619 Q CB -1.011 27.729 28.738 0.002 0.000 0.895 619 Q HN 0.890 nan 8.270 nan 0.000 0.427 620 Q N -0.366 119.466 119.800 0.053 0.000 2.170 620 Q HA -0.071 4.271 4.340 0.003 0.000 0.203 620 Q C 2.250 178.296 176.000 0.077 0.000 0.976 620 Q CA 1.353 57.198 55.803 0.070 0.000 0.858 620 Q CB -0.211 28.598 28.738 0.118 0.000 0.907 620 Q HN 0.581 nan 8.270 nan 0.000 0.433 621 L N 1.116 122.390 121.223 0.086 0.000 2.027 621 L HA -0.177 4.165 4.340 0.003 0.000 0.206 621 L C 1.980 178.880 176.870 0.050 0.000 1.074 621 L CA 1.747 56.621 54.840 0.056 0.000 0.745 621 L CB -0.159 41.929 42.059 0.049 0.000 0.898 621 L HN 0.119 nan 8.230 nan 0.000 0.433 622 E N -0.532 119.699 120.200 0.052 0.000 2.058 622 E HA -0.232 4.120 4.350 0.003 0.000 0.194 622 E C 2.108 178.738 176.600 0.049 0.000 0.997 622 E CA 1.158 57.587 56.400 0.047 0.000 0.801 622 E CB -0.136 29.588 29.700 0.041 0.000 0.746 622 E HN 0.358 nan 8.360 nan 0.000 0.450 623 K N 0.308 120.735 120.400 0.045 0.000 2.074 623 K HA -0.182 4.140 4.320 0.003 0.000 0.209 623 K C 2.417 179.053 176.600 0.060 0.000 1.048 623 K CA 1.382 57.696 56.287 0.044 0.000 0.926 623 K CB -0.855 31.666 32.500 0.036 0.000 0.713 623 K HN 0.208 nan 8.250 nan 0.000 0.444 624 L N 0.369 121.632 121.223 0.067 0.000 2.093 624 L HA 0.100 4.442 4.340 0.003 0.000 0.208 624 L C 2.663 179.616 176.870 0.138 0.000 1.085 624 L CA 2.259 57.154 54.840 0.092 0.000 0.755 624 L CB -1.767 40.328 42.059 0.060 0.000 0.904 624 L HN 0.288 nan 8.230 nan 0.000 0.435 625 A N -0.077 122.811 122.820 0.113 0.000 1.898 625 A HA 0.009 4.331 4.320 0.003 0.000 0.216 625 A C 2.347 180.012 177.584 0.135 0.000 1.181 625 A CA 2.047 54.172 52.037 0.147 0.000 0.620 625 A CB -0.901 18.154 19.000 0.093 0.000 0.819 625 A HN 1.018 nan 8.150 nan 0.000 0.442 626 E N 0.657 120.910 120.200 0.089 0.000 2.478 626 E HA 0.024 4.376 4.350 0.003 0.000 0.198 626 E C 0.708 177.346 176.600 0.063 0.000 1.046 626 E CA 0.632 57.070 56.400 0.063 0.000 0.870 626 E CB -0.529 29.197 29.700 0.043 0.000 0.818 626 E HN 0.834 nan 8.360 nan 0.000 0.527 627 E N -1.397 118.857 120.200 0.090 0.000 2.374 627 E HA 0.515 4.867 4.350 0.003 0.000 0.260 627 E C 0.222 176.866 176.600 0.074 0.000 1.101 627 E CA 0.117 56.567 56.400 0.083 0.000 0.907 627 E CB 1.414 31.178 29.700 0.107 0.000 1.014 627 E HN 0.495 nan 8.360 nan 0.000 0.427 628 I N 1.920 122.509 120.570 0.032 0.000 2.416 628 I HA 0.180 4.352 4.170 0.003 0.000 0.288 628 I C -2.028 174.066 176.117 -0.039 0.000 1.051 628 I CA -2.327 58.955 61.300 -0.030 0.000 1.375 628 I CB -0.411 37.566 38.000 -0.038 0.000 1.407 628 I HN 0.316 nan 8.210 nan 0.000 0.516 629 P HA 0.071 nan 4.420 nan 0.000 0.259 629 P C -0.807 176.426 177.300 -0.113 0.000 1.163 629 P CA 0.514 63.383 63.100 -0.386 0.000 0.760 629 P CB 0.298 31.391 31.700 -1.011 0.000 0.762 630 N N 3.917 122.687 118.700 0.117 0.000 2.525 630 N HA 0.260 5.002 4.740 0.003 0.000 0.270 630 N C -1.856 173.767 175.510 0.188 0.000 1.321 630 N CA -1.787 51.328 53.050 0.108 0.000 0.797 630 N CB 1.323 39.866 38.487 0.093 0.000 1.529 630 N HN 0.117 nan 8.380 nan 0.000 0.491 631 P HA -0.070 nan 4.420 nan 0.000 0.215 631 P C 0.766 178.128 177.300 0.104 0.000 1.153 631 P CA 1.492 64.659 63.100 0.112 0.000 0.853 631 P CB 0.393 32.131 31.700 0.064 0.000 0.788 632 S N -0.464 115.285 115.700 0.083 0.000 2.414 632 S HA -0.075 4.397 4.470 0.003 0.000 0.227 632 S C 2.002 176.645 174.600 0.071 0.000 1.022 632 S CA 0.728 58.961 58.200 0.056 0.000 0.958 632 S CB -1.030 62.193 63.200 0.038 0.000 0.797 632 S HN 0.329 nan 8.310 nan 0.000 0.493 633 N N 1.248 120.030 118.700 0.138 0.000 2.188 633 N HA -0.151 4.591 4.740 0.003 0.000 0.184 633 N C 2.038 177.612 175.510 0.106 0.000 1.018 633 N CA 1.286 54.446 53.050 0.183 0.000 0.858 633 N CB -0.215 38.473 38.487 0.334 0.000 0.989 633 N HN 0.462 nan 8.380 nan 0.000 0.426 634 K N 1.371 121.867 120.400 0.160 0.000 2.031 634 K HA -0.015 4.307 4.320 0.003 0.000 0.205 634 K C 1.964 178.484 176.600 -0.132 0.000 1.049 634 K CA 0.713 56.928 56.287 -0.120 0.000 0.939 634 K CB -1.092 31.514 32.500 0.176 0.000 0.717 634 K HN 0.152 nan 8.250 nan 0.000 0.438 635 L N 0.065 121.270 121.223 -0.030 0.000 2.042 635 L HA -0.180 4.162 4.340 0.003 0.000 0.210 635 L C 3.105 179.950 176.870 -0.043 0.000 1.076 635 L CA 1.423 56.243 54.840 -0.032 0.000 0.749 635 L CB -0.528 41.522 42.059 -0.015 0.000 0.893 635 L HN 0.518 nan 8.230 nan 0.000 0.432 636 A N 0.201 122.992 122.820 -0.049 0.000 1.873 636 A HA -0.142 4.180 4.320 0.003 0.000 0.215 636 A C 2.512 180.065 177.584 -0.052 0.000 1.186 636 A CA 1.970 53.984 52.037 -0.038 0.000 0.616 636 A CB -1.093 17.894 19.000 -0.022 0.000 0.823 636 A HN 0.266 nan 8.150 nan 0.000 0.442 637 I N -1.131 119.348 120.570 -0.152 0.000 2.226 637 I HA -0.088 4.084 4.170 0.003 0.000 0.245 637 I C 2.561 178.548 176.117 -0.217 0.000 1.100 637 I CA 2.315 63.472 61.300 -0.239 0.000 1.374 637 I CB -1.520 36.169 38.000 -0.519 0.000 1.057 637 I HN 0.205 nan 8.210 nan 0.000 0.413 638 V N 0.162 119.951 119.914 -0.207 0.000 2.307 638 V HA -0.321 3.800 4.120 0.003 0.000 0.245 638 V C 2.634 178.666 176.094 -0.104 0.000 1.045 638 V CA 2.714 64.921 62.300 -0.155 0.000 1.024 638 V CB -0.975 30.775 31.823 -0.121 0.000 0.651 638 V HN 0.950 nan 8.190 nan 0.000 0.449 639 H N -0.175 118.804 119.070 -0.152 0.000 2.387 639 H HA -0.165 4.393 4.556 0.003 0.000 0.299 639 H C 2.028 177.233 175.328 -0.206 0.000 1.099 639 H CA 2.344 58.299 56.048 -0.154 0.000 1.315 639 H CB -0.157 29.527 29.762 -0.131 0.000 1.380 639 H HN 0.433 nan 8.280 nan 0.000 0.513 640 I N -0.038 120.448 120.570 -0.141 0.000 2.353 640 I HA -0.217 3.955 4.170 0.003 0.000 0.248 640 I C 2.170 178.119 176.117 -0.280 0.000 1.119 640 I CA 0.789 61.933 61.300 -0.261 0.000 1.417 640 I CB -0.170 37.764 38.000 -0.110 0.000 1.078 640 I HN 0.296 nan 8.210 nan 0.000 0.421 641 L N 0.471 121.568 121.223 -0.210 0.000 2.046 641 L HA -0.116 4.225 4.340 0.003 0.000 0.208 641 L C 2.731 179.471 176.870 -0.216 0.000 1.077 641 L CA 1.521 56.249 54.840 -0.187 0.000 0.747 641 L CB -1.205 40.759 42.059 -0.158 0.000 0.896 641 L HN 0.315 nan 8.230 nan 0.000 0.432 642 G N 0.421 109.076 108.800 -0.243 0.000 2.469 642 G HA2 -0.249 3.713 3.960 0.003 0.000 0.219 642 G HA3 -0.249 3.713 3.960 0.003 0.000 0.219 642 G C 1.619 176.340 174.900 -0.299 0.000 1.150 642 G CA 0.752 45.706 45.100 -0.244 0.000 0.763 642 G HN 0.231 nan 8.290 nan 0.000 0.561 643 L N -0.132 120.841 121.223 -0.417 0.000 2.013 643 L HA -0.119 4.222 4.340 0.003 0.000 0.212 643 L C 2.983 179.629 176.870 -0.373 0.000 1.073 643 L CA 0.892 55.481 54.840 -0.420 0.000 0.753 643 L CB -0.564 41.173 42.059 -0.537 0.000 0.890 643 L HN 0.202 nan 8.230 nan 0.000 0.432 644 L N -0.319 120.689 121.223 -0.358 0.000 1.989 644 L HA -0.225 4.116 4.340 0.003 0.000 0.211 644 L C 2.945 179.568 176.870 -0.412 0.000 1.071 644 L CA 1.793 56.373 54.840 -0.433 0.000 0.749 644 L CB -0.790 41.136 42.059 -0.221 0.000 0.890 644 L HN 0.429 nan 8.230 nan 0.000 0.431 645 S N -0.637 114.953 115.700 -0.184 0.000 2.382 645 S HA -0.172 4.300 4.470 0.003 0.000 0.228 645 S C 1.739 176.273 174.600 -0.110 0.000 1.027 645 S CA 1.277 59.438 58.200 -0.064 0.000 0.991 645 S CB -0.536 62.629 63.200 -0.059 0.000 0.823 645 S HN 0.425 nan 8.310 nan 0.000 0.469 646 N N 1.156 119.748 118.700 -0.180 0.000 2.331 646 N HA 0.040 4.782 4.740 0.003 0.000 0.180 646 N C 1.639 177.013 175.510 -0.226 0.000 1.019 646 N CA 1.050 54.001 53.050 -0.166 0.000 0.881 646 N CB -0.344 38.053 38.487 -0.150 0.000 0.972 646 N HN 0.404 nan 8.380 nan 0.000 0.435 647 L N 0.147 121.160 121.223 -0.350 0.000 2.044 647 L HA 0.026 4.368 4.340 0.003 0.000 0.205 647 L C 1.420 178.093 176.870 -0.328 0.000 1.075 647 L CA 1.490 56.079 54.840 -0.418 0.000 0.747 647 L CB -0.548 41.130 42.059 -0.634 0.000 0.903 647 L HN -0.099 nan 8.230 nan 0.000 0.435 648 F N -0.500 119.387 119.950 -0.105 0.000 2.699 648 F HA 0.000 4.529 4.527 0.003 0.000 0.298 648 F C 2.276 178.019 175.800 -0.094 0.000 1.154 648 F CA 0.905 58.855 58.000 -0.082 0.000 1.457 648 F CB -1.594 37.372 39.000 -0.056 0.000 1.106 648 F HN 0.069 nan 8.300 nan 0.000 0.585 649 T N -1.154 113.406 114.554 0.009 0.000 2.851 649 T HA -0.114 4.238 4.350 0.003 0.000 0.262 649 T C 2.128 176.761 174.700 -0.111 0.000 1.043 649 T CA 1.959 64.034 62.100 -0.042 0.000 1.140 649 T CB -0.403 68.416 68.868 -0.080 0.000 0.872 649 T HN 0.357 nan 8.240 nan 0.000 0.446 650 T N 0.014 114.419 114.554 -0.249 0.000 3.065 650 T HA 0.225 4.576 4.350 0.003 0.000 0.252 650 T C 0.837 175.392 174.700 -0.240 0.000 1.099 650 T CA -0.139 61.684 62.100 -0.463 0.000 1.063 650 T CB -0.246 67.956 68.868 -1.110 0.000 0.948 650 T HN 0.129 nan 8.240 nan 0.000 0.506 651 L N 4.415 125.583 121.223 -0.091 0.000 2.423 651 L HA 0.330 4.672 4.340 0.003 0.000 0.249 651 L C -0.906 176.004 176.870 0.066 0.000 1.276 651 L CA -0.821 54.028 54.840 0.016 0.000 1.199 651 L CB -0.617 41.492 42.059 0.084 0.000 1.407 651 L HN 0.178 nan 8.230 nan 0.000 0.410 652 D N 1.870 122.306 120.400 0.059 0.000 2.443 652 D HA 0.123 4.765 4.640 0.003 0.000 0.221 652 D C 1.177 177.522 176.300 0.076 0.000 1.097 652 D CA -0.411 53.628 54.000 0.066 0.000 0.865 652 D CB 0.532 41.370 40.800 0.063 0.000 1.034 652 D HN 0.411 nan 8.370 nan 0.000 0.511 653 I N 1.423 122.036 120.570 0.071 0.000 2.315 653 I HA -0.234 3.938 4.170 0.003 0.000 0.248 653 I C 2.745 178.906 176.117 0.073 0.000 1.117 653 I CA 1.463 62.807 61.300 0.073 0.000 1.404 653 I CB -0.330 37.708 38.000 0.062 0.000 1.071 653 I HN 0.513 nan 8.210 nan 0.000 0.419 654 S N -0.457 115.280 115.700 0.062 0.000 2.368 654 S HA -0.097 4.375 4.470 0.003 0.000 0.225 654 S C 1.154 175.791 174.600 0.062 0.000 1.030 654 S CA 1.882 60.116 58.200 0.056 0.000 0.999 654 S CB -0.833 62.395 63.200 0.047 0.000 0.844 654 S HN 0.631 nan 8.310 nan 0.000 0.459 675 N N 1.064 119.772 118.700 0.015 0.000 2.642 675 N HA -0.128 4.614 4.740 0.003 0.000 0.269 675 N C -0.786 174.724 175.510 -0.001 0.000 1.073 675 N CA 1.118 54.172 53.050 0.007 0.000 0.748 675 N CB -2.124 36.360 38.487 -0.005 0.000 0.894 675 N HN 0.440 nan 8.380 nan 0.000 0.548 676 P HA -0.200 nan 4.420 nan 0.000 0.216 676 P C 1.503 178.795 177.300 -0.013 0.000 1.153 676 P CA 1.576 64.675 63.100 -0.002 0.000 0.858 676 P CB 0.004 31.708 31.700 0.006 0.000 0.789 677 V N 0.139 120.040 119.914 -0.022 0.000 2.407 677 V HA -0.188 3.934 4.120 0.003 0.000 0.248 677 V C 2.899 178.908 176.094 -0.142 0.000 1.055 677 V CA 1.668 63.894 62.300 -0.123 0.000 1.049 677 V CB -1.190 30.509 31.823 -0.205 0.000 0.662 677 V HN -0.041 nan 8.190 nan 0.000 0.455 678 V N -0.032 119.834 119.914 -0.081 0.000 2.358 678 V HA -0.201 3.921 4.120 0.003 0.000 0.246 678 V C 2.405 178.462 176.094 -0.062 0.000 1.047 678 V CA 1.938 64.185 62.300 -0.089 0.000 1.035 678 V CB -0.408 31.365 31.823 -0.083 0.000 0.658 678 V HN 0.445 nan 8.190 nan 0.000 0.452 679 V N -0.276 119.623 119.914 -0.025 0.000 2.307 679 V HA -0.202 