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 3l73_1_O DATA FIRST_RESID 18 DATA SEQUENCE CPGAEDLEIT KLPNGLIIAS LENFSPASRI GVFIKAGSRY ETTANLGTAH DATA SEQUENCE LLRLASPLTT KGASSFRITR GIEAVGGSLS VYSTREKMTY CVECLRDHVD DATA SEQUENCE TVMEYLLNVT TAPEFRPWEV TDLQPQLKVD KAVAFQSPQV GVLENLHAAA DATA SEQUENCE YKTALANPLY CPDYRIGKIT SEQLHHFVQN NFTSARMALV GIGVKHSDLK DATA SEQUENCE QVAEQFLNIR SGAGTSSAKA TYWGGEIREQ NGHSLVHAAV VTEGAAVGSA DATA SEQUENCE EANAFSVLQH VLGAGPLIKR GSSVTSKLYQ GVAKATTQPF DASAFNVNYS DATA SEQUENCE DSGLFGFYTI SQAAHAGEVI RAAMNQLKAA AQGGVTEEDV TKAKNQLKAT DATA SEQUENCE YLMSVETAQG LLNEIGSEAL LSGTHTAPSV VAQKIDSVTS ADVVNAAKKF DATA SEQUENCE VSGKKSMAAS GDLGSTPFLD EL 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 18 C HA 0.000 nan 4.460 nan 0.000 0.325 18 C C 0.000 174.845 174.990 -0.242 0.000 1.270 18 C CA 0.000 58.934 59.018 -0.140 0.000 1.963 18 C CB 0.000 27.671 27.740 -0.115 0.000 2.134 19 P HA 0.385 nan 4.420 nan 0.000 0.268 19 P C 0.251 177.234 177.300 -0.527 0.000 1.171 19 P CA 1.785 64.355 63.100 -0.883 0.000 0.761 19 P CB -0.028 30.826 31.700 -1.410 0.000 0.786 20 G N -0.431 108.127 108.800 -0.402 0.000 3.198 20 G HA2 0.578 4.538 3.960 0.000 0.000 0.166 20 G HA3 0.578 4.538 3.960 0.000 0.000 0.166 20 G C -1.392 173.540 174.900 0.054 0.000 1.134 20 G CA -0.043 44.988 45.100 -0.114 0.000 0.941 20 G HN 0.673 nan 8.290 nan 0.000 0.639 21 A N 0.147 123.004 122.820 0.061 0.000 2.302 21 A HA 0.697 5.017 4.320 0.000 0.000 0.295 21 A C -0.259 177.388 177.584 0.106 0.000 1.235 21 A CA 0.066 52.152 52.037 0.082 0.000 0.876 21 A CB 0.852 19.877 19.000 0.042 0.000 1.133 21 A HN 0.432 nan 8.150 nan 0.000 0.533 22 E N 1.603 121.876 120.200 0.123 0.000 2.232 22 E HA 0.498 4.848 4.350 0.000 0.000 0.264 22 E C -1.022 175.590 176.600 0.020 0.000 0.973 22 E CA -0.557 55.894 56.400 0.083 0.000 0.849 22 E CB 1.183 30.929 29.700 0.076 0.000 1.198 22 E HN 0.711 nan 8.360 nan 0.000 0.407 23 D N 2.260 122.654 120.400 -0.010 0.000 2.350 23 D HA 0.145 4.785 4.640 0.000 0.000 0.245 23 D C -0.365 175.890 176.300 -0.076 0.000 1.036 23 D CA -0.780 53.194 54.000 -0.043 0.000 0.848 23 D CB 1.260 42.036 40.800 -0.040 0.000 1.307 23 D HN 0.348 nan 8.370 nan 0.000 0.469 24 L N 1.720 122.877 121.223 -0.110 0.000 2.388 24 L HA 0.147 4.487 4.340 0.000 0.000 0.252 24 L C 0.133 176.919 176.870 -0.140 0.000 1.357 24 L CA 0.161 54.916 54.840 -0.142 0.000 1.214 24 L CB -1.292 40.609 42.059 -0.265 0.000 1.392 24 L HN 0.292 nan 8.230 nan 0.000 0.432 25 E N 3.391 123.492 120.200 -0.166 0.000 2.435 25 E HA 0.271 4.621 4.350 0.000 0.000 0.256 25 E C -0.062 176.380 176.600 -0.262 0.000 1.245 25 E CA 0.113 56.319 56.400 -0.323 0.000 0.989 25 E CB 1.071 30.384 29.700 -0.645 0.000 0.983 25 E HN 0.587 nan 8.360 nan 0.000 0.480 26 I N 1.068 121.473 120.570 -0.276 0.000 2.552 26 I HA 0.065 4.235 4.170 0.000 0.000 0.253 26 I C -0.846 