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 2ush_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKXXXXXYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVXX DATA SEQUENCE XXXXSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKXXXX DATA SEQUENCE XXXKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSW 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.055 175.900 0.258 0.000 1.272 26 Y CA 0.000 58.199 58.100 0.165 0.000 1.940 26 Y CB 0.000 38.557 38.460 0.162 0.000 1.050 27 E N 2.293 122.821 120.200 0.545 0.000 2.366 27 E HA 0.167 4.517 4.350 0.000 0.000 0.266 27 E C -0.804 176.036 176.600 0.401 0.000 1.015 27 E CA -0.078 56.513 56.400 0.318 0.000 0.906 27 E CB 0.467 30.287 29.700 0.199 0.000 0.979 27 E HN 0.524 nan 8.360 nan 0.000 0.443 28 Q N 2.751 122.693 119.800 0.236 0.000 2.286 28 Q HA -0.081 4.259 4.340 0.000 0.000 0.290 28 Q C -0.046 176.062 176.000 0.179 0.000 1.049 28 Q CA 0.516 56.456 55.803 0.227 0.000 0.923 28 Q CB 0.291 29.088 28.738 0.098 0.000 1.183 28 Q HN 0.581 nan 8.270 nan 0.000 0.383 29 D N 1.390 121.892 120.400 0.171 0.000 2.699 29 D HA -0.173 4.467 4.640 0.000 0.000 0.239 29 D C -0.935 175.387 176.300 0.037 0.000 1.136 29 D CA 1.011 55.056 54.000 0.074 0.000 0.668 29 D CB -0.196 40.634 40.800 0.050 0.000 1.060 29 D HN 0.552 nan 8.370 nan 0.000 0.429 30 K N 0.217 120.638 120.400 0.035 0.000 2.422 30 K HA 0.412 4.732 4.320 0.000 0.000 0.251 30 K C -0.991 175.530 176.600 -0.133 0.000 0.933 30 K CA -0.563 55.667 56.287 -0.095 0.000 0.798 30 K CB 1.622 33.990 32.500 -0.220 0.000 1.238 30 K HN -0.099 nan 8.250 nan 0.000 0.428 31 T N 3.800 118.264 114.554 -0.149 0.000 2.727 31 T HA 0.265 4.615 4.350 0.000 0.000 0.298 31 T C -1.043 173.604 174.700 -0.087 0.000 0.942 31 T CA -0.082 61.981 62.100 -0.061 0.000 0.997 31 T CB -0.197 68.656 68.868 -0.025 0.000 0.917 31 T HN 0.292 nan 8.240 nan 0.000 0.487 32 Y N 2.466 122.837 120.300 0.119 0.000 2.323 32 Y HA 0.395 4.945 4.550 0.000 0.000 0.331 32 Y C 0.892 176.862 175.900 0.116 0.000 1.092 32 Y CA -0.846 57.328 58.100 0.123 0.000 1.150 32 Y CB 1.068 39.620 38.460 0.154 0.000 1.200 32 Y HN 0.356 nan 8.280 nan 0.000 0.472 33 K N 4.873 125.406 120.400 0.221 0.000 2.213 33 K HA 0.640 4.961 4.320 0.000 0.000 0.270 33 K C -1.172 175.513 176.600 0.142 0.000 1.002 33 K CA -0.329 56.053 56.287 0.158 0.000 0.868 33 K CB 1.364 33.921 32.500 0.095 0.000 1.093 33 K HN 0.551 nan 8.250 nan 0.000 0.454 34 I N 1.877 122.539 120.570 0.153 0.000 2.499 34 I HA 0.215 4.385 4.170 0.000 0.000 0.288 34 I C -0.543 175.672 176.117 0.165 0.000 1.048 34 I CA -0.738 60.631 61.300 0.115 0.000 1.062 34 I CB 2.414 40.448 38.000 0.057 0.000 1.238 34 I HN 0.473 nan 8.210 nan 0.000 0.426 35 T N 5.313 119.925 114.554 0.096 0.000 2.797 35 T HA 0.495 4.846 4.350 0.000 0.000 0.279 35 T C -0.328 174.417 174.700 0.075 0.000 0.991 35 T CA -0.454 61.699 62.100 0.088 0.000 0.979 35 T CB 1.892 70.772 68.868 0.019 0.000 0.943 35 T HN 0.181 nan 8.240 nan 0.000 0.444 36 V N 5.351 125.344 119.914 0.131 0.000 2.384 36 V HA 0.459 4.579 4.120 0.000 0.000 0.287 36 V C -0.225 175.928 176.094 0.099 0.000 1.020 36 V CA -0.775 61.583 62.300 0.096 0.000 0.850 36 V CB 1.174 33.091 31.823 0.157 0.000 0.987 36 V HN 0.713 nan 8.190 nan 0.000 0.436 37 L N 5.927 127.173 121.223 0.039 0.000 2.322 37 L HA 0.762 5.102 4.340 0.000 0.000 0.279 37 L C -0.340 176.599 176.870 0.114 0.000 1.036 37 L CA -0.565 54.296 54.840 0.035 0.000 0.807 37 L CB 1.574 43.578 42.059 -0.091 0.000 1.226 37 L HN 0.949 nan 8.230 nan 0.000 0.433 38 H N -0.412 118.644 119.070 -0.024 0.000 3.046 38 H HA 0.796 5.352 4.556 0.000 0.000 0.361 38 H C -1.064 174.308 175.328 0.073 0.000 1.235 38 H CA -0.823 55.242 56.048 0.028 0.000 1.146 38 H CB 1.960 31.759 29.762 0.063 0.000 1.859 38 H HN 0.554 nan 8.280 nan 0.000 0.548 39 T N 0.445 115.063 114.554 0.107 0.000 2.812 39 T HA 0.588 4.938 4.350 0.000 0.000 0.294 39 T C -1.186 173.602 174.700 0.146 0.000 1.159 39 T CA -0.971 61.175 62.100 0.076 0.000 1.008 39 T CB 2.127 71.082 68.868 0.146 0.000 1.289 39 T HN 1.122 nan 8.240 nan 0.000 0.514 40 N N -0.901 117.868 118.700 0.115 0.000 2.961 40 N HA 0.258 4.998 4.740 0.000 0.000 0.245 40 N C -1.772 173.791 175.510 0.088 0.000 1.404 40 N CA -0.693 52.431 53.050 0.123 0.000 0.880 40 N CB 0.835 39.413 38.487 0.150 0.000 1.461 40 N HN 0.866 nan 8.380 nan 0.000 0.510 41 D N -0.339 120.102 120.400 0.069 0.000 2.697 41 D HA -0.216 4.424 4.640 0.000 0.000 0.235 41 D C 0.724 177.029 176.300 0.008 0.000 1.167 41 D CA 1.115 55.078 54.000 -0.062 0.000 0.656 41 D CB -1.241 39.622 40.800 0.104 0.000 1.025 41 D HN 0.688 nan 8.370 nan 0.000 0.419 42 H N 0.837 119.853 119.070 -0.090 0.000 2.352 42 H HA -0.144 4.412 4.556 0.000 0.000 0.299 42 H C 0.824 176.269 175.328 0.195 0.000 1.097 42 H CA 2.307 58.368 56.048 0.021 0.000 1.311 42 H CB 0.139 29.849 29.762 -0.086 0.000 1.377 42 H HN 0.464 nan 8.280 nan 0.000 0.504 43 H N -0.883 118.239 119.070 0.087 0.000 2.604 43 H HA -0.160 4.396 4.556 0.000 0.000 0.321 43 H C 1.515 176.742 175.328 -0.168 0.000 1.132 43 H CA 1.270 57.333 56.048 0.025 0.000 1.129 43 H CB -1.715 28.120 29.762 0.122 0.000 1.526 43 H HN 0.819 nan 8.280 nan 0.000 0.415 44 G N 0.018 108.761 108.800 -0.094 0.000 2.184 44 G HA2 -0.327 3.633 3.960 0.000 0.000 0.264 44 G HA3 -0.327 3.633 3.960 0.000 0.000 0.264 44 G C 0.316 174.982 174.900 -0.390 0.000 0.975 44 G CA 0.390 45.408 45.100 -0.137 0.000 0.642 44 G HN 0.743 nan 8.290 nan 0.000 0.536 45 H N 0.404 119.102 119.070 -0.621 0.000 2.768 45 H HA 0.258 4.814 4.556 0.000 0.000 0.228 45 H C 1.767 177.042 175.328 -0.089 0.000 1.812 45 H CA 0.350 56.128 56.048 -0.450 0.000 1.273 45 H CB -0.776 28.675 29.762 -0.519 0.000 1.631 45 H HN 0.616 nan 8.280 nan 0.000 0.526 46 F N -1.925 118.136 119.950 0.185 0.000 2.502 46 F HA 0.050 4.577 4.527 0.000 0.000 0.298 46 F C 0.726 176.715 175.800 0.315 0.000 1.111 46 F CA -0.292 57.898 58.000 0.317 0.000 1.445 46 F CB 0.217 39.349 39.000 0.219 0.000 1.081 46 F HN 0.162 nan 8.300 nan 0.000 0.558 47 W N 4.505 125.526 121.300 -0.466 0.000 2.647 47 W HA 0.396 5.057 4.660 0.000 0.000 0.353 47 W C -0.138 176.312 176.519 -0.115 0.000 1.080 47 W CA -1.541 55.639 57.345 -0.275 0.000 1.208 47 W CB 1.464 30.604 29.460 -0.533 0.000 1.396 47 W HN -0.092 nan 8.180 nan 0.000 0.573 48 R N 2.673 122.938 120.500 -0.392 0.000 2.784 48 R HA 0.057 4.397 4.340 0.000 0.000 0.266 48 R C 0.417 176.622 176.300 -0.158 0.000 1.044 48 R CA -0.139 55.787 56.100 -0.289 0.000 1.151 48 R CB 0.143 30.211 30.300 -0.388 0.000 1.037 48 R HN 0.457 nan 8.270 nan 0.000 0.478 49 N N 1.182 119.656 118.700 -0.377 0.000 2.443 49 N HA -0.036 4.704 4.740 0.000 0.000 0.294 49 N C 0.220 175.579 175.510 -0.253 0.000 1.289 49 N CA -0.233 52.662 53.050 -0.259 0.000 0.966 49 N CB 0.107 38.412 38.487 -0.302 0.000 1.122 49 N HN 0.680 nan 8.380 nan 0.000 0.569 50 E N -0.840 119.132 120.200 -0.380 0.000 2.070 50 E HA -0.180 4.170 4.350 0.000 0.000 0.197 50 E C 0.834 177.134 176.600 -0.500 0.000 1.004 50 E CA 1.778 57.871 56.400 -0.512 0.000 0.805 50 E CB -0.729 28.445 29.700 -0.876 0.000 0.744 50 E HN 0.625 nan 8.360 nan 0.000 0.451 51 Y N -0.125 120.135 120.300 -0.067 0.000 2.465 51 Y HA 0.346 4.896 4.550 0.000 0.000 0.311 51 Y C 1.491 177.328 175.900 -0.106 0.000 1.204 51 Y CA 0.101 58.158 58.100 -0.071 0.000 1.272 51 Y CB -0.317 38.107 38.460 -0.060 0.000 1.083 51 Y HN 0.130 nan 8.280 nan 0.000 0.508 52 G N 0.337 109.083 108.800 -0.090 0.000 2.179 52 G HA2 -0.302 3.659 3.960 0.000 0.000 0.257 52 G HA3 -0.302 3.659 3.960 0.000 0.000 0.257 52 G C 0.033 174.833 174.900 -0.167 0.000 1.010 52 G CA 0.167 45.195 45.100 -0.119 0.000 0.736 52 G HN 0.464 nan 8.290 nan 0.000 0.513 53 E N -0.734 119.298 120.200 -0.280 0.000 2.314 53 E HA 0.527 4.877 4.350 0.000 0.000 0.262 53 E C 1.202 177.450 176.600 -0.586 0.000 1.093 53 E CA -0.517 55.666 56.400 -0.362 0.000 0.908 53 E CB 0.619 30.100 29.700 -0.365 0.000 1.091 53 E HN 0.868 nan 8.360 nan 0.000 0.425 54 Y N -0.024 120.279 120.300 0.004 0.000 1.388 54 Y HA -0.352 4.198 4.550 0.000 0.000 0.107 54 Y C 0.586 176.472 175.900 -0.023 0.000 0.606 54 Y CA 0.569 58.669 58.100 0.000 0.000 0.451 54 Y CB -1.907 36.572 38.460 0.031 0.000 0.553 54 Y HN 0.980 nan 8.280 nan 0.000 0.828 55 G N -1.438 107.587 108.800 0.375 0.000 2.675 55 G HA2 -0.005 3.955 3.960 0.000 0.000 0.686 55 G HA3 -0.005 3.955 3.960 0.000 0.000 0.686 55 G C -0.221 174.768 174.900 0.148 0.000 1.215 55 G CA -0.376 44.828 45.100 0.174 0.000 0.777 55 G HN 1.205 nan 8.290 nan 0.000 0.638 56 L N 0.963 122.287 121.223 0.169 0.000 2.240 56 L HA 0.095 4.435 4.340 0.000 0.000 0.211 56 L C 3.192 180.099 176.870 0.060 0.000 1.106 56 L CA 1.705 56.629 54.840 0.140 0.000 0.793 56 L CB -0.573 41.588 42.059 0.170 0.000 0.927 56 L HN 0.900 nan 8.230 nan 0.000 0.446 57 A N 0.293 123.109 122.820 -0.007 0.000 1.933 57 A HA -0.136 4.184 4.320 0.000 0.000 0.218 57 A C 2.525 180.087 177.584 -0.035 0.000 1.175 57 A CA 1.699 53.712 52.037 -0.041 0.000 0.628 57 A CB -0.478 18.444 19.000 -0.130 0.000 0.814 57 A HN 0.383 nan 8.150 nan 0.000 0.444 58 A N -0.905 121.891 122.820 -0.040 0.000 1.897 58 A HA -0.150 4.171 4.320 0.000 0.000 0.215 58 A C 2.174 179.759 177.584 0.002 0.000 1.181 58 A CA 1.585 53.607 52.037 -0.024 0.000 0.620 58 A CB -0.600 18.385 19.000 -0.025 0.000 0.821 58 A HN 0.619 nan 8.150 nan 0.000 0.443 59 Q N -0.078 119.738 119.800 0.028 0.000 2.152 59 Q HA -0.259 4.082 4.340 0.000 0.000 0.206 59 Q C 2.077 178.083 176.000 0.010 0.000 0.985 59 Q CA 2.136 57.959 55.803 0.034 0.000 0.863 59 Q CB -0.154 28.630 28.738 0.077 0.000 0.904 59 Q HN 0.692 nan 8.270 nan 0.000 0.422 60 K N -0.849 119.559 120.400 0.014 0.000 2.103 60 K HA -0.090 4.230 4.320 0.000 0.000 0.204 60 K C 1.836 178.430 176.600 -0.010 0.000 1.052 60 K CA 1.592 57.881 56.287 0.003 0.000 0.945 60 K CB 0.040 32.551 32.500 0.018 0.000 0.722 60 K HN 0.161 nan 8.250 nan 0.000 0.443 61 T N 1.978 116.527 114.554 -0.010 0.000 2.777 61 T HA -0.139 4.211 4.350 0.000 0.000 0.266 61 T C 1.637 176.326 174.700 -0.018 0.000 1.040 61 T CA 1.148 63.240 62.100 -0.013 0.000 1.141 61 T CB -0.183 68.676 68.868 -0.015 0.000 0.868 61 T HN 0.149 nan 8.240 nan 0.000 0.444 62 L N 1.516 122.727 121.223 -0.019 0.000 1.989 62 L HA -0.056 4.284 4.340 0.000 0.000 0.211 62 L C 2.434 179.281 176.870 -0.039 0.000 1.071 62 L CA 1.690 56.515 54.840 -0.025 0.000 0.749 62 L CB -0.921 41.125 42.059 -0.021 0.000 0.890 62 L HN 0.090 nan 8.230 nan 0.000 0.431 63 V N -0.042 119.842 119.914 -0.049 0.000 2.358 63 V HA -0.260 3.860 4.120 0.000 0.000 0.246 63 V C 2.280 178.340 176.094 -0.057 0.000 1.047 63 V CA 1.851 64.109 62.300 -0.072 0.000 1.035 63 V CB -0.904 30.854 31.823 -0.108 0.000 0.658 63 V HN 0.432 nan 8.190 nan 0.000 0.452 64 D N 0.826 121.202 120.400 -0.041 0.000 2.149 64 D HA -0.119 4.521 4.640 0.000 0.000 0.198 64 D C 2.199 178.484 176.300 -0.026 0.000 0.990 64 D CA 1.588 55.571 54.000 -0.029 0.000 0.839 64 D CB -0.623 40.166 40.800 -0.017 0.000 0.948 64 D HN 0.469 nan 8.370 nan 0.000 0.460 65 G N 0.947 109.731 108.800 -0.027 0.000 2.433 65 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 65 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 65 G C 1.768 176.651 174.900 -0.028 0.000 1.186 65 G CA 0.405 45.490 45.100 -0.024 0.000 0.779 65 G HN 0.285 nan 8.290 nan 0.000 0.543 66 I N 0.092 120.640 120.570 -0.037 0.000 2.286 66 I HA -0.131 4.039 4.170 0.000 0.000 0.248 66 I C 3.038 179.134 176.117 -0.035 0.000 1.115 66 I CA 0.796 62.072 61.300 -0.040 0.000 1.392 66 I CB -0.214 37.754 38.000 -0.054 0.000 1.065 66 I HN 0.102 nan 8.210 nan 0.000 0.418 67 R N 0.865 121.343 120.500 -0.037 0.000 2.073 67 R HA -0.190 4.150 4.340 0.000 0.000 0.234 67 R C 2.358 178.648 176.300 -0.018 0.000 1.134 67 R CA 1.420 57.501 56.100 -0.030 0.000 0.952 67 R CB -0.327 29.953 30.300 -0.033 0.000 0.850 67 R HN 0.284 nan 8.270 nan 0.000 0.433 68 K N 1.338 121.728 120.400 -0.016 0.000 2.001 68 K HA -0.274 4.046 4.320 0.000 0.000 0.214 68 K C 2.089 178.684 176.600 -0.009 0.000 1.050 68 K CA 2.093 58.374 56.287 -0.010 0.000 0.934 68 K CB -0.166 32.328 32.500 -0.010 0.000 0.718 68 K HN 0.165 nan 8.250 nan 0.000 0.443 69 E N 0.155 120.347 120.200 -0.013 0.000 2.048 69 E HA -0.230 4.120 4.350 0.000 0.000 0.202 69 E C 1.873 178.468 176.600 -0.009 0.000 1.021 69 E CA 2.247 58.639 56.400 -0.012 0.000 0.825 69 E CB -0.110 29.579 29.700 -0.018 0.000 0.756 69 E HN 0.231 nan 8.360 nan 0.000 0.454 70 V N 1.174 121.082 119.914 -0.010 0.000 2.490 70 V HA -0.237 3.883 4.120 0.000 0.000 0.250 70 V C 2.480 178.577 176.094 0.005 0.000 1.061 70 V CA 1.708 64.006 62.300 -0.003 0.000 1.064 70 V CB -0.772 31.047 31.823 -0.005 0.000 0.670 70 V HN 0.488 nan 8.190 nan 0.000 0.461 71 A N 0.096 122.918 122.820 0.003 0.000 1.930 71 A HA -0.032 4.288 4.320 0.000 0.000 0.217 71 A C 2.420 180.010 177.584 0.010 0.000 1.175 71 A CA 1.727 53.769 52.037 0.009 0.000 0.627 71 A CB -0.657 18.347 19.000 0.007 0.000 0.815 71 A HN 0.555 nan 8.150 nan 0.000 0.443 72 A N -0.032 122.792 122.820 0.005 0.000 2.019 72 A HA -0.147 4.174 4.320 0.000 0.000 0.219 72 A C 1.744 179.332 177.584 0.006 0.000 1.164 72 A CA 1.541 53.581 52.037 0.005 0.000 0.644 72 A CB -0.408 18.592 19.000 0.001 0.000 0.805 72 A HN 0.650 nan 8.150 nan 0.000 0.449 73 E N -1.488 118.716 120.200 0.007 0.000 2.489 73 E HA 0.281 4.632 4.350 0.000 0.000 0.193 73 E C 0.962 177.570 176.600 0.013 0.000 1.057 73 E CA 0.205 56.609 56.400 0.007 0.000 0.866 73 E CB -0.041 29.663 29.700 0.006 0.000 0.916 73 E HN 0.708 nan 8.360 nan 0.000 0.500 74 G N 1.320 110.131 108.800 0.018 0.000 2.160 74 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 74 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 74 G C 0.346 175.272 174.900 0.043 0.000 1.022 74 G CA -0.070 45.047 45.100 0.028 0.000 0.741 74 G HN 0.468 nan 8.290 nan 0.000 0.508 75 G N -1.056 107.768 108.800 0.041 0.000 2.552 75 G HA2 0.736 4.697 3.960 0.000 0.000 0.318 75 G HA3 0.736 4.697 3.960 0.000 0.000 0.318 75 G C -0.122 174.808 174.900 0.050 0.000 1.240 75 G CA 0.303 45.437 45.100 0.057 0.000 1.002 75 G HN 0.782 nan 8.290 nan 0.000 0.493 76 S N -1.677 114.054 115.700 0.052 0.000 2.578 76 S HA 0.680 5.150 4.470 0.000 0.000 0.301 76 S C -0.513 174.089 174.600 0.004 0.000 1.091 76 S CA -0.467 57.749 58.200 0.026 0.000 1.032 76 S CB 1.905 65.118 63.200 0.022 0.000 1.064 76 S HN 0.467 nan 8.310 nan 0.000 0.508 77 V N 2.592 122.493 119.914 -0.022 0.000 2.680 77 V HA 0.655 4.775 4.120 0.000 0.000 0.309 77 V C -1.083 174.954 176.094 -0.094 0.000 1.052 77 V CA -0.707 61.565 62.300 -0.048 0.000 0.908 77 V CB 1.742 33.532 31.823 -0.055 0.000 1.001 77 V HN 0.683 nan 8.190 nan 0.000 0.431 78 L N 4.519 125.670 121.223 -0.119 0.000 2.438 78 L HA 0.696 5.036 4.340 0.000 0.000 0.270 78 L C -1.371 175.383 176.870 -0.192 0.000 0.972 78 L CA -0.384 54.333 54.840 -0.206 0.000 0.831 78 L CB 1.788 43.711 42.059 -0.227 0.000 1.273 78 L HN 0.623 nan 8.230 nan 0.000 0.405 79 L N 5.956 127.024 121.223 -0.259 0.000 2.294 79 L HA 0.671 5.011 4.340 0.000 0.000 0.283 79 L C -1.553 175.169 176.870 -0.247 0.000 1.015 79 L CA -0.066 54.594 54.840 -0.300 0.000 0.831 79 L CB 1.028 42.795 42.059 -0.487 0.000 1.217 79 L HN 0.549 nan 8.230 nan 0.000 0.420 80 L N 3.253 124.423 121.223 -0.089 0.000 2.333 80 L HA 0.669 5.009 4.340 0.000 0.000 0.269 80 L C -0.093 176.897 176.870 0.200 0.000 1.010 80 L CA -0.688 54.183 54.840 0.051 0.000 0.818 80 L CB 2.069 44.157 42.059 0.048 0.000 1.306 80 L HN 0.615 nan 8.230 nan 0.000 0.430 81 S N -0.120 115.709 115.700 0.216 0.000 2.502 81 S HA 0.503 4.973 4.470 0.000 0.000 0.304 81 S C 0.629 175.327 174.600 0.162 0.000 1.097 81 S CA -0.372 57.940 58.200 0.186 0.000 1.045 81 S CB 1.604 64.809 63.200 0.008 0.000 1.019 81 S HN 0.801 nan 8.310 nan 0.000 0.481 82 G N 2.380 111.289 108.800 0.183 0.000 3.124 82 G HA2 0.479 4.439 3.960 0.000 0.000 0.212 82 G HA3 0.479 4.439 3.960 0.000 0.000 0.212 82 G C 0.904 175.989 174.900 0.307 0.000 1.181 82 G CA 0.199 45.431 45.100 0.220 0.000 0.803 82 G HN 1.537 nan 8.290 nan 0.000 0.529 83 G N 0.007 108.911 108.800 0.174 0.000 2.685 83 G HA2 0.084 4.044 3.960 0.000 0.000 0.387 83 G HA3 0.084 4.044 3.960 0.000 0.000 0.387 83 G C -0.315 174.573 174.900 -0.020 0.000 1.324 83 G CA -0.216 44.926 45.100 0.070 0.000 0.878 83 G HN 0.691 nan 8.290 nan 0.000 0.527 84 D N -1.134 119.162 120.400 -0.173 0.000 2.848 84 D HA -0.131 4.509 4.640 0.000 0.000 0.245 84 D C 1.438 177.582 176.300 -0.260 0.000 1.122 84 D CA 1.029 54.909 54.000 -0.199 0.000 0.769 84 D CB -0.689 39.967 40.800 -0.241 0.000 1.025 84 D HN 0.582 nan 8.370 nan 0.000 0.423 85 I N -0.694 119.820 120.570 -0.092 0.000 2.585 85 I HA -0.029 4.141 4.170 0.000 0.000 0.254 85 I C 1.384 177.543 176.117 0.070 0.000 1.129 85 I CA 0.591 61.845 61.300 -0.077 0.000 1.455 85 I CB -0.395 37.368 38.000 -0.395 0.000 1.111 85 I HN 0.171 nan 8.210 nan 0.000 0.433 86 N N 1.992 120.785 118.700 0.155 0.000 2.525 86 N HA 0.094 4.834 4.740 0.000 0.000 0.271 86 N C -0.309 175.399 175.510 0.330 0.000 1.194 86 N CA 0.641 53.845 53.050 0.257 0.000 0.964 86 N CB 0.713 39.372 38.487 0.287 0.000 1.126 86 N HN 0.112 nan 8.380 nan 0.000 0.452 87 T N -0.003 114.701 114.554 0.251 0.000 0.609 87 T HA -0.012 4.339 4.350 0.000 0.000 0.766 87 T C 0.792 175.516 174.700 0.041 0.000 0.991 87 T CA 0.808 63.009 62.100 0.168 0.000 4.041 87 T CB -1.102 67.859 