3.920 4.120 0.003 0.000 0.245 679 V C 2.423 178.544 176.094 0.044 0.000 1.045 679 V CA 1.812 64.121 62.300 0.015 0.000 1.024 679 V CB -0.768 31.079 31.823 0.039 0.000 0.651 679 V HN 0.398 nan 8.190 nan 0.000 0.449 680 V N 0.025 119.959 119.914 0.033 0.000 2.392 680 V HA -0.275 3.847 4.120 0.003 0.000 0.249 680 V C 2.375 178.528 176.094 0.098 0.000 1.059 680 V CA 1.952 64.300 62.300 0.080 0.000 1.051 680 V CB -0.693 31.199 31.823 0.115 0.000 0.658 680 V HN 0.436 nan 8.190 nan 0.000 0.455 681 L N -0.241 121.002 121.223 0.033 0.000 2.027 681 L HA -0.235 4.107 4.340 0.003 0.000 0.206 681 L C 3.146 180.099 176.870 0.138 0.000 1.074 681 L CA 2.133 57.016 54.840 0.071 0.000 0.745 681 L CB -1.082 40.985 42.059 0.014 0.000 0.898 681 L HN 0.480 nan 8.230 nan 0.000 0.433 682 Q N -0.021 119.818 119.800 0.064 0.000 2.124 682 Q HA -0.281 4.061 4.340 0.003 0.000 0.202 682 Q C 1.985 178.092 176.000 0.179 0.000 0.977 682 Q CA 2.024 57.880 55.803 0.088 0.000 0.850 682 Q CB -0.841 27.906 28.738 0.015 0.000 0.901 682 Q HN 0.641 nan 8.270 nan 0.000 0.429 683 Q N -0.673 119.216 119.800 0.147 0.000 2.083 683 Q HA -0.011 4.330 4.340 0.003 0.000 0.198 683 Q C 2.238 178.335 176.000 0.162 0.000 0.969 683 Q CA 1.362 57.254 55.803 0.148 0.000 0.838 683 Q CB 0.073 28.901 28.738 0.149 0.000 0.900 683 Q HN 0.507 nan 8.270 nan 0.000 0.436 684 V N 0.422 120.444 119.914 0.182 0.000 2.719 684 V HA -0.172 3.950 4.120 0.003 0.000 0.252 684 V C 1.777 177.994 176.094 0.205 0.000 1.065 684 V CA 1.011 63.412 62.300 0.168 0.000 1.086 684 V CB -0.455 31.463 31.823 0.158 0.000 0.700 684 V HN 0.309 nan 8.190 nan 0.000 0.467 685 F N 2.224 122.240 119.950 0.111 0.000 2.120 685 F HA -0.300 4.229 4.527 0.003 0.000 0.300 685 F C 2.479 178.344 175.800 0.109 0.000 1.095 685 F CA 2.420 60.510 58.000 0.151 0.000 1.249 685 F CB -0.809 38.285 39.000 0.156 0.000 0.995 685 F HN 0.256 nan 8.300 nan 0.000 0.480 686 Q N 0.469 120.298 119.800 0.050 0.000 2.096 686 Q HA -0.094 4.248 4.340 0.003 0.000 0.204 686 Q C 2.494 178.450 176.000 -0.073 0.000 0.982 686 Q CA 2.927 58.693 55.803 -0.062 0.000 0.850 686 Q CB -1.806 26.955 28.738 0.038 0.000 0.901 686 Q HN 0.685 nan 8.270 nan 0.000 0.422 687 L N -0.132 121.088 121.223 -0.006 0.000 2.131 687 L HA 0.319 4.660 4.340 0.003 0.000 0.206 687 L C 3.155 180.016 176.870 -0.015 0.000 1.087 687 L CA 2.311 57.153 54.840 0.003 0.000 0.767 687 L CB -1.957 40.123 42.059 0.035 0.000 0.917 687 L HN 0.897 nan 8.230 nan 0.000 0.441 688 I N -0.764 119.796 120.570 -0.017 0.000 2.091 688 I HA -0.402 3.770 4.170 0.003 0.000 0.239 688 I C 2.439 178.530 176.117 -0.044 0.000 1.061 688 I CA 2.772 64.068 61.300 -0.006 0.000 1.317 688 I CB -1.483 36.565 38.000 0.080 0.000 1.031 688 I HN 0.654 nan 8.210 nan 0.000 0.401 689 Q N 0.660 120.354 119.800 -0.177 0.000 2.112 689 Q HA -0.297 4.045 4.340 0.003 0.000 0.206 689 Q C 2.569 178.539 176.000 -0.051 0.000 0.987 689 Q CA 2.704 58.408 55.803 -0.165 0.000 0.858 689 Q CB -0.599 27.951 28.738 -0.314 0.000 0.905 689 Q HN 0.873 nan 8.270 nan 0.000 0.420 690 K N 0.653 121.031 120.400 -0.038 0.000 2.032 690 K HA -0.145 4.177 4.320 0.003 0.000 0.209 690 K C 2.071 178.719 176.600 0.081 0.000 1.048 690 K CA 1.841 58.138 56.287 0.017 0.000 0.927 690 K CB -1.331 31.181 32.500 0.020 0.000 0.712 690 K HN 0.138 nan 8.250 nan 0.000 0.441 691 V N 0.742 120.709 119.914 0.089 0.000 2.407 691 V HA -0.192 3.930 4.120 0.003 0.000 0.248 691 V C 2.534 178.784 176.094 0.261 0.000 1.055 691 V CA 1.526 63.931 62.300 0.175 0.000 1.049 691 V CB -0.484 31.352 31.823 0.021 0.000 0.662 691 V HN 0.433 nan 8.190 nan 0.000 0.455 692 L N 0.232 121.542 121.223 0.145 0.000 2.187 692 L HA -0.136 4.206 4.340 0.003 0.000 0.213 692 L C 2.589 179.541 176.870 0.138 0.000 1.100 692 L CA 1.778 56.707 54.840 0.149 0.000 0.765 692 L CB -0.867 41.249 42.059 0.095 0.000 0.904 692 L HN 0.262 nan 8.230 nan 0.000 0.437 693 S N -0.564 115.198 115.700 0.103 0.000 2.368 693 S HA -0.221 4.251 4.470 0.003 0.000 0.225 693 S C 2.218 176.837 174.600 0.032 0.000 1.030 693 S CA 1.761 59.995 58.200 0.056 0.000 0.999 693 S CB -0.342 62.878 63.200 0.034 0.000 0.844 693 S HN 0.599 nan 8.310 nan 0.000 0.459 694 K N -0.357 120.071 120.400 0.047 0.000 2.379 694 K HA 0.146 4.468 4.320 0.003 0.000 0.194 694 K C 0.791 177.186 176.600 -0.340 0.000 1.031 694 K CA 0.225 56.410 56.287 -0.170 0.000 1.037 694 K CB -0.553 31.789 32.500 -0.263 0.000 0.824 694 K HN 0.679 nan 8.250 nan 0.000 0.516 695 W N -1.026 120.276 121.300 0.004 0.000 2.467 695 W HA 0.349 5.011 4.660 0.003 0.000 0.369 695 W C 0.860 177.385 176.519 0.010 0.000 0.938 695 W CA -0.825 56.524 57.345 0.007 0.000 1.845 695 W CB 0.023 29.489 29.460 0.010 0.000 1.167 695 W HN 0.115 nan 8.180 nan 0.000 0.558 696 L N 1.441 122.764 121.223 0.165 0.000 2.450 696 L HA -0.105 4.237 4.340 0.003 0.000 0.224 696 L C 0.750 177.672 176.870 0.087 0.000 1.149 696 L CA 1.848 56.758 54.840 0.116 0.000 0.816 696 L CB -0.448 41.654 42.059 0.072 0.000 0.932 696 L HN -0.028 nan 8.230 nan 0.000 0.449 697 N N -1.432 117.314 118.700 0.076 0.000 2.235 697 N HA 0.060 4.802 4.740 0.003 0.000 0.209 697 N C -0.430 175.127 175.510 0.079 0.000 1.122 697 N CA -0.047 53.032 53.050 0.048 0.000 0.845 697 N CB 0.135 38.625 38.487 0.005 0.000 1.004 697 N HN 0.176 nan 8.380 nan 0.000 0.499 698 D N 0.159 120.650 120.400 0.152 0.000 2.233 698 D HA 0.330 4.972 4.640 0.003 0.000 0.240 698 D C 0.686 177.060 176.300 0.124 0.000 1.074 698 D CA -0.311 53.796 54.000 0.179 0.000 0.838 698 D CB 1.681 42.694 40.800 0.356 0.000 1.124 698 D HN 0.126 nan 8.370 nan 0.000 0.475 699 A N 4.316 127.188 122.820 0.087 0.000 1.873 699 A HA -0.186 4.136 4.320 0.003 0.000 0.215 699 A C 1.865 179.483 177.584 0.057 0.000 1.186 699 A CA 1.141 53.214 52.037 0.060 0.000 0.616 699 A CB -0.262 18.765 19.000 0.046 0.000 0.823 699 A HN 0.605 nan 8.150 nan 0.000 0.442 700 Q N -0.229 119.607 119.800 0.060 0.000 2.084 700 Q HA -0.108 4.234 4.340 0.003 0.000 0.202 700 Q C 2.307 178.314 176.000 0.012 0.000 0.978 700 Q CA 1.726 57.550 55.803 0.035 0.000 0.844 700 Q CB -0.783 27.976 28.738 0.035 0.000 0.898 700 Q HN 0.500 nan 8.270 nan 0.000 0.426 701 V N 0.776 120.705 119.914 0.024 0.000 2.407 701 V HA -0.127 3.995 4.120 0.003 0.000 0.245 701 V C 2.611 178.714 176.094 0.015 0.000 1.041 701 V CA 1.449 63.730 62.300 -0.031 0.000 1.040 701 V CB -1.094 30.690 31.823 -0.065 0.000 0.671 701 V HN 0.284 nan 8.190 nan 0.000 0.455 702 V N -0.627 119.329 119.914 0.070 0.000 2.688 702 V HA -0.237 3.885 4.120 0.003 0.000 0.256 702 V C 2.180 178.318 176.094 0.073 0.000 1.084 702 V CA 2.745 65.095 62.300 0.084 0.000 1.103 702 V CB -0.372 31.506 31.823 0.092 0.000 0.688 702 V HN 0.535 nan 8.190 nan 0.000 0.480 703 E N -0.576 119.654 120.200 0.050 0.000 2.276 703 E HA 0.200 4.552 4.350 0.003 0.000 0.193 703 E C 2.311 178.926 176.600 0.025 0.000 0.983 703 E CA 0.821 57.250 56.400 0.047 0.000 0.861 703 E CB 0.121 29.845 29.700 0.040 0.000 0.817 703 E HN 0.706 nan 8.360 nan 0.000 0.485 704 A N 0.516 123.333 122.820 -0.005 0.000 1.933 704 A HA -0.121 4.201 4.320 0.003 0.000 0.218 704 A C 2.268 179.826 177.584 -0.043 0.000 1.175 704 A CA 1.004 53.017 52.037 -0.040 0.000 0.628 704 A CB -0.387 18.567 19.000 -0.078 0.000 0.814 704 A HN 0.151 nan 8.150 nan 0.000 0.444 705 V N -1.358 118.546 119.914 -0.016 0.000 2.453 705 V HA -0.247 3.875 4.120 0.003 0.000 0.247 705 V C 2.613 178.742 176.094 0.057 0.000 1.048 705 V CA 1.684 63.980 62.300 -0.006 0.000 1.049 705 V CB -1.001 30.861 31.823 0.065 0.000 0.672 705 V HN 0.778 nan 8.190 nan 0.000 0.457 706 C N 0.568 119.936 119.300 0.114 0.000 2.429 706 C HA -0.112 4.350 4.460 0.003 0.000 0.277 706 C C 3.100 178.160 174.990 0.118 0.000 1.262 706 C CA 0.943 60.062 59.018 0.169 0.000 1.733 706 C CB -1.167 26.648 27.740 0.125 0.000 2.010 706 C HN 0.582 nan 8.230 nan 0.000 0.483 707 A N 0.151 122.999 122.820 0.046 0.000 1.933 707 A HA -0.091 4.231 4.320 0.003 0.000 0.218 707 A C 2.070 179.654 177.584 -0.001 0.000 1.175 707 A CA 1.874 53.921 52.037 0.018 0.000 0.628 707 A CB -0.701 18.294 19.000 -0.007 0.000 0.814 707 A HN 0.677 nan 8.150 nan 0.000 0.444 708 I N -1.867 118.665 120.570 -0.062 0.000 2.361 708 I HA -0.228 3.944 4.170 0.003 0.000 0.251 708 I C 1.963 178.004 176.117 -0.125 0.000 1.133 708 I CA 1.222 62.452 61.300 -0.118 0.000 1.413 708 I CB -0.261 37.575 38.000 -0.275 0.000 1.073 708 I HN 0.288 nan 8.210 nan 0.000 0.424 709 F N 0.587 120.572 119.950 0.059 0.000 2.416 709 F HA -0.058 4.471 4.527 0.003 0.000 0.296 709 F C 2.491 178.222 175.800 -0.115 0.000 1.099 709 F CA 0.752 58.752 58.000 -0.001 0.000 1.427 709 F CB -0.557 38.475 39.000 0.054 0.000 1.079 709 F HN 0.098 nan 8.300 nan 0.000 0.536 710 E N 0.823 121.085 120.200 0.103 0.000 2.017 710 E HA -0.209 4.143 4.350 0.003 0.000 0.193 710 E C 1.851 178.436 176.600 -0.025 0.000 0.997 710 E CA 1.323 57.731 56.400 0.014 0.000 0.804 710 E CB 0.062 29.776 29.700 0.024 0.000 0.757 710 E HN 0.099 nan 8.360 nan 0.000 0.448 711 K N 0.526 120.930 120.400 0.006 0.000 2.211 711 K HA -0.007 4.315 4.320 0.003 0.000 0.203 711 K C 2.283 178.891 176.600 0.012 0.000 1.050 711 K CA 0.810 57.106 56.287 0.015 0.000 0.945 711 K CB -0.201 32.328 32.500 0.049 0.000 0.732 711 K HN 0.063 nan 8.250 nan 0.000 0.451 712 S N 0.901 116.594 115.700 -0.012 0.000 2.345 712 S HA -0.063 4.409 4.470 0.003 0.000 0.219 712 S C 2.161 176.660 174.600 -0.169 0.000 1.031 712 S CA 0.802 58.956 58.200 -0.078 0.000 0.984 712 S CB -0.206 62.981 63.200 -0.021 0.000 0.874 712 S HN -0.013 nan 8.310 nan 0.000 0.451 713 V N 2.239 121.934 119.914 -0.365 0.000 2.469 713 V HA -0.178 3.944 4.120 0.003 0.000 0.251 713 V C 2.105 178.073 176.094 -0.210 0.000 1.064 713 V CA 1.614 63.622 62.300 -0.487 0.000 1.066 713 V CB -0.513 30.976 31.823 -0.558 0.000 0.667 713 V HN 0.433 nan 8.190 nan 0.000 0.461 714 K N -0.985 119.335 120.400 -0.134 0.000 2.288 714 K HA -0.067 4.255 4.320 0.003 0.000 0.201 714 K C 2.046 178.618 176.600 -0.046 0.000 1.048 714 K CA 1.483 57.720 56.287 -0.083 0.000 0.956 714 K CB -0.126 32.338 32.500 -0.060 0.000 0.746 714 K HN 0.443 nan 8.250 nan 0.000 0.461 715 T N 1.120 115.655 114.554 -0.032 0.000 2.983 715 T HA 0.104 4.456 4.350 0.003 0.000 0.250 715 T C 1.805 176.513 174.700 0.013 0.000 1.037 715 T CA 0.466 62.568 62.100 0.003 0.000 1.142 715 T CB 0.112 68.996 68.868 0.026 0.000 0.876 715 T HN 0.029 nan 8.240 nan 0.000 0.455 716 L N 0.204 121.438 121.223 0.018 0.000 2.095 716 L HA 0.164 4.505 4.340 0.003 0.000 0.204 716 L C 1.234 178.152 176.870 0.080 0.000 1.080 716 L CA 0.563 55.451 54.840 0.079 0.000 0.759 716 L CB -0.476 41.704 42.059 0.202 0.000 0.914 716 L HN 0.258 nan 8.230 nan 0.000 0.439 717 L N -1.330 119.911 121.223 0.029 0.000 5.895 717 L HA -0.468 3.874 4.340 0.003 0.000 0.053 717 L C 1.393 178.301 176.870 0.063 0.000 2.741 717 L CA 1.413 56.242 54.840 -0.019 0.000 1.500 717 L CB -1.269 40.777 42.059 -0.022 0.000 2.928 717 L HN 0.132 nan 