175.288 176.117 0.028 0.000 1.386 26 I CA -0.080 61.223 61.300 0.005 0.000 1.057 26 I CB 0.351 38.356 38.000 0.009 0.000 1.451 26 I HN 0.439 nan 8.210 nan 0.000 0.483 27 T N 4.284 118.926 114.554 0.146 0.000 2.689 27 T HA 0.219 4.569 4.350 0.000 0.000 0.308 27 T C -0.067 174.680 174.700 0.078 0.000 1.021 27 T CA -0.324 61.847 62.100 0.118 0.000 0.973 27 T CB 0.627 69.618 68.868 0.205 0.000 1.113 27 T HN 0.521 nan 8.240 nan 0.000 0.522 28 K N 1.262 121.693 120.400 0.051 0.000 2.767 28 K HA 0.249 4.569 4.320 0.000 0.000 0.286 28 K C -0.810 175.805 176.600 0.025 0.000 1.177 28 K CA -0.303 56.004 56.287 0.033 0.000 1.078 28 K CB 0.362 32.877 32.500 0.025 0.000 1.358 28 K HN 0.476 nan 8.250 nan 0.000 0.531 29 L N 3.887 125.123 121.223 0.022 0.000 2.473 29 L HA -0.004 4.336 4.340 0.000 0.000 0.280 29 L C -1.315 175.562 176.870 0.013 0.000 1.266 29 L CA -1.027 53.822 54.840 0.015 0.000 0.824 29 L CB 0.122 42.188 42.059 0.011 0.000 1.091 29 L HN 0.498 nan 8.230 nan 0.000 0.534 30 P HA -0.183 nan 4.420 nan 0.000 0.215 30 P C 0.710 178.016 177.300 0.011 0.000 1.157 30 P CA 1.751 64.856 63.100 0.009 0.000 0.874 30 P CB -0.186 31.518 31.700 0.007 0.000 0.790 31 N N -1.787 116.920 118.700 0.011 0.000 2.609 31 N HA -0.015 4.725 4.740 0.000 0.000 0.190 31 N C 1.070 176.589 175.510 0.015 0.000 1.157 31 N CA 0.719 53.777 53.050 0.013 0.000 0.918 31 N CB -0.525 37.970 38.487 0.014 0.000 0.978 31 N HN 0.143 nan 8.380 nan 0.000 0.448 32 G N 0.339 109.148 108.800 0.015 0.000 2.157 32 G HA2 -0.253 3.708 3.960 0.000 0.000 0.239 32 G HA3 -0.253 3.708 3.960 0.000 0.000 0.239 32 G C -0.224 174.686 174.900 0.018 0.000 0.982 32 G CA -0.036 45.074 45.100 0.017 0.000 0.650 32 G HN 0.346 nan 8.290 nan 0.000 0.527 33 L N 2.020 123.253 121.223 0.016 0.000 2.385 33 L HA 0.623 4.963 4.340 0.000 0.000 0.281 33 L C 0.621 177.501 176.870 0.016 0.000 1.106 33 L CA -0.445 54.404 54.840 0.016 0.000 0.856 33 L CB 0.233 42.300 42.059 0.014 0.000 1.186 33 L HN 0.194 nan 8.230 nan 0.000 0.453 34 I N 6.366 126.945 120.570 0.015 0.000 2.428 34 I HA 0.234 4.404 4.170 0.000 0.000 0.289 34 I C -0.144 175.980 176.117 0.011 0.000 1.019 34 I CA -0.112 61.197 61.300 0.016 0.000 1.351 34 I CB 0.892 38.896 38.000 0.007 0.000 1.412 34 I HN 0.514 nan 8.210 nan 0.000 0.513 35 I N 6.239 126.826 120.570 0.029 0.000 2.437 35 I HA 0.399 4.569 4.170 0.000 0.000 0.279 35 I C 0.180 176.352 176.117 0.091 0.000 1.028 35 I CA -0.310 60.995 61.300 0.008 0.000 1.142 35 I CB 1.380 39.351 38.000 -0.049 0.000 1.266 35 I HN 0.590 nan 8.210 nan 0.000 0.461 36 A N 4.494 127.335 122.820 0.036 0.000 2.264 36 A HA 0.861 5.181 4.320 0.000 0.000 0.304 36 A C -0.108 177.525 177.584 0.081 0.000 1.100 36 A CA -0.323 51.757 52.037 0.072 0.000 0.839 36 A CB 1.476 20.460 19.000 -0.026 0.000 1.121 36 A HN 0.600 nan 8.150 nan 0.000 0.496 37 S N -0.456 115.329 115.700 0.142 