68.868 0.154 0.000 2.283 87 T HN 0.975 nan 8.240 nan 0.000 0.395 88 G N 1.042 109.822 108.800 -0.034 0.000 3.465 88 G HA2 0.305 4.266 3.960 0.000 0.000 0.219 88 G HA3 0.305 4.266 3.960 0.000 0.000 0.219 88 G C -0.371 174.352 174.900 -0.296 0.000 0.984 88 G CA 0.199 45.201 45.100 -0.163 0.000 0.864 88 G HN 1.324 nan 8.290 nan 0.000 0.485 89 V N 1.384 121.134 119.914 -0.273 0.000 2.623 89 V HA 0.405 4.525 4.120 0.000 0.000 0.304 89 V C -1.543 174.461 176.094 -0.150 0.000 1.054 89 V CA -1.103 61.002 62.300 -0.325 0.000 0.882 89 V CB 2.454 33.956 31.823 -0.534 0.000 1.002 89 V HN -0.002 nan 8.190 nan 0.000 0.424 90 P HA -0.193 nan 4.420 nan 0.000 0.215 90 P C 1.250 178.512 177.300 -0.064 0.000 1.163 90 P CA 1.533 64.537 63.100 -0.159 0.000 0.894 90 P CB 0.375 31.787 31.700 -0.480 0.000 0.791 91 E N -1.061 119.093 120.200 -0.077 0.000 2.160 91 E HA -0.156 4.195 4.350 0.000 0.000 0.195 91 E C 2.142 178.873 176.600 0.219 0.000 0.991 91 E CA 1.490 57.929 56.400 0.064 0.000 0.810 91 E CB -0.920 28.830 29.700 0.083 0.000 0.742 91 E HN 0.178 nan 8.360 nan 0.000 0.466 92 S N -0.065 115.780 115.700 0.242 0.000 2.356 92 S HA -0.116 4.354 4.470 0.000 0.000 0.219 92 S C 1.330 176.018 174.600 0.146 0.000 1.036 92 S CA 0.903 59.253 58.200 0.249 0.000 0.965 92 S CB -0.204 63.154 63.200 0.264 0.000 0.864 92 S HN 0.107 nan 8.310 nan 0.000 0.471 93 D N 1.775 122.251 120.400 0.127 0.000 2.106 93 D HA -0.102 4.538 4.640 0.000 0.000 0.191 93 D C 1.749 178.139 176.300 0.151 0.000 0.997 93 D CA 0.986 55.075 54.000 0.148 0.000 0.834 93 D CB -0.643 40.251 40.800 0.157 0.000 0.956 93 D HN 0.292 nan 8.370 nan 0.000 0.448 94 L N 0.211 121.521 121.223 0.145 0.000 2.551 94 L HA -0.105 4.236 4.340 0.000 0.000 0.230 94 L C 1.345 178.287 176.870 0.119 0.000 1.163 94 L CA 1.377 56.300 54.840 0.137 0.000 0.826 94 L CB -0.685 41.455 42.059 0.135 0.000 0.943 94 L HN 0.124 nan 8.230 nan 0.000 0.452 95 Q N -1.243 118.626 119.800 0.114 0.000 2.135 95 Q HA 0.109 4.449 4.340 0.000 0.000 0.231 95 Q C -0.517 175.559 176.000 0.127 0.000 0.817 95 Q CA -0.302 55.560 55.803 0.098 0.000 1.073 95 Q CB 0.731 29.497 28.738 0.047 0.000 1.176 95 Q HN 0.222 nan 8.270 nan 0.000 0.478 96 D N 1.002 121.507 120.400 0.174 0.000 2.701 96 D HA -0.256 4.384 4.640 0.000 0.000 0.235 96 D C 0.352 176.840 176.300 0.313 0.000 1.155 96 D CA 1.149 55.295 54.000 0.243 0.000 0.649 96 D CB -1.051 39.921 40.800 0.287 0.000 1.050 96 D HN 0.607 nan 8.370 nan 0.000 0.425 97 A N -0.601 122.344 122.820 0.207 0.000 2.798 97 A HA -0.381 3.939 4.320 0.000 0.000 0.282 97 A C 1.551 179.206 177.584 0.119 0.000 1.464 97 A CA 2.306 54.463 52.037 0.200 0.000 0.844 97 A CB -1.871 17.343 19.000 0.357 0.000 1.006 97 A HN 0.631 nan 8.150 nan 0.000 0.577 98 E N 0.326 120.390 120.200 -0.227 0.000 2.031 98 E HA -0.165 4.186 4.350 0.000 0.000 0.193 98 E C -0.119 175.932 176.600 -0.915 0.000 0.994 98 E CA 1.235 57.123 56.400 -0.855 0.000 0.800 98 E CB -0.433 28.587 29.700 -1.134 0.000 0.752 98 E HN 0.631 nan 8.360 nan 0.000 0.447 99 P HA -0.179 nan 4.420 nan 0.000 0.218 99 P C 0.479 177.367 177.300 -0.687 0.000 1.148 99 P CA 1.406 63.653 63.100 -1.422 0.000 0.822 99 P CB -0.047 30.530 31.700 -1.871 0.000 0.784 100 D N -0.340 119.817 120.400 -0.406 0.000 2.097 100 D HA -0.117 4.523 4.640 0.000 0.000 0.197 100 D C 2.034 178.182 176.300 -0.254 0.000 0.984 100 D CA 1.115 54.998 54.000 -0.194 0.000 0.826 100 D CB -0.646 40.114 40.800 -0.067 0.000 0.973 100 D HN 0.217 nan 8.370 nan 0.000 0.460 101 F N 1.417 121.285 119.950 -0.138 0.000 2.234 101 F HA -0.020 4.507 4.527 0.000 0.000 0.299 101 F C 2.631 178.409 175.800 -0.037 0.000 1.087 101 F CA 0.771 58.759 58.000 -0.021 0.000 1.340 101 F CB -0.157 38.886 39.000 0.072 0.000 1.031 101 F HN -0.220 nan 8.300 nan 0.000 0.500 102 R N -0.138 120.348 120.500 -0.023 0.000 2.115 102 R HA -0.042 4.298 4.340 0.000 0.000 0.226 102 R C 2.537 178.841 176.300 0.008 0.000 1.100 102 R CA 0.990 57.063 56.100 -0.046 0.000 0.980 102 R CB -0.916 29.268 30.300 -0.193 0.000 0.875 102 R HN 0.380 nan 8.270 nan 0.000 0.445 103 G N 0.848 109.622 108.800 -0.043 0.000 2.394 103 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 103 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 103 G C 1.442 176.375 174.900 0.055 0.000 1.165 103 G CA 0.304 45.410 45.100 0.010 0.000 0.784 103 G HN 0.114 nan 8.290 nan 0.000 0.535 104 M N 0.802 120.410 119.600 0.014 0.000 2.108 104 M HA -0.076 4.404 4.480 0.000 0.000 0.261 104 M C 2.398 178.867 176.300 0.281 0.000 1.066 104 M CA 1.057 56.394 55.300 0.061 0.000 1.107 104 M CB -0.396 32.056 32.600 -0.246 0.000 1.356 104 M HN 0.109 nan 8.290 nan 0.000 0.406 105 N N 0.831 119.731 118.700 0.333 0.000 2.104 105 N HA -0.162 4.578 4.740 0.000 0.000 0.190 105 N C 1.576 177.207 175.510 0.203 0.000 1.024 105 N CA 1.259 54.507 53.050 0.329 0.000 0.853 105 N CB -0.500 38.139 38.487 0.253 0.000 1.008 105 N HN 0.231 nan 8.380 nan 0.000 0.424 106 L N 0.581 121.892 121.223 0.147 0.000 2.217 106 L HA 0.044 4.384 4.340 0.000 0.000 0.211 106 L C 1.797 178.719 176.870 0.087 0.000 1.107 106 L CA 0.924 55.826 54.840 0.104 0.000 0.783 106 L CB -0.180 41.930 42.059 0.086 0.000 0.919 106 L HN -0.109 nan 8.230 nan 0.000 0.442 107 V N 0.169 120.147 119.914 0.108 0.000 2.548 107 V HA 0.182 4.303 4.120 0.000 0.000 0.249 107 V C 1.570 177.658 176.094 -0.010 0.000 1.055 107 V CA 1.062 63.396 62.300 0.057 0.000 1.065 107 V CB -1.008 30.880 31.823 0.109 0.000 0.681 107 V HN 0.679 nan 8.190 nan 0.000 0.462 108 G N -1.086 107.745 108.800 0.053 0.000 2.309 108 G HA2 -0.217 3.743 3.960 0.000 0.000 0.183 108 G HA3 -0.217 3.743 3.960 0.000 0.000 0.183 108 G C -0.322 174.508 174.900 -0.118 0.000 1.063 108 G CA -0.572 44.528 45.100 0.000 0.000 0.768 108 G HN 0.333 nan 8.290 nan 0.000 0.490 109 Y N 0.873 121.025 120.300 -0.246 0.000 2.497 109 Y HA 0.218 4.768 4.550 0.000 0.000 0.334 109 Y C 1.650 177.365 175.900 -0.309 0.000 1.199 109 Y CA 0.514 58.337 58.100 -0.463 0.000 1.425 109 Y CB 0.645 38.480 38.460 -1.041 0.000 1.291 109 Y HN 0.231 nan 8.280 nan 0.000 0.562 110 D N 1.398 121.713 120.400 -0.143 0.000 2.216 110 D HA 0.226 4.866 4.640 0.000 0.000 0.208 110 D C 0.290 176.719 176.300 0.216 0.000 0.960 110 D CA 0.971 54.949 54.000 -0.036 0.000 0.861 110 D CB 0.439 40.977 40.800 -0.437 0.000 0.985 110 D HN 0.515 nan 8.370 nan 0.000 0.493 111 A N -0.035 122.875 122.820 0.150 0.000 2.586 111 A HA 0.654 4.974 4.320 0.000 0.000 0.290 111 A C -1.646 176.090 177.584 0.253 0.000 1.086 111 A CA -0.613 51.636 52.037 0.353 0.000 0.665 111 A CB 1.985 21.227 19.000 0.403 0.000 1.279 111 A HN 0.046 nan 8.150 nan 0.000 0.423 112 M N 0.811 120.608 119.600 0.329 0.000 2.421 112 M HA 0.686 5.166 4.480 0.000 0.000 0.287 112 M C -0.960 175.465 176.300 0.209 0.000 1.183 112 M CA -0.535 54.915 55.300 0.250 0.000 0.916 112 M CB 1.919 34.727 32.600 0.347 0.000 1.701 112 M HN 1.537 nan 8.290 nan 0.000 0.470 113 A N 4.683 127.606 122.820 0.171 0.000 2.327 113 A HA 0.646 4.966 4.320 0.000 0.000 0.283 113 A C -0.494 177.154 177.584 0.106 0.000 1.127 113 A CA -0.623 51.506 52.037 0.153 0.000 0.810 113 A CB 0.295 19.404 19.000 0.181 0.000 1.066 113 A HN 0.882 nan 8.150 nan 0.000 0.492 114 I N 2.436 123.037 120.570 0.053 0.000 2.471 114 I HA 0.271 4.442 4.170 0.000 0.000 0.286 114 I C 1.220 177.343 176.117 0.010 0.000 1.079 114 I CA 0.249 61.542 61.300 -0.011 0.000 1.398 114 I CB 0.931 38.845 38.000 -0.143 0.000 1.403 114 I HN 0.742 nan 8.210 nan 0.000 0.530 115 G N 4.223 112.938 108.800 -0.142 0.000 2.522 115 G HA2 0.088 4.048 3.960 0.000 0.000 0.304 115 G HA3 0.088 4.048 3.960 0.000 0.000 0.304 115 G C 0.899 175.732 174.900 -0.110 0.000 1.210 115 G CA -0.595 44.177 45.100 -0.547 0.000 0.960 115 G HN 0.730 nan 8.290 nan 0.000 0.497 116 N N -0.687 117.932 118.700 -0.135 0.000 2.244 116 N HA -0.164 4.577 4.740 0.000 0.000 0.183 116 N C 1.086 176.664 175.510 0.112 0.000 1.016 116 N CA 1.178 54.248 53.050 0.034 0.000 0.866 116 N CB -0.382 38.047 38.487 -0.098 0.000 0.980 116 N HN 0.589 nan 8.380 nan 0.000 0.430 117 H N 0.566 119.759 119.070 0.205 0.000 2.556 117 H HA 0.112 4.669 4.556 0.000 0.000 0.268 117 H C 0.597 176.057 175.328 0.220 0.000 0.996 117 H CA 0.399 56.603 56.048 0.260 0.000 1.157 117 H CB 0.423 30.368 29.762 0.305 0.000 1.355 117 H HN 0.370 nan 8.280 nan 0.000 0.597 118 E N 0.171 120.488 120.200 0.195 0.000 2.435 118 E HA -0.036 4.315 4.350 0.000 0.000 0.195 118 E C 0.645 177.129 176.600 -0.193 0.000 1.029 118 E CA 0.180 56.575 56.400 -0.010 0.000 0.865 118 E CB -0.224 29.360 29.700 -0.194 0.000 0.833 118 E HN 0.392 nan 8.360 nan 0.000 0.510 119 F N 1.073 121.174 119.950 0.253 0.000 2.660 119 F HA 0.146 4.673 4.527 0.000 0.000 0.297 119 F C 1.133 177.172 175.800 0.397 0.000 1.132 119 F CA -0.094 58.114 58.000 0.346 0.000 1.372 119 F CB 0.404 39.773 39.000 0.616 0.000 1.003 119 F HN -0.193 nan 8.300 nan 0.000 0.524 120 D N -0.582 120.078 120.400 0.434 0.000 2.323 120 D HA -0.002 4.638 4.640 0.000 0.000 0.209 120 D C 0.525 177.071 176.300 0.410 0.000 0.973 120 D CA 0.704 55.002 54.000 0.497 0.000 0.874 120 D CB 0.120 41.236 40.800 0.527 0.000 0.930 120 D HN 0.165 nan 8.370 nan 0.000 0.521 121 N N 0.431 119.230 118.700 0.165 0.000 2.432 121 N HA 0.338 5.078 4.740 0.000 0.000 0.292 121 N C -2.608 172.612 175.510 -0.483 0.000 1.193 121 N CA -1.478 51.541 53.050 -0.051 0.000 0.878 121 N CB 1.257 39.725 38.487 -0.032 0.000 1.252 121 N HN -0.226 nan 8.380 nan 0.000 0.520 122 P HA 0.002 nan 4.420 nan 0.000 0.266 122 P C 1.149 178.198 177.300 -0.419 0.000 1.195 122 P CA -0.310 62.318 63.100 -0.787 0.000 0.768 122 P CB 0.633 32.093 31.700 -0.401 0.000 0.838 123 L N 4.377 125.414 121.223 -0.309 0.000 2.197 123 L HA -0.216 4.124 4.340 0.000 0.000 0.215 123 L C 1.967 178.740 176.870 -0.162 0.000 1.095 123 L CA 2.635 57.381 54.840 -0.157 0.000 0.764 123 L CB -1.624 40.415 42.059 -0.033 0.000 0.897 123 L HN 0.479 nan 8.230 nan 0.000 0.436 124 T N -5.137 109.312 114.554 -0.175 0.000 2.867 124 T HA -0.129 4.221 4.350 0.000 0.000 0.268 124 T C 1.822 176.393 174.700 -0.215 0.000 1.057 124 T CA 1.347 63.344 62.100 -0.171 0.000 1.136 124 T CB -0.941 67.841 68.868 -0.144 0.000 0.874 124 T HN 0.167 nan 8.240 nan 0.000 0.466 125 V N 1.227 121.009 119.914 -0.220 0.000 2.379 125 V HA -0.000 4.120 4.120 0.000 0.000 0.245 125 V C 2.531 178.438 176.094 -0.311 0.000 1.044 125 V CA 1.288 63.440 62.300 -0.246 0.000 1.036 125 V CB -0.793 30.933 31.823 -0.162 0.000 0.664 125 V HN 0.382 nan 8.190 nan 0.000 0.453 126 L N 0.248 121.314 121.223 -0.262 0.000 2.046 126 L HA -0.083 4.257 4.340 0.000 0.000 0.208 126 L C 2.612 179.324 176.870 -0.263 0.000 1.077 126 L CA 1.856 56.536 54.840 -0.266 0.000 0.747 126 L CB -0.728 41.178 42.059 -0.254 0.000 0.896 126 L HN 0.134 nan 8.230 nan 0.000 0.432 127 R N -0.449 119.924 120.500 -0.212 0.000 2.096 127 R HA -0.183 4.157 4.340 0.000 0.000 0.235 127 R C 2.209 178.297 176.300 -0.353 0.000 1.127 127 R CA 1.455 57.430 56.100 -0.208 0.000 0.968 127 R CB -0.892 29.301 30.300 -0.180 0.000 0.861 127 R HN 0.491 nan 8.270 nan 0.000 0.440 128 Q N 1.339 120.856 119.800 -0.472 0.000 2.079 128 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 128 Q C 1.860 177.181 176.000 -1.132 0.000 0.974 128 Q CA 1.703 57.054 55.803 -0.753 0.000 0.840 128 Q CB -0.111 28.170 28.738 -0.762 0.000 0.898 128 Q HN 0.414 nan 8.270 nan 0.000 0.430 129 Q N -0.272 118.940 119.800 -0.980 0.000 2.224 129 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 129 Q C 1.797 177.334 176.000 -0.772 0.000 0.970 129 Q CA 1.301 56.504 55.803 -1.000 0.000 0.865 129 Q CB -0.054 28.075 28.738 -1.014 0.000 0.922 129 Q HN 0.550 nan 8.270 nan 0.000 0.445 130 E N 0.578 120.453 120.200 -0.541 0.000 2.208 130 E HA -0.149 4.201 4.350 0.000 0.000 0.193 130 E C 1.470 177.889 176.600 -0.300 0.000 0.988 130 E CA 0.623 56.815 56.400 -0.347 0.000 0.828 130 E CB 0.346 29.923 29.700 -0.205 0.000 0.763 130 E HN 0.081 nan 8.360 nan 0.000 0.478 131 K N 0.009 120.194 120.400 -0.360 0.000 2.116 131 K HA -0.095 4.225 4.320 0.000 0.000 0.203 131 K C 1.793 178.317 176.600 -0.126 0.000 1.052 131 K CA 0.663 56.798 56.287 -0.254 0.000 0.952 131 K CB -0.214 32.096 32.500 -0.317 0.000 0.729 131 K HN 0.320 nan 8.250 nan 0.000 0.446 132 W N 1.450 122.609 121.300 -0.236 0.000 2.418 132 W HA 0.134 4.794 4.660 0.000 0.000 0.292 132 W C 0.956 177.359 176.519 -0.192 0.000 1.213 132 W CA -0.307 56.922 57.345 -0.194 0.000 1.283 132 W CB -0.845 28.482 29.460 -0.221 0.000 1.119 132 W HN -0.137 nan 8.180 nan 0.000 0.542 133 A N 1.615 124.371 122.820 -0.106 0.000 2.492 133 A HA 0.064 4.384 4.320 0.000 0.000 0.254 133 A C 1.418 178.802 177.584 -0.333 0.000 1.091 133 A CA 0.083 51.883 52.037 -0.395 0.000 0.768 133 A CB 0.245 18.773 19.000 -0.787 0.000 1.028 133 A HN 0.264 nan 8.150 nan 0.000 0.498 134 K N 2.038 122.331 120.400 -0.178 0.000 2.365 134 K HA 0.049 4.369 4.320 0.000 0.000 0.197 134 K C -0.188 176.470 176.600 0.096 0.000 1.042 134 K CA 0.498 56.810 56.287 0.041 0.000 0.987 134 K CB -0.099 32.519 32.500 0.197 0.000 0.779 134 K HN 0.742 nan 8.250 nan 0.000 0.484 135 F N 0.903 120.949 119.950 0.159 0.000 2.483 135 F HA 0.585 5.112 4.527 0.000 0.000 0.329 135 F C -2.498 173.399 175.800 0.161 0.000 1.064 135 F CA -3.569 54.539 58.000 0.181 0.000 0.986 135 F CB -0.022 39.108 39.000 0.216 0.000 1.218 135 F HN -0.181 nan 8.300 nan 0.000 0.484 136 P HA 0.246 nan 4.420 nan 0.000 0.275 136 P C -1.200 176.245 177.300 0.241 0.000 1.228 136 P CA -0.208 63.000 63.100 0.181 0.000 0.786 136 P CB 1.729 33.538 31.700 0.183 0.000 0.927 137 L N 3.352 124.647 121.223 0.120 0.000 2.280 137 L HA 0.444 4.784 4.340 0.000 0.000 0.287 137 L C 0.317 177.237 176.870 0.083 0.000 1.023 137 L CA -0.733 54.172 54.840 0.110 0.000 0.819 137 L CB 0.858 42.914 42.059 -0.004 0.000 1.212 137 L HN 0.258 nan 8.230 nan 0.000 0.420 138 L N 2.736 124.025 121.223 0.111 0.000 2.331 138 L HA 0.667 5.007 4.340 0.000 0.000 0.275 138 L C 0.104 177.024 176.870 0.084 0.000 1.022 138 L CA -0.417 54.492 54.840 0.115 0.000 0.812 138 L CB 1.912 44.074 42.059 0.173 0.000 1.257 138 L HN 0.588 nan 8.230 nan 0.000 0.435 139 S N 0.425 116.191 115.700 0.110 0.000 2.388 139 S HA 0.410 4.881 4.470 0.000 0.000 0.279 139 S C 0.098 174.773 174.600 0.126 0.000 0.987 139 S CA 0.045 58.318 58.200 0.120 0.000 0.993 139 S CB 1.177 64.425 63.200 0.080 0.000 1.207 139 S HN 0.743 nan 8.310 nan 0.000 0.425 140 A N 3.623 126.521 122.820 0.129 0.000 2.072 140 A HA 0.090 4.410 4.320 0.000 0.000 0.216 140 A C 1.630 179.285 177.584 0.118 0.000 1.156 140 A CA 1.051 53.154 52.037 0.110 0.000 0.701 140 A CB -0.313 18.803 19.000 0.195 0.000 0.816 140 A HN 0.900 nan 8.150 nan 0.000 0.458 141 N N -0.010 118.787 118.700 0.161 0.000 2.270 141 N HA 0.115 4.855 4.740 0.000 0.000 0.198 141 N C -0.149 175.477 175.510 0.193 0.000 1.117 141 N CA -0.037 53.166 53.050 0.254 0.000 0.845 141 N CB 0.056 38.674 38.487 0.219 0.000 0.980 141 N HN 0.417 nan 8.380 nan 0.000 0.486 142 I N 1.759 122.318 120.570 -0.019 0.000 2.297 142 I HA 0.233 4.403 4.170 0.000 0.000 0.291 142 I C -0.724 175.225 176.117 -0.281 0.000 1.033 142 I CA -0.699 60.482 61.300 -0.199 0.000 1.253 142 I CB 0.212 38.124 38.000 -0.145 0.000 1.396 142 I HN -0.133 nan 8.210 nan 0.000 0.476 143 Y N 3.962 124.163 120.300 -0.165 0.000 2.457 143 Y HA 0.352 4.902 4.550 0.000 0.000 0.333 143 Y C 0.340 176.178 175.900 -0.104 0.000 1.119 143 Y CA -0.712 57.324 58.100 -0.107 0.000 1.143 143 Y CB 1.313 39.732 38.460 -0.069 0.000 1.230 143 Y HN 0.453 nan 8.280 nan 0.000 0.469 144 Q N 2.825 122.652 119.800 0.045 0.000 2.331 144 Q HA 0.208 4.548 4.340 0.000 0.000 0.257 144 Q C 0.381 176.417 176.000 0.061 0.000 0.957 144 Q CA -0.365 55.450 55.803 0.020 0.000 0.923 144 Q CB 0.840 29.560 28.738 -0.031 0.000 1.212 144 Q HN 0.751 nan 8.270 nan 0.000 0.443 145 K N 1.297 121.731 120.400 0.056 0.000 2.015 145 K HA -0.250 4.070 4.320 0.000 0.000 0.216 145 K C 1.974 178.594 176.600 0.033 0.000 1.052 145 K CA 2.111 58.427 56.287 0.048 0.000 0.937 145 K CB -0.200 32.328 32.500 0.046 0.000 0.719 145 K HN 0.768 nan 8.250 nan 0.000 0.446 146 S N 1.214 116.930 115.700 0.026 0.000 2.482 146 S HA -0.275 4.195 4.470 0.000 0.000 0.226 146 S C 2.366 176.974 174.600 0.014 0.000 1.048 146 S CA 2.440 60.650 58.200 0.016 0.000 1.158 146 S CB -1.669 61.536 63.200 0.009 0.000 1.130 146 S HN 0.541 nan 8.310 nan 0.000 0.413 147 T N -0.723 113.836 114.554 0.009 0.000 2.607 147 T HA 0.146 4.496 4.350 0.000 0.000 0.267 147 T C 1.858 176.575 174.700 0.028 0.000 1.049 147 T CA 1.999 64.104 62.100 0.008 0.000 1.162 147 T CB -1.692 67.171 68.868 -0.008 0.000 0.863 147 T HN 1.925 nan 8.240 nan 0.000 0.424 148 G N 1.136 109.971 108.800 0.059 0.000 2.141 148 G HA2 -0.113 3.847 3.960 0.000 0.000 0.195 148 G HA3 -0.113 3.847 3.960 0.000 0.000 0.195 148 G C -0.362 174.661 174.900 0.205 0.000 1.012 148 G CA 0.047 45.209 45.100 0.104 0.000 0.696 148 G HN 0.779 nan 8.290 nan 0.000 0.508 149 E N -0.389 119.900 120.200 0.147 0.000 2.263 149 E HA 0.575 4.925 4.350 0.000 0.000 0.264 149 E C 0.346 176.850 176.600 -0.160 0.000 0.923 149 E CA -1.149 55.292 56.400 0.067 0.000 0.802 149 E CB 1.569 31.251 29.700 -0.030 0.000 1.228 149 E HN 0.274 nan 8.360 nan 0.000 0.417 150 R N 1.036 121.294 120.500 -0.404 0.000 2.643 150 R HA 0.125 4.465 4.340 0.000 0.000 0.270 150 R C 0.944 176.981 176.300 -0.437 0.000 1.061 150 R CA 0.046 55.754 56.100 -0.654 0.000 