8.230 nan 0.000 1.023 718 D N -0.030 120.397 120.400 0.045 0.000 2.178 718 D HA -0.091 4.551 4.640 0.003 0.000 0.202 718 D C 1.461 177.901 176.300 0.233 0.000 0.974 718 D CA 1.609 55.701 54.000 0.152 0.000 0.841 718 D CB -0.360 40.508 40.800 0.114 0.000 0.953 718 D HN 0.478 nan 8.370 nan 0.000 0.478 719 D N -0.513 119.981 120.400 0.158 0.000 2.350 719 D HA -0.114 4.528 4.640 0.003 0.000 0.216 719 D C 1.421 177.794 176.300 0.122 0.000 0.968 719 D CA 0.108 54.173 54.000 0.108 0.000 0.894 719 D CB -0.418 40.428 40.800 0.077 0.000 0.909 719 D HN 0.240 nan 8.370 nan 0.000 0.520 720 F N 1.361 121.351 119.950 0.067 0.000 2.604 720 F HA 0.089 4.618 4.527 0.003 0.000 0.298 720 F C 2.086 177.859 175.800 -0.045 0.000 1.131 720 F CA 0.259 58.285 58.000 0.043 0.000 1.457 720 F CB 0.048 39.118 39.000 0.118 0.000 1.095 720 F HN -0.058 nan 8.300 nan 0.000 0.574 721 A N 1.255 124.051 122.820 -0.040 0.000 2.001 721 A HA -0.276 4.046 4.320 0.003 0.000 0.224 721 A C -0.203 177.102 177.584 -0.465 0.000 1.203 721 A CA 2.395 54.136 52.037 -0.493 0.000 0.667 721 A CB -2.152 16.413 19.000 -0.726 0.000 0.823 721 A HN 0.375 nan 8.150 nan 0.000 0.473 722 P HA -0.163 nan 4.420 nan 0.000 0.215 722 P C 1.566 178.593 177.300 -0.454 0.000 1.157 722 P CA 1.401 64.306 63.100 -0.325 0.000 0.868 722 P CB -0.126 31.412 31.700 -0.270 0.000 0.788 723 M N -1.562 117.593 119.600 -0.741 0.000 2.476 723 M HA -0.051 4.431 4.480 0.003 0.000 0.262 723 M C 1.885 177.786 176.300 -0.665 0.000 1.079 723 M CA 0.920 55.684 55.300 -0.893 0.000 1.104 723 M CB -1.491 30.205 32.600 -1.506 0.000 1.409 723 M HN -0.168 nan 8.290 nan 0.000 0.467 724 V N 1.710 121.317 119.914 -0.512 0.000 2.220 724 V HA -0.255 3.867 4.120 0.003 0.000 0.250 724 V C -0.228 175.714 176.094 -0.253 0.000 1.056 724 V CA 2.413 64.541 62.300 -0.286 0.000 1.016 724 V CB -2.414 29.148 31.823 -0.434 0.000 0.639 724 V HN 0.214 nan 8.190 nan 0.000 0.446 725 P HA -0.221 nan 4.420 nan 0.000 0.215 725 P C 1.855 179.050 177.300 -0.175 0.000 1.163 725 P CA 1.788 64.778 63.100 -0.183 0.000 0.894 725 P CB -0.152 31.451 31.700 -0.161 0.000 0.791 726 Q N -1.408 118.225 119.800 -0.279 0.000 2.079 726 Q HA -0.134 4.208 4.340 0.003 0.000 0.200 726 Q C 2.170 178.046 176.000 -0.206 0.000 0.974 726 Q CA 0.903 56.538 55.803 -0.281 0.000 0.840 726 Q CB -0.808 27.402 28.738 -0.880 0.000 0.898 726 Q HN 0.159 nan 8.270 nan 0.000 0.430 727 L N 0.461 121.467 121.223 -0.361 0.000 2.056 727 L HA -0.145 4.197 4.340 0.003 0.000 0.207 727 L C 2.132 178.916 176.870 -0.143 0.000 1.078 727 L CA 1.668 56.306 54.840 -0.337 0.000 0.749 727 L CB -0.656 41.173 42.059 -0.384 0.000 0.901 727 L HN 0.257 nan 8.230 nan 0.000 0.433 728 C N -0.207 119.029 119.300 -0.108 0.000 2.413 728 C HA -0.139 4.323 4.460 0.003 0.000 0.276 728 C C 2.696 177.674 174.990 -0.019 0.000 1.248 728 C CA 0.994 59.976 59.018 -0.060 0.000 1.742 728 C CB -0.955 26.739 27.740 -0.077 0.000 2.017 728 C HN 0.705 nan 8.230 nan 0.000 0.481 729 E N 0.829 121.027 120.200 -0.004 0.000 2.077 729 E HA -0.201 4.151 4.350 0.003 0.000 0.193 729 E C 2.091 178.732 176.600 0.069 0.000 0.989 729 E CA 1.450 57.872 56.400 0.036 0.000 0.800 729 E CB -0.485 29.250 29.700 0.059 0.000 0.746 729 E HN 0.592 nan 8.360 nan 0.000 0.452 730 M N -0.450 119.212 119.600 0.102 0.000 2.200 730 M HA -0.035 4.447 4.480 0.003 0.000 0.265 730 M C 2.066 178.431 176.300 0.110 0.000 1.066 730 M CA 1.056 56.438 55.300 0.135 0.000 1.127 730 M CB 0.001 32.745 32.600 0.240 0.000 1.379 730 M HN 0.255 nan 8.290 nan 0.000 0.420 731 L N -0.745 120.522 121.223 0.072 0.000 2.056 731 L HA -0.107 4.235 4.340 0.003 0.000 0.207 731 L C 2.436 179.364 176.870 0.097 0.000 1.078 731 L CA 1.353 56.239 54.840 0.078 0.000 0.749 731 L CB -0.902 41.172 42.059 0.025 0.000 0.901 731 L HN 0.411 nan 8.230 nan 0.000 0.433 732 G N -0.562 108.280 108.800 0.070 0.000 2.442 732 G HA2 -0.351 3.611 3.960 0.003 0.000 0.219 732 G HA3 -0.351 3.611 3.960 0.003 0.000 0.219 732 G C 1.849 176.809 174.900 0.101 0.000 1.141 732 G CA 1.139 46.290 45.100 0.085 0.000 0.763 732 G HN 0.416 nan 8.290 nan 0.000 0.554 733 R N 0.176 120.725 120.500 0.083 0.000 2.090 733 R HA 0.307 4.648 4.340 0.003 0.000 0.228 733 R C 2.428 178.774 176.300 0.077 0.000 1.110 733 R CA 1.517 57.657 56.100 0.067 0.000 0.973 733 R CB -0.825 29.511 30.300 0.060 0.000 0.869 733 R HN 0.473 nan 8.270 nan 0.000 0.440 734 M N -1.037 118.628 119.600 0.108 0.000 2.067 734 M HA -0.069 4.412 4.480 0.003 0.000 0.260 734 M C 2.421 178.795 176.300 0.122 0.000 1.069 734 M CA 1.901 57.271 55.300 0.118 0.000 1.117 734 M CB -0.303 32.386 32.600 0.148 0.000 1.334 734 M HN 0.468 nan 8.290 nan 0.000 0.407 735 Y N 0.725 121.032 120.300 0.010 0.000 2.181 735 Y HA -0.224 4.328 4.550 0.003 0.000 0.288 735 Y C 2.639 178.522 175.900 -0.028 0.000 1.146 735 Y CA 1.671 59.762 58.100 -0.015 0.000 1.164 735 Y CB -0.435 38.010 38.460 -0.026 0.000 0.982 735 Y HN 0.166 nan 8.280 nan 0.000 0.515 736 S N -0.903 114.777 115.700 -0.033 0.000 2.348 736 S HA -0.198 4.274 4.470 0.003 0.000 0.221 736 S C 1.979 176.508 174.600 -0.120 0.000 1.033 736 S CA 1.890 60.031 58.200 -0.098 0.000 1.010 736 S CB -0.632 62.557 63.200 -0.018 0.000 0.891 736 S HN 0.562 nan 8.310 nan 0.000 0.442 737 T N 0.896 115.413 114.554 -0.062 0.000 2.674 737 T HA 0.077 4.428 4.350 0.003 0.000 0.265 737 T C 0.838 175.490 174.700 -0.080 0.000 1.039 737 T CA 0.943 63.013 62.100 -0.050 0.000 1.150 737 T CB -0.062 68.802 68.868 -0.008 0.000 0.864 737 T HN 0.339 nan 8.240 nan 0.000 0.427 738 I N 3.048 123.565 120.570 -0.088 0.000 2.542 738 I HA 0.299 4.470 4.170 0.003 0.000 0.278 738 I C -2.714 173.303 176.117 -0.166 0.000 1.069 738 I CA -2.853 58.385 61.300 -0.104 0.000 1.100 738 I CB 2.191 40.174 38.000 -0.028 0.000 1.204 738 I HN -0.060 nan 8.210 nan 0.000 0.470 739 P HA 0.204 nan 4.420 nan 0.000 0.276 739 P C -1.549 175.670 177.300 -0.135 0.000 1.230 739 P CA -0.015 62.776 63.100 -0.516 0.000 0.776 739 P CB 1.096 32.298 31.700 -0.830 0.000 0.888 740 Q N 1.055 120.945 119.800 0.149 0.000 2.340 740 Q HA 0.459 4.801 4.340 0.003 0.000 0.276 740 Q C 0.769 176.875 176.000 0.177 0.000 1.048 740 Q CA -0.820 55.054 55.803 0.118 0.000 0.832 740 Q CB 2.127 30.919 28.738 0.090 0.000 1.373 740 Q HN 0.370 nan 8.270 nan 0.000 0.409 741 A N 1.287 124.173 122.820 0.110 0.000 1.892 741 A HA -0.268 4.054 4.320 0.003 0.000 0.218 741 A C 2.069 179.697 177.584 0.074 0.000 1.188 741 A CA 2.661 54.756 52.037 0.098 0.000 0.631 741 A CB -0.962 18.091 19.000 0.088 0.000 0.822 741 A HN 0.889 nan 8.150 nan 0.000 0.447 742 S N 0.399 116.142 115.700 0.071 0.000 2.389 742 S HA -0.192 4.280 4.470 0.003 0.000 0.231 742 S C 2.040 176.669 174.600 0.050 0.000 1.052 742 S CA 1.970 60.205 58.200 0.058 0.000 1.053 742 S CB -0.915 62.322 63.200 0.062 0.000 0.886 742 S HN 1.149 nan 8.310 nan 0.000 0.456 743 A N 1.797 124.653 122.820 0.059 0.000 1.930 743 A HA 0.192 4.513 4.320 0.003 0.000 0.217 743 A C 2.369 179.895 177.584 -0.096 0.000 1.175 743 A CA 1.377 53.419 52.037 0.007 0.000 0.627 743 A CB -0.770 18.264 19.000 0.057 0.000 0.815 743 A HN 0.554 nan 8.150 nan 0.000 0.443 744 L N -0.468 120.682 121.223 -0.121 0.000 2.056 744 L HA -0.177 4.165 4.340 0.003 0.000 0.207 744 L C 2.084 178.948 176.870 -0.010 0.000 1.078 744 L CA 1.367 56.142 54.840 -0.108 0.000 0.749 744 L CB -0.659 41.377 42.059 -0.039 0.000 0.901 744 L HN 0.285 nan 8.230 nan 0.000 0.433 745 D N 0.084 120.491 120.400 0.013 0.000 2.123 745 D HA -0.193 4.449 4.640 0.003 0.000 0.196 745 D C 2.080 178.388 176.300 0.013 0.000 0.992 745 D CA 1.190 55.203 54.000 0.022 0.000 0.833 745 D CB -0.097 40.717 40.800 0.024 0.000 0.954 745 D HN 0.143 nan 8.370 nan 0.000 0.455 746 L N 0.753 121.981 121.223 0.009 0.000 2.156 746 L HA -0.060 4.282 4.340 0.003 0.000 0.208 746 L C 2.115 178.993 176.870 0.014 0.000 1.095 746 L CA 1.570 56.413 54.840 0.005 0.000 0.770 746 L CB -0.799 41.271 42.059 0.019 0.000 0.914 746 L HN -0.095 nan 8.230 nan 0.000 0.439 747 T N -0.481 114.080 114.554 0.013 0.000 2.821 747 T HA -0.203 4.149 4.350 0.003 0.000 0.267 747 T C 1.969 176.726 174.700 0.095 0.000 1.046 747 T CA 1.602 63.727 62.100 0.042 0.000 1.139 747 T CB -0.201 68.674 68.868 0.013 0.000 0.871 747 T HN 0.373 nan 8.240 nan 0.000 0.454 748 R N 1.066 121.617 120.500 0.085 0.000 2.092 748 R HA -0.101 4.241 4.340 0.003 0.000 0.231 748 R C 2.759 179.115 176.300 0.092 0.000 1.119 748 R CA 1.753 57.917 56.100 0.107 0.000 0.970 748 R CB -0.427 29.924 30.300 0.084 0.000 0.864 748 R HN 0.465 nan 8.270 nan 0.000 0.440 749 Q N 0.982 120.806 119.800 0.041 0.000 2.119 749 Q HA -0.048 4.294 4.340 0.003 0.000 0.201 749 Q C 2.159 178.175 176.000 0.027 0.000 0.972 749 Q CA 1.577 57.377 55.803 -0.006 0.000 0.847 749 Q CB -0.682 28.024 28.738 -0.053 0.000 0.903 749 Q HN 0.515 nan 8.270 nan 0.000 0.433 750 L N -0.061 121.213 121.223 0.084 0.000 2.005 750 L HA -0.155 4.187 4.340 0.003 0.000 0.207 750 L C 2.620 179.640 176.870 0.249 0.000 1.072 750 L CA 1.209 56.167 54.840 0.197 0.000 0.744 750 L CB -0.569 41.624 42.059 0.223 0.000 0.895 750 L HN 0.345 nan 8.230 nan 0.000 0.433 751 V N -0.420 119.633 119.914 0.231 0.000 2.282 751 V HA -0.381 3.741 4.120 0.003 0.000 0.249 751 V C 2.580 178.791 176.094 0.194 0.000 1.057 751 V CA 2.226 64.687 62.300 0.269 0.000 1.032 751 V CB -0.918 31.027 31.823 0.204 0.000 0.645 751 V HN 0.555 nan 8.190 nan 0.000 0.447 752 H N -0.066 119.034 119.070 0.050 0.000 2.321 752 H HA -0.115 4.442 4.556 0.003 0.000 0.300 752 H C 2.282 177.585 175.328 -0.041 0.000 1.087 752 H CA 2.338 58.389 56.048 0.004 0.000 1.319 752 H CB -0.077 29.675 29.762 -0.017 0.000 1.379 752 H HN 0.389 nan 8.280 nan 0.000 0.501 753 I N -0.262 120.353 120.570 0.075 0.000 2.252 753 I HA -0.241 3.931 4.170 0.003 0.000 0.245 753 I C 0.965 176.786 176.117 -0.493 0.000 1.102 753 I CA 1.014 62.149 61.300 -0.276 0.000 1.385 753 I CB -0.168 37.411 38.000 -0.702 0.000 1.064 753 I HN 0.072 nan 8.210 nan 0.000 0.414 754 F N 0.066 120.074 119.950 0.097 0.000 2.772 754 F HA 0.397 4.926 4.527 0.003 0.000 0.302 754 F C 1.713 177.520 175.800 0.012 0.000 1.136 754 F CA -0.236 57.765 58.000 0.003 0.000 1.322 754 F CB -0.497 38.566 39.000 0.105 0.000 0.967 754 F HN -0.136 nan 8.300 nan 0.000 0.513 755 A N 0.124 122.982 122.820 0.064 0.000 1.968 755 A HA -0.144 4.178 4.320 0.003 0.000 0.217 755 A C 2.197 179.683 177.584 -0.163 0.000 1.169 755 A CA 1.712 53.688 52.037 -0.102 0.000 0.638 755 A CB -0.850 18.092 19.000 -0.097 0.000 0.812 755 A HN 0.566 nan 8.150 nan 0.000 0.446 756 H N -1.456 117.579 119.070 -0.058 0.000 2.448 756 H HA 0.228 4.785 4.556 0.003 0.000 0.292 756 H C 0.622 175.954 175.328 0.006 0.000 1.035 756 H CA 0.962 56.978 56.048 -0.052 0.000 1.349 756 H CB -0.657 29.079 29.762 -0.043 0.000 1.425 756 H HN 0.461 nan 8.280 nan 0.000 0.539 757 E N 2.977 122.992 120.200 -0.308 0.000 2.044 757 E HA 0.243 4.595 4.350 0.003 0.000 0.282 757 E C -2.294 174.324 176.600 0.031 0.000 1.031 