0.000 2.558 37 S HA 0.550 5.020 4.470 0.000 0.000 0.277 37 S C -2.160 172.472 174.600 0.053 0.000 1.143 37 S CA -0.415 57.861 58.200 0.127 0.000 0.865 37 S CB 1.158 64.540 63.200 0.305 0.000 1.102 37 S HN 2.080 nan 8.310 nan 0.000 0.454 38 L N 2.929 124.148 121.223 -0.007 0.000 2.676 38 L HA 0.722 5.062 4.340 0.000 0.000 0.262 38 L C -1.303 175.510 176.870 -0.095 0.000 0.932 38 L CA -0.142 54.667 54.840 -0.052 0.000 0.932 38 L CB 1.855 43.878 42.059 -0.060 0.000 1.355 38 L HN 0.802 nan 8.230 nan 0.000 0.421 39 E N 2.832 122.941 120.200 -0.153 0.000 2.081 39 E HA 0.405 4.755 4.350 0.000 0.000 0.281 39 E C -0.165 176.255 176.600 -0.301 0.000 0.986 39 E CA -0.036 56.168 56.400 -0.326 0.000 0.796 39 E CB 0.671 30.064 29.700 -0.510 0.000 1.085 39 E HN 0.603 nan 8.360 nan 0.000 0.398 40 N N 4.292 122.872 118.700 -0.200 0.000 2.234 40 N HA 0.047 4.787 4.740 0.000 0.000 0.227 40 N C -0.459 175.126 175.510 0.125 0.000 1.151 40 N CA -0.508 52.546 53.050 0.006 0.000 0.865 40 N CB -0.589 37.911 38.487 0.021 0.000 1.066 40 N HN 0.497 nan 8.380 nan 0.000 0.515 41 F N -0.540 119.413 119.950 0.005 0.000 3.099 41 F HA -0.297 4.230 4.527 0.000 0.000 0.276 41 F C 0.850 176.653 175.800 0.005 0.000 0.914 41 F CA 0.674 58.676 58.000 0.004 0.000 0.948 41 F CB -2.321 36.681 39.000 0.002 0.000 0.983 41 F HN 0.157 nan 8.300 nan 0.000 0.638 42 S N 1.762 117.517 115.700 0.093 0.000 2.560 42 S HA 0.165 4.635 4.470 0.000 0.000 0.284 42 S C -0.284 174.353 174.600 0.061 0.000 1.327 42 S CA -0.805 57.438 58.200 0.071 0.000 1.055 42 S CB 0.921 64.144 63.200 0.038 0.000 0.868 42 S HN 0.107 nan 8.310 nan 0.000 0.506 43 P HA 0.076 nan 4.420 nan 0.000 0.236 43 P C -0.177 177.145 177.300 0.037 0.000 1.172 43 P CA 0.518 63.647 63.100 0.048 0.000 0.759 43 P CB -0.136 31.590 31.700 0.043 0.000 0.843 44 A N -0.944 121.897 122.820 0.034 0.000 2.435 44 A HA 0.622 4.942 4.320 0.000 0.000 0.304 44 A C -0.123 177.477 177.584 0.026 0.000 1.064 44 A CA -0.395 51.663 52.037 0.035 0.000 0.727 44 A CB 1.442 20.465 19.000 0.040 0.000 1.284 44 A HN -0.050 nan 8.150 nan 0.000 0.415 45 S N -0.221 115.498 115.700 0.030 0.000 2.722 45 S HA 0.818 5.288 4.470 0.000 0.000 0.292 45 S C 0.024 174.649 174.600 0.041 0.000 1.135 45 S CA -0.632 57.584 58.200 0.026 0.000 1.003 45 S CB 1.242 64.456 63.200 0.024 0.000 1.067 45 S HN 0.777 nan 8.310 nan 0.000 0.546 46 R N 1.282 121.808 120.500 0.045 0.000 3.190 46 R HA 0.345 4.685 4.340 0.000 0.000 0.244 46 R C -1.760 174.586 176.300 0.078 0.000 1.788 46 R CA 0.006 56.143 56.100 0.061 0.000 1.160 46 R CB -0.468 29.866 30.300 0.056 0.000 1.494 46 R HN 0.619 nan 8.270 nan 0.000 0.499 47 I N 1.999 122.618 120.570 0.083 0.000 2.612 47 I HA 0.674 4.844 4.170 0.000 0.000 0.295 47 I C 0.806 177.001 176.117 0.130 0.000 1.011 47 I CA -0.462 60.897 61.300 0.098 0.000 1.326 47 I CB 1.836 39.883 38.000 0.079 0.000 1.427 47 