1.107 150 R CB 0.473 30.433 30.300 -0.567 0.000 0.999 150 R HN 0.458 nan 8.270 nan 0.000 0.460 151 L N 1.701 122.633 121.223 -0.486 0.000 2.446 151 L HA 0.160 4.501 4.340 0.000 0.000 0.219 151 L C -0.048 176.165 176.870 -1.096 0.000 1.116 151 L CA 0.679 55.075 54.840 -0.739 0.000 0.844 151 L CB 0.097 41.642 42.059 -0.856 0.000 0.970 151 L HN 0.441 nan 8.230 nan 0.000 0.457 152 F N -1.359 118.492 119.950 -0.165 0.000 2.706 152 F HA 0.413 4.941 4.527 0.000 0.000 0.328 152 F C -0.051 175.646 175.800 -0.171 0.000 1.123 152 F CA -1.423 56.498 58.000 -0.130 0.000 0.978 152 F CB 0.632 39.592 39.000 -0.067 0.000 1.404 152 F HN -0.430 nan 8.300 nan 0.000 0.497 153 K N 3.156 123.581 120.400 0.043 0.000 2.379 153 K HA 0.179 4.499 4.320 0.000 0.000 0.284 153 K C -1.904 174.636 176.600 -0.101 0.000 1.044 153 K CA -1.687 54.526 56.287 -0.123 0.000 0.974 153 K CB 0.189 32.626 32.500 -0.106 0.000 0.962 153 K HN 0.184 nan 8.250 nan 0.000 0.474 154 P HA -0.046 nan 4.420 nan 0.000 0.227 154 P C -0.660 176.737 177.300 0.163 0.000 1.161 154 P CA 0.864 63.931 63.100 -0.055 0.000 0.788 154 P CB 0.193 31.832 31.700 -0.102 0.000 0.822 155 W N -1.128 120.202 121.300 0.051 0.000 2.923 155 W HA 0.731 5.391 4.660 0.000 0.000 0.373 155 W C -2.283 174.244 176.519 0.013 0.000 1.205 155 W CA -1.345 56.030 57.345 0.051 0.000 1.180 155 W CB 0.395 29.876 29.460 0.036 0.000 1.477 155 W HN -0.033 nan 8.180 nan 0.000 0.581 156 A N 1.708 124.762 122.820 0.389 0.000 2.486 156 A HA 0.767 5.088 4.320 0.000 0.000 0.300 156 A C -2.049 175.467 177.584 -0.112 0.000 1.048 156 A CA -0.836 51.236 52.037 0.058 0.000 0.696 156 A CB 1.487 20.457 19.000 -0.050 0.000 1.278 156 A HN 0.688 nan 8.150 nan 0.000 0.405 157 L N 1.621 122.651 121.223 -0.322 0.000 2.317 157 L HA 0.649 4.989 4.340 0.000 0.000 0.281 157 L C -1.278 175.194 176.870 -0.665 0.000 1.024 157 L CA 0.040 54.688 54.840 -0.319 0.000 0.810 157 L CB 0.761 42.761 42.059 -0.100 0.000 1.240 157 L HN 0.688 nan 8.230 nan 0.000 0.427 158 F N 2.018 121.986 119.950 0.030 0.000 2.540 158 F HA 0.457 4.984 4.527 0.000 0.000 0.317 158 F C 0.191 175.979 175.800 -0.020 0.000 1.104 158 F CA -1.004 57.004 58.000 0.013 0.000 0.913 158 F CB 1.925 40.929 39.000 0.007 0.000 1.170 158 F HN 0.236 nan 8.300 nan 0.000 0.450 159 K N 3.213 123.694 120.400 0.135 0.000 2.265 159 K HA 0.524 4.844 4.320 0.000 0.000 0.267 159 K C -1.045 175.594 176.600 0.065 0.000 0.994 159 K CA -0.503 55.818 56.287 0.058 0.000 0.860 159 K CB 0.709 33.229 32.500 0.034 0.000 1.099 159 K HN 0.415 nan 8.250 nan 0.000 0.448 160 R N 4.484 124.993 120.500 0.016 0.000 2.435 160 R HA 0.270 4.610 4.340 0.000 0.000 0.308 160 R C -0.187 176.106 176.300 -0.010 0.000 0.975 160 R CA -0.376 55.730 56.100 0.011 0.000 0.867 160 R CB 1.078 31.372 30.300 -0.010 0.000 1.171 160 R HN 0.982 nan 8.270 nan 0.000 0.470 161 Q N 0.487 120.311 119.800 0.041 0.000 1.555 161 Q HA -0.294 4.046 4.340 0.000 0.000 0.344 161 Q C -0.090 175.934 176.000 0.039 0.000 0.887 161 Q CA 1.922 57.777 55.803 0.086 0.000 0.829 161 Q CB -0.779 28.075 28.738 0.195 0.000 3.625 161 Q HN 0.519 nan 8.270 nan 0.000 0.622 162 D N 0.045 120.446 120.400 0.002 0.000 2.354 162 D HA 0.161 4.801 4.640 0.000 0.000 0.209 162 D C 0.045 176.253 176.300 -0.153 0.000 1.015 162 D CA 0.357 54.337 54.000 -0.033 0.000 0.867 162 D CB 0.136 40.982 40.800 0.076 0.000 0.933 162 D HN 0.034 nan 8.370 nan 0.000 0.520 163 L N 1.061 122.103 121.223 -0.303 0.000 2.397 163 L HA 0.230 4.570 4.340 0.000 0.000 0.271 163 L C 0.677 177.440 176.870 -0.178 0.000 1.148 163 L CA 0.043 54.687 54.840 -0.327 0.000 0.825 163 L CB 0.348 42.088 42.059 -0.531 0.000 1.117 163 L HN -0.108 nan 8.230 nan 0.000 0.456 164 K N 4.390 124.696 120.400 -0.156 0.000 2.334 164 K HA 0.523 4.843 4.320 0.000 0.000 0.265 164 K C -0.910 175.624 176.600 -0.109 0.000 1.039 164 K CA -0.370 55.861 56.287 -0.093 0.000 0.920 164 K CB 0.565 33.025 32.500 -0.068 0.000 1.160 164 K HN 0.513 nan 8.250 nan 0.000 0.451 165 I N 3.341 123.883 120.570 -0.047 0.000 2.412 165 I HA 0.404 4.574 4.170 0.000 0.000 0.296 165 I C -0.216 175.940 176.117 0.065 0.000 0.987 165 I CA -0.901 60.385 61.300 -0.023 0.000 1.180 165 I CB 1.945 39.949 38.000 0.007 0.000 1.340 165 I HN 0.635 nan 8.210 nan 0.000 0.455 166 A N 6.109 128.939 122.820 0.018 0.000 2.342 166 A HA 0.810 5.130 4.320 0.000 0.000 0.323 166 A C -0.849 176.804 177.584 0.116 0.000 1.125 166 A CA -0.519 51.536 52.037 0.030 0.000 0.785 166 A CB 1.472 20.390 19.000 -0.137 0.000 1.221 166 A HN 0.444 nan 8.150 nan 0.000 0.463 167 V N 3.834 123.893 119.914 0.242 0.000 2.444 167 V HA 0.381 4.501 4.120 0.000 0.000 0.294 167 V C -0.284 175.974 176.094 0.272 0.000 1.022 167 V CA -0.177 62.278 62.300 0.257 0.000 0.850 167 V CB 1.225 33.269 31.823 0.369 0.000 0.992 167 V HN 0.766 nan 8.190 nan 0.000 0.426 168 I N 3.446 124.142 120.570 0.209 0.000 2.437 168 I HA 0.695 4.865 4.170 0.000 0.000 0.298 168 I C 0.809 177.049 176.117 0.205 0.000 0.984 168 I CA -0.252 61.190 61.300 0.237 0.000 1.214 168 I CB 1.843 39.946 38.000 0.171 0.000 1.365 168 I HN 0.710 nan 8.210 nan 0.000 0.469 169 G N 6.150 115.076 108.800 0.210 0.000 2.452 169 G HA2 0.778 4.738 3.960 0.000 0.000 0.324 169 G HA3 0.778 4.738 3.960 0.000 0.000 0.324 169 G C -1.149 173.849 174.900 0.163 0.000 1.214 169 G CA -0.458 44.748 45.100 0.176 0.000 0.947 169 G HN 0.429 nan 8.290 nan 0.000 0.478 170 L N 0.996 122.311 121.223 0.153 0.000 2.455 170 L HA 0.549 4.889 4.340 0.000 0.000 0.264 170 L C -0.418 176.547 176.870 0.159 0.000 0.968 170 L CA -0.776 54.153 54.840 0.149 0.000 0.827 170 L CB 2.926 45.061 42.059 0.128 0.000 1.317 170 L HN 0.448 nan 8.230 nan 0.000 0.407 171 T N -0.123 114.534 114.554 0.172 0.000 2.829 171 T HA 0.225 4.575 4.350 0.000 0.000 0.280 171 T C -0.073 174.703 174.700 0.126 0.000 0.999 171 T CA -0.413 61.798 62.100 0.185 0.000 0.983 171 T CB 1.873 70.893 68.868 0.255 0.000 0.968 171 T HN 0.577 nan 8.240 nan 0.000 0.446 172 T N 2.250 116.814 114.554 0.015 0.000 2.905 172 T HA -0.026 4.324 4.350 0.000 0.000 0.299 172 T C 1.191 175.781 174.700 -0.184 0.000 1.024 172 T CA -0.206 61.832 62.100 -0.103 0.000 1.151 172 T CB 0.055 68.754 68.868 -0.282 0.000 0.987 172 T HN 0.680 nan 8.240 nan 0.000 0.535 173 D N 2.947 123.269 120.400 -0.130 0.000 2.363 173 D HA -0.035 4.606 4.640 0.000 0.000 0.226 173 D C 0.896 176.976 176.300 -0.367 0.000 1.020 173 D CA 0.157 54.040 54.000 -0.196 0.000 0.892 173 D CB 0.022 40.819 40.800 -0.006 0.000 0.900 173 D HN 0.524 nan 8.370 nan 0.000 0.531 174 D N 0.554 120.770 120.400 -0.306 0.000 2.363 174 D HA -0.052 4.588 4.640 0.000 0.000 0.220 174 D C 1.503 177.562 176.300 -0.403 0.000 0.994 174 D CA 0.507 54.353 54.000 -0.257 0.000 0.890 174 D CB -0.060 40.679 40.800 -0.102 0.000 0.906 174 D HN 0.153 nan 8.370 nan 0.000 0.530 175 T N 0.663 114.802 114.554 -0.691 0.000 2.721 175 T HA -0.179 4.172 4.350 0.000 0.000 0.268 175 T C 1.250 175.425 174.700 -0.874 0.000 1.038 175 T CA 1.223 62.831 62.100 -0.820 0.000 1.145 175 T CB -0.171 67.924 68.868 -1.288 0.000 0.858 175 T HN 0.200 nan 8.240 nan 0.000 0.459 176 A N 2.232 124.424 122.820 -1.047 0.000 2.981 176 A HA 0.423 4.743 4.320 0.000 0.000 0.280 176 A C 0.416 177.865 177.584 -0.225 0.000 1.797 176 A CA 0.189 51.767 52.037 -0.764 0.000 1.456 176 A CB -0.520 18.167 19.000 -0.522 0.000 1.057 176 A HN 0.521 nan 8.150 nan 0.000 0.602 184 F N 0.851 120.960 119.950 0.265 0.000 2.916 184 F HA 0.403 4.930 4.527 0.000 0.000 0.294 184 F C 0.652 176.536 175.800 0.140 0.000 1.189 184 F CA -0.400 57.724 58.000 0.208 0.000 1.369 184 F CB -0.110 39.012 39.000 0.203 0.000 0.961 184 F HN -0.282 nan 8.300 nan 0.000 0.508 185 T N 0.490 115.160 114.554 0.193 0.000 2.749 185 T HA 0.169 4.519 4.350 0.000 0.000 0.295 185 T C 0.479 175.252 174.700 0.121 0.000 0.936 185 T CA -0.083 62.098 62.100 0.136 0.000 1.060 185 T CB 0.654 69.575 68.868 0.090 0.000 0.904 185 T HN 0.404 nan 8.240 nan 0.000 0.500 186 D N 1.719 122.183 120.400 0.106 0.000 3.077 186 D HA -0.166 4.474 4.640 0.000 0.000 0.212 186 D C -0.463 175.888 176.300 0.085 0.000 1.125 186 D CA 0.732 54.779 54.000 0.078 0.000 0.970 186 D CB -1.370 39.461 40.800 0.053 0.000 1.110 186 D HN 0.615 nan 8.370 nan 0.000 0.419 187 I N 1.103 121.753 120.570 0.133 0.000 2.406 187 I HA 0.327 4.497 4.170 0.000 0.000 0.290 187 I C 0.082 176.238 176.117 0.064 0.000 0.999 187 I CA -0.717 60.644 61.300 0.100 0.000 1.124 187 I CB 1.805 39.932 38.000 0.212 0.000 1.289 187 I HN 0.022 nan 8.210 nan 0.000 0.441 188 E N 6.276 126.457 120.200 -0.032 0.000 2.210 188 E HA 0.425 4.775 4.350 0.000 0.000 0.266 188 E C -1.643 174.880 176.600 -0.128 0.000 0.883 188 E CA -0.665 55.736 56.400 0.002 0.000 0.761 188 E CB 1.475 31.205 29.700 0.050 0.000 1.156 188 E HN 0.336 nan 8.360 nan 0.000 0.412 189 F N 4.017 123.960 119.950 -0.013 0.000 2.313 189 F HA 0.377 4.905 4.527 0.000 0.000 0.369 189 F C 0.784 176.592 175.800 0.014 0.000 1.109 189 F CA -0.592 57.397 58.000 -0.018 0.000 1.132 189 F CB 0.741 39.659 39.000 -0.137 0.000 1.291 189 F HN 0.244 nan 8.300 nan 0.000 0.496 190 R N 1.637 122.235 120.500 0.164 0.000 2.637 190 R HA 0.251 4.591 4.340 0.000 0.000 0.269 190 R C 0.150 176.515 176.300 0.108 0.000 1.089 190 R CA -1.016 55.141 56.100 0.094 0.000 1.177 190 R CB 0.531 30.843 30.300 0.021 0.000 1.091 190 R HN 0.247 nan 8.270 nan 0.000 0.540 191 K N 2.453 122.888 120.400 0.060 0.000 2.419 191 K HA -0.013 4.307 4.320 0.000 0.000 0.282 191 K C -1.822 174.817 176.600 0.064 0.000 1.056 191 K CA -1.047 55.269 56.287 0.048 0.000 1.035 191 K CB 0.409 32.921 32.500 0.020 0.000 0.921 191 K HN 0.371 nan 8.250 nan 0.000 0.472 192 P HA -0.245 nan 4.420 nan 0.000 0.215 192 P C 1.078 178.417 177.300 0.065 0.000 1.163 192 P CA 1.848 64.996 63.100 0.080 0.000 0.894 192 P CB 0.258 31.998 31.700 0.066 0.000 0.791 193 A N -0.445 122.400 122.820 0.040 0.000 1.940 193 A HA -0.239 4.081 4.320 0.000 0.000 0.219 193 A C 1.937 179.543 177.584 0.037 0.000 1.176 193 A CA 2.204 54.261 52.037 0.034 0.000 0.631 193 A CB -1.364 17.646 19.000 0.016 0.000 0.814 193 A HN 0.136 nan 8.150 nan 0.000 0.446 194 D N -1.107 119.314 120.400 0.036 0.000 2.194 194 D HA -0.054 4.586 4.640 0.000 0.000 0.204 194 D C 1.880 178.212 176.300 0.053 0.000 0.964 194 D CA 1.334 55.354 54.000 0.034 0.000 0.846 194 D CB -0.177 40.635 40.800 0.021 0.000 0.962 194 D HN 0.558 nan 8.370 nan 0.000 0.490 195 E N 1.124 121.371 120.200 0.077 0.000 2.107 195 E HA -0.017 4.333 4.350 0.000 0.000 0.191 195 E C 1.915 178.585 176.600 0.116 0.000 0.982 195 E CA 0.992 57.462 56.400 0.116 0.000 0.809 195 E CB -0.174 29.624 29.700 0.163 0.000 0.756 195 E HN 0.121 nan 8.360 nan 0.000 0.459 196 A N 0.975 123.853 122.820 0.096 0.000 1.908 196 A HA -0.252 4.068 4.320 0.000 0.000 0.218 196 A C 2.019 179.641 177.584 0.062 0.000 1.181 196 A CA 1.916 54.004 52.037 0.084 0.000 0.627 196 A CB -0.442 18.599 19.000 0.067 0.000 0.818 196 A HN 0.206 nan 8.150 nan 0.000 0.445 197 K N -0.342 120.088 120.400 0.050 0.000 2.026 197 K HA -0.058 4.262 4.320 0.000 0.000 0.208 197 K C 1.926 178.549 176.600 0.038 0.000 1.048 197 K CA 1.453 57.760 56.287 0.034 0.000 0.929 197 K CB -0.468 32.048 32.500 0.026 0.000 0.713 197 K HN 0.472 nan 8.250 nan 0.000 0.439 198 L N 0.777 122.034 121.223 0.057 0.000 1.970 198 L HA -0.240 4.100 4.340 0.000 0.000 0.212 198 L C 2.461 179.380 176.870 0.080 0.000 1.071 198 L CA 1.225 56.107 54.840 0.069 0.000 0.751 198 L CB -0.836 41.278 42.059 0.091 0.000 0.889 198 L HN 0.009 nan 8.230 nan 0.000 0.432 199 V N 0.376 120.360 119.914 0.117 0.000 2.282 199 V HA -0.327 3.793 4.120 0.000 0.000 0.249 199 V C 2.370 178.446 176.094 -0.030 0.000 1.057 199 V CA 2.096 64.472 62.300 0.126 0.000 1.032 199 V CB -0.451 31.501 31.823 0.214 0.000 0.645 199 V HN 0.345 nan 8.190 nan 0.000 0.447 200 I N -0.451 120.107 120.570 -0.021 0.000 2.335 200 I HA -0.333 3.837 4.170 0.000 0.000 0.251 200 I C 2.643 178.711 176.117 -0.080 0.000 1.129 200 I CA 1.604 62.864 61.300 -0.067 0.000 1.402 200 I CB -0.394 37.589 38.000 -0.028 0.000 1.069 200 I HN 0.445 nan 8.210 nan 0.000 0.424 201 Q N 0.552 120.327 119.800 -0.041 0.000 2.020 201 Q HA -0.197 4.143 4.340 0.000 0.000 0.198 201 Q C 2.119 178.087 176.000 -0.053 0.000 0.974 201 Q CA 1.366 57.149 55.803 -0.034 0.000 0.829 201 Q CB -0.163 28.573 28.738 -0.003 0.000 0.894 201 Q HN 0.502 nan 8.270 nan 0.000 0.433 202 E N 0.811 120.989 120.200 -0.037 0.000 2.114 202 E HA -0.226 4.125 4.350 0.000 0.000 0.199 202 E C 2.075 178.576 176.600 -0.164 0.000 1.008 202 E CA 1.048 57.430 56.400 -0.031 0.000 0.810 202 E CB -0.211 29.543 29.700 0.091 0.000 0.739 202 E HN 0.312 nan 8.360 nan 0.000 0.456 203 L N 0.666 121.687 121.223 -0.337 0.000 1.994 203 L HA -0.245 4.096 4.340 0.000 0.000 0.208 203 L C 2.603 179.337 176.870 -0.226 0.000 1.071 203 L CA 1.417 55.996 54.840 -0.435 0.000 0.745 203 L CB -0.411 41.330 42.059 -0.530 0.000 0.892 203 L HN 0.154 nan 8.230 nan 0.000 0.431 204 Q N -0.761 118.947 119.800 -0.152 0.000 2.226 204 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 204 Q C 2.234 178.199 176.000 -0.060 0.000 0.975 204 Q CA 1.007 56.757 55.803 -0.089 0.000 0.866 204 Q CB 0.034 28.735 28.738 -0.061 0.000 0.915 204 Q HN 0.504 nan 8.270 nan 0.000 0.440 205 Q N -0.624 119.144 119.800 -0.053 0.000 2.163 205 Q HA -0.005 4.335 4.340 0.000 0.000 0.198 205 Q C 1.767 177.753 176.000 -0.023 0.000 0.954 205 Q CA 1.154 56.941 55.803 -0.026 0.000 0.851 205 Q CB -0.067 28.664 28.738 -0.011 0.000 0.928 205 Q HN 0.305 nan 8.270 nan 0.000 0.459 206 T N 1.754 116.286 114.554 -0.036 0.000 2.925 206 T HA -0.028 4.322 4.350 0.000 0.000 0.232 206 T C 1.560 176.241 174.700 -0.032 0.000 1.055 206 T CA 0.644 62.734 62.100 -0.017 0.000 1.419 206 T CB -0.098 68.778 68.868 0.013 0.000 1.094 206 T HN 0.131 nan 8.240 nan 0.000 0.423 207 E N 1.355 121.513 120.200 -0.070 0.000 2.208 207 E HA 0.010 4.360 4.350 0.000 0.000 0.193 207 E C 0.139 176.695 176.600 -0.074 0.000 0.988 207 E CA 0.345 56.703 56.400 -0.071 0.000 0.828 207 E CB -0.243 29.385 29.700 -0.119 0.000 0.763 207 E HN 0.515 nan 8.360 nan 0.000 0.478 208 K N 0.521 120.869 120.400 -0.087 0.000 3.974 208 K HA -0.161 4.159 4.320 0.000 0.000 0.280 208 K C -2.525 174.038 176.600 -0.061 0.000 0.949 208 K CA -0.012 56.238 56.287 -0.062 0.000 0.817 208 K CB -1.330 31.149 32.500 -0.035 0.000 1.535 208 K HN 0.167 nan 8.250 nan 0.000 0.444 209 P HA 0.025 nan 4.420 nan 0.000 0.272 209 P C 0.315 177.578 177.300 -0.062 0.000 1.230 209 P CA -0.394 62.652 63.100 -0.091 0.000 0.788 209 P CB 0.602 32.227 31.700 -0.125 0.000 0.949 210 D N 0.475 120.819 120.400 -0.094 0.000 2.240 210 D HA 0.087 4.727 4.640 0.000 0.000 0.206 210 D C 0.715 176.924 176.300 -0.152 0.000 0.963 210 D CA 1.271 55.216 54.000 -0.093 0.000 0.863 210 D CB 0.379 41.014 40.800 -0.275 0.000 0.973 210 D HN 0.291 nan 8.370 nan 0.000 0.501 211 I N 0.772 121.220 120.570 -0.203 0.000 2.730 211 I HA 0.358 4.528 4.170 0.000 0.000 0.298 211 I C -0.780 175.265 176.117 -0.120 0.000 1.089 211 I CA -0.729 60.464 61.300 -0.179 0.000 1.041 211 I CB 3.047 40.875 38.000 -0.287 0.000 1.235 211 I HN -0.327 nan 8.210 nan 0.000 0.423 212 I N 5.966 126.483 120.570 -0.088 0.000 2.499 212 I HA 0.495 4.665 4.170 0.000 0.000 0.288 212 I C -0.844 175.248 176.117 -0.041 0.000 1.048 212 I CA -0.436 60.828 61.300 -0.060 0.000 1.062 212 I CB 2.208 40.172 38.000 -0.059 0.000 1.238 212 I HN 0.330 nan 8.210 nan 0.000 0.426 213 I N 4.811 125.373 120.570 -0.013 0.000 2.509 213 I HA 0.630 4.800 4.170 0.000 0.000 0.293 213 I C -0.040 176.106 176.117 0.049 0.000 1.020 213 I CA -0.675 60.627 61.300 0.002 0.000 1.088 213 I CB 2.217 40.207 38.000 -0.018 0.000 1.267 213 I HN 0.599 nan 8.210 nan 0.000 0.430 214 A N 4.739 127.591 122.820 0.054 0.000 2.288 214 A HA 0.832 5.152 4.320 0.000 0.000 0.320 214 A C -0.322 177.313 177.584 0.085 0.000 1.217 214 A CA -0.526 51.560 52.037 0.081 0.000 0.840 214 A CB 1.058 20.102 19.000 0.073 0.000 1.179 214 A HN 0.773 nan 8.150 nan 0.000 0.504 215 A N 2.830 125.718 122.820 0.113 0.000 2.249 215 A HA 0.715 5.035 4.320 0.000 0.000 0.314 215 A C 0.402 178.066 177.584 0.133 0.000 1.290 215 A CA 0.163 52.272 52.037 0.121 0.000 0.893 215 A CB -0.025 19.062 19.000 0.145 0.000 1.165 215 A HN 1.482 nan 8.150 nan 0.000 0.530 216 T N -0.541 114.086 114.554 0.123 0.000 2.916 216 T HA 0.566 4.916 4.350 0.000 0.000 0.292 216 T C -0.720 174.069 174.700 0.148 0.000 1.055 216 T CA -0.483 61.694 62.100 0.129 0.000 1.009 216 T CB 1.428 70.350 68.868 0.090 0.000 1.118 216 T HN 0.625 nan 8.240 nan 0.000 0.497 217 H N 1.182 120.295 119.070 0.072 0.000 2.340 217 H HA 0.582 5.138 4.556 0.000 0.000 0.233 217 H C 0.256 175.580 175.328 -0.005 0.000 1.435 217 H CA -0.578 55.509 56.048 0.065 0.000 1.389 217 H CB -0.038 29.760 29.762 0.062 0.000 1.491 217 H HN 0.661 nan 8.280 nan 0.000 0.518 218 M N 0.946 120.489 119.600 -0.095 0.000 2.279 218 M HA 0.332 4.812 4.480 0.000 0.000 0.278 218 M C 0.537 176.873 176.300 0.060 0.000 1.142 218 M CA 0.586 55.870 55.300 -0.027 0.000 1.119 218 M CB 1.431 34.044 32.600 0.022 0.000 1.741 218 M HN 0.568 nan 8.290 nan 0.000 0.601 219 G N 1.050 109.822 108.800 -0.046 0.000 2.697 219 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 219 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 219 G C -1.401 173.239 174.900 -0.432 0.000 1.179 219 G CA -0.870 44.089 45.100 -0.236 0.000 0.765 219 G HN 0.494 nan 8.290 nan 0.000 0.649 