757 E CA -2.092 54.276 56.400 -0.053 0.000 0.824 757 E CB 0.883 30.606 29.700 0.038 0.000 1.076 757 E HN 0.344 nan 8.360 nan 0.000 0.395 758 P HA 0.017 nan 4.420 nan 0.000 0.233 758 P C 1.417 178.731 177.300 0.024 0.000 1.167 758 P CA 1.171 64.294 63.100 0.039 0.000 0.770 758 P CB 0.648 32.348 31.700 0.000 0.000 0.837 759 A N 0.051 122.827 122.820 -0.073 0.000 1.845 759 A HA -0.221 4.101 4.320 0.003 0.000 0.215 759 A C 1.988 179.388 177.584 -0.307 0.000 1.195 759 A CA 1.477 53.366 52.037 -0.245 0.000 0.616 759 A CB -1.584 17.149 19.000 -0.445 0.000 0.832 759 A HN 0.246 nan 8.150 nan 0.000 0.443 760 H N -2.773 116.276 119.070 -0.035 0.000 2.512 760 H HA 0.029 4.587 4.556 0.003 0.000 0.279 760 H C 1.865 177.133 175.328 -0.100 0.000 0.999 760 H CA 0.952 56.921 56.048 -0.131 0.000 1.283 760 H CB -0.323 29.268 29.762 -0.284 0.000 1.421 760 H HN 0.572 nan 8.280 nan 0.000 0.554 761 F N 3.361 123.307 119.950 -0.005 0.000 2.202 761 F HA -0.083 4.446 4.527 0.003 0.000 0.301 761 F C -0.814 174.977 175.800 -0.016 0.000 1.082 761 F CA 0.313 58.316 58.000 0.005 0.000 1.313 761 F CB -0.884 38.125 39.000 0.016 0.000 1.024 761 F HN 0.048 nan 8.300 nan 0.000 0.495 762 P HA -0.228 nan 4.420 nan 0.000 0.217 762 P C -1.228 175.920 177.300 -0.253 0.000 1.158 762 P CA 2.547 65.565 63.100 -0.138 0.000 0.887 762 P CB -1.670 30.003 31.700 -0.045 0.000 0.792 763 P HA -0.118 nan 4.420 nan 0.000 0.215 763 P C 1.865 179.019 177.300 -0.242 0.000 1.153 763 P CA 1.306 64.292 63.100 -0.189 0.000 0.853 763 P CB -0.570 31.034 31.700 -0.160 0.000 0.788 764 I N -0.265 120.080 120.570 -0.375 0.000 2.286 764 I HA -0.253 3.919 4.170 0.003 0.000 0.248 764 I C 2.847 178.729 176.117 -0.392 0.000 1.115 764 I CA 2.066 63.145 61.300 -0.367 0.000 1.392 764 I CB -1.340 36.417 38.000 -0.406 0.000 1.065 764 I HN 0.006 nan 8.210 nan 0.000 0.418 765 E N 1.415 121.206 120.200 -0.683 0.000 2.085 765 E HA -0.231 4.121 4.350 0.003 0.000 0.194 765 E C 2.312 178.883 176.600 -0.050 0.000 0.994 765 E CA 1.689 57.896 56.400 -0.322 0.000 0.801 765 E CB -0.867 28.689 29.700 -0.240 0.000 0.743 765 E HN 0.632 nan 8.360 nan 0.000 0.453 766 A N 0.178 122.941 122.820 -0.094 0.000 1.877 766 A HA 0.098 4.420 4.320 0.003 0.000 0.216 766 A C 2.471 180.050 177.584 -0.008 0.000 1.186 766 A CA 1.807 53.825 52.037 -0.033 0.000 0.620 766 A CB -0.508 18.462 19.000 -0.051 0.000 0.822 766 A HN 0.639 nan 8.150 nan 0.000 0.443 767 L N -1.302 119.905 121.223 -0.026 0.000 2.042 767 L HA -0.129 4.213 4.340 0.003 0.000 0.210 767 L C 2.186 179.064 176.870 0.012 0.000 1.076 767 L CA 2.356 57.189 54.840 -0.012 0.000 0.749 767 L CB -0.932 41.112 42.059 -0.025 0.000 0.893 767 L HN 0.440 nan 8.230 nan 0.000 0.432 768 F N -0.288 119.615 119.950 -0.079 0.000 2.095 768 F HA -0.263 4.266 4.527 0.003 0.000 0.298 768 F C 2.054 177.839 175.800 -0.024 0.000 1.104 768 F CA 2.091 60.064 58.000 -0.046 0.000 1.232 768 F CB -0.386 38.593 39.000 -0.035 0.000 0.987 768 F HN 0.091 nan 8.300 nan 0.000 0.475 769 L N -0.480 120.724 121.223 -0.032 0.000 2.017 769 L HA -0.197 4.145 4.340 0.003 0.000 0.208 769 L C 2.447 179.245 176.870 -0.119 0.000 1.073 769 L CA 1.075 55.855 54.840 -0.101 0.000 0.745 769 L CB -1.060 41.021 42.059 0.036 0.000 0.894 769 L HN 0.303 nan 8.230 nan 0.000 0.432 770 L N -0.154 121.034 121.223 -0.060 0.000 1.989 770 L HA -0.169 4.172 4.340 0.003 0.000 0.211 770 L C 2.420 179.281 176.870 -0.015 0.000 1.071 770 L CA 1.798 56.625 54.840 -0.023 0.000 0.749 770 L CB -0.614 41.450 42.059 0.008 0.000 0.890 770 L HN -0.058 nan 8.230 nan 0.000 0.431 771 V N -0.298 119.573 119.914 -0.073 0.000 2.332 771 V HA -0.322 3.800 4.120 0.003 0.000 0.248 771 V C 2.486 178.512 176.094 -0.112 0.000 1.055 771 V CA 2.259 64.491 62.300 -0.113 0.000 1.038 771 V CB -1.290 30.297 31.823 -0.394 0.000 0.651 771 V HN 0.609 nan 8.190 nan 0.000 0.450 772 T N -0.436 113.987 114.554 -0.218 0.000 2.777 772 T HA -0.166 4.186 4.350 0.003 0.000 0.266 772 T C 2.149 176.776 174.700 -0.121 0.000 1.040 772 T CA 1.720 63.722 62.100 -0.164 0.000 1.141 772 T CB -0.287 68.437 68.868 -0.240 0.000 0.868 772 T HN 0.503 nan 8.240 nan 0.000 0.444 773 S N 1.083 116.737 115.700 -0.076 0.000 2.359 773 S HA -0.114 4.358 4.470 0.003 0.000 0.224 773 S C 2.345 176.922 174.600 -0.038 0.000 1.035 773 S CA 1.124 59.303 58.200 -0.034 0.000 1.018 773 S CB -0.606 62.584 63.200 -0.018 0.000 0.876 773 S HN 0.293 nan 8.310 nan 0.000 0.448 774 V N 1.592 121.492 119.914 -0.023 0.000 2.358 774 V HA -0.159 3.963 4.120 0.003 0.000 0.246 774 V C 2.490 178.525 176.094 -0.098 0.000 1.047 774 V CA 2.054 64.325 62.300 -0.049 0.000 1.035 774 V CB -1.331 30.468 31.823 -0.039 0.000 0.658 774 V HN 0.513 nan 8.190 nan 0.000 0.452 775 T N 0.340 114.814 114.554 -0.134 0.000 2.777 775 T HA -0.069 4.283 4.350 0.003 0.000 0.266 775 T C 1.934 176.490 174.700 -0.241 0.000 1.040 775 T CA 1.316 63.229 62.100 -0.312 0.000 1.141 775 T CB -0.260 68.090 68.868 -0.864 0.000 0.868 775 T HN 0.256 nan 8.240 nan 0.000 0.444 776 L N 0.700 121.799 121.223 -0.206 0.000 2.012 776 L HA -0.159 4.183 4.340 0.003 0.000 0.210 776 L C 3.028 179.955 176.870 0.096 0.000 1.073 776 L CA 1.568 56.408 54.840 -0.000 0.000 0.748 776 L CB -0.876 41.208 42.059 0.043 0.000 0.891 776 L HN 0.338 nan 8.230 nan 0.000 0.431 777 T N -0.341 114.234 114.554 0.036 0.000 2.867 777 T HA -0.173 4.179 4.350 0.003 0.000 0.268 777 T C 1.722 176.451 174.700 0.048 0.000 1.057 777 T CA 1.179 63.304 62.100 0.043 0.000 1.136 777 T CB -0.050 68.823 68.868 0.008 0.000 0.874 777 T HN 0.198 nan 8.240 nan 0.000 0.466 778 L N -0.007 121.236 121.223 0.033 0.000 2.291 778 L HA 0.264 4.606 4.340 0.003 0.000 0.214 778 L C 1.776 178.720 176.870 0.123 0.000 1.120 778 L CA 1.441 56.308 54.840 0.044 0.000 0.799 778 L CB -0.847 41.207 42.059 -0.010 0.000 0.925 778 L HN 0.336 nan 8.230 nan 0.000 0.446 779 F N 0.145 120.102 119.950 0.013 0.000 2.206 779 F HA -0.113 4.416 4.527 0.003 0.000 0.298 779 F C 2.355 178.192 175.800 0.061 0.000 1.090 779 F CA 1.498 59.534 58.000 0.061 0.000 1.323 779 F CB -0.191 38.850 39.000 0.068 0.000 1.028 779 F HN 0.194 nan 8.300 nan 0.000 0.492 780 Q N -0.226 119.628 119.800 0.088 0.000 2.170 780 Q HA -0.229 4.113 4.340 0.003 0.000 0.203 780 Q C 2.115 178.073 176.000 -0.070 0.000 0.976 780 Q CA 1.659 57.464 55.803 0.004 0.000 0.858 780 Q CB -0.266 28.517 28.738 0.075 0.000 0.907 780 Q HN 0.595 nan 8.270 nan 0.000 0.433 781 Q N -0.614 119.152 119.800 -0.056 0.000 2.046 781 Q HA -0.038 4.304 4.340 0.003 0.000 0.200 781 Q C 0.618 176.552 176.000 -0.110 0.000 0.975 781 Q CA 1.091 56.858 55.803 -0.061 0.000 0.836 781 Q CB 0.280 29.000 28.738 -0.030 0.000 0.896 781 Q HN 0.293 nan 8.270 nan 0.000 0.428 782 G N 0.425 109.127 108.800 -0.163 0.000 3.594 782 G HA2 0.166 4.128 3.960 0.003 0.000 0.295 782 G HA3 0.166 4.128 3.960 0.003 0.000 0.295 782 G C -2.409 172.295 174.900 -0.328 0.000 1.576 782 G CA -0.708 44.260 45.100 -0.219 0.000 0.661 782 G HN -0.114 nan 8.290 nan 0.000 0.452 783 P HA -0.214 nan 4.420 nan 0.000 0.216 783 P C 1.142 178.198 177.300 -0.406 0.000 1.154 783 P CA 0.981 63.528 63.100 -0.922 0.000 0.865 783 P CB 0.352 31.279 31.700 -1.288 0.000 0.789 784 R N -0.443 119.787 120.500 -0.450 0.000 2.363 784 R HA 0.060 4.402 4.340 0.003 0.000 0.236 784 R C 0.768 176.844 176.300 -0.373 0.000 0.966 784 R CA 0.125 55.880 56.100 -0.575 0.000 1.100 784 R CB -0.268 29.673 30.300 -0.598 0.000 1.125 784 R HN 0.219 nan 8.270 nan 0.000 0.514 785 D N -0.371 119.819 120.400 -0.351 0.000 2.354 785 D HA -0.003 4.639 4.640 0.003 0.000 0.209 785 D C 0.195 176.134 176.300 -0.601 0.000 1.015 785 D CA 0.892 54.598 54.000 -0.489 0.000 0.867 785 D CB 0.414 40.831 40.800 -0.638 0.000 0.933 785 D HN 0.254 nan 8.370 nan 0.000 0.520 786 H N -0.654 118.426 119.070 0.017 0.000 2.439 786 H HA 0.213 4.771 4.556 0.003 0.000 0.228 786 H C -1.805 173.605 175.328 0.137 0.000 1.423 786 H CA -1.486 54.605 56.048 0.071 0.000 1.386 786 H CB 1.382 31.194 29.762 0.082 0.000 1.641 786 H HN -0.071 nan 8.280 nan 0.000 0.508 787 P HA -0.226 nan 4.420 nan 0.000 0.216 787 P C 1.523 178.962 177.300 0.233 0.000 1.157 787 P CA 1.822 65.063 63.100 0.234 0.000 0.880 787 P CB 0.400 32.188 31.700 0.147 0.000 0.791 788 D N -0.422 120.088 120.400 0.184 0.000 2.123 788 D HA -0.181 4.461 4.640 0.003 0.000 0.196 788 D C 1.921 178.317 176.300 0.160 0.000 0.992 788 D CA 1.428 55.519 54.000 0.152 0.000 0.833 788 D CB -1.361 39.511 40.800 0.121 0.000 0.954 788 D HN 0.222 nan 8.370 nan 0.000 0.455 789 I N 0.276 120.957 120.570 0.185 0.000 2.252 789 I HA -0.195 3.976 4.170 0.003 0.000 0.245 789 I C 2.541 178.787 176.117 0.215 0.000 1.102 789 I CA 0.555 61.957 61.300 0.171 0.000 1.385 789 I CB -0.124 37.954 38.000 0.131 0.000 1.064 789 I HN -0.055 nan 8.210 nan 0.000 0.414 790 V N 0.977 121.056 119.914 0.274 0.000 2.343 790 V HA -0.325 3.797 4.120 0.003 0.000 0.247 790 V C 2.373 178.579 176.094 0.187 0.000 1.051 790 V CA 2.228 64.699 62.300 0.285 0.000 1.036 790 V CB -0.686 31.397 31.823 0.434 0.000 0.654 790 V HN 0.539 nan 8.190 nan 0.000 0.451 791 D N 0.245 120.746 120.400 0.169 0.000 2.103 791 D HA -0.188 4.453 4.640 0.003 0.000 0.190 791 D C 2.223 178.576 176.300 0.089 0.000 0.997 791 D CA 2.186 56.248 54.000 0.103 0.000 0.833 791 D CB 0.004 40.870 40.800 0.109 0.000 0.961 791 D HN 0.427 nan 8.370 nan 0.000 0.447 792 S N -0.393 115.377 115.700 0.117 0.000 2.383 792 S HA -0.154 4.318 4.470 0.003 0.000 0.229 792 S C 1.661 176.349 174.600 0.148 0.000 1.030 792 S CA 0.689 58.955 58.200 0.110 0.000 1.002 792 S CB -0.533 62.730 63.200 0.105 0.000 0.829 792 S HN 0.357 nan 8.310 nan 0.000 0.467 793 F N 2.336 122.272 119.950 -0.023 0.000 2.134 793 F HA -0.044 4.485 4.527 0.003 0.000 0.299 793 F C 2.012 177.755 175.800 -0.095 0.000 1.097 793 F CA 1.133 59.093 58.000 -0.067 0.000 1.264 793 F CB -0.449 38.497 39.000 -0.090 0.000 1.001 793 F HN 0.100 nan 8.300 nan 0.000 0.479 794 M N -0.020 119.485 119.600 -0.158 0.000 2.175 794 M HA -0.194 4.288 4.480 0.003 0.000 0.264 794 M C 2.109 178.335 176.300 -0.123 0.000 1.063 794 M CA 1.462 56.576 55.300 -0.310 0.000 1.119 794 M CB -1.518 30.940 32.600 -0.236 0.000 1.377 794 M HN 0.283 nan 8.290 nan 0.000 0.415 795 Q N -0.187 119.596 119.800 -0.028 0.000 2.079 795 Q HA -0.172 4.170 4.340 0.003 0.000 0.200 795 Q C 2.123 178.156 176.000 0.055 0.000 0.974 795 Q CA 1.135 56.952 55.803 0.023 0.000 0.840 795 Q CB -0.336 28.423 28.738 0.036 0.000 0.898 795 Q HN 0.331 nan 8.270 nan 0.000 0.430 796 L N 0.788 122.051 121.223 0.067 0.000 1.976 796 L HA -0.184 4.158 4.340 0.003 0.000 0.209 796 L C 1.991 178.969 176.870 0.180 0.000 1.071 796 L CA 1.664 56.586 54.840 0.136 0.000 0.746 796 L CB -0.623 41.543 42.059 0.177 0.000 0.890 796 L HN 0.195 nan 8.230 nan 0.000 0.432 797 L N -0.321 120.954 121.223 0.087 0.000 2.043 797 L HA -0.275 4.067 4.340 0.003 0.000 0.212 797 L C 2.669 179.738 176.870 0.332 0.000 1.075 797 L CA 1.494 56.469 54.840 0.226 0.000 0.752 