I HN 0.688 nan 8.210 nan 0.000 0.537 48 G N 3.492 112.404 108.800 0.187 0.000 2.690 48 G HA2 0.608 4.568 3.960 0.000 0.000 0.293 48 G HA3 0.608 4.568 3.960 0.000 0.000 0.293 48 G C -1.751 173.300 174.900 0.252 0.000 1.399 48 G CA -0.389 44.827 45.100 0.193 0.000 0.890 48 G HN 0.323 nan 8.290 nan 0.000 0.485 49 V N 1.357 121.349 119.914 0.129 0.000 2.349 49 V HA 0.460 4.580 4.120 0.000 0.000 0.284 49 V C -1.026 175.117 176.094 0.081 0.000 1.014 49 V CA -0.638 61.746 62.300 0.140 0.000 0.826 49 V CB 0.578 32.401 31.823 0.001 0.000 1.009 49 V HN 0.510 nan 8.190 nan 0.000 0.431 50 F N 5.378 125.329 119.950 0.001 0.000 2.399 50 F HA 0.716 5.243 4.527 0.000 0.000 0.334 50 F C 0.295 176.059 175.800 -0.060 0.000 1.097 50 F CA -0.942 57.062 58.000 0.005 0.000 1.076 50 F CB 1.190 40.204 39.000 0.024 0.000 1.162 50 F HN 0.224 nan 8.300 nan 0.000 0.495 51 I N 1.829 122.442 120.570 0.072 0.000 2.802 51 I HA 0.273 4.443 4.170 0.000 0.000 0.298 51 I C -0.756 175.372 176.117 0.018 0.000 1.176 51 I CA -1.149 60.118 61.300 -0.054 0.000 1.025 51 I CB 2.560 40.335 38.000 -0.375 0.000 1.243 51 I HN 0.372 nan 8.210 nan 0.000 0.424 52 K N 4.317 124.724 120.400 0.012 0.000 2.150 52 K HA 0.669 4.989 4.320 0.000 0.000 0.261 52 K C -0.622 175.917 176.600 -0.101 0.000 1.127 52 K CA -0.118 56.201 56.287 0.053 0.000 0.989 52 K CB 0.665 33.219 32.500 0.091 0.000 1.475 52 K HN 0.667 nan 8.250 nan 0.000 0.391 53 A N 1.313 124.123 122.820 -0.016 0.000 2.612 53 A HA 0.879 5.199 4.320 0.000 0.000 0.293 53 A C -0.601 177.123 177.584 0.235 0.000 1.075 53 A CA -0.366 51.616 52.037 -0.091 0.000 0.680 53 A CB 2.068 21.231 19.000 0.272 0.000 1.279 53 A HN 0.607 nan 8.150 nan 0.000 0.411 54 G N -0.967 108.086 108.800 0.421 0.000 2.320 54 G HA2 0.545 4.505 3.960 0.000 0.000 0.297 54 G HA3 0.545 4.505 3.960 0.000 0.000 0.297 54 G C 0.585 175.700 174.900 0.358 0.000 1.344 54 G CA 0.654 45.959 45.100 0.343 0.000 0.851 54 G HN 2.017 nan 8.290 nan 0.000 0.567 55 S N -0.593 115.185 115.700 0.131 0.000 2.520 55 S HA -0.183 4.287 4.470 0.000 0.000 0.249 55 S C 1.921 176.581 174.600 0.101 0.000 0.983 55 S CA 1.703 59.946 58.200 0.071 0.000 0.958 55 S CB -0.203 62.969 63.200 -0.046 0.000 0.750 55 S HN 0.775 nan 8.310 nan 0.000 0.527 56 R N -0.030 120.559 120.500 0.147 0.000 2.115 56 R HA -0.020 4.320 4.340 0.000 0.000 0.226 56 R C 0.873 177.141 176.300 -0.053 0.000 1.100 56 R CA 1.166 57.248 56.100 -0.029 0.000 0.980 56 R CB -0.214 29.991 30.300 -0.158 0.000 0.875 56 R HN 0.589 nan 8.270 nan 0.000 0.445 57 Y N 0.788 121.154 120.300 0.111 0.000 2.461 57 Y HA 0.260 4.810 4.550 0.000 0.000 0.277 57 Y C 0.041 176.041 175.900 0.165 0.000 1.182 57 Y CA -0.250 57.916 58.100 0.110 0.000 1.276 57 Y CB 0.009 38.507 38.460 0.063 0.000 1.087 57 Y HN 0.001 nan 8.280 nan 0.000 0.519 58 E N 0.247 120.625 120.200 0.297 0.000 2.366 58 E HA 0.253 4.603 4.350 