220 H N 1.283 120.000 119.070 -0.589 0.000 2.476 220 H HA 0.648 5.204 4.556 0.000 0.000 0.328 220 H C -1.142 173.816 175.328 -0.618 0.000 1.073 220 H CA -0.458 55.326 56.048 -0.441 0.000 1.229 220 H CB 1.007 30.637 29.762 -0.220 0.000 1.432 220 H HN 0.446 nan 8.280 nan 0.000 0.477 221 Y N 2.815 122.856 120.300 -0.431 0.000 2.331 221 Y HA 0.122 4.672 4.550 0.000 0.000 0.334 221 Y C 0.113 175.802 175.900 -0.352 0.000 0.960 221 Y CA -1.161 56.803 58.100 -0.227 0.000 1.130 221 Y CB 1.042 39.461 38.460 -0.068 0.000 1.164 221 Y HN 0.579 nan 8.280 nan 0.000 0.458 222 D N 2.791 123.184 120.400 -0.011 0.000 2.586 222 D HA -0.108 4.532 4.640 0.000 0.000 0.234 222 D C 0.795 177.091 176.300 -0.006 0.000 1.132 222 D CA 1.091 55.100 54.000 0.015 0.000 0.860 222 D CB 0.163 41.013 40.800 0.083 0.000 1.159 222 D HN 0.706 nan 8.370 nan 0.000 0.490 223 N N 1.610 120.298 118.700 -0.020 0.000 2.708 223 N HA -0.246 4.494 4.740 0.000 0.000 0.249 223 N C 0.800 176.307 175.510 -0.004 0.000 1.097 223 N CA 1.737 54.782 53.050 -0.008 0.000 0.710 223 N CB -0.996 37.492 38.487 0.001 0.000 1.032 223 N HN 0.773 nan 8.380 nan 0.000 0.551 224 G N -0.950 107.848 108.800 -0.003 0.000 2.168 224 G HA2 -0.334 3.626 3.960 0.000 0.000 0.257 224 G HA3 -0.334 3.626 3.960 0.000 0.000 0.257 224 G C -0.197 174.744 174.900 0.069 0.000 0.997 224 G CA 0.486 45.630 45.100 0.073 0.000 0.708 224 G HN 0.667 nan 8.290 nan 0.000 0.520 225 E N 0.341 120.549 120.200 0.013 0.000 1.892 225 E HA 0.315 4.665 4.350 0.000 0.000 0.271 225 E C 1.247 177.728 176.600 -0.198 0.000 1.146 225 E CA 0.012 56.346 56.400 -0.110 0.000 1.096 225 E CB -0.191 29.467 29.700 -0.070 0.000 1.155 225 E HN 0.866 nan 8.360 nan 0.000 0.458 226 H N 0.771 119.678 119.070 -0.270 0.000 2.555 226 H HA 0.171 4.727 4.556 0.000 0.000 0.269 226 H C 1.317 176.333 175.328 -0.519 0.000 0.988 226 H CA 0.193 55.792 56.048 -0.748 0.000 1.178 226 H CB 0.100 29.532 29.762 -0.549 0.000 1.373 226 H HN 0.465 nan 8.280 nan 0.000 0.588 227 G N 0.510 108.986 108.800 -0.539 0.000 2.634 227 G HA2 -0.445 3.515 3.960 0.000 0.000 0.309 227 G HA3 -0.445 3.515 3.960 0.000 0.000 0.309 227 G C 1.428 176.226 174.900 -0.171 0.000 1.265 227 G CA 0.937 45.852 45.100 -0.307 0.000 0.998 227 G HN 0.481 nan 8.290 nan 0.000 0.551 228 S N 1.426 117.077 115.700 -0.081 0.000 2.515 228 S HA 0.045 4.515 4.470 0.000 0.000 0.231 228 S C 1.090 175.698 174.600 0.014 0.000 0.987 228 S CA 1.033 59.225 58.200 -0.013 0.000 0.936 228 S CB -0.286 62.915 63.200 0.000 0.000 0.766 228 S HN 0.604 nan 8.310 nan 0.000 0.528 229 N N 1.182 119.869 118.700 -0.021 0.000 2.399 229 N HA 0.460 5.200 4.740 0.000 0.000 0.250 229 N C -0.190 175.333 175.510 0.023 0.000 1.272 229 N CA -0.115 52.924 53.050 -0.019 0.000 0.928 229 N CB 0.305 38.715 38.487 -0.127 0.000 1.158 229 N HN 0.202 nan 8.380 nan 0.000 0.463 230 A N 1.176 123.981 122.820 -0.024 0.000 2.407 230 A HA 0.293 4.613 4.320 0.000 0.000 0.248 230 A C -2.112 175.308 177.584 -0.273 0.000 1.082 230 A CA -1.063 50.903 52.037 -0.120 0.000 0.785 230 A CB -0.182 18.774 19.000 -0.073 0.000 1.020 230 A HN 0.458 nan 8.150 nan 0.000 0.489 231 P HA 0.129 nan 4.420 nan 0.000 0.266 231 P C 0.598 177.831 177.300 -0.110 0.000 1.186 231 P CA 1.129 63.854 63.100 -0.626 0.000 0.767 231 P CB 0.690 32.132 31.700 -0.431 0.000 0.820 232 G N 1.304 110.152 108.800 0.081 0.000 3.135 232 G HA2 0.122 4.082 3.960 0.000 0.000 0.159 232 G HA3 0.122 4.082 3.960 0.000 0.000 0.159 232 G C 0.382 175.316 174.900 0.057 0.000 1.244 232 G CA -0.281 44.901 45.100 0.136 0.000 0.965 232 G HN 0.287 nan 8.290 nan 0.000 0.599 233 D N -0.488 119.927 120.400 0.025 0.000 2.104 233 D HA -0.137 4.503 4.640 0.000 0.000 0.194 233 D C 2.732 179.046 176.300 0.023 0.000 0.994 233 D CA 1.148 55.164 54.000 0.026 0.000 0.830 233 D CB -0.359 40.465 40.800 0.040 0.000 0.959 233 D HN 0.048 nan 8.370 nan 0.000 0.452 234 V N 1.306 121.216 119.914 -0.006 0.000 2.295 234 V HA -0.219 3.901 4.120 0.000 0.000 0.246 234 V C 2.319 178.422 176.094 0.016 0.000 1.049 234 V CA 1.669 63.962 62.300 -0.011 0.000 1.024 234 V CB -0.476 31.300 31.823 -0.079 0.000 0.648 234 V HN 0.201 nan 8.190 nan 0.000 0.447 235 E N -0.561 119.662 120.200 0.038 0.000 2.150 235 E HA -0.216 4.134 4.350 0.000 0.000 0.193 235 E C 2.120 178.730 176.600 0.018 0.000 0.985 235 E CA 1.333 57.754 56.400 0.034 0.000 0.814 235 E CB -0.155 29.569 29.700 0.040 0.000 0.752 235 E HN 0.597 nan 8.360 nan 0.000 0.466 236 M N 0.687 120.297 119.600 0.017 0.000 2.067 236 M HA -0.151 4.329 4.480 0.000 0.000 0.260 236 M C 2.325 178.634 176.300 0.015 0.000 1.069 236 M CA 1.788 57.098 55.300 0.017 0.000 1.117 236 M CB -0.062 32.553 32.600 0.025 0.000 1.334 236 M HN 0.106 nan 8.290 nan 0.000 0.407 237 A N 0.609 123.438 122.820 0.014 0.000 1.933 237 A HA -0.181 4.139 4.320 0.000 0.000 0.218 237 A C 2.062 179.644 177.584 -0.004 0.000 1.175 237 A CA 1.780 53.820 52.037 0.005 0.000 0.628 237 A CB -0.708 18.294 19.000 0.003 0.000 0.814 237 A HN 0.619 nan 8.150 nan 0.000 0.444 238 R N -0.805 119.694 120.500 -0.002 0.000 2.189 238 R HA 0.062 4.402 4.340 0.000 0.000 0.218 238 R C 1.995 178.294 176.300 -0.002 0.000 1.074 238 R CA 0.872 56.969 56.100 -0.005 0.000 0.991 238 R CB -0.224 30.076 30.300 -0.001 0.000 0.883 238 R HN 0.502 nan 8.270 nan 0.000 0.457 239 A N 0.468 123.290 122.820 0.004 0.000 2.195 239 A HA 0.197 4.517 4.320 0.000 0.000 0.210 239 A C 0.850 178.437 177.584 0.004 0.000 1.165 239 A CA -0.015 52.025 52.037 0.005 0.000 0.806 239 A CB 0.243 19.248 19.000 0.008 0.000 0.847 239 A HN 0.043 nan 8.150 nan 0.000 0.482 240 L N 1.160 122.385 121.223 0.004 0.000 2.439 240 L HA 0.314 4.654 4.340 0.000 0.000 0.259 240 L C -1.982 174.886 176.870 -0.002 0.000 1.129 240 L CA -2.264 52.579 54.840 0.004 0.000 0.803 240 L CB 0.731 42.794 42.059 0.007 0.000 1.161 240 L HN 0.099 nan 8.230 nan 0.000 0.462 241 P HA 0.048 nan 4.420 nan 0.000 0.271 241 P C -0.750 176.544 177.300 -0.009 0.000 1.218 241 P CA -0.394 62.703 63.100 -0.005 0.000 0.780 241 P CB 0.846 32.544 31.700 -0.003 0.000 0.901 242 A N 2.933 125.745 122.820 -0.014 0.000 2.600 242 A HA 0.248 4.568 4.320 0.000 0.000 0.244 242 A C 1.629 179.202 177.584 -0.017 0.000 1.016 242 A CA 0.797 52.821 52.037 -0.021 0.000 0.778 242 A CB -1.618 17.369 19.000 -0.022 0.000 0.920 242 A HN 0.932 nan 8.150 nan 0.000 0.513 243 G N 2.164 110.949 108.800 -0.025 0.000 2.361 243 G HA2 -0.292 3.668 3.960 0.000 0.000 0.294 243 G HA3 -0.292 3.668 3.960 0.000 0.000 0.294 243 G C 1.012 175.914 174.900 0.003 0.000 1.004 243 G CA 1.308 46.401 45.100 -0.012 0.000 0.870 243 G HN 2.168 nan 8.290 nan 0.000 0.510 244 S N -1.606 114.093 115.700 -0.000 0.000 2.555 244 S HA 0.403 4.874 4.470 0.000 0.000 0.230 244 S C 0.783 175.384 174.600 0.000 0.000 0.978 244 S CA 0.435 58.635 58.200 0.000 0.000 0.934 244 S CB 0.345 63.543 63.200 -0.003 0.000 0.766 244 S HN 0.541 nan 8.310 nan 0.000 0.533 245 L N 0.399 121.626 121.223 0.008 0.000 2.410 245 L HA 0.625 4.965 4.340 0.000 0.000 0.270 245 L C 1.078 177.965 176.870 0.030 0.000 0.983 245 L CA -0.543 54.305 54.840 0.012 0.000 0.822 245 L CB 1.751 43.823 42.059 0.022 0.000 1.285 245 L HN 0.089 nan 8.230 nan 0.000 0.409 246 A N 4.671 127.499 122.820 0.013 0.000 1.845 246 A HA 0.028 4.348 4.320 0.000 0.000 0.215 246 A C 0.676 178.351 177.584 0.152 0.000 1.195 246 A CA 1.563 53.620 52.037 0.033 0.000 0.616 246 A CB -0.037 18.874 19.000 -0.148 0.000 0.832 246 A HN 0.757 nan 8.150 nan 0.000 0.443 247 M N -2.960 116.701 119.600 0.101 0.000 2.644 247 M HA 0.682 5.163 4.480 0.000 0.000 0.273 247 M C -1.805 174.546 176.300 0.085 0.000 1.253 247 M CA -0.588 54.817 55.300 0.175 0.000 0.852 247 M CB 1.857 34.610 32.600 0.254 0.000 1.708 247 M HN -0.037 nan 8.290 nan 0.000 0.471 248 I N 2.236 122.853 120.570 0.079 0.000 2.355 248 I HA 0.420 4.591 4.170 0.000 0.000 0.288 248 I C -0.884 175.238 176.117 0.007 0.000 0.999 248 I CA -1.118 60.210 61.300 0.047 0.000 1.163 248 I CB 1.990 40.021 38.000 0.052 0.000 1.316 248 I HN 0.456 nan 8.210 nan 0.000 0.454 249 V N 6.502 126.414 119.914 -0.004 0.000 2.353 249 V HA 0.427 4.548 4.120 0.000 0.000 0.264 249 V C 0.835 176.955 176.094 0.043 0.000 1.049 249 V CA -0.140 62.133 62.300 -0.045 0.000 0.896 249 V CB 0.776 32.584 31.823 -0.025 0.000 1.025 249 V HN 0.910 nan 8.190 nan 0.000 0.475 250 G N 3.025 111.852 108.800 0.045 0.000 2.642 250 G HA2 0.886 4.846 3.960 0.000 0.000 0.291 250 G HA3 0.886 4.846 3.960 0.000 0.000 0.291 250 G C -0.050 174.889 174.900 0.065 0.000 1.345 250 G CA -0.111 45.020 45.100 0.052 0.000 1.043 250 G HN 1.075 nan 8.290 nan 0.000 0.528 251 G N -3.308 105.482 108.800 -0.017 0.000 2.428 251 G HA2 0.512 4.472 3.960 0.000 0.000 0.305 251 G HA3 0.512 4.472 3.960 0.000 0.000 0.305 251 G C -0.074 174.687 174.900 -0.231 0.000 1.260 251 G CA 1.039 46.102 45.100 -0.063 0.000 0.853 251 G HN 1.655 nan 8.290 nan 0.000 0.480 252 H N -1.372 117.417 119.070 -0.468 0.000 4.781 252 H HA -0.332 4.224 4.556 0.000 0.000 0.070 252 H C 2.351 177.632 175.328 -0.079 0.000 0.602 252 H CA 3.873 59.683 56.048 -0.398 0.000 0.972 252 H CB -1.430 27.941 29.762 -0.652 0.000 0.429 252 H HN 1.235 nan 8.280 nan 0.000 0.793 253 S N 1.076 116.651 115.700 -0.208 0.000 2.423 253 S HA -0.076 4.394 4.470 0.000 0.000 0.231 253 S C 0.966 175.506 174.600 -0.100 0.000 1.014 253 S CA 1.243 59.320 58.200 -0.206 0.000 0.965 253 S CB -0.100 62.945 63.200 -0.260 0.000 0.785 253 S HN 0.740 nan 8.310 nan 0.000 0.495 254 Q N 1.325 121.091 119.800 -0.056 0.000 2.464 254 Q HA -0.114 4.226 4.340 0.000 0.000 0.304 254 Q C -1.420 174.639 176.000 0.099 0.000 1.401 254 Q CA 0.769 56.567 55.803 -0.008 0.000 0.806 254 Q CB -1.712 26.988 28.738 -0.064 0.000 1.134 254 Q HN 0.682 nan 8.270 nan 0.000 0.411 255 D N 0.813 121.245 120.400 0.054 0.000 2.433 255 D HA 0.399 5.039 4.640 0.000 0.000 0.236 255 D C -2.446 173.807 176.300 -0.077 0.000 1.026 255 D CA -1.545 52.459 54.000 0.007 0.000 0.884 255 D CB 1.909 42.668 40.800 -0.069 0.000 1.384 255 D HN -0.068 nan 8.370 nan 0.000 0.477 256 P HA 0.121 nan 4.420 nan 0.000 0.292 256 P C -0.211 176.848 177.300 -0.401 0.000 1.326 256 P CA -0.423 62.441 63.100 -0.393 0.000 0.787 256 P CB 1.105 32.384 31.700 -0.703 0.000 0.903 257 V N 5.298 125.006 119.914 -0.342 0.000 2.352 257 V HA 0.070 4.190 4.120 0.000 0.000 0.253 257 V C 0.399 176.263 176.094 -0.384 0.000 1.083 257 V CA 0.274 62.338 62.300 -0.394 0.000 0.993 257 V CB -0.499 31.050 31.823 -0.455 0.000 1.111 257 V HN 0.652 nan 8.190 nan 0.000 0.490 258 c N 6.849 125.231 118.600 -0.364 0.000 2.340 258 c HA 0.585 5.155 4.570 0.000 0.000 0.323 258 c C 0.203 174.202 174.090 -0.152 0.000 1.260 258 c CA -1.163 54.995 56.329 -0.285 0.000 1.464 258 c CB 1.013 43.272 42.510 -0.417 0.000 2.156 258 c HN 0.650 nan 8.230 nan 0.000 0.476 259 M N 2.529 122.071 119.600 -0.098 0.000 2.185 259 M HA 0.284 4.764 4.480 0.000 0.000 0.357 259 M C 0.966 177.262 176.300 -0.007 0.000 1.260 259 M CA -0.275 54.999 55.300 -0.044 0.000 1.124 259 M CB 0.456 33.042 32.600 -0.024 0.000 1.600 259 M HN 0.861 nan 8.290 nan 0.000 0.467 260 A N 2.871 125.694 122.820 0.004 0.000 1.871 260 A HA 0.569 4.890 4.320 0.000 0.000 0.211 260 A C 1.016 178.608 177.584 0.014 0.000 1.207 260 A CA 1.197 53.243 52.037 0.015 0.000 0.620 260 A CB 0.037 19.048 19.000 0.017 0.000 0.860 260 A HN 0.824 nan 8.150 nan 0.000 0.450 261 A N -0.862 121.966 122.820 0.013 0.000 2.486 261 A HA 0.606 4.926 4.320 0.000 0.000 0.277 261 A C -0.483 177.109 177.584 0.013 0.000 1.282 261 A CA -0.361 51.684 52.037 0.012 0.000 0.784 261 A CB 0.254 19.261 19.000 0.011 0.000 1.350 261 A HN 0.286 nan 8.150 nan 0.000 0.454 262 E N 0.785 120.991 120.200 0.009 0.000 2.344 262 E HA 0.150 4.500 4.350 0.000 0.000 0.270 262 E C -0.493 176.117 176.600 0.016 0.000 1.021 262 E CA -0.041 56.364 56.400 0.008 0.000 0.887 262 E CB 0.063 29.763 29.700 -0.001 0.000 0.997 262 E HN 0.508 nan 8.360 nan 0.000 0.429 263 N N 3.306 122.023 118.700 0.027 0.000 2.721 263 N HA -0.206 4.534 4.740 0.000 0.000 0.249 263 N C -1.399 174.144 175.510 0.055 0.000 1.072 263 N CA 1.207 54.284 53.050 0.045 0.000 0.710 263 N CB -0.756 37.745 38.487 0.023 0.000 0.993 263 N HN 0.511 nan 8.380 nan 0.000 0.547 264 K N 0.448 120.882 120.400 0.057 0.000 2.656 264 K HA 0.244 4.564 4.320 0.000 0.000 0.253 264 K C -0.405 176.219 176.600 0.039 0.000 1.002 264 K CA -0.561 55.757 56.287 0.052 0.000 0.880 264 K CB 1.984 34.502 32.500 0.030 0.000 1.232 264 K HN -0.022 nan 8.250 nan 0.000 0.456 265 K N 1.923 122.352 120.400 0.048 0.000 2.258 265 K HA 0.111 4.431 4.320 0.000 0.000 0.264 265 K C 0.081 176.680 176.600 -0.002 0.000 1.007 265 K CA -0.241 56.040 56.287 -0.011 0.000 0.941 265 K CB 0.669 33.147 32.500 -0.037 0.000 0.966 265 K HN 0.407 nan 8.250 nan 0.000 0.480 266 Q N 0.766 120.561 119.800 -0.008 0.000 2.395 266 Q HA -0.027 4.313 4.340 0.000 0.000 0.271 266 Q C 1.023 177.034 176.000 0.019 0.000 1.026 266 Q CA -0.332 55.486 55.803 0.024 0.000 0.900 266 Q CB 0.812 29.595 28.738 0.075 0.000 1.266 266 Q HN 0.387 nan 8.270 nan 0.000 0.430 267 V N 0.936 120.861 119.914 0.019 0.000 2.407 267 V HA -0.113 4.007 4.120 0.000 0.000 0.245 267 V C 0.335 176.436 176.094 0.012 0.000 1.041 267 V CA 1.524 63.831 62.300 0.011 0.000 1.040 267 V CB 0.119 31.946 31.823 0.007 0.000 0.671 267 V HN 0.775 nan 8.190 nan 0.000 0.455 268 D N -0.419 119.992 120.400 0.018 0.000 2.441 268 D HA 0.183 4.823 4.640 0.000 0.000 0.287 268 D C -0.846 175.464 176.300 0.016 0.000 1.198 268 D CA -0.428 53.579 54.000 0.012 0.000 0.894 268 D CB 0.765 41.566 40.800 0.002 0.000 1.070 268 D HN 0.352 nan 8.370 nan 0.000 0.499 269 Y N 1.458 121.704 120.300 -0.090 0.000 2.810 269 Y HA -0.010 4.540 4.550 0.000 0.000 0.332 269 Y C -0.395 175.453 175.900 -0.086 0.000 1.243 269 Y CA 0.294 58.331 58.100 -0.105 0.000 1.537 269 Y CB 0.515 38.873 38.460 -0.170 0.000 1.265 269 Y HN -0.016 nan 8.280 nan 0.000 0.572 270 V N 9.889 129.308 119.914 -0.824 0.000 2.370 270 V HA 0.265 4.385 4.120 0.000 0.000 0.279 270 V C -1.902 173.637 176.094 -0.925 0.000 1.029 270 V CA -1.996 59.930 62.300 -0.624 0.000 0.870 270 V CB 0.959 32.589 31.823 -0.321 0.000 0.984 270 V HN 0.745 nan 8.190 nan 0.000 0.451 271 P HA 0.098 nan 4.420 nan 0.000 0.267 271 P C 0.871 177.956 177.300 -0.359 0.000 1.200 271 P CA 1.219 64.060 63.100 -0.432 0.000 0.772 271 P CB 0.980 32.322 31.700 -0.596 0.000 0.855 272 G N 1.130 109.875 108.800 -0.092 0.000 2.199 272 G HA2 -0.205 3.755 3.960 0.000 0.000 0.254 272 G HA3 -0.205 3.755 3.960 0.000 0.000 0.254 272 G C 0.306 175.185 174.900 -0.035 0.000 0.982 272 G CA 0.480 45.567 45.100 -0.021 0.000 0.632 272 G HN 0.938 nan 8.290 nan 0.000 0.529 273 T N -0.950 113.532 114.554 -0.120 0.000 2.943 273 T HA 0.666 5.017 4.350 0.000 0.000 0.284 273 T C -2.349 172.394 174.700 0.071 0.000 1.015 273 T CA -1.590 60.465 62.100 -0.076 0.000 1.042 273 T CB 2.265 71.021 68.868 -0.187 0.000 1.055 273 T HN 0.039 nan 8.240 nan 0.000 0.500 274 P HA 0.209 nan 4.420 nan 0.000 0.264 274 P C -0.801 176.612 177.300 0.188 0.000 1.183 274 P CA -0.303 62.855 63.100 0.098 0.000 0.763 274 P CB 0.194 31.927 31.700 0.054 0.000 0.807 275 c N 4.940 123.619 118.600 0.133 0.000 2.364 275 c HA 0.439 5.010 4.570 0.000 0.000 0.324 275 c C -0.332 173.795 174.090 0.061 0.000 1.234 275 c CA -0.667 55.702 56.329 0.066 0.000 1.417 275 c CB -0.186 42.296 42.510 -0.046 0.000 2.101 275 c HN 0.547 nan 8.230 nan 0.000 0.466 276 K N 6.710 127.102 120.400 -0.013 0.000 2.334 276 K HA 0.469 4.789 4.320 0.000 0.000 0.265 276 K C -2.489 174.046 176.600 -0.108 0.000 1.039 276 K CA -1.380 54.889 56.287 -0.030 0.000 0.920 276 K CB 1.028 33.536 32.500 0.014 0.000 1.160 276 K HN 0.455 nan 8.250 nan 0.000 0.451 277 P HA -0.067 nan 4.420 nan 0.000 0.270 277 P C -0.865 176.448 177.300 0.021 0.000 1.227 277 P CA -0.105 62.831 63.100 -0.273 0.000 0.788 277 P CB 0.546 31.946 31.700 -0.501 0.000 0.926 278 D N 0.380 120.775 120.400 -0.008 0.000 2.340 278 D HA 0.261 4.901 4.640 0.000 0.000 0.251 278 D C -0.913 175.425 176.300 0.063 0.000 1.080 278 D CA -0.102 53.914 54.000 0.028 0.000 0.971 278 D CB 0.664 41.474 40.800 0.018 0.000 1.137 278 D HN 0.168 nan 8.370 nan 0.000 0.475 279 Q N 1.463 121.200 119.800 -0.105 0.000 2.296 279 Q HA 0.241 4.581 4.340 0.000 0.000 0.254 279 Q C -1.694 174.169 176.000 -0.229 0.000 0.936 279 Q CA -0.766 54.826 55.803 -0.353 0.000 0.834 279 Q CB 1.118 29.312 28.738 -0.906 0.000 1.340 279 Q HN 0.307 nan 8.270 nan 0.000 0.428 280 Q N 2.745 122.446 119.800 -0.165 0.000 2.310 280 Q HA 0.261 4.601 4.340 0.000 0.000 0.270 280 Q C -0.595 175.339 176.000 -0.109 0.000 1.025 280 Q CA -0.484 55.256 55.803 -0.105 0.000 0.772 280 Q CB 1.716 30.430 28.738 -0.041 0.000 1.253 280 Q HN 0.883 nan 8.270 nan 0.000 0.450 281 N N 1.522 120.161 118.700 -0.102 0.000 2.725 281 N HA -0.244 4.496 4.740 0.000 0.000 0.249 281 N C 0.525 175.971 175.510 -0.107 0.000 1.103 281 N CA 1.900 54.900 53.050 -0.083 0.000 0.707 281 N CB -0.983 37.473 38.487 -0.052 0.000 1.043 281 N HN 1.077 nan 8.380 nan 0.000 0.553 282 G N -1.562 107.134 108.800 -0.173 0.000 2.148 282 G HA2 -0.283 3.677 3.960 0.000 0.000 0.254 282 G HA3 -0.283 3.677 3.960 0.000 0.000 0.254 282 G C 0.099 174.861 174.900 -0.231 0.000 0.981 282 G CA 0.426 45.400 45.100 -0.210 0.000 0.670 282 G HN 0.569 nan 8.290 nan 0.000 0.528 283 I N -0.180 120.263 120.570 -0.212 0.000 2.362 283 I HA 0.413 4.583 4.170 0.000 0.000 0.289 283 I C 0.312 176.348 