797 L CB -0.994 41.025 42.059 -0.068 0.000 0.891 797 L HN 0.456 nan 8.230 nan 0.000 0.432 798 A N -0.747 122.205 122.820 0.220 0.000 1.930 798 A HA -0.263 4.059 4.320 0.003 0.000 0.217 798 A C 2.203 179.846 177.584 0.098 0.000 1.175 798 A CA 1.739 53.859 52.037 0.139 0.000 0.627 798 A CB -0.461 18.589 19.000 0.083 0.000 0.815 798 A HN 0.417 nan 8.150 nan 0.000 0.443 799 Q N -0.015 119.852 119.800 0.113 0.000 2.119 799 Q HA 0.002 4.344 4.340 0.003 0.000 0.201 799 Q C 1.998 178.048 176.000 0.083 0.000 0.972 799 Q CA 2.031 57.893 55.803 0.098 0.000 0.847 799 Q CB -0.579 28.231 28.738 0.120 0.000 0.903 799 Q HN 0.541 nan 8.270 nan 0.000 0.433 800 A N 0.070 122.959 122.820 0.114 0.000 1.873 800 A HA -0.112 4.210 4.320 0.003 0.000 0.215 800 A C 2.106 179.759 177.584 0.115 0.000 1.186 800 A CA 1.367 53.428 52.037 0.040 0.000 0.616 800 A CB -0.806 18.126 19.000 -0.113 0.000 0.823 800 A HN 0.444 nan 8.150 nan 0.000 0.442 801 L N -0.651 120.689 121.223 0.195 0.000 2.079 801 L HA -0.207 4.135 4.340 0.003 0.000 0.210 801 L C 2.616 179.472 176.870 -0.025 0.000 1.081 801 L CA 1.978 56.844 54.840 0.042 0.000 0.752 801 L CB -0.296 41.685 42.059 -0.130 0.000 0.896 801 L HN 0.475 nan 8.230 nan 0.000 0.433 802 K N -0.602 119.791 120.400 -0.012 0.000 2.031 802 K HA -0.095 4.227 4.320 0.003 0.000 0.205 802 K C 2.203 178.776 176.600 -0.045 0.000 1.049 802 K CA 0.905 57.173 56.287 -0.031 0.000 0.939 802 K CB 0.220 32.712 32.500 -0.014 0.000 0.717 802 K HN 0.057 nan 8.250 nan 0.000 0.438 803 R N -0.388 120.083 120.500 -0.048 0.000 2.225 803 R HA 0.076 4.418 4.340 0.003 0.000 0.194 803 R C 0.347 176.578 176.300 -0.115 0.000 0.957 803 R CA 0.825 56.872 56.100 -0.088 0.000 1.042 803 R CB 0.606 30.839 30.300 -0.112 0.000 1.004 803 R HN 0.011 nan 8.270 nan 0.000 0.509 804 K N 1.267 121.603 120.400 -0.106 0.000 2.827 804 K HA 0.375 4.697 4.320 0.003 0.000 0.186 804 K C -2.566 174.002 176.600 -0.054 0.000 1.093 804 K CA -1.399 54.793 56.287 -0.159 0.000 0.993 804 K CB 1.390 33.718 32.500 -0.287 0.000 1.199 804 K HN -0.154 nan 8.250 nan 0.000 0.598 805 P HA -0.231 nan 4.420 nan 0.000 0.215 805 P C 1.018 178.399 177.300 0.134 0.000 1.157 805 P CA 1.625 64.763 63.100 0.064 0.000 0.868 805 P CB 0.295 31.989 31.700 -0.009 0.000 0.788 806 D N 0.085 120.514 120.400 0.048 0.000 2.239 806 D HA -0.204 4.438 4.640 0.003 0.000 0.202 806 D C 1.904 178.254 176.300 0.084 0.000 0.993 806 D CA 1.005 55.041 54.000 0.059 0.000 0.874 806 D CB -1.310 39.497 40.800 0.011 0.000 0.922 806 D HN 0.213 nan 8.370 nan 0.000 0.464 807 L N -0.859 120.387 121.223 0.039 0.000 2.270 807 L HA -0.191 4.150 4.340 0.003 0.000 0.217 807 L C 1.936 178.766 176.870 -0.067 0.000 1.107 807 L CA 0.930 55.740 54.840 -0.050 0.000 0.772 807 L CB -0.391 41.496 42.059 -0.287 0.000 0.902 807 L HN -0.067 nan 8.230 nan 0.000 0.439 808 F N -1.200 118.781 119.950 0.050 0.000 2.811 808 F HA -0.028 4.501 4.527 0.003 0.000 0.301 808 F C 1.795 177.650 175.800 0.091 0.000 1.151 808 F CA 0.480 58.543 58.000 0.105 0.000 1.412 808 F CB -0.058 38.996 39.000 0.090 0.000 1.113 808 F HN -0.012 nan 8.300 nan 0.000 0.579 809 L N -1.495 119.835 121.223 0.177 0.000 2.529 809 L HA 0.044 4.386 4.340 0.003 0.000 0.223 809 L C 0.775 177.702 176.870 0.094 0.000 1.113 809 L CA -0.183 54.733 54.840 0.126 0.000 0.861 809 L CB -0.222 41.894 42.059 0.095 0.000 1.012 809 L HN -0.017 nan 8.230 nan 0.000 0.461 810 C N 1.678 121.029 119.300 0.084 0.000 2.538 810 C HA 0.052 4.514 4.460 0.003 0.000 0.408 810 C C 2.073 177.107 174.990 0.073 0.000 1.421 810 C CA 0.538 59.601 59.018 0.074 0.000 1.642 810 C CB 0.296 28.084 27.740 0.082 0.000 2.553 810 C HN 0.627 nan 8.230 nan 0.000 0.604 811 E N 1.698 121.935 120.200 0.062 0.000 2.274 811 E HA -0.075 4.276 4.350 0.003 0.000 0.194 811 E C 2.204 178.836 176.600 0.054 0.000 0.996 811 E CA 1.517 57.951 56.400 0.057 0.000 0.840 811 E CB -0.256 29.472 29.700 0.046 0.000 0.772 811 E HN 0.872 nan 8.360 nan 0.000 0.491 812 R N -0.456 120.075 120.500 0.051 0.000 2.275 812 R HA 0.503 4.845 4.340 0.003 0.000 0.199 812 R C 1.286 177.613 176.300 0.046 0.000 0.989 812 R CA 0.715 56.841 56.100 0.044 0.000 1.016 812 R CB -0.831 29.491 30.300 0.037 0.000 0.918 812 R HN 0.435 nan 8.270 nan 0.000 0.473 813 L N 1.631 122.889 121.223 0.058 0.000 2.331 813 L HA 0.327 4.668 4.340 0.003 0.000 0.278 813 L C -0.700 176.219 176.870 0.082 0.000 1.106 813 L CA -0.526 54.349 54.840 0.058 0.000 0.824 813 L CB 1.794 43.886 42.059 0.056 0.000 1.142 813 L HN 0.190 nan 8.230 nan 0.000 0.443 814 D N 3.830 124.282 120.400 0.086 0.000 2.524 814 D HA 0.115 4.757 4.640 0.003 0.000 0.222 814 D C 1.008 177.403 176.300 0.158 0.000 1.142 814 D CA -0.117 53.948 54.000 0.110 0.000 0.973 814 D CB 0.729 41.587 40.800 0.097 0.000 1.025 814 D HN 0.406 nan 8.370 nan 0.000 0.519 815 V N 3.763 123.794 119.914 0.195 0.000 2.407 815 V HA -0.212 3.909 4.120 0.003 0.000 0.248 815 V C 2.498 178.750 176.094 0.263 0.000 1.055 815 V CA 1.513 63.983 62.300 0.283 0.000 1.049 815 V CB -0.391 31.609 31.823 0.296 0.000 0.662 815 V HN 0.483 nan 8.190 nan 0.000 0.455 816 K N 0.265 120.778 120.400 0.189 0.000 2.097 816 K HA -0.136 4.186 4.320 0.003 0.000 0.205 816 K C 2.186 178.921 176.600 0.226 0.000 1.050 816 K CA 1.417 57.813 56.287 0.181 0.000 0.938 816 K CB -0.264 32.307 32.500 0.119 0.000 0.718 816 K HN 0.441 nan 8.250 nan 0.000 0.442 817 A N 0.484 123.416 122.820 0.186 0.000 1.930 817 A HA -0.070 4.252 4.320 0.003 0.000 0.217 817 A C 2.178 179.853 177.584 0.152 0.000 1.175 817 A CA 1.284 53.422 52.037 0.169 0.000 0.627 817 A CB -0.462 18.622 19.000 0.140 0.000 0.815 817 A HN 0.153 nan 8.150 nan 0.000 0.443 818 V N -1.297 118.712 119.914 0.159 0.000 2.295 818 V HA -0.239 3.883 4.120 0.003 0.000 0.246 818 V C 2.275 178.376 176.094 0.011 0.000 1.049 818 V CA 2.132 64.465 62.300 0.054 0.000 1.024 818 V CB -0.935 30.964 31.823 0.128 0.000 0.648 818 V HN 0.632 nan 8.190 nan 0.000 0.447 819 F N 0.769 120.782 119.950 0.106 0.000 2.216 819 F HA -0.245 4.284 4.527 0.003 0.000 0.300 819 F C 2.515 178.421 175.800 0.177 0.000 1.085 819 F CA 2.151 60.288 58.000 0.227 0.000 1.326 819 F CB -0.117 39.052 39.000 0.281 0.000 1.027 819 F HN 0.156 nan 8.300 nan 0.000 0.497 820 Q N -0.389 119.587 119.800 0.293 0.000 2.119 820 Q HA -0.197 4.144 4.340 0.003 0.000 0.201 820 Q C 2.404 178.452 176.000 0.080 0.000 0.972 820 Q CA 2.025 57.956 55.803 0.213 0.000 0.847 820 Q CB -0.902 27.972 28.738 0.226 0.000 0.903 820 Q HN 0.542 nan 8.270 nan 0.000 0.433 821 C N -0.466 118.794 119.300 -0.068 0.000 2.466 821 C HA 0.163 4.625 4.460 0.003 0.000 0.278 821 C C 2.656 177.409 174.990 -0.396 0.000 1.288 821 C CA 1.009 59.812 59.018 -0.359 0.000 1.722 821 C CB -1.286 26.118 27.740 -0.559 0.000 2.017 821 C HN 0.655 nan 8.230 nan 0.000 0.488 822 A N -0.009 122.551 122.820 -0.433 0.000 1.930 822 A HA -0.019 4.303 4.320 0.003 0.000 0.217 822 A C 2.268 179.810 177.584 -0.069 0.000 1.175 822 A CA 2.095 53.828 52.037 -0.506 0.000 0.627 822 A CB -0.703 17.692 19.000 -1.009 0.000 0.815 822 A HN 0.460 nan 8.150 nan 0.000 0.443 823 V N -0.028 119.922 119.914 0.059 0.000 2.427 823 V HA -0.201 3.921 4.120 0.003 0.000 0.248 823 V C 2.471 178.606 176.094 0.069 0.000 1.051 823 V CA 1.691 64.053 62.300 0.104 0.000 1.048 823 V CB -0.697 31.122 31.823 -0.007 0.000 0.666 823 V HN 0.547 nan 8.190 nan 0.000 0.456 824 L N 0.096 121.356 121.223 0.063 0.000 2.156 824 L HA -0.052 4.290 4.340 0.003 0.000 0.208 824 L C 2.681 179.493 176.870 -0.096 0.000 1.095 824 L CA 1.215 56.137 54.840 0.138 0.000 0.770 824 L CB -0.666 41.603 42.059 0.350 0.000 0.914 824 L HN 0.350 nan 8.230 nan 0.000 0.439 825 A N 0.112 122.666 122.820 -0.444 0.000 2.019 825 A HA -0.150 4.172 4.320 0.003 0.000 0.219 825 A C 2.191 179.442 177.584 -0.555 0.000 1.164 825 A CA 1.147 52.492 52.037 -1.153 0.000 0.644 825 A CB -0.606 17.938 19.000 -0.759 0.000 0.805 825 A HN 0.384 nan 8.150 nan 0.000 0.449 826 L N -1.049 120.104 121.223 -0.116 0.000 2.265 826 L HA -0.165 4.177 4.340 0.003 0.000 0.215 826 L C 2.756 179.762 176.870 0.227 0.000 1.117 826 L CA 1.493 56.416 54.840 0.138 0.000 0.782 826 L CB -0.425 41.820 42.059 0.309 0.000 0.914 826 L HN 0.513 nan 8.230 nan 0.000 0.441 827 K N -0.444 120.067 120.400 0.184 0.000 2.410 827 K HA 0.123 4.444 4.320 0.003 0.000 0.200 827 K C 0.202 177.059 176.600 0.428 0.000 1.023 827 K CA 0.012 56.460 56.287 0.267 0.000 1.149 827 K CB -0.426 32.210 32.500 0.228 0.000 0.859 827 K HN -0.064 nan 8.250 nan 0.000 0.514 828 F N 0.679 120.713 119.950 0.141 0.000 2.410 828 F HA 0.320 4.849 4.527 0.003 0.000 0.334 828 F C -1.312 174.548 175.800 0.101 0.000 1.134 828 F CA -2.570 55.499 58.000 0.115 0.000 1.227 828 F CB 1.419 40.493 39.000 0.123 0.000 1.194 828 F HN -0.119 nan 8.300 nan 0.000 0.571 829 P HA -0.125 nan 4.420 nan 0.000 0.216 829 P C -0.444 176.945 177.300 0.148 0.000 1.153 829 P CA 1.271 64.456 63.100 0.142 0.000 0.848 829 P CB 0.164 31.905 31.700 0.068 0.000 0.787 830 E N -0.704 119.598 120.200 0.170 0.000 2.366 830 E HA 0.205 4.557 4.350 0.003 0.000 0.266 830 E C 1.220 177.908 176.600 0.146 0.000 1.015 830 E CA 0.143 56.631 56.400 0.146 0.000 0.906 830 E CB 0.108 29.899 29.700 0.152 0.000 0.979 830 E HN 0.026 nan 8.360 nan 0.000 0.443 831 A N 6.318 129.203 122.820 0.109 0.000 1.877 831 A HA -0.093 4.229 4.320 0.003 0.000 0.216 831 A C -0.498 177.130 177.584 0.074 0.000 1.186 831 A CA 1.179 53.272 52.037 0.092 0.000 0.620 831 A CB -1.346 17.697 19.000 0.072 0.000 0.822 831 A HN 0.540 nan 8.150 nan 0.000 0.443 832 P HA -0.149 nan 4.420 nan 0.000 0.216 832 P C 1.452 178.791 177.300 0.065 0.000 1.157 832 P CA 2.106 65.243 63.100 0.061 0.000 0.880 832 P CB -0.296 31.445 31.700 0.068 0.000 0.791 833 T N -1.120 113.497 114.554 0.105 0.000 2.833 833 T HA -0.082 4.270 4.350 0.003 0.000 0.269 833 T C 1.767 176.488 174.700 0.036 0.000 1.054 833 T CA 1.139 63.306 62.100 0.112 0.000 1.135 833 T CB -0.857 68.160 68.868 0.248 0.000 0.869 833 T HN -0.091 nan 8.240 nan 0.000 0.466 834 V N 1.233 121.177 119.914 0.051 0.000 2.346 834 V HA -0.094 4.028 4.120 0.003 0.000 0.244 834 V C 2.460 178.511 176.094 -0.072 0.000 1.037 834 V CA 1.308 63.607 62.300 -0.001 0.000 1.029 834 V CB -0.453 31.413 31.823 0.071 0.000 0.663 834 V HN 0.400 nan 8.190 nan 0.000 0.454 835 K N 0.515 120.885 120.400 -0.050 0.000 2.089 835 K HA -0.241 4.080 4.320 0.003 0.000 0.210 835 K C 2.284 178.850 176.600 -0.057 0.000 1.048 835 K CA 1.744 57.990 56.287 -0.068 0.000 0.926 835 K CB -0.477 32.007 32.500 -0.027 0.000 0.714 835 K HN 0.485 nan 8.250 nan 0.000 0.448 836 A N 0.586 123.384 122.820 -0.036 0.000 1.933 836 A HA -0.174 4.148 4.320 0.003 0.000 0.218 836 A C 2.207 179.750 177.584 -0.069 0.000 1.175 836 A CA 2.008 54.023 52.037 -0.036 0.000 0.628 836 A CB -0.544 18.443 19.000 -0.021 0.000 0.814 836 A HN 0.279 nan 8.150 nan 0.000 0.444 837 S N -1.197 114.442 115.700 -0.101 0.000 2.371 837 S HA -0.163 4.308 4.470 0.003 0.000 0.224 837 