0.000 0.000 0.266 58 E C -0.257 176.420 176.600 0.127 0.000 1.051 58 E CA 0.042 56.571 56.400 0.216 0.000 0.884 58 E CB 0.825 30.602 29.700 0.128 0.000 1.006 58 E HN 0.034 nan 8.360 nan 0.000 0.417 59 T N 1.043 115.665 114.554 0.115 0.000 2.912 59 T HA 0.054 4.404 4.350 0.000 0.000 0.288 59 T C 1.114 175.859 174.700 0.075 0.000 1.030 59 T CA -0.670 61.479 62.100 0.081 0.000 1.020 59 T CB 1.627 70.543 68.868 0.080 0.000 1.056 59 T HN 0.494 nan 8.240 nan 0.000 0.480 60 T N 1.493 116.087 114.554 0.066 0.000 2.836 60 T HA -0.219 4.131 4.350 0.000 0.000 0.268 60 T C 1.900 176.659 174.700 0.098 0.000 1.080 60 T CA 1.904 64.053 62.100 0.082 0.000 1.128 60 T CB -0.428 68.478 68.868 0.063 0.000 0.839 60 T HN 0.673 nan 8.240 nan 0.000 0.507 61 A N 1.826 124.694 122.820 0.081 0.000 1.970 61 A HA 0.029 4.349 4.320 0.000 0.000 0.216 61 A C 1.785 179.414 177.584 0.074 0.000 1.170 61 A CA 1.371 53.456 52.037 0.079 0.000 0.645 61 A CB -0.149 18.892 19.000 0.069 0.000 0.816 61 A HN 0.725 nan 8.150 nan 0.000 0.447 62 N N -0.129 118.613 118.700 0.071 0.000 2.291 62 N HA 0.193 4.933 4.740 0.000 0.000 0.244 62 N C -0.247 175.265 175.510 0.004 0.000 1.216 62 N CA -0.362 52.715 53.050 0.045 0.000 0.879 62 N CB -0.689 37.848 38.487 0.084 0.000 1.167 62 N HN 0.337 nan 8.380 nan 0.000 0.515 63 L N 0.330 121.555 121.223 0.003 0.000 2.581 63 L HA 0.007 4.347 4.340 0.000 0.000 0.299 63 L C 1.734 178.543 176.870 -0.102 0.000 1.261 63 L CA 1.558 56.373 54.840 -0.040 0.000 0.866 63 L CB -0.096 41.930 42.059 -0.054 0.000 1.113 63 L HN 0.503 nan 8.230 nan 0.000 0.514 64 G N 0.590 109.330 108.800 -0.100 0.000 2.328 64 G HA2 -0.416 3.544 3.960 0.000 0.000 0.256 64 G HA3 -0.416 3.544 3.960 0.000 0.000 0.256 64 G C 1.038 175.836 174.900 -0.169 0.000 1.014 64 G CA 0.930 45.967 45.100 -0.106 0.000 0.620 64 G HN 0.734 nan 8.290 nan 0.000 0.530 65 T N 0.522 114.945 114.554 -0.219 0.000 2.869 65 T HA 0.118 4.468 4.350 0.000 0.000 0.270 65 T C 2.571 176.955 174.700 -0.528 0.000 1.082 65 T CA 2.756 64.654 62.100 -0.336 0.000 1.123 65 T CB -0.446 68.251 68.868 -0.285 0.000 0.856 65 T HN 1.383 nan 8.240 nan 0.000 0.499 66 A N -0.178 122.329 122.820 -0.523 0.000 1.872 66 A HA -0.011 4.309 4.320 0.000 0.000 0.214 66 A C 2.090 179.531 177.584 -0.238 0.000 1.187 66 A CA 1.801 53.502 52.037 -0.560 0.000 0.614 66 A CB -1.108 17.683 19.000 -0.349 0.000 0.826 66 A HN 0.832 nan 8.150 nan 0.000 0.442 67 H N -0.906 118.005 119.070 -0.266 0.000 2.267 67 H HA -0.169 4.387 4.556 0.000 0.000 0.297 67 H C 2.057 177.271 175.328 -0.189 0.000 1.080 67 H CA 1.635 57.566 56.048 -0.196 0.000 1.278 67 H CB -0.093 29.580 29.762 -0.148 0.000 1.365 67 H HN 0.343 nan 8.280 nan 0.000 0.489 68 L N 0.837 121.918 121.223 -0.236 0.000 2.079 68 L HA -0.145 4.195 4.340 0.000 0.000 0.210 68 L C 2.349 179.049 176.870 -0.283 0.000 1.081 68 L CA 1.235 55.877 54.840 -0.330 