176.117 -0.135 0.000 0.994 283 I CA -1.138 60.091 61.300 -0.118 0.000 1.158 283 I CB 0.916 38.897 38.000 -0.032 0.000 1.315 283 I HN 0.111 nan 8.210 nan 0.000 0.451 284 W N 6.872 128.184 121.300 0.021 0.000 2.216 284 W HA 0.401 5.061 4.660 0.000 0.000 0.326 284 W C -0.170 176.322 176.519 -0.046 0.000 1.319 284 W CA -0.148 57.187 57.345 -0.016 0.000 1.213 284 W CB 0.509 29.982 29.460 0.021 0.000 1.171 284 W HN 0.229 nan 8.180 nan 0.000 0.557 285 I N 5.116 125.803 120.570 0.195 0.000 2.418 285 I HA 0.358 4.528 4.170 0.000 0.000 0.287 285 I C -0.170 175.917 176.117 -0.050 0.000 1.008 285 I CA -1.155 60.186 61.300 0.069 0.000 1.104 285 I CB 0.799 38.853 38.000 0.090 0.000 1.264 285 I HN 0.144 nan 8.210 nan 0.000 0.438 286 V N 2.880 122.729 119.914 -0.108 0.000 3.046 286 V HA 0.762 4.882 4.120 0.000 0.000 0.316 286 V C -0.883 175.189 176.094 -0.038 0.000 1.104 286 V CA -0.512 61.679 62.300 -0.181 0.000 1.006 286 V CB 1.987 33.606 31.823 -0.340 0.000 1.058 286 V HN 0.903 nan 8.190 nan 0.000 0.440 287 Q N 1.141 120.992 119.800 0.085 0.000 2.468 287 Q HA 0.656 4.996 4.340 0.000 0.000 0.263 287 Q C -0.844 175.220 176.000 0.106 0.000 0.979 287 Q CA -0.066 55.817 55.803 0.132 0.000 0.932 287 Q CB 2.073 30.810 28.738 -0.000 0.000 1.462 287 Q HN 1.369 nan 8.270 nan 0.000 0.403 288 A N 2.855 125.730 122.820 0.091 0.000 2.577 288 A HA 0.307 4.627 4.320 0.000 0.000 0.280 288 A C 0.256 177.925 177.584 0.141 0.000 1.331 288 A CA 0.966 52.995 52.037 -0.014 0.000 0.935 288 A CB -0.417 18.490 19.000 -0.156 0.000 1.082 288 A HN 1.016 nan 8.150 nan 0.000 0.525 289 H N 0.487 119.529 119.070 -0.048 0.000 1.457 289 H HA -0.245 4.311 4.556 0.000 0.000 0.090 289 H C 0.065 175.350 175.328 -0.072 0.000 0.623 289 H CA 2.388 58.412 56.048 -0.040 0.000 1.900 289 H CB -1.141 28.677 29.762 0.095 0.000 2.256 289 H HN 0.769 nan 8.280 nan 0.000 0.961 290 E N -1.493 118.447 120.200 -0.434 0.000 2.417 290 E HA 0.316 4.666 4.350 0.000 0.000 0.280 290 E C -0.793 175.557 176.600 -0.417 0.000 1.112 290 E CA -0.152 55.959 56.400 -0.483 0.000 0.863 290 E CB 0.597 29.745 29.700 -0.920 0.000 1.346 290 E HN 0.481 nan 8.360 nan 0.000 0.443 291 W N 0.172 121.226 121.300 -0.410 0.000 4.233 291 W HA -0.200 4.460 4.660 0.000 0.000 0.328 291 W C 1.105 177.301 176.519 -0.538 0.000 1.212 291 W CA 2.154 59.101 57.345 -0.664 0.000 0.752 291 W CB -2.321 26.388 29.460 -1.252 0.000 2.277 291 W HN 1.631 nan 8.180 nan 0.000 1.465 292 G N -1.245 107.547 108.800 -0.013 0.000 2.148 292 G HA2 -0.424 3.536 3.960 0.000 0.000 0.254 292 G HA3 -0.424 3.536 3.960 0.000 0.000 0.254 292 G C 1.346 176.242 174.900 -0.008 0.000 0.981 292 G CA 0.776 45.916 45.100 0.066 0.000 0.670 292 G HN 0.424 nan 8.290 nan 0.000 0.528 293 K N -1.417 118.903 120.400 -0.134 0.000 2.148 293 K HA 0.092 4.413 4.320 0.000 0.000 0.204 293 K C 0.338 176.772 176.600 -0.277 0.000 1.050 293 K CA 1.095 57.276 56.287 -0.177 0.000 0.942 293 K CB 0.082 32.424 32.500 -0.263 0.000 0.724 293 K HN 0.549 nan 8.250 nan 0.000 0.446 294 Y N -0.939 119.372 120.300 0.018 0.000 2.477 294 Y HA 0.327 4.877 4.550 0.000 0.000 0.347 294 Y C -0.624 175.229 175.900 -0.077 0.000 0.981 294 Y CA -1.247 56.841 58.100 -0.020 0.000 1.033 294 Y CB 1.837 40.275 38.460 -0.037 0.000 1.245 294 Y HN -0.414 nan 8.280 nan 0.000 0.455 295 V N 2.699 122.653 119.914 0.066 0.000 2.334 295 V HA 0.559 4.679 4.120 0.000 0.000 0.281 295 V C 0.411 176.408 176.094 -0.162 0.000 1.016 295 V CA -0.791 61.471 62.300 -0.064 0.000 0.832 295 V CB 1.107 32.898 31.823 -0.053 0.000 0.999 295 V HN 0.956 nan 8.190 nan 0.000 0.439 296 G N 4.147 112.720 108.800 -0.377 0.000 2.432 296 G HA2 0.506 4.466 3.960 0.000 0.000 0.257 296 G HA3 0.506 4.466 3.960 0.000 0.000 0.257 296 G C -0.293 174.490 174.900 -0.196 0.000 1.238 296 G CA -0.384 44.467 45.100 -0.415 0.000 0.838 296 G HN 0.665 nan 8.290 nan 0.000 0.547 297 R N 1.258 121.538 120.500 -0.366 0.000 2.502 297 R HA 0.558 4.898 4.340 0.000 0.000 0.298 297 R C -0.917 175.187 176.300 -0.328 0.000 1.018 297 R CA -0.614 55.338 56.100 -0.246 0.000 0.899 297 R CB 1.355 31.517 30.300 -0.231 0.000 1.181 297 R HN 0.621 nan 8.270 nan 0.000 0.444 298 A N 4.281 127.070 122.820 -0.052 0.000 2.304 298 A HA 0.397 4.717 4.320 0.000 0.000 0.314 298 A C -1.144 176.342 177.584 -0.162 0.000 1.187 298 A CA -0.784 51.201 52.037 -0.088 0.000 0.810 298 A CB 0.974 19.980 19.000 0.009 0.000 1.183 298 A HN 0.715 nan 8.150 nan 0.000 0.487 299 D N 2.158 122.386 120.400 -0.286 0.000 2.233 299 D HA 0.573 5.213 4.640 0.000 0.000 0.240 299 D C -0.930 175.210 176.300 -0.266 0.000 1.074 299 D CA 0.536 54.444 54.000 -0.154 0.000 0.838 299 D CB 1.221 41.951 40.800 -0.117 0.000 1.124 299 D HN 0.331 nan 8.370 nan 0.000 0.475 300 F N 0.442 120.381 119.950 -0.018 0.000 2.598 300 F HA 0.358 4.886 4.527 0.000 0.000 0.327 300 F C 0.700 176.531 175.800 0.052 0.000 1.057 300 F CA -0.871 57.136 58.000 0.012 0.000 0.957 300 F CB 1.785 40.806 39.000 0.035 0.000 1.278 300 F HN 0.016 nan 8.300 nan 0.000 0.484 301 E N 1.358 121.741 120.200 0.304 0.000 2.218 301 E HA 0.287 4.637 4.350 0.000 0.000 0.263 301 E C -1.765 174.993 176.600 0.263 0.000 0.879 301 E CA -0.655 55.880 56.400 0.224 0.000 0.762 301 E CB 2.559 32.333 29.700 0.123 0.000 1.166 301 E HN 0.411 nan 8.360 nan 0.000 0.415 302 F N 3.471 123.484 119.950 0.106 0.000 2.436 302 F HA 0.502 5.029 4.527 0.000 0.000 0.340 302 F C -0.486 175.346 175.800 0.054 0.000 1.113 302 F CA -0.545 57.481 58.000 0.044 0.000 1.022 302 F CB 0.933 39.919 39.000 -0.023 0.000 1.128 302 F HN 0.310 nan 8.300 nan 0.000 0.466 303 R N 5.128 125.247 120.500 -0.635 0.000 2.515 303 R HA 0.239 4.579 4.340 0.000 0.000 0.278 303 R C -0.815 175.102 176.300 -0.639 0.000 1.107 303 R CA -0.511 55.312 56.100 -0.461 0.000 0.945 303 R CB 0.788 30.986 30.300 -0.170 0.000 1.219 303 R HN 0.829 nan 8.270 nan 0.000 0.434 304 N N 2.694 121.079 118.700 -0.525 0.000 2.721 304 N HA -0.224 4.516 4.740 0.000 0.000 0.249 304 N C 0.663 175.943 175.510 -0.383 0.000 1.072 304 N CA 1.876 54.775 53.050 -0.252 0.000 0.710 304 N CB -1.096 37.344 38.487 -0.079 0.000 0.993 304 N HN 1.104 nan 8.380 nan 0.000 0.547 305 G N -0.740 107.492 108.800 -0.946 0.000 2.253 305 G HA2 -0.372 3.588 3.960 0.000 0.000 0.251 305 G HA3 -0.372 3.588 3.960 0.000 0.000 0.251 305 G C -0.166 174.498 174.900 -0.393 0.000 0.998 305 G CA 0.561 45.397 45.100 -0.440 0.000 0.621 305 G HN 0.683 nan 8.290 nan 0.000 0.524 306 E N 0.411 120.311 120.200 -0.500 0.000 2.259 306 E HA 0.541 4.892 4.350 0.000 0.000 0.281 306 E C -0.042 176.459 176.600 -0.165 0.000 1.037 306 E CA -0.680 55.590 56.400 -0.218 0.000 0.854 306 E CB 0.336 29.951 29.700 -0.141 0.000 1.051 306 E HN 0.230 nan 8.360 nan 0.000 0.409 307 M N 5.545 125.202 119.600 0.097 0.000 2.101 307 M HA 0.251 4.731 4.480 0.000 0.000 0.340 307 M C -1.267 175.221 176.300 0.313 0.000 1.057 307 M CA -0.198 55.260 55.300 0.263 0.000 0.984 307 M CB 0.776 33.513 32.600 0.227 0.000 1.560 307 M HN 0.309 nan 8.290 nan 0.000 0.435 308 K N 5.526 126.136 120.400 0.350 0.000 2.376 308 K HA 0.425 4.745 4.320 0.000 0.000 0.257 308 K C -1.345 175.426 176.600 0.286 0.000 0.939 308 K CA -0.510 55.970 56.287 0.321 0.000 0.809 308 K CB 1.539 34.139 32.500 0.166 0.000 1.121 308 K HN 0.900 nan 8.250 nan 0.000 0.425 309 M N 6.292 125.951 119.600 0.099 0.000 2.156 309 M HA 0.068 4.548 4.480 0.000 0.000 0.345 309 M C -0.161 175.973 176.300 -0.276 0.000 1.398 309 M CA -0.095 54.892 55.300 -0.522 0.000 1.148 309 M CB 1.058 33.019 32.600 -1.065 0.000 1.663 309 M HN 0.586 nan 8.290 nan 0.000 0.464 310 V N 5.419 125.193 119.914 -0.234 0.000 3.647 310 V HA 0.281 4.401 4.120 0.000 0.000 0.279 310 V C -0.569 175.433 176.094 -0.153 0.000 1.314 310 V CA 0.599 62.824 62.300 -0.126 0.000 1.125 310 V CB -0.541 31.248 31.823 -0.057 0.000 0.907 310 V HN 0.996 nan 8.190 nan 0.000 0.434 311 N N -0.637 117.916 118.700 -0.245 0.000 3.340 311 N HA 0.262 5.002 4.740 0.000 0.000 0.234 311 N C -1.944 173.436 175.510 -0.216 0.000 1.196 311 N CA -0.444 52.489 53.050 -0.194 0.000 0.958 311 N CB 1.225 39.628 38.487 -0.141 0.000 1.608 311 N HN 0.079 nan 8.380 nan 0.000 0.515 312 Y N 1.486 121.618 120.300 -0.279 0.000 2.544 312 Y HA 0.557 5.108 4.550 0.000 0.000 0.342 312 Y C -1.660 174.139 175.900 -0.168 0.000 1.062 312 Y CA -0.261 57.678 58.100 -0.269 0.000 1.023 312 Y CB 1.444 39.686 38.460 -0.363 0.000 1.308 312 Y HN 0.694 nan 8.280 nan 0.000 0.457 313 Q N 4.631 123.813 119.800 -1.029 0.000 2.545 313 Q HA 0.461 4.802 4.340 0.000 0.000 0.273 313 Q C -2.599 172.994 176.000 -0.678 0.000 0.975 313 Q CA -1.127 54.338 55.803 -0.563 0.000 0.876 313 Q CB 2.249 30.819 28.738 -0.280 0.000 1.472 313 Q HN 0.657 nan 8.270 nan 0.000 0.389 314 L N 2.803 123.826 121.223 -0.333 0.000 2.277 314 L HA 0.511 4.851 4.340 0.000 0.000 0.284 314 L C -1.148 175.713 176.870 -0.014 0.000 1.028 314 L CA -0.480 54.207 54.840 -0.256 0.000 0.835 314 L CB 1.232 43.052 42.059 -0.399 0.000 1.215 314 L HN 0.687 nan 8.230 nan 0.000 0.425 315 I N 7.941 128.515 120.570 0.008 0.000 2.308 315 I HA 0.243 4.413 4.170 0.000 0.000 0.293 315 I C -1.842 174.378 176.117 0.171 0.000 1.078 315 I CA -1.666 59.677 61.300 0.072 0.000 1.292 315 I CB 0.851 38.843 38.000 -0.014 0.000 1.423 315 I HN 0.441 nan 8.210 nan 0.000 0.493 316 P HA 0.019 nan 4.420 nan 0.000 0.271 316 P C -0.414 176.878 177.300 -0.013 0.000 1.216 316 P CA -0.051 63.044 63.100 -0.008 0.000 0.771 316 P CB 1.399 33.076 31.700 -0.039 0.000 0.864 317 V N 4.689 124.582 119.914 -0.036 0.000 2.247 317 V HA 0.115 4.235 4.120 0.000 0.000 0.262 317 V C 0.674 176.789 176.094 0.035 0.000 1.096 317 V CA -0.400 61.913 62.300 0.021 0.000 0.895 317 V CB -0.977 30.881 31.823 0.058 0.000 1.141 317 V HN 0.644 nan 8.190 nan 0.000 0.478 318 N N 2.032 120.747 118.700 0.025 0.000 2.735 318 N HA -0.174 4.566 4.740 0.000 0.000 0.248 318 N C -0.115 175.423 175.510 0.048 0.000 1.083 318 N CA 0.652 53.717 53.050 0.025 0.000 0.703 318 N CB -0.874 37.608 38.487 -0.008 0.000 1.005 318 N HN 0.591 nan 8.380 nan 0.000 0.550 319 L N 0.040 121.311 121.223 0.080 0.000 2.426 319 L HA 0.186 4.526 4.340 0.000 0.000 0.271 319 L C 0.925 177.953 176.870 0.264 0.000 1.169 319 L CA 0.409 55.335 54.840 0.144 0.000 0.836 319 L CB 0.532 42.618 42.059 0.045 0.000 1.112 319 L HN -0.048 nan 8.230 nan 0.000 0.465 320 K N 2.542 123.062 120.400 0.199 0.000 2.375 320 K HA 0.439 4.759 4.320 0.000 0.000 0.249 320 K C -1.065 175.490 176.600 -0.074 0.000 0.942 320 K CA -0.966 55.332 56.287 0.017 0.000 0.806 320 K CB 2.515 34.992 32.500 -0.039 0.000 1.227 320 K HN 0.454 nan 8.250 nan 0.000 0.430 321 K N 1.299 121.432 120.400 -0.446 0.000 2.164 321 K HA 0.330 4.650 4.320 0.000 0.000 0.258 321 K C -0.825 175.618 176.600 -0.261 0.000 0.951 321 K CA -0.969 55.077 56.287 -0.401 0.000 0.844 321 K CB 1.947 33.989 32.500 -0.763 0.000 1.099 321 K HN 0.312 nan 8.250 nan 0.000 0.435 322 K N 3.136 123.429 120.400 -0.179 0.000 2.285 322 K HA 0.146 4.466 4.320 0.000 0.000 0.286 322 K C -0.287 176.234 176.600 -0.132 0.000 1.072 322 K CA -0.650 55.539 56.287 -0.164 0.000 0.913 322 K CB 0.789 33.199 32.500 -0.151 0.000 1.067 322 K HN 0.646 nan 8.250 nan 0.000 0.479 331 E N -0.151 120.002 120.200 -0.078 0.000 2.429 331 E HA 0.540 4.890 4.350 0.000 0.000 0.276 331 E C -1.333 175.193 176.600 -0.124 0.000 0.953 331 E CA -1.049 55.299 56.400 -0.086 0.000 0.787 331 E CB 2.130 31.787 29.700 -0.073 0.000 1.307 331 E HN 0.566 nan 8.360 nan 0.000 0.458 332 R N 1.059 121.479 120.500 -0.133 0.000 2.288 332 R HA 0.429 4.769 4.340 0.000 0.000 0.326 332 R C -1.147 175.070 176.300 -0.138 0.000 0.959 332 R CA -0.544 55.453 56.100 -0.172 0.000 0.834 332 R CB 1.831 31.994 30.300 -0.228 0.000 1.157 332 R HN 0.194 nan 8.270 nan 0.000 0.470 333 V N 5.557 125.366 119.914 -0.176 0.000 2.513 333 V HA 0.392 4.513 4.120 0.000 0.000 0.299 333 V C -0.019 175.955 176.094 -0.200 0.000 1.035 333 V CA -0.923 61.281 62.300 -0.161 0.000 0.889 333 V CB 1.533 33.262 31.823 -0.156 0.000 0.988 333 V HN 0.667 nan 8.190 nan 0.000 0.440 334 L N 6.139 127.297 121.223 -0.109 0.000 2.525 334 L HA 0.048 4.388 4.340 0.000 0.000 0.278 334 L C 0.521 177.350 176.870 -0.068 0.000 1.218 334 L CA 0.561 55.370 54.840 -0.051 0.000 0.878 334 L CB 0.116 42.171 42.059 -0.005 0.000 1.127 334 L HN 0.787 nan 8.230 nan 0.000 0.492 335 Y N 0.369 120.652 120.300 -0.029 0.000 2.395 335 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 335 Y C 1.492 177.380 175.900 -0.020 0.000 1.123 335 Y CA 0.671 58.755 58.100 -0.027 0.000 1.227 335 Y CB 0.166 38.612 38.460 -0.024 0.000 1.012 335 Y HN 0.711 nan 8.280 nan 0.000 0.552 336 T N -4.096 110.546 114.554 0.146 0.000 2.865 336 T HA 0.480 4.830 4.350 0.000 0.000 0.294 336 T C -2.931 171.794 174.700 0.042 0.000 1.119 336 T CA -2.455 59.691 62.100 0.077 0.000 1.007 336 T CB 1.686 70.596 68.868 0.069 0.000 1.225 336 T HN -0.409 nan 8.240 nan 0.000 0.515 337 P HA 0.123 nan 4.420 nan 0.000 0.264 337 P C -0.244 177.061 177.300 0.008 0.000 1.179 337 P CA 0.008 63.113 63.100 0.009 0.000 0.763 337 P CB 0.299 32.002 31.700 0.004 0.000 0.806 338 E N 2.699 122.899 120.200 0.001 0.000 2.392 338 E HA 0.113 4.464 4.350 0.000 0.000 0.264 338 E C -0.601 175.995 176.600 -0.007 0.000 1.024 338 E CA -0.210 56.188 56.400 -0.003 0.000 0.903 338 E CB 0.290 29.984 29.700 -0.010 0.000 0.963 338 E HN 0.321 nan 8.360 nan 0.000 0.432 339 I N 3.795 124.359 120.570 -0.010 0.000 2.339 339 I HA 0.282 4.452 4.170 0.000 0.000 0.290 339 I C 0.375 176.478 176.117 -0.022 0.000 0.994 339 I CA -0.731 60.561 61.300 -0.013 0.000 1.191 339 I CB 1.456 39.451 38.000 -0.010 0.000 1.343 339 I HN 0.571 nan 8.210 nan 0.000 0.458 340 A N 6.228 129.034 122.820 -0.022 0.000 2.448 340 A HA 0.184 4.504 4.320 0.000 0.000 0.239 340 A C 0.149 177.710 177.584 -0.038 0.000 1.080 340 A CA -0.150 51.870 52.037 -0.029 0.000 0.779 340 A CB 0.158 19.146 19.000 -0.021 0.000 1.026 340 A HN 0.738 nan 8.150 nan 0.000 0.499 341 E N 1.716 121.885 120.200 -0.053 0.000 2.130 341 E HA 0.045 4.395 4.350 0.000 0.000 0.284 341 E C -0.319 176.253 176.600 -0.047 0.000 1.018 341 E CA -0.531 55.827 56.400 -0.070 0.000 0.817 341 E CB 0.710 30.337 29.700 -0.123 0.000 1.078 341 E HN 0.669 nan 8.360 nan 0.000 0.396 342 N N 3.174 121.854 118.700 -0.032 0.000 2.411 342 N HA -0.118 4.622 4.740 0.000 0.000 0.261 342 N C 0.665 176.171 175.510 -0.007 0.000 1.248 342 N CA 0.262 53.304 53.050 -0.012 0.000 0.885 342 N CB 0.761 39.247 38.487 -0.001 0.000 1.062 342 N HN 0.465 nan 8.380 nan 0.000 0.471 343 Q N 2.530 122.332 119.800 0.003 0.000 2.230 343 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 343 Q C 1.516 177.536 176.000 0.033 0.000 0.963 343 Q CA 1.036 56.849 55.803 0.016 0.000 0.866 343 Q CB -0.080 28.668 28.738 0.016 0.000 0.931 343 Q HN 0.754 nan 8.270 nan 0.000 0.452 344 Q N -0.142 119.678 119.800 0.033 0.000 2.119 344 Q HA -0.137 4.203 4.340 0.000 0.000 0.201 344 Q C 1.967 178.005 176.000 0.062 0.000 0.972 344 Q CA 1.051 56.881 55.803 0.044 0.000 0.847 344 Q CB 0.081 28.843 28.738 0.038 0.000 0.903 344 Q HN 0.206 nan 8.270 nan 0.000 0.433 345 M N 0.367 120.001 119.600 0.057 0.000 2.099 345 M HA -0.133 4.347 4.480 0.000 0.000 0.262 345 M C 1.685 178.050 176.300 0.109 0.000 1.067 345 M CA 1.324 56.671 55.300 0.077 0.000 1.124 345 M CB -0.239 32.392 32.600 0.052 0.000 1.353 345 M HN 0.250 nan 8.290 nan 0.000 0.410 346 I N -0.362 120.252 120.570 0.073 0.000 2.208 346 I HA -0.260 3.910 4.170 0.000 0.000 0.245 346 I C 2.238 178.467 176.117 0.187 0.000 1.097 346 I CA 1.333 62.703 61.300 0.116 0.000 1.363 346 I CB -1.742 36.288 38.000 0.050 0.000 1.051 346 I HN 0.295 nan 8.210 nan 0.000 0.413 347 S N 0.973 116.747 115.700 0.123 0.000 2.368 347 S HA -0.172 4.298 4.470 0.000 0.000 0.225 347 S C 1.978 176.653 174.600 0.124 0.000 1.030 347 S CA 1.150 59.415 58.200 0.109 0.000 0.999 347 S CB -0.477 62.764 63.200 0.070 0.000 0.844 347 S HN 0.367 nan 8.310 nan 0.000 0.459 348 L N 1.499 122.807 121.223 0.141 0.000 2.017 348 L HA 0.053 4.393 4.340 0.000 0.000 0.208 348 L C 1.817 178.856 176.870 0.280 0.000 1.073 348 L CA 1.734 56.676 54.840 0.170 0.000 0.745 348 L CB -0.416 41.736 42.059 0.156 0.000 0.894 348 L HN 0.275 nan 8.230 nan 0.000 0.432 349 L N -1.764 119.665 121.223 0.343 0.000 2.375 349 L HA 0.014 4.354 4.340 0.000 0.000 0.215 349 L C 2.503 179.659 176.870 0.477 0.000 1.108 349 L CA 0.667 55.797 54.840 0.484 0.000 0.830 349 L CB -0.455 41.948 42.059 0.574 0.000 0.959 349 L HN 0.218 nan 8.230 nan 0.000 0.457 350 S N 0.554 116.493 115.700 0.399 0.000 2.383 350 S HA -0.089 4.381 4.470 0.000 0.000 0.229 350 S C -0.427 174.185 174.600 0.019 0.000 1.030 350 S CA 1.424 59.753 58.200 0.216 0.000 1.002 350 S CB -0.566 62.781 63.200 0.244 0.000 0.829 350 S HN 0.195 nan 8.310 nan 0.000 0.467 351 P HA -0.009 nan 4.420 nan 0.000 0.216 351 P C 0.746 177.917 177.300 -0.215 0.000 1.153 351 P CA 0.985 63.969 63.100 -0.193 0.000 0.848 351 P CB -0.052 31.430 31.700 -0.362 0.000 0.787 352 F N -0.861 119.035 119.950 -0.091 0.000 2.259 352 F HA -0.112 4.416 4.527 0.000 0.000 0.298 352 F C 2.550 178.308 175.800 -0.070 0.000 1.088 352 F CA 1.123 59.038 58.000 -0.141 0.000 1.358 352 F CB -0.982 37.829 39.000 -0.314 0.000 1.040 352 F HN -0.109 nan 8.300 nan 0.000 0.505 353 Q N 0.882 120.765 119.800 0.139 0.000 2.083 353 Q HA -0.142 4.198 4.340 0.000 0.000 0.198 353 Q C 1.499 177.414 176.000 -0.142 0.000 0.969 353 Q CA 1.941 57.720 55.803 -0.041 0.000 