S C 1.987 176.561 174.600 -0.043 0.000 1.029 837 S CA 1.418 59.527 58.200 -0.151 0.000 0.978 837 S CB -0.741 62.370 63.200 -0.148 0.000 0.833 837 S HN 0.675 nan 8.310 nan 0.000 0.466 838 C N 1.224 120.514 119.300 -0.016 0.000 2.413 838 C HA 0.012 4.474 4.460 0.003 0.000 0.276 838 C C 2.837 177.854 174.990 0.045 0.000 1.248 838 C CA 0.593 59.629 59.018 0.030 0.000 1.742 838 C CB -1.850 25.777 27.740 -0.188 0.000 2.017 838 C HN 0.750 nan 8.230 nan 0.000 0.481 839 G N -0.356 108.440 108.800 -0.007 0.000 2.432 839 G HA2 -0.248 3.713 3.960 0.003 0.000 0.219 839 G HA3 -0.248 3.713 3.960 0.003 0.000 0.219 839 G C 1.358 176.251 174.900 -0.013 0.000 1.135 839 G CA 0.851 45.948 45.100 -0.005 0.000 0.767 839 G HN 0.544 nan 8.290 nan 0.000 0.550 840 F N 0.912 120.735 119.950 -0.211 0.000 2.113 840 F HA 0.119 4.648 4.527 0.003 0.000 0.297 840 F C 2.148 177.786 175.800 -0.271 0.000 1.103 840 F CA 0.906 58.723 58.000 -0.305 0.000 1.248 840 F CB -0.271 38.420 39.000 -0.515 0.000 0.999 840 F HN 0.079 nan 8.300 nan 0.000 0.475 841 F N 0.903 120.687 119.950 -0.277 0.000 2.216 841 F HA -0.119 4.410 4.527 0.003 0.000 0.300 841 F C 2.600 178.253 175.800 -0.245 0.000 1.085 841 F CA 1.636 59.421 58.000 -0.358 0.000 1.326 841 F CB -1.618 37.321 39.000 -0.101 0.000 1.027 841 F HN -0.052 nan 8.300 nan 0.000 0.497 842 T N -0.684 113.882 114.554 0.019 0.000 2.788 842 T HA -0.144 4.208 4.350 0.003 0.000 0.268 842 T C 1.875 176.538 174.700 -0.062 0.000 1.044 842 T CA 1.423 63.533 62.100 0.017 0.000 1.139 842 T CB -0.073 68.808 68.868 0.022 0.000 0.867 842 T HN 0.193 nan 8.240 nan 0.000 0.454 843 E N 0.436 120.544 120.200 -0.155 0.000 2.140 843 E HA 0.096 4.448 4.350 0.003 0.000 0.191 843 E C 2.182 178.606 176.600 -0.293 0.000 0.973 843 E CA 0.230 56.517 56.400 -0.188 0.000 0.829 843 E CB -0.399 29.203 29.700 -0.163 0.000 0.781 843 E HN 0.322 nan 8.360 nan 0.000 0.466 844 L N 1.231 122.184 121.223 -0.450 0.000 2.012 844 L HA -0.179 4.163 4.340 0.003 0.000 0.210 844 L C 2.246 178.942 176.870 -0.291 0.000 1.073 844 L CA 1.523 56.063 54.840 -0.500 0.000 0.748 844 L CB -0.526 41.101 42.059 -0.719 0.000 0.891 844 L HN 0.045 nan 8.230 nan 0.000 0.431 845 L N -0.138 120.970 121.223 -0.191 0.000 2.017 845 L HA -0.124 4.218 4.340 0.003 0.000 0.208 845 L C -0.282 176.353 176.870 -0.392 0.000 1.073 845 L CA 1.189 55.933 54.840 -0.159 0.000 0.745 845 L CB -2.254 39.786 42.059 -0.031 0.000 0.894 845 L HN 0.272 nan 8.230 nan 0.000 0.432 846 P HA -0.166 nan 4.420 nan 0.000 0.223 846 P C 0.817 177.860 177.300 -0.430 0.000 1.144 846 P CA 1.185 63.740 63.100 -0.908 0.000 0.783 846 P CB -0.171 31.224 31.700 -0.508 0.000 0.771 847 R N -1.163 119.161 120.500 -0.293 0.000 2.363 847 R HA 0.108 4.450 4.340 0.003 0.000 0.236 847 R C 0.241 176.458 176.300 -0.138 0.000 0.966 847 R CA -0.237 55.748 56.100 -0.192 0.000 1.100 847 R CB -1.412 28.760 30.300 -0.213 0.000 1.125 847 R HN 0.198 nan 8.270 nan 0.000 0.514 848 C N 0.936 120.155 119.300 -0.136 0.000 2.566 848 C HA 0.358 4.820 4.460 0.003 0.000 0.393 848 C C 1.727 176.699 174.990 -0.028 0.000 1.309 848 C CA 0.881 59.862 59.018 -0.061 0.000 1.801 848 C CB -0.049 27.675 27.740 -0.026 0.000 2.493 848 C HN 0.888 nan 8.230 nan 0.000 0.575 849 G N 3.203 111.991 108.800 -0.021 0.000 2.225 849 G HA2 -0.264 3.698 3.960 0.003 0.000 0.254 849 G HA3 -0.264 3.698 3.960 0.003 0.000 0.254 849 G C 0.814 175.707 174.900 -0.012 0.000 0.988 849 G CA 0.717 45.812 45.100 -0.010 0.000 0.625 849 G HN 0.747 nan 8.290 nan 0.000 0.527 850 E N -0.705 119.480 120.200 -0.025 0.000 2.166 850 E HA 0.382 4.733 4.350 0.003 0.000 0.192 850 E C 0.766 177.357 176.600 -0.015 0.000 0.967 850 E CA 0.902 57.288 56.400 -0.024 0.000 0.840 850 E CB 0.434 30.110 29.700 -0.040 0.000 0.795 850 E HN 0.640 nan 8.360 nan 0.000 0.470 851 V N 0.706 120.609 119.914 -0.018 0.000 2.483 851 V HA 0.370 4.491 4.120 0.003 0.000 0.297 851 V C 0.601 176.701 176.094 0.011 0.000 1.027 851 V CA 0.625 62.929 62.300 0.006 0.000 0.855 851 V CB 1.158 32.987 31.823 0.011 0.000 0.995 851 V HN 0.310 nan 8.190 nan 0.000 0.424 852 E N 4.336 124.551 120.200 0.025 0.000 2.070 852 E HA -0.215 4.137 4.350 0.003 0.000 0.197 852 E C 2.158 178.779 176.600 0.034 0.000 1.004 852 E CA 2.453 58.868 56.400 0.026 0.000 0.805 852 E CB -1.038 28.680 29.700 0.030 0.000 0.744 852 E HN 1.466 nan 8.360 nan 0.000 0.451 853 S N 0.169 115.905 115.700 0.061 0.000 2.370 853 S HA -0.007 4.465 4.470 0.003 0.000 0.226 853 S C 2.443 177.079 174.600 0.061 0.000 1.033 853 S CA 1.932 60.182 58.200 0.083 0.000 1.011 853 S CB -0.514 62.774 63.200 0.148 0.000 0.852 853 S HN 0.420 nan 8.310 nan 0.000 0.457 854 V N 1.355 121.287 119.914 0.031 0.000 2.809 854 V HA -0.024 4.098 4.120 0.003 0.000 0.256 854 V C 2.641 178.718 176.094 -0.027 0.000 1.080 854 V CA 1.357 63.643 62.300 -0.023 0.000 1.102 854 V CB -0.866 30.888 31.823 -0.115 0.000 0.705 854 V HN 0.619 nan 8.190 nan 0.000 0.475 855 G N 0.158 108.949 108.800 -0.014 0.000 2.396 855 G HA2 -0.202 3.760 3.960 0.003 0.000 0.214 855 G HA3 -0.202 3.760 3.960 0.003 0.000 0.214 855 G C 1.839 176.734 174.900 -0.009 0.000 1.166 855 G CA 1.134 46.228 45.100 -0.011 0.000 0.793 855 G HN 0.533 nan 8.290 nan 0.000 0.533 856 K N 0.516 120.914 120.400 -0.005 0.000 2.026 856 K HA 0.117 4.439 4.320 0.003 0.000 0.208 856 K C 2.568 179.142 176.600 -0.043 0.000 1.048 856 K CA 1.622 57.905 56.287 -0.006 0.000 0.929 856 K CB -1.099 31.407 32.500 0.009 0.000 0.713 856 K HN 0.219 nan 8.250 nan 0.000 0.439 857 V N 0.979 120.844 119.914 -0.081 0.000 2.358 857 V HA -0.210 3.912 4.120 0.003 0.000 0.246 857 V C 2.521 178.385 176.094 -0.384 0.000 1.047 857 V CA 1.684 63.846 62.300 -0.229 0.000 1.035 857 V CB -0.153 31.536 31.823 -0.223 0.000 0.658 857 V HN 0.389 nan 8.190 nan 0.000 0.452 858 V N -0.056 119.727 119.914 -0.219 0.000 2.407 858 V HA -0.283 3.839 4.120 0.003 0.000 0.248 858 V C 2.992 179.168 176.094 0.137 0.000 1.055 858 V CA 2.437 64.691 62.300 -0.076 0.000 1.049 858 V CB -1.190 30.684 31.823 0.086 0.000 0.662 858 V HN 0.707 nan 8.190 nan 0.000 0.455 859 Q N -0.213 119.643 119.800 0.093 0.000 2.083 859 Q HA -0.247 4.095 4.340 0.003 0.000 0.198 859 Q C 2.054 178.163 176.000 0.182 0.000 0.969 859 Q CA 1.856 57.764 55.803 0.175 0.000 0.838 859 Q CB -0.594 28.185 28.738 0.069 0.000 0.900 859 Q HN 0.780 nan 8.270 nan 0.000 0.436 860 E N 0.501 120.724 120.200 0.038 0.000 2.028 860 E HA -0.102 4.250 4.350 0.003 0.000 0.191 860 E C 0.934 177.506 176.600 -0.046 0.000 0.988 860 E CA 1.230 57.632 56.400 0.003 0.000 0.799 860 E CB 0.282 29.963 29.700 -0.031 0.000 0.755 860 E HN 0.675 nan 8.360 nan 0.000 0.447 861 D N -0.966 119.333 120.400 -0.168 0.000 2.431 861 D HA 0.066 4.708 4.640 0.003 0.000 0.213 861 D C 1.524 177.699 176.300 -0.207 0.000 1.130 861 D CA 0.183 54.079 54.000 -0.173 0.000 0.834 861 D CB 0.735 41.464 40.800 -0.118 0.000 0.985 861 D HN 0.160 nan 8.370 nan 0.000 0.504 862 G N 1.578 110.195 108.800 -0.304 0.000 2.450 862 G HA2 -0.381 3.581 3.960 0.003 0.000 0.220 862 G HA3 -0.381 3.581 3.960 0.003 0.000 0.220 862 G C 1.922 176.144 174.900 -1.130 0.000 1.130 862 G CA 1.235 46.067 45.100 -0.448 0.000 0.760 862 G HN 0.416 nan 8.290 nan 0.000 0.557 863 R N 0.381 119.965 120.500 -1.526 0.000 2.105 863 R HA 0.117 4.459 4.340 0.003 0.000 0.239 863 R C 2.400 178.379 176.300 -0.535 0.000 1.135 863 R CA 1.940 57.250 56.100 -1.317 0.000 0.967 863 R CB -0.971 28.760 30.300 -0.948 0.000 0.861 863 R HN 0.527 nan 8.270 nan 0.000 0.442 864 M N -0.041 119.370 119.600 -0.314 0.000 2.108 864 M HA -0.113 4.369 4.480 0.003 0.000 0.261 864 M C 2.299 178.555 176.300 -0.074 0.000 1.066 864 M CA 2.224 57.463 55.300 -0.103 0.000 1.107 864 M CB -0.143 32.474 32.600 0.030 0.000 1.356 864 M HN 0.415 nan 8.290 nan 0.000 0.406 865 L N 0.533 121.705 121.223 -0.084 0.000 2.005 865 L HA -0.145 4.197 4.340 0.003 0.000 0.207 865 L C 2.141 178.925 176.870 -0.143 0.000 1.072 865 L CA 1.715 56.446 54.840 -0.182 0.000 0.744 865 L CB -1.006 40.912 42.059 -0.236 0.000 0.895 865 L HN 0.405 nan 8.230 nan 0.000 0.433 866 L N -0.478 120.664 121.223 -0.134 0.000 2.042 866 L HA -0.205 4.137 4.340 0.003 0.000 0.210 866 L C 2.356 179.244 176.870 0.030 0.000 1.076 866 L CA 1.880 56.704 54.840 -0.026 0.000 0.749 866 L CB -0.435 41.633 42.059 0.016 0.000 0.893 866 L HN 0.343 nan 8.230 nan 0.000 0.432 867 I N -0.600 119.975 120.570 0.009 0.000 2.226 867 I HA -0.286 3.886 4.170 0.003 0.000 0.245 867 I C 2.588 178.790 176.117 0.142 0.000 1.100 867 I CA 1.112 62.487 61.300 0.126 0.000 1.374 867 I CB -0.631 37.395 38.000 0.044 0.000 1.057 867 I HN 0.365 nan 8.210 nan 0.000 0.413 868 A N 0.357 123.211 122.820 0.057 0.000 1.933 868 A HA -0.133 4.189 4.320 0.003 0.000 0.218 868 A C 2.424 180.007 177.584 -0.002 0.000 1.175 868 A CA 1.572 53.639 52.037 0.049 0.000 0.628 868 A CB -0.860 18.166 19.000 0.043 0.000 0.814 868 A HN 0.242 nan 8.150 nan 0.000 0.444 869 V N 0.043 119.965 119.914 0.013 0.000 2.358 869 V HA -0.225 3.897 4.120 0.003 0.000 0.246 869 V C 2.497 178.533 176.094 -0.096 0.000 1.047 869 V CA 1.850 64.144 62.300 -0.010 0.000 1.035 869 V CB -0.672 31.223 31.823 0.119 0.000 0.658 869 V HN 0.568 nan 8.190 nan 0.000 0.452 870 L N -0.477 120.749 121.223 0.004 0.000 2.217 870 L HA -0.121 4.221 4.340 0.003 0.000 0.211 870 L C 2.511 179.276 176.870 -0.174 0.000 1.107 870 L CA 1.269 56.098 54.840 -0.019 0.000 0.783 870 L CB -0.529 41.573 42.059 0.071 0.000 0.919 870 L HN 0.402 nan 8.230 nan 0.000 0.442 871 E N 0.276 120.401 120.200 -0.125 0.000 2.106 871 E HA -0.176 4.176 4.350 0.003 0.000 0.192 871 E C 2.313 178.783 176.600 -0.217 0.000 0.984 871 E CA 1.042 57.349 56.400 -0.154 0.000 0.806 871 E CB -0.064 29.642 29.700 0.009 0.000 0.750 871 E HN 0.497 nan 8.360 nan 0.000 0.458 872 A N 1.309 123.927 122.820 -0.337 0.000 1.873 872 A HA -0.133 4.189 4.320 0.003 0.000 0.215 872 A C 2.156 179.493 177.584 -0.412 0.000 1.186 872 A CA 0.931 52.649 52.037 -0.533 0.000 0.616 872 A CB -0.486 17.675 19.000 -1.398 0.000 0.823 872 A HN 0.115 nan 8.150 nan 0.000 0.442 873 I N -0.217 120.147 120.570 -0.342 0.000 2.394 873 I HA -0.155 4.017 4.170 0.003 0.000 0.251 873 I C 2.593 178.603 176.117 -0.178 0.000 1.136 873 I CA 0.961 62.165 61.300 -0.159 0.000 1.425 873 I CB -0.596 37.411 38.000 0.012 0.000 1.079 873 I HN 0.401 nan 8.210 nan 0.000 0.425 874 G N 0.147 108.815 108.800 -0.220 0.000 2.470 874 G HA2 -0.008 3.954 3.960 0.003 0.000 0.220 874 G HA3 -0.008 3.954 3.960 0.003 0.000 0.220 874 G C 1.321 176.076 174.900 -0.241 0.000 1.121 874 G CA 1.032 45.960 45.100 -0.287 0.000 0.766 874 G HN 0.571 nan 8.290 nan 0.000 0.553 875 G N -1.421 107.265 108.800 -0.190 0.000 3.254 875 G HA2 -0.152 3.810 3.960 0.003 0.000 0.219 875 G HA3 -0.152 3.810 3.960 0.003 0.000 0.219 875 G C 0.924 175.766 174.900 -0.097 0.000 0.964 875 G CA 0.391 45.408 45.100 -0.137 0.000 0.823 875 G HN 0.396 nan 8.290 nan 0.000 0.579 876 Q N 0.367 120.104 119.800 -0.104 0.000 2.515 