0.000 0.752 68 L CB -0.758 41.091 42.059 -0.351 0.000 0.896 68 L HN 0.380 nan 8.230 nan 0.000 0.433 69 L N -0.288 120.756 121.223 -0.297 0.000 2.131 69 L HA -0.192 4.148 4.340 0.000 0.000 0.210 69 L C 2.685 179.518 176.870 -0.061 0.000 1.092 69 L CA 1.831 56.522 54.840 -0.249 0.000 0.759 69 L CB -0.716 41.191 42.059 -0.254 0.000 0.903 69 L HN 0.373 nan 8.230 nan 0.000 0.435 70 R N -0.835 119.626 120.500 -0.064 0.000 2.075 70 R HA -0.092 4.248 4.340 0.000 0.000 0.232 70 R C 2.152 178.403 176.300 -0.082 0.000 1.126 70 R CA 1.606 57.666 56.100 -0.067 0.000 0.963 70 R CB -0.253 30.019 30.300 -0.046 0.000 0.858 70 R HN 0.449 nan 8.270 nan 0.000 0.435 71 L N 0.014 121.192 121.223 -0.075 0.000 2.291 71 L HA 0.061 4.401 4.340 0.000 0.000 0.214 71 L C 2.177 179.003 176.870 -0.073 0.000 1.120 71 L CA 0.645 55.437 54.840 -0.081 0.000 0.799 71 L CB -0.280 41.714 42.059 -0.109 0.000 0.925 71 L HN 0.260 nan 8.230 nan 0.000 0.446 72 A N 0.088 122.863 122.820 -0.076 0.000 2.235 72 A HA -0.046 4.274 4.320 0.000 0.000 0.208 72 A C 2.346 179.984 177.584 0.089 0.000 1.172 72 A CA 0.910 52.928 52.037 -0.031 0.000 0.786 72 A CB -0.401 18.517 19.000 -0.136 0.000 0.804 72 A HN 0.483 nan 8.150 nan 0.000 0.479 73 S N 1.511 117.262 115.700 0.085 0.000 2.374 73 S HA -0.133 4.337 4.470 0.000 0.000 0.227 73 S C -0.135 174.531 174.600 0.110 0.000 1.037 73 S CA 1.513 59.804 58.200 0.151 0.000 1.024 73 S CB -1.584 61.657 63.200 0.068 0.000 0.861 73 S HN 0.617 nan 8.310 nan 0.000 0.456 74 P HA 0.242 nan 4.420 nan 0.000 0.245 74 P C 0.205 177.531 177.300 0.044 0.000 1.212 74 P CA 0.085 63.203 63.100 0.030 0.000 0.774 74 P CB -0.138 31.560 31.700 -0.003 0.000 0.999 75 L N 0.832 122.094 121.223 0.064 0.000 2.464 75 L HA 0.144 4.484 4.340 0.000 0.000 0.264 75 L C 1.309 178.214 176.870 0.057 0.000 1.199 75 L CA -0.462 54.415 54.840 0.061 0.000 0.818 75 L CB -0.086 42.022 42.059 0.082 0.000 1.102 75 L HN -0.035 nan 8.230 nan 0.000 0.473 76 T N -1.135 113.445 114.554 0.043 0.000 2.939 76 T HA 0.210 4.560 4.350 0.000 0.000 0.319 76 T C 0.116 174.814 174.700 -0.003 0.000 1.082 76 T CA -0.525 61.599 62.100 0.040 0.000 1.133 76 T CB 0.453 69.353 68.868 0.052 0.000 1.019 76 T HN 0.796 nan 8.240 nan 0.000 0.548 77 T N -0.580 113.978 114.554 0.007 0.000 2.916 77 T HA 0.480 4.830 4.350 0.000 0.000 0.292 77 T C 0.899 175.586 174.700 -0.021 0.000 1.064 77 T CA -1.313 60.766 62.100 -0.034 0.000 1.011 77 T CB 1.831 70.690 68.868 -0.015 0.000 1.152 77 T HN 0.562 nan 8.240 nan 0.000 0.510 78 K N 0.499 120.872 120.400 -0.044 0.000 2.160 78 K HA -0.044 4.276 4.320 0.000 0.000 0.206 78 K C 2.161 178.748 176.600 -0.022 0.000 1.047 78 K CA 1.670 57.939 56.287 -0.030 0.000 0.930 78 K CB -0.456 32.019 32.500 -0.041 0.000 0.720 78 K HN 0.774 nan 8.250 nan 0.000 0.450 79 G N 0.234 109.014 108.800 -0.034 0.000 2.510 79 G HA2 0.207 4.167 3.960 0.000 0.000 