0.838 353 Q CB -0.588 27.789 28.738 -0.603 0.000 0.900 353 Q HN 0.474 nan 8.270 nan 0.000 0.436 354 N N -0.528 118.088 118.700 -0.140 0.000 2.270 354 N HA -0.105 4.635 4.740 0.000 0.000 0.181 354 N C 1.452 176.913 175.510 -0.081 0.000 1.016 354 N CA 0.888 53.864 53.050 -0.123 0.000 0.870 354 N CB -0.072 38.350 38.487 -0.109 0.000 0.979 354 N HN 0.161 nan 8.380 nan 0.000 0.431 355 K N 0.885 121.249 120.400 -0.060 0.000 2.057 355 K HA -0.054 4.266 4.320 0.000 0.000 0.206 355 K C 2.051 178.647 176.600 -0.007 0.000 1.050 355 K CA 1.258 57.522 56.287 -0.038 0.000 0.935 355 K CB -0.094 32.379 32.500 -0.045 0.000 0.715 355 K HN 0.166 nan 8.250 nan 0.000 0.439 356 G N 0.788 109.600 108.800 0.019 0.000 2.430 356 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 356 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 356 G C 1.493 176.372 174.900 -0.036 0.000 1.146 356 G CA 0.436 45.550 45.100 0.024 0.000 0.793 356 G HN 0.172 nan 8.290 nan 0.000 0.537 357 K N 1.016 121.374 120.400 -0.071 0.000 2.097 357 K HA 0.174 4.494 4.320 0.000 0.000 0.205 357 K C 2.678 179.232 176.600 -0.077 0.000 1.050 357 K CA 1.293 57.516 56.287 -0.108 0.000 0.938 357 K CB -0.475 31.941 32.500 -0.140 0.000 0.718 357 K HN 0.169 nan 8.250 nan 0.000 0.442 358 A N 0.185 122.971 122.820 -0.057 0.000 1.930 358 A HA -0.166 4.154 4.320 0.000 0.000 0.217 358 A C 2.008 179.581 177.584 -0.018 0.000 1.175 358 A CA 1.490 53.504 52.037 -0.039 0.000 0.627 358 A CB -0.502 18.477 19.000 -0.036 0.000 0.815 358 A HN 0.487 nan 8.150 nan 0.000 0.443 359 Q N -0.439 119.357 119.800 -0.007 0.000 2.541 359 Q HA 0.055 4.396 4.340 0.000 0.000 0.215 359 Q C 1.350 177.376 176.000 0.043 0.000 0.977 359 Q CA 0.312 56.129 55.803 0.022 0.000 0.934 359 Q CB -0.257 28.503 28.738 0.037 0.000 0.988 359 Q HN 0.722 nan 8.270 nan 0.000 0.521 360 L N -0.029 121.197 121.223 0.005 0.000 2.341 360 L HA -0.058 4.282 4.340 0.000 0.000 0.214 360 L C 1.860 178.763 176.870 0.054 0.000 1.115 360 L CA 0.343 55.191 54.840 0.014 0.000 0.820 360 L CB -0.086 41.907 42.059 -0.109 0.000 0.944 360 L HN 0.153 nan 8.230 nan 0.000 0.452 361 E N 0.162 120.375 120.200 0.022 0.000 2.274 361 E HA -0.020 4.330 4.350 0.000 0.000 0.194 361 E C 0.792 177.411 176.600 0.032 0.000 0.996 361 E CA 0.272 56.683 56.400 0.020 0.000 0.840 361 E CB -0.142 29.559 29.700 0.002 0.000 0.772 361 E HN 0.181 nan 8.360 nan 0.000 0.491 362 V N 2.584 122.524 119.914 0.043 0.000 2.763 362 V HA -0.086 4.034 4.120 0.000 0.000 0.306 362 V C 0.833 176.951 176.094 0.040 0.000 1.059 362 V CA 0.069 62.392 62.300 0.039 0.000 1.138 362 V CB 0.458 32.308 31.823 0.045 0.000 0.940 362 V HN 0.059 nan 8.190 nan 0.000 0.489 363 K N 4.436 124.848 120.400 0.021 0.000 2.401 363 K HA 0.199 4.519 4.320 0.000 0.000 0.278 363 K C 0.784 177.383 176.600 -0.001 0.000 1.018 363 K CA -0.158 56.135 56.287 0.010 0.000 0.981 363 K CB 0.395 32.897 32.500 0.004 0.000 0.933 363 K HN 0.741 nan 8.250 nan 0.000 0.477 364 I N 0.088 120.648 120.570 -0.016 0.000 4.288 364 I HA 0.411 4.582 4.170 0.000 0.000 0.331 364 I C 0.547 176.635 176.117 -0.047 0.000 1.322 364 I CA -0.387 60.887 61.300 -0.044 0.000 1.149 364 I CB 0.872 38.816 38.000 -0.092 0.000 1.112 364 I HN 0.708 nan 8.210 nan 0.000 0.403 365 G N 1.833 110.614 108.800 -0.033 0.000 2.323 365 G HA2 0.390 4.350 3.960 0.000 0.000 0.291 365 G HA3 0.390 4.350 3.960 0.000 0.000 0.291 365 G C -2.044 172.844 174.900 -0.020 0.000 1.278 365 G CA -0.365 44.715 45.100 -0.033 0.000 0.860 365 G HN 0.420 nan 8.290 nan 0.000 0.504 366 E N -1.599 118.591 120.200 -0.016 0.000 2.390 366 E HA 0.656 5.006 4.350 0.000 0.000 0.277 366 E C -1.524 175.078 176.600 0.003 0.000 0.939 366 E CA -0.916 55.481 56.400 -0.005 0.000 0.769 366 E CB 2.387 32.086 29.700 -0.002 0.000 1.251 366 E HN 0.589 nan 8.360 nan 0.000 0.450 367 T N 0.375 114.936 114.554 0.010 0.000 2.876 367 T HA 0.225 4.575 4.350 0.000 0.000 0.289 367 T C 0.022 174.738 174.700 0.027 0.000 1.014 367 T CA -0.602 61.512 62.100 0.024 0.000 0.986 367 T CB 0.969 69.850 68.868 0.022 0.000 1.021 367 T HN 0.604 nan 8.240 nan 0.000 0.458 368 N N 2.489 121.211 118.700 0.038 0.000 2.398 368 N HA 0.289 5.029 4.740 0.000 0.000 0.188 368 N C 0.521 176.053 175.510 0.036 0.000 1.122 368 N CA -0.002 53.068 53.050 0.033 0.000 0.866 368 N CB 0.371 38.879 38.487 0.035 0.000 0.970 368 N HN 0.763 nan 8.380 nan 0.000 0.462 369 G N -0.751 108.074 108.800 0.042 0.000 2.608 369 G HA2 0.371 4.331 3.960 0.000 0.000 0.291 369 G HA3 0.371 4.331 3.960 0.000 0.000 0.291 369 G C -1.755 173.169 174.900 0.040 0.000 1.425 369 G CA -1.138 43.987 45.100 0.042 0.000 0.787 369 G HN 0.246 nan 8.290 nan 0.000 0.484 370 R N 0.133 120.655 120.500 0.038 0.000 2.401 370 R HA 0.349 4.689 4.340 0.000 0.000 0.299 370 R C -0.577 175.748 176.300 0.041 0.000 1.064 370 R CA -0.293 55.828 56.100 0.035 0.000 1.000 370 R CB 0.162 30.481 30.300 0.032 0.000 0.973 370 R HN 0.338 nan 8.270 nan 0.000 0.438 371 L N 4.228 125.469 121.223 0.031 0.000 2.255 371 L HA 0.189 4.529 4.340 0.000 0.000 0.289 371 L C 0.015 176.906 176.870 0.034 0.000 1.046 371 L CA -0.538 54.319 54.840 0.029 0.000 0.816 371 L CB 1.294 43.355 42.059 0.003 0.000 1.197 371 L HN 0.611 nan 8.230 nan 0.000 0.427 372 E N 2.448 122.678 120.200 0.049 0.000 2.159 372 E HA 0.185 4.535 4.350 0.000 0.000 0.272 372 E C 0.756 177.393 176.600 0.061 0.000 1.138 372 E CA 0.106 56.539 56.400 0.056 0.000 0.915 372 E CB 0.885 30.626 29.700 0.069 0.000 1.028 372 E HN 0.611 nan 8.360 nan 0.000 0.423 373 G N 4.215 113.046 108.800 0.052 0.000 3.695 373 G HA2 -0.036 3.925 3.960 0.000 0.000 0.277 373 G HA3 -0.036 3.925 3.960 0.000 0.000 0.277 373 G C -0.088 174.850 174.900 0.062 0.000 1.001 373 G CA -0.384 44.749 45.100 0.055 0.000 0.837 373 G HN 0.557 nan 8.290 nan 0.000 0.492 374 D N 1.540 121.979 120.400 0.064 0.000 2.458 374 D HA -0.013 4.627 4.640 0.000 0.000 0.243 374 D C 1.817 178.177 176.300 0.099 0.000 1.146 374 D CA -0.235 53.804 54.000 0.066 0.000 0.877 374 D CB 0.998 41.830 40.800 0.052 0.000 1.176 374 D HN 0.430 nan 8.370 nan 0.000 0.461 375 R N 2.752 123.314 120.500 0.103 0.000 2.189 375 R HA -0.101 4.239 4.340 0.000 0.000 0.223 375 R C 0.500 176.933 176.300 0.222 0.000 1.092 375 R CA 0.827 57.014 56.100 0.145 0.000 0.989 375 R CB -0.013 30.362 30.300 0.124 0.000 0.876 375 R HN 0.303 nan 8.270 nan 0.000 0.457 376 D N 0.882 121.379 120.400 0.162 0.000 2.371 376 D HA -0.079 4.561 4.640 0.000 0.000 0.221 376 D C 1.347 177.723 176.300 0.126 0.000 0.986 376 D CA 0.994 55.067 54.000 0.122 0.000 0.899 376 D CB 0.259 41.040 40.800 -0.032 0.000 0.902 376 D HN 0.437 nan 8.370 nan 0.000 0.530 377 K N 0.356 120.876 120.400 0.201 0.000 2.424 377 K HA -0.007 4.313 4.320 0.000 0.000 0.198 377 K C 1.694 178.461 176.600 0.278 0.000 1.190 377 K CA 0.178 56.590 56.287 0.207 0.000 0.935 377 K CB 0.751 33.314 32.500 0.105 0.000 1.087 377 K HN -0.020 nan 8.250 nan 0.000 0.524 378 V N -0.700 119.358 119.914 0.242 0.000 3.510 378 V HA 0.115 4.235 4.120 0.000 0.000 0.270 378 V C 1.102 177.368 176.094 0.286 0.000 1.201 378 V CA 0.684 63.130 62.300 0.244 0.000 1.166 378 V CB -0.538 31.391 31.823 0.177 0.000 0.825 378 V HN 0.159 nan 8.190 nan 0.000 0.484 379 R N -1.608 119.014 120.500 0.203 0.000 2.468 379 R HA 0.436 4.776 4.340 0.000 0.000 0.280 379 R C 0.705 176.531 176.300 -0.789 0.000 0.963 379 R CA 0.210 56.261 56.100 -0.082 0.000 1.083 379 R CB 0.230 30.415 30.300 -0.192 0.000 1.200 379 R HN 0.588 nan 8.270 nan 0.000 0.541 380 F N -0.802 118.943 119.950 -0.343 0.000 2.577 380 F HA 0.135 4.662 4.527 0.000 0.000 0.282 380 F C 0.785 176.264 175.800 -0.535 0.000 0.957 380 F CA -0.453 57.210 58.000 -0.560 0.000 1.168 380 F CB 0.539 39.400 39.000 -0.230 0.000 0.958 380 F HN -0.256 nan 8.300 nan 0.000 0.702 381 V N -2.213 117.784 119.914 0.139 0.000 3.158 381 V HA 0.583 4.703 4.120 0.000 0.000 0.311 381 V C -0.829 175.557 176.094 0.487 0.000 1.181 381 V CA -1.110 61.389 62.300 0.332 0.000 1.054 381 V CB 1.406 33.368 31.823 0.233 0.000 1.085 381 V HN -0.107 nan 8.190 nan 0.000 0.446 382 Q N 1.984 122.040 119.800 0.425 0.000 2.314 382 Q HA 0.545 4.885 4.340 0.000 0.000 0.258 382 Q C 0.167 176.308 176.000 0.235 0.000 0.954 382 Q CA 0.332 56.332 55.803 0.329 0.000 0.890 382 Q CB 1.351 30.259 28.738 0.285 0.000 1.210 382 Q HN 1.154 nan 8.270 nan 0.000 0.410 383 T N -1.839 112.832 114.554 0.196 0.000 2.887 383 T HA 0.303 4.653 4.350 0.000 0.000 0.292 383 T C 0.896 175.678 174.700 0.137 0.000 1.087 383 T CA -0.766 61.427 62.100 0.154 0.000 1.009 383 T CB 0.763 69.714 68.868 0.139 0.000 1.203 383 T HN 0.483 nan 8.240 nan 0.000 0.518 384 N N 0.504 119.278 118.700 0.124 0.000 2.381 384 N HA -0.086 4.654 4.740 0.000 0.000 0.182 384 N C 1.475 177.032 175.510 0.078 0.000 1.025 384 N CA 0.905 54.036 53.050 0.135 0.000 0.888 384 N CB -0.727 37.850 38.487 0.151 0.000 0.965 384 N HN 0.565 nan 8.380 nan 0.000 0.438 385 M N 0.901 120.535 119.600 0.057 0.000 2.156 385 M HA 0.220 4.700 4.480 0.000 0.000 0.264 385 M C 1.926 178.238 176.300 0.020 0.000 1.067 385 M CA 1.385 56.694 55.300 0.016 0.000 1.131 385 M CB -0.907 31.711 32.600 0.030 0.000 1.368 385 M HN 0.171 nan 8.290 nan 0.000 0.416 386 G N 0.329 109.167 108.800 0.063 0.000 2.446 386 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 386 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 386 G C 1.697 176.634 174.900 0.062 0.000 1.168 386 G CA 0.663 45.803 45.100 0.067 0.000 0.771 386 G HN 0.354 nan 8.290 nan 0.000 0.551 387 R N -0.264 120.295 120.500 0.097 0.000 2.083 387 R HA -0.017 4.323 4.340 0.000 0.000 0.237 387 R C 2.513 178.855 176.300 0.071 0.000 1.137 387 R CA 1.030 57.211 56.100 0.135 0.000 0.951 387 R CB -1.196 29.245 30.300 0.236 0.000 0.851 387 R HN 0.437 nan 8.270 nan 0.000 0.434 388 L N 1.173 122.349 121.223 -0.079 0.000 1.994 388 L HA -0.114 4.226 4.340 0.000 0.000 0.208 388 L C 2.246 178.980 176.870 -0.226 0.000 1.071 388 L CA 1.626 56.266 54.840 -0.333 0.000 0.745 388 L CB -0.604 41.195 42.059 -0.434 0.000 0.892 388 L HN 0.076 nan 8.230 nan 0.000 0.431 389 I N -0.827 119.667 120.570 -0.127 0.000 2.194 389 I HA -0.355 3.815 4.170 0.000 0.000 0.246 389 I C 2.338 178.390 176.117 -0.108 0.000 1.093 389 I CA 1.602 62.844 61.300 -0.097 0.000 1.355 389 I CB -0.377 37.600 38.000 -0.037 0.000 1.046 389 I HN 0.305 nan 8.210 nan 0.000 0.413 390 L N 0.143 121.326 121.223 -0.066 0.000 2.313 390 L HA -0.067 4.273 4.340 0.000 0.000 0.214 390 L C 2.774 179.586 176.870 -0.096 0.000 1.119 390 L CA 0.718 55.533 54.840 -0.042 0.000 0.809 390 L CB -0.623 41.453 42.059 0.028 0.000 0.933 390 L HN 0.204 nan 8.230 nan 0.000 0.449 391 A N 0.423 123.146 122.820 -0.162 0.000 1.898 391 A HA -0.113 4.208 4.320 0.000 0.000 0.216 391 A C 2.560 179.784 177.584 -0.599 0.000 1.181 391 A CA 1.600 53.481 52.037 -0.260 0.000 0.620 391 A CB -0.562 18.341 19.000 -0.160 0.000 0.819 391 A HN 0.356 nan 8.150 nan 0.000 0.442 392 A N -0.668 121.679 122.820 -0.788 0.000 1.930 392 A HA -0.186 4.134 4.320 0.000 0.000 0.217 392 A C 2.124 179.557 177.584 -0.252 0.000 1.175 392 A CA 1.593 53.210 52.037 -0.699 0.000 0.627 392 A CB -0.537 18.229 19.000 -0.390 0.000 0.815 392 A HN 0.653 nan 8.150 nan 0.000 0.443 393 Q N -0.865 118.840 119.800 -0.158 0.000 2.084 393 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 393 Q C 2.196 178.169 176.000 -0.046 0.000 0.978 393 Q CA 1.687 57.458 55.803 -0.054 0.000 0.844 393 Q CB -0.297 28.432 28.738 -0.015 0.000 0.898 393 Q HN 0.710 nan 8.270 nan 0.000 0.426 394 M N 0.265 119.823 119.600 -0.070 0.000 2.213 394 M HA -0.171 4.309 4.480 0.000 0.000 0.263 394 M C 1.581 177.854 176.300 -0.045 0.000 1.062 394 M CA 1.345 56.615 55.300 -0.050 0.000 1.105 394 M CB -0.263 32.322 32.600 -0.026 0.000 1.385 394 M HN 0.174 nan 8.290 nan 0.000 0.417 395 D N 0.402 120.767 120.400 -0.058 0.000 2.097 395 D HA -0.195 4.445 4.640 0.000 0.000 0.195 395 D C 2.024 178.318 176.300 -0.009 0.000 0.989 395 D CA 1.314 55.313 54.000 -0.001 0.000 0.827 395 D CB 0.093 40.935 40.800 0.070 0.000 0.966 395 D HN 0.018 nan 8.370 nan 0.000 0.456 396 R N -0.406 120.078 120.500 -0.026 0.000 2.115 396 R HA -0.044 4.296 4.340 0.000 0.000 0.230 396 R C 1.982 178.279 176.300 -0.005 0.000 1.111 396 R CA 2.163 58.236 56.100 -0.046 0.000 0.976 396 R CB -0.843 29.412 30.300 -0.075 0.000 0.870 396 R HN 0.370 nan 8.270 nan 0.000 0.445 397 T N -4.494 110.059 114.554 -0.003 0.000 3.044 397 T HA 0.255 4.606 4.350 0.000 0.000 0.250 397 T C 1.276 175.844 174.700 -0.219 0.000 1.081 397 T CA 0.287 62.353 62.100 -0.058 0.000 1.040 397 T CB 0.333 69.196 68.868 -0.008 0.000 0.962 397 T HN 0.347 nan 8.240 nan 0.000 0.506 398 G N 1.597 110.321 108.800 -0.126 0.000 2.143 398 G HA2 -0.034 3.926 3.960 0.000 0.000 0.248 398 G HA3 -0.034 3.926 3.960 0.000 0.000 0.248 398 G C 0.336 175.158 174.900 -0.129 0.000 0.991 398 G CA -0.026 45.004 45.100 -0.117 0.000 0.689 398 G HN 1.162 nan 8.290 nan 0.000 0.522 399 A N -0.393 122.348 122.820 -0.131 0.000 2.448 399 A HA 0.515 4.836 4.320 0.000 0.000 0.239 399 A C 1.254 178.842 177.584 0.007 0.000 1.080 399 A CA 0.886 52.861 52.037 -0.102 0.000 0.779 399 A CB 0.343 19.271 19.000 -0.119 0.000 1.026 399 A HN 0.219 nan 8.150 nan 0.000 0.499 400 D N -0.708 119.750 120.400 0.096 0.000 2.301 400 D HA 0.201 4.841 4.640 0.000 0.000 0.206 400 D C 0.106 176.625 176.300 0.365 0.000 0.979 400 D CA 1.425 55.576 54.000 0.252 0.000 0.874 400 D CB 0.081 41.127 40.800 0.410 0.000 0.968 400 D HN 0.542 nan 8.370 nan 0.000 0.510 401 F N -0.674 119.319 119.950 0.072 0.000 2.831 401 F HA 0.735 5.262 4.527 0.000 0.000 0.318 401 F C -1.711 174.149 175.800 0.101 0.000 1.174 401 F CA -1.735 56.316 58.000 0.085 0.000 0.918 401 F CB 1.161 40.214 39.000 0.088 0.000 1.364 401 F HN -0.159 nan 8.300 nan 0.000 0.475 402 A N 0.486 123.385 122.820 0.133 0.000 2.610 402 A HA 0.872 5.192 4.320 0.000 0.000 0.291 402 A C -2.105 175.582 177.584 0.173 0.000 1.086 402 A CA -0.678 51.363 52.037 0.007 0.000 0.677 402 A CB 1.582 20.588 19.000 0.010 0.000 1.278 402 A HN 1.402 nan 8.150 nan 0.000 0.414 403 V N 0.794 120.776 119.914 0.113 0.000 3.120 403 V HA 0.854 4.974 4.120 0.000 0.000 0.303 403 V C -0.523 175.608 176.094 0.061 0.000 1.238 403 V CA -0.191 62.167 62.300 0.097 0.000 1.008 403 V CB 2.038 33.992 31.823 0.219 0.000 1.064 403 V HN 1.524 nan 8.190 nan 0.000 0.434 404 M N 0.970 120.566 119.600 -0.005 0.000 2.694 404 M HA 0.680 5.160 4.480 0.000 0.000 0.276 404 M C -0.847 175.421 176.300 -0.053 0.000 1.167 404 M CA -0.527 54.758 55.300 -0.025 0.000 0.849 404 M CB 2.244 34.848 32.600 0.007 0.000 1.705 404 M HN 0.616 nan 8.290 nan 0.000 0.504 405 S N 0.427 116.067 115.700 -0.101 0.000 2.545 405 S HA 0.507 4.977 4.470 0.000 0.000 0.275 405 S C 1.011 175.643 174.600 0.054 0.000 1.299 405 S CA -0.145 58.053 58.200 -0.004 0.000 1.048 405 S CB 1.125 64.301 63.200 -0.040 0.000 0.938 405 S HN 1.071 nan 8.310 nan 0.000 0.496 406 G N 2.072 110.923 108.800 0.086 0.000 2.450 406 G HA2 -0.069 3.891 3.960 0.000 0.000 0.220 406 G HA3 -0.069 3.891 3.960 0.000 0.000 0.220 406 G C 1.235 176.210 174.900 0.124 0.000 1.130 406 G CA 0.461 45.639 45.100 0.131 0.000 0.760 406 G HN 1.023 nan 8.290 nan 0.000 0.557 407 G N 0.361 109.234 108.800 0.123 0.000 2.625 407 G HA2 0.165 4.125 3.960 0.000 0.000 0.214 407 G HA3 0.165 4.125 3.960 0.000 0.000 0.214 407 G C 1.494 176.463 174.900 0.115 0.000 1.132 407 G CA 1.031 46.200 45.100 0.114 0.000 0.782 407 G HN 0.556 nan 8.290 nan 0.000 0.538 408 G N 0.192 109.052 108.800 0.101 0.000 2.623 408 G HA2 0.156 4.116 3.960 0.000 0.000 0.214 408 G HA3 0.156 4.116 3.960 0.000 0.000 0.214 408 G C 0.615 175.551 174.900 0.060 0.000 1.138 408 G CA -0.282 44.875 45.100 0.096 0.000 0.794 408 G HN 0.414 nan 8.290 nan 0.000 0.535 409 I N 1.339 121.943 120.570 0.057 0.000 2.337 409 I HA 0.267 4.437 4.170 0.000 0.000 0.291 409 I C 0.856 176.989 176.117 0.027 0.000 1.046 409 I CA -0.685 60.633 61.300 0.031 0.000 1.324 409 I CB 1.573 39.603 38.000 0.051 0.000 1.409 409 I HN -0.049 nan 8.210 nan 0.000 0.494 410 R N 3.017 123.503 120.500 -0.025 0.000 2.334 410 R HA 0.306 4.646 4.340 0.000 0.000 0.212 410 R C -0.188 176.102 176.300 -0.017 0.000 0.897 410 R CA 0.082 56.164 56.100 -0.030 0.000 1.056 410 R CB -0.206 30.011 30.300 -0.139 0.000 1.046 410 R HN 0.610 nan 8.270 nan 0.000 0.513 411 D N -1.272 119.121 120.400 -0.012 0.000 2.725 411 D HA 0.247 4.887 4.640 0.000 0.000 0.292 411 D C -1.088 175.215 176.300 0.006 0.000 1.288 411 D CA -0.267 53.731 54.000 -0.002 0.000 0.784 411 D CB 1.446 42.235 40.800 -0.018 0.000 1.308 411 D HN -0.201 nan 8.370 nan 0.000 0.429 412 S N -0.260 115.446 115.700 0.010 0.000 2.718 412 S HA 0.726 5.196 4.470 0.000 0.000 0.300 412 S C -0.217 174.387 174.600 0.008 0.000 1.117 412 S CA -0.634 57.574 58.200 0.014 0.000 1.002 412 S CB 1.039 64.252 63.200 0.021 0.000 1.092 412 S HN 0.305 nan 8.310 nan 0.000 0.542 413 I N 1.859 122.434 120.570 0.008 0.000 2.411 413 I HA 0.282 4.452 4.170 0.000 0.000 0.284 413 I C 0.076 176.200 176.117 0.011 0.000 1.012 413 I CA -0.351 60.953 61.300 0.006 0.000 1.119 413 I CB 1.460 39.461 38.000 0.001 0.000 1.261 413 I HN 0.593 nan 8.210 nan 0.000 0.448 414 E N 3.770 123.976 120.200 0.011 0.000 2.392 414 E HA 0.432 4.782 4.350 0.000 0.000 0.256 414 E C 0.184 176.792 176.600 0.013 0.000 1.145 414 E CA -0.577 55.831 56.400 0.013 0.000 0.929 414 E CB 0.909 30.616 29.700 0.011 0.000 0.998 414 E HN 0.683 nan 8.360 nan 0.000 0.442 415 