876 Q HA 0.470 4.812 4.340 0.003 0.000 0.212 876 Q C 1.074 177.057 176.000 -0.029 0.000 0.970 876 Q CA 0.888 56.658 55.803 -0.055 0.000 0.941 876 Q CB 0.329 29.041 28.738 -0.043 0.000 0.998 876 Q HN 0.646 nan 8.270 nan 0.000 0.518 877 A N 0.120 122.906 122.820 -0.056 0.000 2.380 877 A HA 0.689 5.011 4.320 0.003 0.000 0.315 877 A C -0.202 177.412 177.584 0.050 0.000 1.101 877 A CA -0.414 51.638 52.037 0.026 0.000 0.771 877 A CB 0.949 19.952 19.000 0.005 0.000 1.287 877 A HN 0.241 nan 8.150 nan 0.000 0.436 878 S N -0.045 115.714 115.700 0.098 0.000 2.558 878 S HA 0.242 4.714 4.470 0.003 0.000 0.288 878 S C 1.067 175.718 174.600 0.085 0.000 1.318 878 S CA 0.169 58.416 58.200 0.078 0.000 1.056 878 S CB -0.009 63.242 63.200 0.086 0.000 0.853 878 S HN 0.686 nan 8.310 nan 0.000 0.505 879 R N 1.922 122.454 120.500 0.053 0.000 2.193 879 R HA -0.058 4.284 4.340 0.003 0.000 0.229 879 R C 2.754 179.098 176.300 0.073 0.000 1.110 879 R CA 1.297 57.428 56.100 0.052 0.000 0.988 879 R CB -0.579 29.736 30.300 0.025 0.000 0.871 879 R HN 0.838 nan 8.270 nan 0.000 0.458 880 S N 1.306 117.050 115.700 0.074 0.000 2.399 880 S HA -0.063 4.409 4.470 0.003 0.000 0.231 880 S C 1.846 176.501 174.600 0.091 0.000 1.022 880 S CA 1.073 59.315 58.200 0.070 0.000 0.983 880 S CB -0.231 63.005 63.200 0.060 0.000 0.803 880 S HN 0.165 nan 8.310 nan 0.000 0.480 881 L N 0.646 121.952 121.223 0.139 0.000 2.591 881 L HA 0.115 4.457 4.340 0.003 0.000 0.228 881 L C 1.975 179.009 176.870 0.273 0.000 1.133 881 L CA -0.255 54.689 54.840 0.174 0.000 0.880 881 L CB -0.271 41.937 42.059 0.250 0.000 1.033 881 L HN 0.244 nan 8.230 nan 0.000 0.450 882 M N -0.104 119.639 119.600 0.239 0.000 2.080 882 M HA -0.218 4.264 4.480 0.003 0.000 0.260 882 M C 1.714 178.144 176.300 0.217 0.000 1.068 882 M CA 1.679 57.134 55.300 0.258 0.000 1.109 882 M CB -0.939 31.753 32.600 0.154 0.000 1.342 882 M HN 0.182 nan 8.290 nan 0.000 0.405 883 D N -0.190 120.288 120.400 0.130 0.000 2.149 883 D HA -0.138 4.504 4.640 0.003 0.000 0.198 883 D C 2.202 178.545 176.300 0.072 0.000 0.990 883 D CA 1.116 55.169 54.000 0.089 0.000 0.839 883 D CB -0.374 40.454 40.800 0.047 0.000 0.948 883 D HN 0.364 nan 8.370 nan 0.000 0.460 884 C N -0.059 119.260 119.300 0.033 0.000 2.432 884 C HA -0.132 4.330 4.460 0.003 0.000 0.277 884 C C 2.537 177.477 174.990 -0.084 0.000 1.249 884 C CA 0.181 59.151 59.018 -0.079 0.000 1.725 884 C CB -1.297 26.310 27.740 -0.221 0.000 2.028 884 C HN 0.243 nan 8.230 nan 0.000 0.477 885 F N 1.536 121.538 119.950 0.086 0.000 2.293 885 F HA -0.021 4.507 4.527 0.003 0.000 0.300 885 F C 2.462 178.326 175.800 0.107 0.000 1.086 885 F CA 1.176 59.231 58.000 0.093 0.000 1.375 885 F CB -0.763 38.289 39.000 0.088 0.000 1.045 885 F HN 0.166 nan 8.300 nan 0.000 0.516 886 A N -0.235 122.748 122.820 0.270 0.000 1.969 886 A HA -0.167 4.155 4.320 0.003 0.000 0.218 886 A C 1.968 179.668 177.584 0.193 0.000 1.169 886 A CA 1.841 54.010 52.037 0.219 0.000 0.635 886 A CB -0.665 18.440 19.000 0.175 0.000 0.810 886 A HN 0.222 nan 8.150 nan 0.000 0.445 887 D N 0.159 120.644 120.400 0.142 0.000 2.144 887 D HA -0.114 4.528 4.640 0.003 0.000 0.199 887 D C 1.811 178.231 176.300 0.200 0.000 0.984 887 D CA 1.085 55.169 54.000 0.140 0.000 0.834 887 D CB -0.297 40.543 40.800 0.066 0.000 0.955 887 D HN 0.540 nan 8.370 nan 0.000 0.465 888 I N 0.449 121.119 120.570 0.167 0.000 2.286 888 I HA -0.220 3.952 4.170 0.003 0.000 0.248 888 I C 2.380 178.595 176.117 0.164 0.000 1.115 888 I CA 0.579 61.973 61.300 0.156 0.000 1.392 888 I CB -0.100 37.974 38.000 0.124 0.000 1.065 888 I HN -0.003 nan 8.210 nan 0.000 0.418 889 L N -0.377 120.956 121.223 0.183 0.000 2.027 889 L HA -0.220 4.122 4.340 0.003 0.000 0.206 889 L C 2.603 179.565 176.870 0.153 0.000 1.074 889 L CA 1.380 56.309 54.840 0.147 0.000 0.745 889 L CB -0.610 41.534 42.059 0.141 0.000 0.898 889 L HN 0.187 nan 8.230 nan 0.000 0.433 890 F N 1.054 121.042 119.950 0.064 0.000 2.095 890 F HA -0.294 4.235 4.527 0.003 0.000 0.298 890 F C 2.468 178.313 175.800 0.074 0.000 1.104 890 F CA 1.518 59.551 58.000 0.054 0.000 1.232 890 F CB -0.292 38.738 39.000 0.052 0.000 0.987 890 F HN 0.011 nan 8.300 nan 0.000 0.475 891 A N 0.432 123.393 122.820 0.236 0.000 1.940 891 A HA -0.159 4.163 4.320 0.003 0.000 0.219 891 A C 2.266 179.935 177.584 0.141 0.000 1.176 891 A CA 1.915 54.081 52.037 0.215 0.000 0.631 891 A CB -1.179 17.962 19.000 0.236 0.000 0.814 891 A HN 0.527 nan 8.150 nan 0.000 0.446 892 L N -0.229 121.049 121.223 0.091 0.000 2.156 892 L HA -0.131 4.211 4.340 0.003 0.000 0.208 892 L C 2.569 179.431 176.870 -0.013 0.000 1.095 892 L CA 1.171 56.052 54.840 0.069 0.000 0.770 892 L CB -0.547 41.567 42.059 0.093 0.000 0.914 892 L HN 0.568 nan 8.230 nan 0.000 0.439 893 N N 1.096 119.754 118.700 -0.071 0.000 2.142 893 N HA -0.238 4.504 4.740 0.003 0.000 0.186 893 N C 1.857 177.308 175.510 -0.098 0.000 1.023 893 N CA 1.493 54.508 53.050 -0.058 0.000 0.852 893 N CB 0.160 38.581 38.487 -0.111 0.000 0.998 893 N HN 0.313 nan 8.380 nan 0.000 0.424 894 K N -0.868 119.325 120.400 -0.345 0.000 2.116 894 K HA -0.062 4.260 4.320 0.003 0.000 0.203 894 K C 1.476 177.787 176.600 -0.482 0.000 1.052 894 K CA 0.926 56.913 56.287 -0.499 0.000 0.952 894 K CB 0.015 32.049 32.500 -0.777 0.000 0.729 894 K HN 0.317 nan 8.250 nan 0.000 0.446 895 H N -1.735 117.284 119.070 -0.085 0.000 2.681 895 H HA 0.171 4.729 4.556 0.003 0.000 0.268 895 H C 0.514 175.818 175.328 -0.039 0.000 0.967 895 H CA 0.463 56.480 56.048 -0.051 0.000 1.233 895 H CB 0.671 30.409 29.762 -0.040 0.000 1.445 895 H HN 0.173 nan 8.280 nan 0.000 0.494 896 C N 1.669 121.005 119.300 0.061 0.000 2.624 896 C HA 0.165 4.626 4.460 0.003 0.000 0.263 896 C C 1.821 176.746 174.990 -0.109 0.000 1.587 896 C CA -0.981 58.016 59.018 -0.036 0.000 1.718 896 C CB -1.990 25.721 27.740 -0.047 0.000 3.050 896 C HN 0.322 nan 8.230 nan 0.000 0.517 897 F N 2.555 122.407 119.950 -0.164 0.000 2.065 897 F HA -0.222 4.307 4.527 0.003 0.000 0.298 897 F C 2.373 178.051 175.800 -0.203 0.000 1.112 897 F CA 2.444 60.338 58.000 -0.176 0.000 1.212 897 F CB -0.111 38.791 39.000 -0.164 0.000 0.975 897 F HN 0.276 nan 8.300 nan 0.000 0.476 898 S N 0.741 116.424 115.700 -0.029 0.000 2.383 898 S HA -0.203 4.269 4.470 0.003 0.000 0.229 898 S C 2.082 176.453 174.600 -0.381 0.000 1.030 898 S CA 1.648 59.767 58.200 -0.134 0.000 1.002 898 S CB -0.567 62.591 63.200 -0.069 0.000 0.829 898 S HN 0.382 nan 8.310 nan 0.000 0.467 899 L N 0.362 121.270 121.223 -0.525 0.000 2.095 899 L HA 0.010 4.352 4.340 0.003 0.000 0.204 899 L C 2.356 178.587 176.870 -1.065 0.000 1.080 899 L CA 0.484 54.730 54.840 -0.991 0.000 0.759 899 L CB -0.474 40.806 42.059 -1.298 0.000 0.914 899 L HN 0.271 nan 8.230 nan 0.000 0.439 900 L N 0.391 121.217 121.223 -0.662 0.000 2.012 900 L HA -0.205 4.137 4.340 0.003 0.000 0.210 900 L C 2.770 179.413 176.870 -0.377 0.000 1.073 900 L CA 2.477 57.097 54.840 -0.367 0.000 0.748 900 L CB -1.013 40.843 42.059 -0.338 0.000 0.891 900 L HN 0.294 nan 8.230 nan 0.000 0.431 901 S N -0.546 114.792 115.700 -0.603 0.000 2.374 901 S HA -0.323 4.149 4.470 0.003 0.000 0.227 901 S C 2.176 176.615 174.600 -0.268 0.000 1.037 901 S CA 2.481 60.377 58.200 -0.506 0.000 1.024 901 S CB -0.739 62.097 63.200 -0.607 0.000 0.861 901 S HN 0.629 nan 8.310 nan 0.000 0.456 902 M N -0.746 118.682 119.600 -0.286 0.000 2.123 902 M HA -0.038 4.444 4.480 0.003 0.000 0.263 902 M C 1.845 178.147 176.300 0.003 0.000 1.069 902 M CA 1.539 56.741 55.300 -0.164 0.000 1.133 902 M CB -0.181 32.279 32.600 -0.233 0.000 1.356 902 M HN 0.577 nan 8.290 nan 0.000 0.415 903 W N 0.774 122.024 121.300 -0.083 0.000 2.355 903 W HA -0.137 4.525 4.660 0.003 0.000 0.309 903 W C 2.822 179.318 176.519 -0.038 0.000 1.206 903 W CA 1.743 59.057 57.345 -0.051 0.000 1.284 903 W CB -1.652 27.781 29.460 -0.044 0.000 1.145 903 W HN 0.351 nan 8.180 nan 0.000 0.502 904 I N 1.179 121.847 120.570 0.162 0.000 2.208 904 I HA -0.280 3.891 4.170 0.003 0.000 0.245 904 I C 2.341 178.502 176.117 0.075 0.000 1.097 904 I CA 3.965 65.316 61.300 0.086 0.000 1.363 904 I CB -1.903 36.084 38.000 -0.022 0.000 1.051 904 I HN 0.152 nan 8.210 nan 0.000 0.413 905 K N 0.208 120.633 120.400 0.042 0.000 2.097 905 K HA -0.216 4.106 4.320 0.003 0.000 0.206 905 K C 1.980 178.617 176.600 0.063 0.000 1.049 905 K CA 1.660 57.971 56.287 0.040 0.000 0.933 905 K CB -1.012 31.495 32.500 0.012 0.000 0.717 905 K HN 0.857 nan 8.250 nan 0.000 0.442 906 E N -0.339 119.908 120.200 0.078 0.000 2.072 906 E HA 0.039 4.391 4.350 0.003 0.000 0.190 906 E C 2.440 179.073 176.600 0.056 0.000 0.982 906 E CA 0.754 57.194 56.400 0.066 0.000 0.803 906 E CB -0.104 29.646 29.700 0.083 0.000 0.755 906 E HN 0.572 nan 8.360 nan 0.000 0.453 907 A N 0.694 123.565 122.820 0.085 0.000 2.067 907 A HA -0.060 4.262 4.320 0.003 0.000 0.219 907 A C 1.955 179.666 177.584 0.211 0.000 1.158 907 A CA 0.840 52.937 52.037 0.099 0.000 0.661 907 A CB -0.185 18.914 19.000 0.165 0.000 0.801 907 A HN 0.135 nan 8.150 nan 0.000 0.452 908 L N -1.845 119.492 121.223 0.191 0.000 2.590 908 L HA 0.044 4.386 4.340 0.003 0.000 0.227 908 L C 3.065 180.033 176.870 0.163 0.000 1.099 908 L CA 0.681 55.658 54.840 0.228 0.000 0.872 908 L CB -0.389 41.784 42.059 0.190 0.000 1.088 908 L HN 0.537 nan 8.230 nan 0.000 0.479 909 Q N 0.982 120.846 119.800 0.106 0.000 2.096 909 Q HA -0.099 4.242 4.340 0.003 0.000 0.204 909 Q C -1.168 174.878 176.000 0.076 0.000 0.982 909 Q CA 0.966 56.814 55.803 0.075 0.000 0.850 909 Q CB -2.607 26.159 28.738 0.046 0.000 0.901 909 Q HN 0.304 nan 8.270 nan 0.000 0.422 910 P HA 0.171 nan 4.420 nan 0.000 0.267 910 P C -2.495 174.876 177.300 0.120 0.000 1.205 910 P CA -1.036 62.103 63.100 0.065 0.000 0.765 910 P CB 1.170 32.872 31.700 0.004 0.000 0.828 911 P HA 0.126 nan 4.420 nan 0.000 0.279 911 P C 0.617 177.982 177.300 0.109 0.000 1.239 911 P CA 0.144 63.300 63.100 0.093 0.000 0.789 911 P CB 0.960 32.697 31.700 0.061 0.000 0.933 912 G N 1.346 110.207 108.800 0.102 0.000 2.176 912 G HA2 -0.253 3.709 3.960 0.003 0.000 0.253 912 G HA3 -0.253 3.709 3.960 0.003 0.000 0.253 912 G C -0.418 174.565 174.900 0.139 0.000 0.979 912 G CA -0.021 45.133 45.100 0.090 0.000 0.641 912 G HN 0.586 nan 8.290 nan 0.000 0.530 913 F N 0.536 120.500 119.950 0.022 0.000 2.556 913 F HA 0.677 5.207 4.527 0.004 0.000 0.314 913 F C -2.109 173.730 175.800 0.065 0.000 1.106 913 F CA -2.403 55.615 58.000 0.029 0.000 0.911 913 F CB 2.092 41.110 39.000 0.030 0.000 1.190 913 F HN -0.127 nan 8.300 nan 0.000 0.448 914 P HA 0.013 nan 4.420 nan 0.000 0.230 914 P C -0.528 176.495 177.300 -0.462 0.000 1.158 914 P CA 0.917 63.387 63.100 -1.049 0.000 0.769 914 P CB 0.337 31.619 31.700 -0.698 0.000 0.807 915 S N -2.243 113.310 115.700 -0.245 0.000 2.564 915 S HA 0.633 5.104 4.470 0.003 0.000 0.274 915 S C 0.838 175.388 174.600 -0.084 0.000 1.124 915 S CA -0.263 57.833 58.200 -0.174 0.000 0.869 915 S CB 1.206 64.258 63.200 -0.247 0.000 