0.212 79 G HA3 0.207 4.167 3.960 0.000 0.000 0.212 79 G C 0.118 175.015 174.900 -0.006 0.000 1.151 79 G CA 0.397 45.470 45.100 -0.044 0.000 0.817 79 G HN 0.339 nan 8.290 nan 0.000 0.534 80 A N -0.069 122.774 122.820 0.039 0.000 2.469 80 A HA 0.730 5.050 4.320 0.000 0.000 0.299 80 A C -0.040 177.617 177.584 0.121 0.000 1.098 80 A CA -0.043 52.067 52.037 0.121 0.000 0.737 80 A CB 1.430 20.586 19.000 0.260 0.000 1.312 80 A HN 0.708 nan 8.150 nan 0.000 0.414 81 S N 0.172 115.959 115.700 0.146 0.000 2.654 81 S HA 0.431 4.902 4.470 0.000 0.000 0.283 81 S C 1.156 175.839 174.600 0.138 0.000 1.180 81 S CA 0.266 58.552 58.200 0.143 0.000 1.021 81 S CB 1.437 64.742 63.200 0.175 0.000 1.018 81 S HN 1.241 nan 8.310 nan 0.000 0.532 82 S N 0.506 116.284 115.700 0.131 0.000 2.400 82 S HA -0.190 4.280 4.470 0.000 0.000 0.234 82 S C 1.301 175.976 174.600 0.125 0.000 1.049 82 S CA 1.853 60.118 58.200 0.109 0.000 1.039 82 S CB -0.830 62.441 63.200 0.118 0.000 0.856 82 S HN 0.709 nan 8.310 nan 0.000 0.465 83 F N 1.820 121.776 119.950 0.011 0.000 2.074 83 F HA 0.162 4.689 4.527 0.000 0.000 0.293 83 F C 2.471 178.251 175.800 -0.034 0.000 1.116 83 F CA 1.744 59.740 58.000 -0.007 0.000 1.212 83 F CB -0.690 38.316 39.000 0.010 0.000 0.998 83 F HN 0.062 nan 8.300 nan 0.000 0.471 84 R N 0.504 121.014 120.500 0.018 0.000 2.127 84 R HA -0.148 4.192 4.340 0.000 0.000 0.238 84 R C 2.269 178.377 176.300 -0.319 0.000 1.134 84 R CA 1.795 57.817 56.100 -0.129 0.000 0.975 84 R CB -0.465 29.915 30.300 0.134 0.000 0.865 84 R HN 0.437 nan 8.270 nan 0.000 0.447 85 I N -0.378 120.043 120.570 -0.249 0.000 2.099 85 I HA -0.300 3.870 4.170 0.000 0.000 0.239 85 I C 2.063 177.849 176.117 -0.551 0.000 1.066 85 I CA 1.803 62.808 61.300 -0.491 0.000 1.324 85 I CB -0.511 37.412 38.000 -0.128 0.000 1.037 85 I HN 0.216 nan 8.210 nan 0.000 0.401 86 T N 0.380 114.734 114.554 -0.333 0.000 2.737 86 T HA -0.094 4.256 4.350 0.000 0.000 0.265 86 T C 2.077 176.566 174.700 -0.352 0.000 1.038 86 T CA 0.925 62.853 62.100 -0.286 0.000 1.144 86 T CB -0.137 68.622 68.868 -0.182 0.000 0.866 86 T HN 0.159 nan 8.240 nan 0.000 0.434 87 R N 0.955 121.173 120.500 -0.471 0.000 2.070 87 R HA 0.041 4.381 4.340 0.000 0.000 0.233 87 R C 2.889 178.964 176.300 -0.375 0.000 1.137 87 R CA 1.590 57.403 56.100 -0.478 0.000 0.945 87 R CB -1.469 28.355 30.300 -0.792 0.000 0.845 87 R HN 0.498 nan 8.270 nan 0.000 0.430 88 G N 1.193 109.734 108.800 -0.431 0.000 2.469 88 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 88 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 88 G C 1.653 176.369 174.900 -0.307 0.000 1.150 88 G CA 0.759 45.658 45.100 -0.334 0.000 0.763 88 G HN 0.254 nan 8.290 nan 0.000 0.561 89 I N 0.245 120.545 120.570 -0.451 0.000 2.233 89 I HA -0.090 4.080 4.170 0.000 0.000 0.243 89 I C 2.712 178.727 176.117 -0.170 0.000 1.093 89 I CA 1.025 62.174 