A N 1.080 123.909 122.820 0.016 0.000 2.483 415 A HA 0.468 4.788 4.320 0.000 0.000 0.238 415 A C 0.732 178.323 177.584 0.012 0.000 1.070 415 A CA 0.767 52.814 52.037 0.017 0.000 0.770 415 A CB -0.226 18.785 19.000 0.019 0.000 1.008 415 A HN 0.745 nan 8.150 nan 0.000 0.497 416 G N 1.153 109.960 108.800 0.012 0.000 2.341 416 G HA2 0.045 4.006 3.960 0.000 0.000 0.196 416 G HA3 0.045 4.006 3.960 0.000 0.000 0.196 416 G C -1.021 173.883 174.900 0.005 0.000 1.231 416 G CA -0.153 44.952 45.100 0.008 0.000 1.155 416 G HN 0.839 nan 8.290 nan 0.000 0.529 417 D N 0.713 121.116 120.400 0.004 0.000 2.382 417 D HA 0.542 5.183 4.640 0.000 0.000 0.245 417 D C 0.450 176.751 176.300 0.003 0.000 1.120 417 D CA 0.502 54.503 54.000 0.002 0.000 0.890 417 D CB 1.074 41.875 40.800 0.002 0.000 1.201 417 D HN 0.503 nan 8.370 nan 0.000 0.433 418 I N 1.172 121.742 120.570 -0.000 0.000 2.433 418 I HA 0.174 4.345 4.170 0.000 0.000 0.292 418 I C 0.515 176.636 176.117 0.007 0.000 1.001 418 I CA -0.597 60.704 61.300 0.001 0.000 1.119 418 I CB 1.681 39.676 38.000 -0.009 0.000 1.289 418 I HN 0.277 nan 8.210 nan 0.000 0.438 419 S N 4.591 120.306 115.700 0.025 0.000 2.739 419 S HA 0.330 4.800 4.470 0.000 0.000 0.306 419 S C 0.566 175.229 174.600 0.106 0.000 1.115 419 S CA -0.526 57.705 58.200 0.052 0.000 0.985 419 S CB 1.431 64.660 63.200 0.049 0.000 1.133 419 S HN 0.592 nan 8.310 nan 0.000 0.541 420 Y N 1.159 121.449 120.300 -0.016 0.000 2.352 420 Y HA 0.072 4.622 4.550 0.000 0.000 0.292 420 Y C 2.258 178.141 175.900 -0.029 0.000 1.136 420 Y CA 1.299 59.388 58.100 -0.018 0.000 1.227 420 Y CB -0.504 37.948 38.460 -0.014 0.000 0.991 420 Y HN 0.879 nan 8.280 nan 0.000 0.545 421 K N -0.005 120.486 120.400 0.151 0.000 2.147 421 K HA -0.167 4.153 4.320 0.000 0.000 0.205 421 K C 1.632 178.253 176.600 0.036 0.000 1.049 421 K CA 1.395 57.702 56.287 0.034 0.000 0.936 421 K CB -0.028 32.471 32.500 -0.000 0.000 0.722 421 K HN 0.299 nan 8.250 nan 0.000 0.446 422 N N 0.781 119.513 118.700 0.053 0.000 2.188 422 N HA -0.143 4.597 4.740 0.000 0.000 0.184 422 N C 1.940 177.469 175.510 0.032 0.000 1.018 422 N CA 1.606 54.673 53.050 0.028 0.000 0.858 422 N CB -0.265 38.235 38.487 0.022 0.000 0.989 422 N HN 0.253 nan 8.380 nan 0.000 0.426 423 V N -0.406 119.552 119.914 0.074 0.000 2.379 423 V HA -0.051 4.069 4.120 0.000 0.000 0.245 423 V C 2.211 178.336 176.094 0.051 0.000 1.044 423 V CA 1.116 63.456 62.300 0.066 0.000 1.036 423 V CB -1.019 30.855 31.823 0.084 0.000 0.664 423 V HN 0.087 nan 8.190 nan 0.000 0.453 424 L N -0.196 121.070 121.223 0.072 0.000 2.261 424 L HA -0.127 4.213 4.340 0.000 0.000 0.216 424 L C 2.788 179.604 176.870 -0.091 0.000 1.114 424 L CA 1.812 56.635 54.840 -0.027 0.000 0.777 424 L CB -0.589 41.414 42.059 -0.094 0.000 0.910 424 L HN 0.359 nan 8.230 nan 0.000 0.440 425 K N -0.848 119.512 120.400 -0.067 0.000 2.296 425 K HA -0.030 4.290 4.320 0.000 0.000 0.200 425 K C 1.957 178.490 176.600 -0.111 0.000 1.048 425 K CA 0.604 56.837 56.287 -0.091 0.000 0.966 425 K CB 0.180 32.648 32.500 -0.054 0.000 0.754 425 K HN 0.135 nan 8.250 nan 0.000 0.466 426 V N 0.908 120.773 119.914 -0.082 0.000 2.446 426 V HA -0.100 4.021 4.120 0.000 0.000 0.244 426 V C 0.907 176.923 176.094 -0.130 0.000 1.039 426 V CA 1.207 63.460 62.300 -0.078 0.000 1.045 426 V CB -0.011 31.790 31.823 -0.037 0.000 0.681 426 V HN 0.259 nan 8.190 nan 0.000 0.459 427 Q N 0.499 120.219 119.800 -0.134 0.000 2.849 427 Q HA 0.252 4.593 4.340 0.000 0.000 0.289 427 Q C -1.957 173.897 176.000 -0.242 0.000 1.012 427 Q CA -1.368 54.338 55.803 -0.162 0.000 0.899 427 Q CB 1.187 29.895 28.738 -0.050 0.000 1.235 427 Q HN 0.423 nan 8.270 nan 0.000 0.457 428 P HA 0.016 nan 4.420 nan 0.000 0.245 428 P C 0.486 177.558 177.300 -0.380 0.000 1.206 428 P CA 0.406 63.223 63.100 -0.473 0.000 0.781 428 P CB 0.203 31.566 31.700 -0.562 0.000 0.994 429 F N 0.412 120.354 119.950 -0.012 0.000 2.765 429 F HA 0.387 4.914 4.527 0.000 0.000 0.302 429 F C 1.861 177.680 175.800 0.032 0.000 1.111 429 F CA -0.072 57.927 58.000 -0.001 0.000 1.359 429 F CB -1.275 37.702 39.000 -0.038 0.000 1.097 429 F HN 0.021 nan 8.300 nan 0.000 0.577 430 G N 1.246 110.127 108.800 0.135 0.000 2.225 430 G HA2 -0.348 3.612 3.960 0.000 0.000 0.267 430 G HA3 -0.348 3.612 3.960 0.000 0.000 0.267 430 G C 0.207 175.219 174.900 0.187 0.000 1.024 430 G CA 0.184 45.357 45.100 0.121 0.000 0.784 430 G HN 0.477 nan 8.290 nan 0.000 0.507 431 N N -1.335 117.479 118.700 0.191 0.000 2.371 431 N HA 0.387 5.127 4.740 0.000 0.000 0.243 431 N C 0.264 175.880 175.510 0.177 0.000 1.287 431 N CA -0.160 53.010 53.050 0.200 0.000 0.911 431 N CB 0.978 39.576 38.487 0.184 0.000 1.142 431 N HN 0.077 nan 8.380 nan 0.000 0.451 432 V N 1.468 121.488 119.914 0.177 0.000 2.547 432 V HA 0.218 4.339 4.120 0.000 0.000 0.299 432 V C 0.155 176.331 176.094 0.137 0.000 1.040 432 V CA -0.812 61.575 62.300 0.146 0.000 0.913 432 V CB 1.855 33.749 31.823 0.119 0.000 0.992 432 V HN 0.319 nan 8.190 nan 0.000 0.449 433 V N 5.507 125.510 119.914 0.148 0.000 2.488 433 V HA 0.429 4.549 4.120 0.000 0.000 0.277 433 V C 0.183 176.345 176.094 0.113 0.000 1.046 433 V CA 0.129 62.519 62.300 0.151 0.000 0.986 433 V CB 1.246 33.188 31.823 0.198 0.000 0.989 433 V HN 0.770 nan 8.190 nan 0.000 0.475 434 V N 3.689 123.648 119.914 0.074 0.000 3.158 434 V HA 0.922 5.042 4.120 0.000 0.000 0.311 434 V C -1.129 174.984 176.094 0.031 0.000 1.181 434 V CA -0.874 61.384 62.300 -0.070 0.000 1.054 434 V CB 2.185 33.930 31.823 -0.130 0.000 1.085 434 V HN 0.901 nan 8.190 nan 0.000 0.446 435 Y N -1.057 119.160 120.300 -0.138 0.000 2.638 435 Y HA 0.979 5.529 4.550 0.000 0.000 0.335 435 Y C -0.767 175.084 175.900 -0.081 0.000 1.155 435 Y CA -1.038 57.008 58.100 -0.089 0.000 1.046 435 Y CB 1.224 39.644 38.460 -0.066 0.000 1.303 435 Y HN 1.350 nan 8.280 nan 0.000 0.460 436 A N 1.623 124.600 122.820 0.262 0.000 2.408 436 A HA 0.547 4.867 4.320 0.000 0.000 0.295 436 A C -1.888 175.815 177.584 0.199 0.000 1.040 436 A CA -0.809 51.347 52.037 0.199 0.000 0.707 436 A CB 0.926 20.008 19.000 0.137 0.000 1.235 436 A HN 0.698 nan 8.150 nan 0.000 0.418 437 D N 3.547 124.073 120.400 0.209 0.000 2.313 437 D HA 0.529 5.170 4.640 0.000 0.000 0.239 437 D C 0.136 176.514 176.300 0.129 0.000 1.142 437 D CA 0.467 54.563 54.000 0.159 0.000 0.847 437 D CB 1.163 42.049 40.800 0.144 0.000 1.082 437 D HN 0.710 nan 8.370 nan 0.000 0.480 438 M N -0.810 118.881 119.600 0.151 0.000 2.667 438 M HA 0.500 4.980 4.480 0.000 0.000 0.286 438 M C -0.235 176.177 176.300 0.187 0.000 1.270 438 M CA -0.969 54.419 55.300 0.148 0.000 0.826 438 M CB 1.971 34.654 32.600 0.138 0.000 1.743 438 M HN 0.065 nan 8.290 nan 0.000 0.460 439 T N -1.401 113.246 114.554 0.156 0.000 2.899 439 T HA 0.466 4.816 4.350 0.000 0.000 0.284 439 T C 1.176 176.036 174.700 0.268 0.000 1.004 439 T CA -0.180 62.015 62.100 0.159 0.000 1.043 439 T CB 1.169 70.090 68.868 0.089 0.000 1.013 439 T HN 0.885 nan 8.240 nan 0.000 0.518 440 G N 1.121 110.119 108.800 0.329 0.000 2.513 440 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 440 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 440 G C 1.457 176.455 174.900 0.163 0.000 1.160 440 G CA 1.356 46.679 45.100 0.372 0.000 0.767 440 G HN 0.815 nan 8.290 nan 0.000 0.571 441 K N 1.062 121.535 120.400 0.122 0.000 2.044 441 K HA -0.118 4.203 4.320 0.000 0.000 0.210 441 K C 2.360 179.012 176.600 0.088 0.000 1.049 441 K CA 2.044 58.379 56.287 0.079 0.000 0.927 441 K CB -0.535 32.002 32.500 0.062 0.000 0.713 441 K HN 0.503 nan 8.250 nan 0.000 0.443 442 E N -0.077 120.191 120.200 0.114 0.000 2.110 442 E HA -0.144 4.206 4.350 0.000 0.000 0.193 442 E C 1.920 178.623 176.600 0.171 0.000 0.988 442 E CA 1.454 57.933 56.400 0.131 0.000 0.804 442 E CB -0.205 29.572 29.700 0.128 0.000 0.745 442 E HN 0.379 nan 8.360 nan 0.000 0.458 443 V N -0.670 119.347 119.914 0.171 0.000 2.548 443 V HA -0.185 3.935 4.120 0.000 0.000 0.249 443 V C 2.080 178.242 176.094 0.114 0.000 1.055 443 V CA 1.245 63.654 62.300 0.183 0.000 1.065 443 V CB -0.575 31.276 31.823 0.048 0.000 0.681 443 V HN 0.164 nan 8.190 nan 0.000 0.462 444 I N 0.892 121.486 120.570 0.042 0.000 2.226 444 I HA -0.163 4.007 4.170 0.000 0.000 0.245 444 I C 2.526 178.655 176.117 0.020 0.000 1.100 444 I CA 2.046 63.341 61.300 -0.008 0.000 1.374 444 I CB -0.652 37.335 38.000 -0.022 0.000 1.057 444 I HN 0.309 nan 8.210 nan 0.000 0.413 445 D N 0.081 120.520 120.400 0.064 0.000 2.144 445 D HA -0.214 4.426 4.640 0.000 0.000 0.200 445 D C 1.942 178.293 176.300 0.085 0.000 0.978 445 D CA 1.393 55.429 54.000 0.060 0.000 0.833 445 D CB -0.249 40.595 40.800 0.073 0.000 0.961 445 D HN 0.350 nan 8.370 nan 0.000 0.470 446 Y N 1.807 122.129 120.300 0.038 0.000 2.109 446 Y HA -0.144 4.406 4.550 0.000 0.000 0.285 446 Y C 2.393 178.325 175.900 0.053 0.000 1.131 446 Y CA 1.292 59.430 58.100 0.063 0.000 1.121 446 Y CB -0.507 38.032 38.460 0.133 0.000 0.987 446 Y HN -0.154 nan 8.280 nan 0.000 0.495 447 L N -0.882 120.445 121.223 0.172 0.000 2.042 447 L HA -0.274 4.066 4.340 0.000 0.000 0.210 447 L C 2.304 179.114 176.870 -0.100 0.000 1.076 447 L CA 1.889 56.773 54.840 0.074 0.000 0.749 447 L CB -1.057 41.038 42.059 0.060 0.000 0.893 447 L HN 0.243 nan 8.230 nan 0.000 0.432 448 T N -0.094 114.390 114.554 -0.116 0.000 2.720 448 T HA -0.194 4.156 4.350 0.000 0.000 0.268 448 T C 2.009 176.634 174.700 -0.124 0.000 1.037 448 T CA 1.383 63.399 62.100 -0.141 0.000 1.144 448 T CB -0.214 68.593 68.868 -0.101 0.000 0.864 448 T HN 0.476 nan 8.240 nan 0.000 0.444 449 A N 0.925 123.655 122.820 -0.149 0.000 1.855 449 A HA -0.032 4.288 4.320 0.000 0.000 0.215 449 A C 2.569 180.000 177.584 -0.255 0.000 1.191 449 A CA 1.341 53.264 52.037 -0.190 0.000 0.613 449 A CB -1.007 17.856 19.000 -0.228 0.000 0.829 449 A HN 0.346 nan 8.150 nan 0.000 0.442 450 V N 0.021 119.717 119.914 -0.364 0.000 2.490 450 V HA -0.210 3.910 4.120 0.000 0.000 0.250 450 V C 2.875 178.934 176.094 -0.060 0.000 1.061 450 V CA 1.663 63.717 62.300 -0.409 0.000 1.064 450 V CB -1.105 30.426 31.823 -0.488 0.000 0.670 450 V HN 0.601 nan 8.190 nan 0.000 0.461 451 A N -0.834 122.039 122.820 0.088 0.000 2.172 451 A HA -0.152 4.168 4.320 0.000 0.000 0.216 451 A C 2.132 179.892 177.584 0.293 0.000 1.154 451 A CA 0.974 53.216 52.037 0.341 0.000 0.701 451 A CB -0.238 18.776 19.000 0.023 0.000 0.789 451 A HN 0.542 nan 8.150 nan 0.000 0.465 452 Q N -1.091 118.748 119.800 0.065 0.000 2.212 452 Q HA 0.081 4.421 4.340 0.000 0.000 0.199 452 Q C 0.401 176.387 176.000 -0.023 0.000 0.950 452 Q CA 0.290 56.101 55.803 0.013 0.000 0.863 452 Q CB -0.504 28.208 28.738 -0.042 0.000 0.944 452 Q HN 0.564 nan 8.270 nan 0.000 0.465 453 M N 1.604 121.169 119.600 -0.059 0.000 2.240 453 M HA -0.081 4.399 4.480 0.000 0.000 0.346 453 M C 0.001 176.297 176.300 -0.006 0.000 1.236 453 M CA 1.050 56.322 55.300 -0.047 0.000 0.986 453 M CB 0.176 32.727 32.600 -0.082 0.000 1.786 453 M HN -0.142 nan 8.290 nan 0.000 0.457 454 K N 5.289 125.680 120.400 -0.016 0.000 2.118 454 K HA 0.547 4.867 4.320 0.000 0.000 0.254 454 K C -2.328 174.212 176.600 -0.100 0.000 0.961 454 K CA -1.718 54.526 56.287 -0.073 0.000 0.876 454 K CB 0.848 33.294 32.500 -0.090 0.000 1.077 454 K HN 0.435 nan 8.250 nan 0.000 0.440 455 P HA -0.058 nan 4.420 nan 0.000 0.273 455 P C -0.266 176.662 177.300 -0.619 0.000 1.250 455 P CA 0.296 62.995 63.100 -0.668 0.000 0.793 455 P CB 0.490 31.746 31.700 -0.740 0.000 1.011 456 D N -1.540 118.134 120.400 -1.209 0.000 3.090 456 D HA -0.126 4.514 4.640 0.000 0.000 0.215 456 D C -0.715 175.342 176.300 -0.404 0.000 1.140 456 D CA 1.458 54.871 54.000 -0.978 0.000 0.937 456 D CB -1.637 39.012 40.800 -0.252 0.000 1.108 456 D HN 0.572 nan 8.370 nan 0.000 0.420 457 S N -3.034 112.465 115.700 -0.335 0.000 2.588 457 S HA 0.718 5.188 4.470 0.000 0.000 0.275 457 S C 1.304 175.887 174.600 -0.029 0.000 1.130 457 S CA -0.237 57.898 58.200 -0.108 0.000 0.855 457 S CB 1.649 64.825 63.200 -0.040 0.000 1.116 457 S HN 0.190 nan 8.310 nan 0.000 0.472 458 G N -0.000 108.823 108.800 0.039 0.000 2.598 458 G HA2 0.273 4.233 3.960 0.000 0.000 0.215 458 G HA3 0.273 4.233 3.960 0.000 0.000 0.215 458 G C 1.038 176.025 174.900 0.144 0.000 1.131 458 G CA 0.433 45.589 45.100 0.092 0.000 0.785 458 G HN 1.198 nan 8.290 nan 0.000 0.539 459 A N -0.459 122.455 122.820 0.157 0.000 2.251 459 A HA 0.324 4.644 4.320 0.000 0.000 0.209 459 A C 0.706 178.446 177.584 0.260 0.000 1.187 459 A CA -0.549 51.635 52.037 0.245 0.000 0.823 459 A CB -0.332 18.802 19.000 0.222 0.000 0.846 459 A HN 0.339 nan 8.150 nan 0.000 0.486 460 Y N 2.857 123.185 120.300 0.047 0.000 2.632 460 Y HA 0.237 4.787 4.550 0.000 0.000 0.329 460 Y C -2.273 173.678 175.900 0.085 0.000 1.174 460 Y CA -2.341 55.763 58.100 0.007 0.000 1.469 460 Y CB 0.496 38.895 38.460 -0.102 0.000 1.242 460 Y HN 0.149 nan 8.280 nan 0.000 0.540 461 P HA 0.049 nan 4.420 nan 0.000 0.281 461 P C -1.294 175.584 177.300 -0.702 0.000 1.252 461 P CA -0.276 62.509 63.100 -0.526 0.000 0.778 461 P CB 1.311 32.675 31.700 -0.559 0.000 0.895 462 Q N 3.007 122.558 119.800 -0.415 0.000 2.290 462 Q HA 0.424 4.764 4.340 0.000 0.000 0.259 462 Q C -0.415 175.443 176.000 -0.237 0.000 0.941 462 Q CA -0.315 55.386 55.803 -0.169 0.000 0.912 462 Q CB 0.995 29.724 28.738 -0.016 0.000 1.244 462 Q HN 0.442 nan 8.270 nan 0.000 0.441 463 F N 0.407 120.425 119.950 0.114 0.000 2.541 463 F HA 0.775 5.302 4.527 0.000 0.000 0.331 463 F C 0.104 175.978 175.800 0.122 0.000 1.057 463 F CA -1.008 57.080 58.000 0.146 0.000 0.975 463 F CB 1.729 40.809 39.000 0.134 0.000 1.246 463 F HN 0.480 nan 8.300 nan 0.000 0.484 464 A N 1.528 124.566 122.820 0.364 0.000 2.465 464 A HA 0.586 4.907 4.320 0.000 0.000 0.292 464 A C -0.528 177.211 177.584 0.259 0.000 1.041 464 A CA -0.787 51.395 52.037 0.240 0.000 0.718 464 A CB 0.678 19.782 19.000 0.173 0.000 1.266 464 A HN 0.810 nan 8.150 nan 0.000 0.403 465 N N -1.131 117.674 118.700 0.175 0.000 2.850 465 N HA -0.153 4.587 4.740 0.000 0.000 0.249 465 N C -0.474 175.084 175.510 0.080 0.000 1.060 465 N CA 1.556 54.688 53.050 0.136 0.000 0.825 465 N CB -1.402 37.197 38.487 0.188 0.000 1.132 465 N HN 1.486 nan 8.380 nan 0.000 0.564 466 V N -0.130 119.823 119.914 0.065 0.000 2.638 466 V HA 0.824 4.945 4.120 0.000 0.000 0.306 466 V C -0.673 175.320 176.094 -0.169 0.000 1.052 466 V CA 0.032 62.307 62.300 -0.042 0.000 0.885 466 V CB 2.068 33.923 31.823 0.054 0.000 0.999 466 V HN 0.336 nan 8.190 nan 0.000 0.424 467 S N 6.899 122.484 115.700 -0.191 0.000 2.557 467 S HA 0.964 5.434 4.470 0.000 0.000 0.291 467 S C -0.917 173.554 174.600 -0.215 0.000 1.116 467 S CA -0.568 57.454 58.200 -0.298 0.000 0.992 467 S CB 1.712 64.799 63.200 -0.187 0.000 1.028 467 S HN 1.760 nan 8.310 nan 0.000 0.484 468 F N -0.931 118.813 119.950 -0.343 0.000 2.926 468 F HA 0.807 5.335 4.527 0.000 0.000 0.321 468 F C -2.288 173.290 175.800 -0.370 0.000 1.168 468 F CA -1.394 56.399 58.000 -0.344 0.000 0.890 468 F CB 0.721 39.475 39.000 -0.410 0.000 1.357 468 F HN 0.398 nan 8.300 nan 0.000 0.468 469 V N 1.780 121.783 119.914 0.148 0.000 2.445 469 V HA 0.756 4.876 4.120 0.000 0.000 0.283 469 V C 0.013 176.128 176.094 0.035 0.000 1.014 469 V CA -0.472 61.844 62.300 0.026 0.000 0.852 469 V CB 0.648 32.460 31.823 -0.019 0.000 1.021 469 V HN 1.209 nan 8.190 nan 0.000 0.435 470 A N 5.178 127.993 122.820 -0.009 0.000 2.322 470 A HA 0.897 5.217 4.320 0.000 0.000 0.269 470 A C 0.036 177.677 177.584 0.095 0.000 1.094 470 A CA -0.085 51.938 52.037 -0.023 0.000 0.807 470 A CB 0.823 19.812 19.000 -0.019 0.000 1.047 470 A HN 0.819 nan 8.150 nan 0.000 0.487 480 I N 3.725 124.149 120.570 -0.244 0.000 2.328 480 I HA 0.187 4.357 4.170 0.000 0.000 0.287 480 I C 0.027 176.081 176.117 -0.105 0.000 1.012 480 I CA -0.387 60.749 61.300 -0.272 0.000 1.195 480 I CB 0.898 38.567 38.000 -0.552 0.000 1.350 480 I HN 0.643 nan 8.210 nan 0.000 0.464 481 K N 4.491 124.866 120.400 -0.042 0.000 3.167 481 K HA -0.212 4.108 4.320 0.000 0.000 0.272 481 K C 0.795 177.393 176.600 -0.003 0.000 1.137 481 K CA 0.387 56.679 56.287 0.009 0.000 0.800 481 K CB -1.590 30.941 32.500 0.050 0.000 1.253 481 K HN 1.169 nan 8.250 nan 0.000 0.497 482 G N -0.161 108.623 108.800 -0.027 0.000 4.365 482 G HA2 -0.332 3.628 3.960 0.000 0.000 0.214 482 G HA3 -0.332 3.628 3.960 0.000 0.000 0.214 482 G C -0.081 174.803 174.900 -0.026 0.000 1.450 482 G CA 0.263 45.348 45.100 -0.024 0.000 0.937 482 G HN 0.281 nan 8.290 nan 0.000 0.625 483 E N 2.922 123.117 120.200 -0.009 0.000 2.415 483 E HA 0.337 4.688 4.350 0.000 0.000 0.262 483 E C -2.044 174.542 176.600 -0.023 0.000 1.038 483 E CA -1.200 55.200 56.400 -0.001 0.000 0.921 483 E CB 0.172 29.890 29.700 0.030 0.000 0.950 483 E HN 0.270 nan 8.360 nan 0.000 0.438 484 P HA -0.043 nan 4.420 nan 0.000 0.269 484 P C -0.541 176.745 177.300 -0.024 0.000 1.217 484 P CA -0.030 63.051 63.100 -0.030 0.000 0.783 484 P CB 0.506 32.200 31.700 -0.011 0.000 0.898 485 V N 2.829 122.706 119.914 -0.063 0.000 2.370 485 V HA 0.020 4.141 4.120 0.000 0.000 0.257 485 V C 0.531 176.678 176.094 0.089 0.000 1.064 485 V CA 0.039 62.303 62.300 -0.060 0.000 0.975 485 V CB -0.158 31.566 31.823 -0.166 0.000 1.067 485 V HN 0.531 nan 8.190 nan 0.000 0.485 486 D N 7.574 128.117 120.400 0.239 0.000 2.382 486 D HA 0.116 4.756 4.640 0.000 0.000 0.259 486 D C -1.435 174.985 176.300 0.200 0.000 1.224 486 D CA -1.812 52.293 54.000 0.176 0.000 0.894 486 D CB 1.822 42.704 