1.105 915 S HN -0.072 nan 8.310 nan 0.000 0.472 916 A N 3.209 125.994 122.820 -0.058 0.000 2.014 916 A HA 0.057 4.379 4.320 0.003 0.000 0.218 916 A C 1.907 179.467 177.584 -0.040 0.000 1.163 916 A CA 0.823 52.844 52.037 -0.026 0.000 0.652 916 A CB -0.338 18.652 19.000 -0.017 0.000 0.808 916 A HN 0.844 nan 8.150 nan 0.000 0.449 917 R N -0.545 119.911 120.500 -0.074 0.000 2.189 917 R HA 0.107 4.449 4.340 0.003 0.000 0.218 917 R C -0.177 176.077 176.300 -0.078 0.000 1.074 917 R CA 0.120 56.173 56.100 -0.078 0.000 0.991 917 R CB -0.417 29.818 30.300 -0.108 0.000 0.883 917 R HN 0.411 nan 8.270 nan 0.000 0.457 918 L N 1.744 122.914 121.223 -0.089 0.000 2.410 918 L HA 0.125 4.467 4.340 0.003 0.000 0.273 918 L C 0.864 177.736 176.870 0.004 0.000 1.144 918 L CA -0.251 54.555 54.840 -0.057 0.000 0.863 918 L CB 0.767 42.795 42.059 -0.052 0.000 1.140 918 L HN 0.181 nan 8.230 nan 0.000 0.463 919 S N 4.731 120.442 115.700 0.019 0.000 2.617 919 S HA 0.411 4.883 4.470 0.003 0.000 0.269 919 S C -1.538 173.098 174.600 0.061 0.000 1.292 919 S CA -1.610 56.611 58.200 0.034 0.000 1.010 919 S CB 0.468 63.686 63.200 0.029 0.000 0.944 919 S HN 0.408 nan 8.310 nan 0.000 0.536 920 P HA -0.026 nan 4.420 nan 0.000 0.216 920 P C 1.763 179.109 177.300 0.077 0.000 1.150 920 P CA 2.004 65.146 63.100 0.070 0.000 0.837 920 P CB 0.132 31.865 31.700 0.055 0.000 0.786 921 E N 0.352 120.591 120.200 0.066 0.000 2.077 921 E HA -0.275 4.077 4.350 0.003 0.000 0.193 921 E C 1.962 178.617 176.600 0.093 0.000 0.989 921 E CA 1.506 57.947 56.400 0.068 0.000 0.800 921 E CB -1.630 28.102 29.700 0.053 0.000 0.746 921 E HN 0.449 nan 8.360 nan 0.000 0.452 922 Q N -0.227 119.635 119.800 0.103 0.000 2.084 922 Q HA -0.140 4.202 4.340 0.003 0.000 0.202 922 Q C 2.507 178.644 176.000 0.228 0.000 0.978 922 Q CA 1.640 57.531 55.803 0.148 0.000 0.844 922 Q CB -0.165 28.642 28.738 0.115 0.000 0.898 922 Q HN 0.479 nan 8.270 nan 0.000 0.426 923 K N 0.534 121.062 120.400 0.214 0.000 2.057 923 K HA -0.181 4.141 4.320 0.003 0.000 0.207 923 K C 2.122 178.830 176.600 0.180 0.000 1.049 923 K CA 1.641 58.073 56.287 0.243 0.000 0.931 923 K CB -0.383 32.233 32.500 0.193 0.000 0.714 923 K HN 0.426 nan 8.250 nan 0.000 0.440 924 D N 0.434 120.910 120.400 0.127 0.000 2.219 924 D HA -0.094 4.547 4.640 0.003 0.000 0.205 924 D C 1.908 178.257 176.300 0.081 0.000 0.970 924 D CA 1.516 55.567 54.000 0.085 0.000 0.851 924 D CB -0.737 40.102 40.800 0.065 0.000 0.943 924 D HN 0.195 nan 8.370 nan 0.000 0.488 925 T N -0.829 113.796 114.554 0.117 0.000 2.857 925 T HA 0.039 4.390 4.350 0.003 0.000 0.266 925 T C 1.696 176.476 174.700 0.133 0.000 1.048 925 T CA 0.892 63.060 62.100 0.114 0.000 1.139 925 T CB -0.321 68.627 68.868 0.133 0.000 0.874 925 T HN 0.470 nan 8.240 nan 0.000 0.455 926 F N 2.840 122.767 119.950 -0.037 0.000 2.128 926 F HA -0.086 4.443 4.527 0.003 0.000 0.295 926 F C 2.650 178.352 175.800 -0.163 0.000 1.100 926 F CA 1.392 59.290 58.000 -0.171 0.000 1.260 926 F CB -0.741 37.958 39.000 -0.502 0.000 1.009 926 F HN 0.188 nan 8.300 nan 0.000 0.476 927 S N 0.152 115.764 115.700 -0.146 0.000 2.399 927 S HA -0.214 4.258 4.470 0.003 0.000 0.231 927 S C 2.123 176.616 174.600 -0.177 0.000 1.022 927 S CA 1.385 59.447 58.200 -0.230 0.000 0.983 927 S CB -1.365 61.788 63.200 -0.079 0.000 0.803 927 S HN 0.581 nan 8.310 nan 0.000 0.480 928 Q N 1.117 120.865 119.800 -0.086 0.000 2.119 928 Q HA -0.037 4.305 4.340 0.003 0.000 0.201 928 Q C 2.132 178.091 176.000 -0.068 0.000 0.972 928 Q CA 1.690 57.463 55.803 -0.051 0.000 0.847 928 Q CB -1.220 27.514 28.738 -0.007 0.000 0.903 928 Q HN 0.894 nan 8.270 nan 0.000 0.433 929 Q N -0.531 119.211 119.800 -0.096 0.000 2.119 929 Q HA 0.053 4.395 4.340 0.003 0.000 0.201 929 Q C 2.167 178.078 176.000 -0.148 0.000 0.972 929 Q CA 1.300 57.050 55.803 -0.089 0.000 0.847 929 Q CB -0.011 28.698 28.738 -0.047 0.000 0.903 929 Q HN 0.717 nan 8.270 nan 0.000 0.433 930 I N 0.262 120.648 120.570 -0.307 0.000 2.716 930 I HA -0.146 4.026 4.170 0.003 0.000 0.259 930 I C 1.483 177.508 176.117 -0.152 0.000 1.172 930 I CA 0.684 61.798 61.300 -0.310 0.000 1.478 930 I CB 0.085 37.740 38.000 -0.575 0.000 1.104 930 I HN 0.191 nan 8.210 nan 0.000 0.439 931 L N 1.056 122.208 121.223 -0.119 0.000 2.645 931 L HA 0.082 4.424 4.340 0.003 0.000 0.235 931 L C 0.656 177.672 176.870 0.243 0.000 1.150 931 L CA 0.023 54.865 54.840 0.004 0.000 0.911 931 L CB -0.533 41.477 42.059 -0.080 0.000 1.077 931 L HN 0.130 nan 8.230 nan 0.000 0.438 932 R N 0.436 121.000 120.500 0.107 0.000 2.442 932 R HA 0.120 4.462 4.340 0.003 0.000 0.291 932 R C 1.439 177.765 176.300 0.043 0.000 1.069 932 R CA 0.455 56.590 56.100 0.058 0.000 1.022 932 R CB 0.556 30.862 30.300 0.011 0.000 0.976 932 R HN 0.180 nan 8.270 nan 0.000 0.443 933 E N 2.186 122.306 120.200 -0.132 0.000 2.274 933 E HA -0.073 4.279 4.350 0.003 0.000 0.194 933 E C 1.030 177.499 176.600 -0.218 0.000 0.996 933 E CA 1.593 57.776 56.400 -0.362 0.000 0.840 933 E CB -0.165 29.214 29.700 -0.535 0.000 0.772 933 E HN 0.697 nan 8.360 nan 0.000 0.491 934 R N -0.458 119.969 120.500 -0.122 0.000 2.393 934 R HA 0.803 5.144 4.340 0.003 0.000 0.315 934 R C -0.926 175.364 176.300 -0.016 0.000 0.952 934 R CA 0.038 56.094 56.100 -0.074 0.000 0.842 934 R CB 1.003 31.264 30.300 -0.065 0.000 1.163 934 R HN 0.692 nan 8.270 nan 0.000 0.450 935 V N 2.938 122.871 119.914 0.031 0.000 2.950 935 V HA 0.412 4.534 4.120 0.003 0.000 0.295 935 V C -1.767 174.447 176.094 0.200 0.000 1.297 935 V CA -0.884 61.473 62.300 0.096 0.000 0.962 935 V CB 2.575 34.460 31.823 0.105 0.000 1.081 935 V HN 1.214 nan 8.190 nan 0.000 0.432 936 N N 4.616 123.402 118.700 0.143 0.000 2.472 936 N HA 0.251 4.993 4.740 0.003 0.000 0.277 936 N C 0.666 176.225 175.510 0.081 0.000 1.081 936 N CA -0.152 52.973 53.050 0.125 0.000 0.973 936 N CB 1.125 39.638 38.487 0.042 0.000 1.105 936 N HN 0.752 nan 8.380 nan 0.000 0.470 937 K N 1.319 121.628 120.400 -0.152 0.000 2.293 937 K HA -0.306 4.016 4.320 0.003 0.000 0.204 937 K C 1.989 178.463 176.600 -0.210 0.000 1.045 937 K CA 1.792 57.735 56.287 -0.573 0.000 0.933 937 K CB -0.145 31.642 32.500 -1.189 0.000 0.736 937 K HN 0.672 nan 8.250 nan 0.000 0.463 938 R N 0.186 120.616 120.500 -0.117 0.000 2.148 938 R HA -0.068 4.274 4.340 0.003 0.000 0.227 938 R C 2.364 178.662 176.300 -0.002 0.000 1.103 938 R CA 1.738 57.806 56.100 -0.054 0.000 0.983 938 R CB -1.422 28.856 30.300 -0.037 0.000 0.874 938 R HN 0.554 nan 8.270 nan 0.000 0.451 939 R N 0.097 120.612 120.500 0.024 0.000 2.100 939 R HA 0.231 4.573 4.340 0.003 0.000 0.220 939 R C 2.566 178.914 176.300 0.080 0.000 1.091 939 R CA 1.173 57.305 56.100 0.054 0.000 0.986 939 R CB -1.213 29.123 30.300 0.061 0.000 0.888 939 R HN 0.347 nan 8.270 nan 0.000 0.444 940 V N 1.683 121.657 119.914 0.100 0.000 2.407 940 V HA -0.273 3.849 4.120 0.003 0.000 0.248 940 V C 2.313 178.485 176.094 0.130 0.000 1.055 940 V CA 2.249 64.629 62.300 0.134 0.000 1.049 940 V CB -0.448 31.503 31.823 0.214 0.000 0.662 940 V HN 0.541 nan 8.190 nan 0.000 0.455 941 K N -0.429 120.025 120.400 0.090 0.000 2.148 941 K HA -0.135 4.187 4.320 0.003 0.000 0.204 941 K C 2.254 178.917 176.600 0.104 0.000 1.050 941 K CA 1.115 57.457 56.287 0.092 0.000 0.942 941 K CB -0.124 32.404 32.500 0.047 0.000 0.724 941 K HN 0.466 nan 8.250 nan 0.000 0.446 942 E N 0.718 120.973 120.200 0.092 0.000 2.047 942 E HA -0.164 4.188 4.350 0.003 0.000 0.191 942 E C 2.037 178.718 176.600 0.134 0.000 0.987 942 E CA 1.332 57.788 56.400 0.093 0.000 0.799 942 E CB -0.149 29.595 29.700 0.073 0.000 0.752 942 E HN 0.349 nan 8.360 nan 0.000 0.449 943 M N 0.433 120.132 119.600 0.166 0.000 2.108 943 M HA -0.164 4.318 4.480 0.003 0.000 0.261 943 M C 2.455 178.968 176.300 0.355 0.000 1.066 943 M CA 1.208 56.661 55.300 0.255 0.000 1.107 943 M CB -0.362 32.377 32.600 0.231 0.000 1.356 943 M HN -0.070 nan 8.290 nan 0.000 0.406 944 V N 0.293 120.396 119.914 0.315 0.000 2.427 944 V HA -0.252 3.870 4.120 0.003 0.000 0.248 944 V C 2.339 178.548 176.094 0.190 0.000 1.051 944 V CA 1.754 64.233 62.300 0.299 0.000 1.048 944 V CB -0.793 31.189 31.823 0.264 0.000 0.666 944 V HN 0.461 nan 8.190 nan 0.000 0.456 945 K N 0.581 121.068 120.400 0.147 0.000 2.002 945 K HA -0.241 4.081 4.320 0.003 0.000 0.209 945 K C 2.379 179.022 176.600 0.072 0.000 1.048 945 K CA 2.141 58.484 56.287 0.092 0.000 0.930 945 K CB -0.284 32.262 32.500 0.075 0.000 0.714 945 K HN 0.540 nan 8.250 nan 0.000 0.438 946 E N 0.688 120.946 120.200 0.098 0.000 2.058 946 E HA -0.235 4.117 4.350 0.003 0.000 0.194 946 E C 1.706 178.342 176.600 0.060 0.000 0.997 946 E CA 1.634 58.083 56.400 0.081 0.000 0.801 946 E CB -1.020 28.748 29.700 0.114 0.000 0.746 946 E HN 0.488 nan 8.360 nan 0.000 0.450 947 F N 1.003 120.886 119.950 -0.112 0.000 2.113 947 F HA -0.056 4.472 4.527 0.003 0.000 0.297 947 F C 2.732 178.372 175.800 -0.267 0.000 1.103 947 F CA 2.251 60.073 58.000 -0.298 0.000 1.248 947 F CB -0.525 38.023 39.000 -0.753 0.000 0.999 947 F HN 0.212 nan 8.300 nan 0.000 0.475 948 T N 0.540 114.993 114.554 -0.170 0.000 2.929 948 T HA -0.112 4.240 4.350 0.003 0.000 0.271 948 T C 2.062 176.627 174.700 -0.225 0.000 1.085 948 T CA 1.383 63.347 62.100 -0.226 0.000 1.125 948 T CB -0.345 68.484 68.868 -0.065 0.000 0.874 948 T HN 0.248 nan 8.240 nan 0.000 0.494 949 L N -0.058 121.066 121.223 -0.166 0.000 2.131 949 L HA 0.078 4.420 4.340 0.003 0.000 0.206 949 L C 2.459 179.225 176.870 -0.174 0.000 1.087 949 L CA 0.835 55.597 54.840 -0.129 0.000 0.767 949 L CB -0.422 41.594 42.059 -0.071 0.000 0.917 949 L HN 0.279 nan 8.230 nan 0.000 0.441 950 L N -0.847 120.231 121.223 -0.241 0.000 2.056 950 L HA -0.222 4.120 4.340 0.003 0.000 0.207 950 L C 2.729 179.411 176.870 -0.313 0.000 1.078 950 L CA 1.031 55.719 54.840 -0.254 0.000 0.749 950 L CB -0.657 41.233 42.059 -0.281 0.000 0.901 950 L HN 0.385 nan 8.230 nan 0.000 0.433 951 C N -0.174 118.843 119.300 -0.473 0.000 2.411 951 C HA -0.134 4.327 4.460 0.003 0.000 0.279 951 C C 2.819 177.655 174.990 -0.257 0.000 1.288 951 C CA 0.814 59.576 59.018 -0.426 0.000 1.764 951 C CB -1.113 26.304 27.740 -0.539 0.000 1.974 951 C HN 0.463 nan 8.230 nan 0.000 0.498 952 R N -0.071 120.302 120.500 -0.213 0.000 2.175 952 R HA 0.396 4.738 4.340 0.003 0.000 0.202 952 R C 1.138 177.373 176.300 -0.108 0.000 1.018 952 R CA 0.797 56.812 56.100 -0.141 0.000 1.029 952 R CB -0.068 30.161 30.300 -0.118 0.000 0.959 952 R HN 0.518 nan 8.270 nan 0.000 0.480 953 G N -0.381 108.352 108.800 -0.110 0.000 2.498 953 G HA2 0.253 4.215 3.960 0.003 0.000 0.651 953 G HA3 0.253 4.215 3.960 0.003 0.000 0.651 953 G C -0.931 173.931 174.900 -0.063 0.000 1.284 953 G CA -0.707 44.345 45.100 -0.081 0.000 0.950 953 G HN 0.589 nan 8.290 nan 0.000 0.511 954 L N 0.000 121.194 121.223 -0.048 0.000 2.949 954 L HA 0.000 4.342 4.340 0.003 0.000 0.249 954 L CA 0.000 nan 54.840 nan 0.000 0.813 954 L CB 0.000 nan 42.059 nan 0.000 0.961 954 L HN 0.000 nan 8.230 nan 0.000 0.502