40.800 0.136 0.000 1.127 486 D HN 0.207 nan 8.370 nan 0.000 0.487 487 P HA -0.099 nan 4.420 nan 0.000 0.215 487 P C 0.230 177.586 177.300 0.092 0.000 1.157 487 P CA 1.503 64.663 63.100 0.100 0.000 0.874 487 P CB 0.195 31.927 31.700 0.054 0.000 0.790 488 A N -1.274 121.578 122.820 0.053 0.000 2.734 488 A HA 0.134 4.454 4.320 0.000 0.000 0.279 488 A C 0.615 178.185 177.584 -0.024 0.000 1.386 488 A CA 0.045 52.094 52.037 0.019 0.000 0.987 488 A CB -1.098 17.908 19.000 0.009 0.000 1.041 488 A HN 0.056 nan 8.150 nan 0.000 0.569 489 K N -0.308 120.058 120.400 -0.055 0.000 2.328 489 K HA 0.512 4.833 4.320 0.000 0.000 0.246 489 K C -1.039 175.321 176.600 -0.400 0.000 0.955 489 K CA -0.401 55.726 56.287 -0.266 0.000 0.817 489 K CB 1.471 33.722 32.500 -0.415 0.000 1.208 489 K HN 0.110 nan 8.250 nan 0.000 0.432 490 T N 2.908 117.221 114.554 -0.402 0.000 2.767 490 T HA 0.363 4.714 4.350 0.000 0.000 0.288 490 T C -1.227 173.253 174.700 -0.366 0.000 0.963 490 T CA -0.181 61.770 62.100 -0.250 0.000 1.019 490 T CB 0.104 68.912 68.868 -0.099 0.000 0.923 490 T HN 0.309 nan 8.240 nan 0.000 0.468 491 Y N 1.202 121.572 120.300 0.117 0.000 2.524 491 Y HA 0.577 5.127 4.550 0.000 0.000 0.344 491 Y C 0.463 176.468 175.900 0.173 0.000 1.012 491 Y CA -1.379 56.827 58.100 0.177 0.000 1.068 491 Y CB 1.546 40.171 38.460 0.275 0.000 1.249 491 Y HN 0.433 nan 8.280 nan 0.000 0.468 492 R N 3.529 124.200 120.500 0.285 0.000 2.295 492 R HA 0.560 4.900 4.340 0.000 0.000 0.324 492 R C -1.246 174.991 176.300 -0.105 0.000 0.968 492 R CA -0.482 55.669 56.100 0.086 0.000 0.837 492 R CB 0.746 31.022 30.300 -0.040 0.000 1.133 492 R HN 0.904 nan 8.270 nan 0.000 0.450 493 M N 4.230 123.673 119.600 -0.262 0.000 2.294 493 M HA 0.519 4.999 4.480 0.000 0.000 0.335 493 M C -1.276 174.862 176.300 -0.270 0.000 1.079 493 M CA -0.465 54.425 55.300 -0.684 0.000 0.982 493 M CB 1.824 33.901 32.600 -0.873 0.000 1.651 493 M HN 0.797 nan 8.290 nan 0.000 0.437 494 A N 3.325 126.003 122.820 -0.237 0.000 2.320 494 A HA 0.882 5.202 4.320 0.000 0.000 0.334 494 A C -0.385 177.184 177.584 -0.025 0.000 1.147 494 A CA -0.389 51.624 52.037 -0.040 0.000 0.820 494 A CB 1.801 20.792 19.000 -0.016 0.000 1.218 494 A HN 0.895 nan 8.150 nan 0.000 0.482 495 T N -0.099 114.483 114.554 0.045 0.000 2.663 495 T HA 0.505 4.855 4.350 0.000 0.000 0.302 495 T C -1.649 173.107 174.700 0.093 0.000 1.523 495 T CA -0.469 61.671 62.100 0.066 0.000 1.011 495 T CB 0.056 68.977 68.868 0.088 0.000 1.841 495 T HN 0.601 nan 8.240 nan 0.000 0.462 496 L N 2.867 124.153 121.223 0.106 0.000 2.331 496 L HA 0.468 4.808 4.340 0.000 0.000 0.275 496 L C 1.641 178.611 176.870 0.167 0.000 1.022 496 L CA -1.061 53.863 54.840 0.141 0.000 0.812 496 L CB 1.645 43.803 42.059 0.165 0.000 1.257 496 L HN 0.863 nan 8.230 nan 0.000 0.435 497 N N 1.648 120.461 118.700 0.187 0.000 2.137 497 N HA -0.303 4.438 4.740 0.000 0.000 0.190 497 N C 1.544 177.166 175.510 0.187 0.000 1.017 497 N CA 1.595 54.767 53.050 0.203 0.000 0.859 497 N CB -0.575 38.027 38.487 0.192 0.000 1.002 497 N HN 0.628 nan 8.380 nan 0.000 0.428 498 F N 2.294 122.279 119.950 0.059 0.000 2.065 498 F HA -0.125 4.402 4.527 0.000 0.000 0.298 498 F C 1.913 177.702 175.800 -0.017 0.000 1.112 498 F CA 1.626 59.639 58.000 0.022 0.000 1.212 498 F CB -0.551 38.457 39.000 0.013 0.000 0.975 498 F HN 0.002 nan 8.300 nan 0.000 0.476 499 N N 0.469 119.045 118.700 -0.207 0.000 2.354 499 N HA -0.044 4.696 4.740 0.000 0.000 0.179 499 N C 1.964 177.413 175.510 -0.101 0.000 1.021 499 N CA 1.093 53.919 53.050 -0.372 0.000 0.887 499 N CB -0.554 37.686 38.487 -0.412 0.000 0.974 499 N HN 0.415 nan 8.380 nan 0.000 0.437 500 A N 0.800 123.627 122.820 0.012 0.000 1.972 500 A HA -0.103 4.217 4.320 0.000 0.000 0.219 500 A C 2.150 179.710 177.584 -0.039 0.000 1.169 500 A CA 1.915 53.991 52.037 0.065 0.000 0.635 500 A CB -0.711 18.409 19.000 0.200 0.000 0.810 500 A HN 0.448 nan 8.150 nan 0.000 0.446 501 T N -5.213 109.303 114.554 -0.064 0.000 3.086 501 T HA 0.453 4.803 4.350 0.000 0.000 0.250 501 T C 1.201 175.840 174.700 -0.102 0.000 1.074 501 T CA 1.040 63.087 62.100 -0.087 0.000 0.988 501 T CB 0.450 69.289 68.868 -0.047 0.000 0.988 501 T HN 1.526 nan 8.240 nan 0.000 0.530 502 G N 0.584 109.309 108.800 -0.125 0.000 2.284 502 G HA2 -0.007 3.953 3.960 0.000 0.000 0.201 502 G HA3 -0.007 3.953 3.960 0.000 0.000 0.201 502 G C 0.581 175.333 174.900 -0.248 0.000 0.998 502 G CA -0.245 44.786 45.100 -0.115 0.000 0.651 502 G HN 0.953 nan 8.290 nan 0.000 0.489 503 G N 0.442 108.886 108.800 -0.593 0.000 2.341 503 G HA2 0.345 4.305 3.960 0.000 0.000 0.231 503 G HA3 0.345 4.305 3.960 0.000 0.000 0.231 503 G C 0.650 175.180 174.900 -0.617 0.000 1.206 503 G CA 1.106 45.514 45.100 -1.152 0.000 0.865 503 G HN 0.936 nan 8.290 nan 0.000 0.515 504 D N 0.254 120.515 120.400 -0.232 0.000 2.955 504 D HA -0.223 4.418 4.640 0.000 0.000 0.226 504 D C 1.654 178.040 176.300 0.143 0.000 1.178 504 D CA 2.647 56.682 54.000 0.059 0.000 0.808 504 D CB -1.262 39.623 40.800 0.143 0.000 1.099 504 D HN 1.867 nan 8.370 nan 0.000 0.421 505 G N -1.323 107.505 108.800 0.046 0.000 2.153 505 G HA2 -0.392 3.568 3.960 0.000 0.000 0.252 505 G HA3 -0.392 3.568 3.960 0.000 0.000 0.252 505 G C 0.248 175.212 174.900 0.107 0.000 0.994 505 G CA 0.465 45.599 45.100 0.056 0.000 0.698 505 G HN 0.414 nan 8.290 nan 0.000 0.521 506 Y N 0.256 120.483 120.300 -0.122 0.000 2.426 506 Y HA 0.404 4.954 4.550 0.000 0.000 0.344 506 Y C -1.488 174.375 175.900 -0.062 0.000 1.256 506 Y CA -2.102 55.933 58.100 -0.109 0.000 1.451 506 Y CB -0.006 38.408 38.460 -0.076 0.000 1.342 506 Y HN -0.019 nan 8.280 nan 0.000 0.600 507 P HA 0.075 nan 4.420 nan 0.000 0.263 507 P C -0.582 176.849 177.300 0.218 0.000 1.195 507 P CA 0.178 63.352 63.100 0.124 0.000 0.762 507 P CB 0.364 32.139 31.700 0.126 0.000 0.799 508 R N 3.061 123.619 120.500 0.096 0.000 2.489 508 R HA 0.122 4.462 4.340 0.000 0.000 0.287 508 R C 0.973 177.277 176.300 0.008 0.000 1.053 508 R CA 0.096 56.213 56.100 0.028 0.000 1.036 508 R CB 0.236 30.515 30.300 -0.035 0.000 0.966 508 R HN 0.568 nan 8.270 nan 0.000 0.432 509 L N 1.385 122.561 121.223 -0.079 0.000 2.575 509 L HA -0.002 4.338 4.340 0.000 0.000 0.228 509 L C 1.686 178.287 176.870 -0.449 0.000 1.075 509 L CA -0.074 54.681 54.840 -0.142 0.000 0.867 509 L CB -0.148 41.878 42.059 -0.056 0.000 1.097 509 L HN 0.654 nan 8.230 nan 0.000 0.485 510 D N 2.338 122.365 120.400 -0.622 0.000 2.268 510 D HA -0.281 4.360 4.640 0.000 0.000 0.189 510 D C 1.301 177.249 176.300 -0.587 0.000 1.010 510 D CA 2.035 55.515 54.000 -0.866 0.000 0.862 510 D CB -0.091 40.480 40.800 -0.381 0.000 0.943 510 D HN 0.430 nan 8.370 nan 0.000 0.451 511 N N -0.104 118.427 118.700 -0.282 0.000 2.346 511 N HA -0.005 4.736 4.740 0.000 0.000 0.225 511 N C -0.490 174.964 175.510 -0.094 0.000 1.144 511 N CA 0.039 53.006 53.050 -0.138 0.000 0.837 511 N CB 0.315 38.751 38.487 -0.084 0.000 1.069 511 N HN 0.202 nan 8.380 nan 0.000 0.487 512 K N 0.659 120.997 120.400 -0.104 0.000 2.385 512 K HA 0.487 4.808 4.320 0.000 0.000 0.248 512 K C -2.806 173.809 176.600 0.025 0.000 0.955 512 K CA -1.948 54.322 56.287 -0.029 0.000 0.816 512 K CB 1.771 34.259 32.500 -0.019 0.000 1.250 512 K HN -0.108 nan 8.250 nan 0.000 0.434 513 P HA -0.044 nan 4.420 nan 0.000 0.265 513 P C 0.457 177.793 177.300 0.060 0.000 1.187 513 P CA 1.064 64.177 63.100 0.021 0.000 0.766 513 P CB 0.437 32.138 31.700 0.001 0.000 0.820 514 G N 1.018 109.855 108.800 0.061 0.000 2.176 514 G HA2 -0.283 3.678 3.960 0.000 0.000 0.253 514 G HA3 -0.283 3.678 3.960 0.000 0.000 0.253 514 G C -0.208 174.748 174.900 0.095 0.000 0.979 514 G CA -0.262 44.889 45.100 0.084 0.000 0.641 514 G HN 0.571 nan 8.290 nan 0.000 0.530 515 Y N 1.204 121.470 120.300 -0.057 0.000 2.336 515 Y HA 0.530 5.080 4.550 0.000 0.000 0.335 515 Y C 0.255 176.035 175.900 -0.199 0.000 1.046 515 Y CA -0.591 57.442 58.100 -0.112 0.000 1.198 515 Y CB 1.519 39.935 38.460 -0.073 0.000 1.182 515 Y HN 0.835 nan 8.280 nan 0.000 0.502 516 V N 5.451 124.754 119.914 -1.017 0.000 2.623 516 V HA 0.477 4.597 4.120 0.000 0.000 0.304 516 V C -1.357 174.133 176.094 -1.007 0.000 1.054 516 V CA -0.973 60.784 62.300 -0.906 0.000 0.882 516 V CB 1.682 33.027 31.823 -0.797 0.000 1.002 516 V HN 0.884 nan 8.190 nan 0.000 0.424 517 N N 3.665 121.961 118.700 -0.674 0.000 2.419 517 N HA 0.277 5.018 4.740 0.000 0.000 0.264 517 N C 1.105 176.478 175.510 -0.229 0.000 1.031 517 N CA 0.473 53.283 53.050 -0.400 0.000 0.951 517 N CB 2.083 40.456 38.487 -0.189 0.000 1.101 517 N HN 1.025 nan 8.380 nan 0.000 0.488 518 T N 0.521 114.993 114.554 -0.136 0.000 3.067 518 T HA 0.159 4.509 4.350 0.000 0.000 0.261 518 T C 1.319 175.889 174.700 -0.217 0.000 1.110 518 T CA 0.710 62.761 62.100 -0.082 0.000 1.113 518 T CB -0.323 68.656 68.868 0.184 0.000 0.917 518 T HN 0.680 nan 8.240 nan 0.000 0.499 519 G N 0.914 109.620 108.800 -0.158 0.000 2.184 519 G HA2 -0.216 3.744 3.960 0.000 0.000 0.264 519 G HA3 -0.216 3.744 3.960 0.000 0.000 0.264 519 G C -0.137 174.524 174.900 -0.399 0.000 0.975 519 G CA 0.033 44.956 45.100 -0.294 0.000 0.642 519 G HN 0.550 nan 8.290 nan 0.000 0.536 520 F N 1.342 121.337 119.950 0.075 0.000 2.410 520 F HA 0.573 5.100 4.527 0.000 0.000 0.348 520 F C 0.983 176.812 175.800 0.048 0.000 1.106 520 F CA -1.524 56.518 58.000 0.071 0.000 1.163 520 F CB 0.720 39.796 39.000 0.127 0.000 1.129 520 F HN -0.107 nan 8.300 nan 0.000 0.516 521 I N 3.871 124.578 120.570 0.227 0.000 2.474 521 I HA 0.037 4.208 4.170 0.000 0.000 0.287 521 I C 1.227 177.434 176.117 0.150 0.000 1.048 521 I CA -0.494 60.895 61.300 0.149 0.000 1.383 521 I CB 0.886 38.939 38.000 0.087 0.000 1.412 521 I HN 0.635 nan 8.210 nan 0.000 0.531 522 D N 5.943 126.418 120.400 0.125 0.000 2.204 522 D HA -0.291 4.350 4.640 0.000 0.000 0.189 522 D C 1.666 178.015 176.300 0.082 0.000 1.006 522 D CA 2.183 56.241 54.000 0.097 0.000 0.855 522 D CB -0.353 40.496 40.800 0.083 0.000 0.946 522 D HN 0.577 nan 8.370 nan 0.000 0.448 523 A N 0.106 122.982 122.820 0.093 0.000 1.969 523 A HA -0.183 4.137 4.320 0.000 0.000 0.218 523 A C 2.216 179.891 177.584 0.151 0.000 1.169 523 A CA 1.730 53.842 52.037 0.126 0.000 0.635 523 A CB -0.615 18.481 19.000 0.161 0.000 0.810 523 A HN 0.304 nan 8.150 nan 0.000 0.445 524 E N 0.346 120.643 120.200 0.161 0.000 2.107 524 E HA -0.090 4.260 4.350 0.000 0.000 0.191 524 E C 1.984 178.605 176.600 0.036 0.000 0.982 524 E CA 1.396 57.871 56.400 0.125 0.000 0.809 524 E CB -0.198 29.611 29.700 0.181 0.000 0.756 524 E HN 0.317 nan 8.360 nan 0.000 0.459 525 V N 1.897 121.845 119.914 0.057 0.000 2.427 525 V HA -0.217 3.903 4.120 0.000 0.000 0.248 525 V C 2.678 178.785 176.094 0.022 0.000 1.051 525 V CA 1.343 63.656 62.300 0.021 0.000 1.048 525 V CB -0.505 31.343 31.823 0.041 0.000 0.666 525 V HN 0.288 nan 8.190 nan 0.000 0.456 526 L N 0.047 121.282 121.223 0.019 0.000 2.027 526 L HA -0.150 4.190 4.340 0.000 0.000 0.206 526 L C 2.756 179.631 176.870 0.008 0.000 1.074 526 L CA 1.814 56.666 54.840 0.020 0.000 0.745 526 L CB -0.466 41.597 42.059 0.006 0.000 0.898 526 L HN 0.282 nan 8.230 nan 0.000 0.433 527 K N 0.583 120.932 120.400 -0.085 0.000 2.063 527 K HA -0.212 4.108 4.320 0.000 0.000 0.208 527 K C 1.835 178.339 176.600 -0.160 0.000 1.048 527 K CA 1.814 57.964 56.287 -0.228 0.000 0.928 527 K CB -0.226 31.916 32.500 -0.597 0.000 0.713 527 K HN 0.407 nan 8.250 nan 0.000 0.442 528 A N -0.017 122.746 122.820 -0.095 0.000 1.930 528 A HA -0.167 4.153 4.320 0.000 0.000 0.217 528 A C 2.181 179.759 177.584 -0.011 0.000 1.175 528 A CA 1.298 53.300 52.037 -0.058 0.000 0.627 528 A CB -0.803 18.171 19.000 -0.042 0.000 0.815 528 A HN 0.503 nan 8.150 nan 0.000 0.443 529 Y N 0.482 120.734 120.300 -0.080 0.000 2.200 529 Y HA -0.158 4.392 4.550 0.000 0.000 0.290 529 Y C 1.995 177.865 175.900 -0.050 0.000 1.137 529 Y CA 1.623 59.691 58.100 -0.054 0.000 1.163 529 Y CB -0.226 38.206 38.460 -0.046 0.000 0.988 529 Y HN 0.266 nan 8.280 nan 0.000 0.518 530 I N 0.636 121.189 120.570 -0.028 0.000 2.142 530 I HA -0.383 3.788 4.170 0.000 0.000 0.240 530 I C 2.630 178.664 176.117 -0.139 0.000 1.078 530 I CA 2.077 63.318 61.300 -0.098 0.000 1.343 530 I CB -0.643 37.330 38.000 -0.045 0.000 1.046 530 I HN 0.391 nan 8.210 nan 0.000 0.405 531 Q N 1.241 120.971 119.800 -0.118 0.000 2.226 531 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 531 Q C 2.075 178.005 176.000 -0.117 0.000 0.975 531 Q CA 1.490 57.230 55.803 -0.104 0.000 0.866 531 Q CB -0.429 28.254 28.738 -0.092 0.000 0.915 531 Q HN 0.446 nan 8.270 nan 0.000 0.440 532 K N 0.652 120.961 120.400 -0.152 0.000 2.155 532 K HA -0.002 4.319 4.320 0.000 0.000 0.203 532 K C 1.161 177.636 176.600 -0.208 0.000 1.052 532 K CA 1.277 57.468 56.287 -0.160 0.000 0.948 532 K CB 0.196 32.599 32.500 -0.161 0.000 0.728 532 K HN 0.127 nan 8.250 nan 0.000 0.448 533 S N 0.388 115.905 115.700 -0.305 0.000 2.556 533 S HA 0.137 4.607 4.470 0.000 0.000 0.216 533 S C -0.057 174.461 174.600 -0.136 0.000 0.970 533 S CA -0.398 57.635 58.200 -0.278 0.000 0.912 533 S CB 0.699 63.602 63.200 -0.495 0.000 0.790 533 S HN 0.118 nan 8.310 nan 0.000 0.504 534 S N 3.935 119.571 115.700 -0.106 0.000 2.580 534 S HA 0.309 4.779 4.470 0.000 0.000 0.274 534 S C -1.858 172.719 174.600 -0.038 0.000 1.329 534 S CA -0.834 57.332 58.200 -0.056 0.000 1.036 534 S CB 0.307 63.478 63.200 -0.048 0.000 0.919 534 S HN 0.347 nan 8.310 nan 0.000 0.515 535 P HA 0.273 nan 4.420 nan 0.000 0.279 535 P C -1.001 176.307 177.300 0.013 0.000 1.239 535 P CA -0.393 62.703 63.100 -0.006 0.000 0.789 535 P CB 0.540 32.240 31.700 0.000 0.000 0.933 536 L N 2.195 123.436 121.223 0.029 0.000 2.397 536 L HA 0.227 4.567 4.340 0.000 0.000 0.271 536 L C 0.691 177.625 176.870 0.106 0.000 1.148 536 L CA -0.035 54.857 54.840 0.087 0.000 0.825 536 L CB 0.298 42.408 42.059 0.084 0.000 1.117 536 L HN 0.428 nan 8.230 nan 0.000 0.456 537 D N 1.295 121.789 120.400 0.157 0.000 2.464 537 D HA 0.171 4.811 4.640 0.000 0.000 0.243 537 D C 0.793 177.206 176.300 0.188 0.000 1.104 537 D CA -0.599 53.472 54.000 0.118 0.000 0.883 537 D CB 1.501 42.334 40.800 0.055 0.000 1.050 537 D HN 0.280 nan 8.370 nan 0.000 0.524 538 V N 1.691 121.720 119.914 0.192 0.000 3.099 538 V HA -0.167 3.953 4.120 0.000 0.000 0.269 538 V C 1.663 177.863 176.094 0.177 0.000 1.150 538 V CA 1.634 64.083 62.300 0.248 0.000 1.165 538 V CB -0.790 31.125 31.823 0.153 0.000 0.756 538 V HN 0.351 nan 8.190 nan 0.000 0.527 539 S N 0.918 116.669 115.700 0.086 0.000 2.356 539 S HA -0.122 4.348 4.470 0.000 0.000 0.223 539 S C 1.904 176.485 174.600 -0.031 0.000 1.032 539 S CA 1.617 59.834 58.200 0.029 0.000 1.005 539 S CB -0.447 62.757 63.200 0.007 0.000 0.867 539 S HN 0.573 nan 8.310 nan 0.000 0.449 540 V N 0.332 120.164 119.914 -0.137 0.000 2.828 540 V HA -0.163 3.957 4.120 0.000 0.000 0.260 540 V C 1.358 177.151 176.094 -0.501 0.000 1.101 540 V CA 1.512 63.596 62.300 -0.360 0.000 1.123 540 V CB -0.988 30.489 31.823 -0.576 0.000 0.704 540 V HN 0.542 nan 8.190 nan 0.000 0.493 541 Y N -1.550 118.785 120.300 0.058 0.000 2.444 541 Y HA 0.314 4.864 4.550 0.000 0.000 0.249 541 Y C 1.175 177.110 175.900 0.059 0.000 1.134 541 Y CA -0.885 57.253 58.100 0.064 0.000 1.261 541 Y CB 0.212 38.716 38.460 0.074 0.000 1.143 541 Y HN 0.134 nan 8.280 nan 0.000 0.523 542 E N 3.933 124.216 120.200 0.138 0.000 2.415 542 E HA 0.033 4.383 4.350 0.000 0.000 0.260 542 E C -2.373 174.278 176.600 0.085 0.000 1.016 542 E CA -1.572 54.892 56.400 0.107 0.000 0.924 542 E CB 0.361 30.103 29.700 0.071 0.000 0.961 542 E HN 0.155 nan 8.360 nan 0.000 0.459 543 P HA 0.052 nan 4.420 nan 0.000 0.271 543 P C -0.338 176.990 177.300 0.047 0.000 1.233 543 P CA -0.287 62.859 63.100 0.077 0.000 0.764 543 P CB 0.580 32.343 31.700 0.105 0.000 0.825 544 K N 2.765 123.177 120.400 0.021 0.000 3.173 544 K HA 0.207 4.527 4.320 0.000 0.000 0.255 544 K C 1.310 177.902 176.600 -0.013 0.000 1.235 544 K CA -0.254 56.037 56.287 0.006 0.000 1.250 544 K CB -0.833 31.664 32.500 -0.005 0.000 1.382 544 K HN 0.825 nan 8.250 nan 0.000 0.421 545 G N 2.494 111.290 108.800 -0.007 0.000 2.258 545 G HA2 -0.337 3.623 3.960 0.000 0.000 0.274 545 G HA3 -0.337 3.623 3.960 0.000 0.000 0.274 545 G C 0.913 175.746 174.900 -0.111 0.000 1.021 545 G CA 0.822 45.900 45.100 -0.036 0.000 0.798 545 G HN 0.520 nan 8.290 nan 0.000 0.507 546 E N -0.588 119.532 120.200 -0.134 0.000 2.204 546 E HA -0.049 4.302 4.350 0.000 0.000 0.195 546 E C 1.422 177.760 176.600 -0.438 0.000 0.990 546 E CA 1.526 57.797 56.400 -0.215 0.000 0.821 546 E CB -0.833 28.774 29.700 -0.155 0.000 0.750 546 E HN 1.291 nan 8.360 nan 0.000 0.477 547 V N -0.708 118.823 119.914 -0.638 0.000 2.555 547 V HA 0.781 4.901 4.120 0.000 0.000 0.302 547 V C -0.319 175.135 176.094 -1.066 0.000 1.038 547 V CA -0.485 60.961 62.300 -1.424 0.000 0.887 547 V CB 1.753 32.306 31.823 -2.116 0.000 0.991 547 V HN 0.260 nan 8.190 nan 0.000 0.434 548 S N 3.116 118.159 115.700 -1.094 0.000 2.596 548 S HA 0.795 5.265 4.470 0.000 0.000 0.270 548 S C -1.289 173.116 174.600 -0.325 0.000 1.155 548 S CA -0.814 57.101 58.200 -0.475 0.000 0.827 548 S CB 1.867 64.973 63.200 -0.158 0.000 1.130 548 S HN 0.923 nan 8.310 nan 0.000 0.467 549 W N 0.000 121.377 121.300 0.129 0.000 2.388 549 W HA 0.000 4.660 4.660 0.000 0.000 0.303 549 W CA 0.000 57.431 57.345 0.144 0.000 1.226 549 W CB 0.000 29.561 29.460 0.168 0.000 1.126 549 W HN 0.000 nan 8.180 nan 0.000 0.535