61.300 -0.252 0.000 1.380 89 I CB -0.222 37.627 38.000 -0.251 0.000 1.067 89 I HN 0.249 nan 8.210 nan 0.000 0.413 90 E N 0.929 121.017 120.200 -0.188 0.000 2.268 90 E HA -0.176 4.174 4.350 0.000 0.000 0.195 90 E C 2.222 178.743 176.600 -0.133 0.000 0.995 90 E CA 0.965 57.281 56.400 -0.140 0.000 0.836 90 E CB -0.102 29.515 29.700 -0.138 0.000 0.763 90 E HN 0.486 nan 8.360 nan 0.000 0.491 91 A N 1.208 123.937 122.820 -0.152 0.000 2.019 91 A HA -0.126 4.194 4.320 0.000 0.000 0.219 91 A C 2.208 179.692 177.584 -0.167 0.000 1.164 91 A CA 1.481 53.438 52.037 -0.134 0.000 0.644 91 A CB -0.252 18.676 19.000 -0.120 0.000 0.805 91 A HN 0.223 nan 8.150 nan 0.000 0.449 92 V N -4.764 115.021 119.914 -0.215 0.000 3.176 92 V HA 0.592 4.712 4.120 0.000 0.000 0.332 92 V C 0.984 176.946 176.094 -0.220 0.000 1.414 92 V CA 0.216 62.285 62.300 -0.386 0.000 1.133 92 V CB -0.811 30.646 31.823 -0.610 0.000 1.088 92 V HN 1.404 nan 8.190 nan 0.000 0.473 93 G N 0.158 108.886 108.800 -0.121 0.000 2.295 93 G HA2 -0.102 3.858 3.960 0.000 0.000 0.287 93 G HA3 -0.102 3.858 3.960 0.000 0.000 0.287 93 G C 0.497 175.378 174.900 -0.031 0.000 1.055 93 G CA 0.333 45.399 45.100 -0.057 0.000 0.922 93 G HN 1.343 nan 8.290 nan 0.000 0.503 94 G N -0.826 107.946 108.800 -0.046 0.000 2.532 94 G HA2 0.920 4.880 3.960 0.000 0.000 0.291 94 G HA3 0.920 4.880 3.960 0.000 0.000 0.291 94 G C 0.308 175.199 174.900 -0.015 0.000 1.349 94 G CA 0.612 45.705 45.100 -0.012 0.000 1.038 94 G HN 1.815 nan 8.290 nan 0.000 0.518 95 S N -2.082 113.620 115.700 0.004 0.000 2.671 95 S HA 0.742 5.212 4.470 0.000 0.000 0.277 95 S C -1.638 172.966 174.600 0.007 0.000 1.165 95 S CA -0.735 57.464 58.200 -0.001 0.000 0.822 95 S CB 2.061 65.273 63.200 0.019 0.000 1.150 95 S HN 1.611 nan 8.310 nan 0.000 0.479 96 L N 1.272 122.490 121.223 -0.008 0.000 2.795 96 L HA 0.706 5.046 4.340 0.000 0.000 0.260 96 L C -1.184 175.648 176.870 -0.064 0.000 0.935 96 L CA 0.235 55.071 54.840 -0.007 0.000 0.985 96 L CB 1.200 43.257 42.059 -0.003 0.000 1.433 96 L HN 1.153 nan 8.230 nan 0.000 0.447 97 S N 2.846 118.489 115.700 -0.096 0.000 2.685 97 S HA 0.963 5.433 4.470 0.000 0.000 0.282 97 S C -1.145 173.214 174.600 -0.402 0.000 1.159 97 S CA -0.871 57.160 58.200 -0.282 0.000 0.833 97 S CB 2.265 65.227 63.200 -0.397 0.000 1.151 97 S HN 0.521 nan 8.310 nan 0.000 0.485 98 V N 1.963 121.506 119.914 -0.617 0.000 2.488 98 V HA 0.441 4.561 4.120 0.000 0.000 0.293 98 V C -1.889 173.851 176.094 -0.590 0.000 1.027 98 V CA -0.518 61.407 62.300 -0.626 0.000 0.862 98 V CB 0.717 32.097 31.823 -0.738 0.000 1.008 98 V HN 0.869 nan 8.190 nan 0.000 0.428 99 Y N 2.391 122.559 120.300 -0.221 0.000 2.387 99 Y HA 0.783 5.333 4.550 0.000 0.000 0.336 99 Y C 0.582 176.404 175.900 -0.130 0.000 1.067 99 Y CA -0.666 57.348 58.100 -0.143 0.000 1.114 99 Y CB 2.274 40.666 38.460 -0.113 0.000 1.208 99 Y HN 0.674 nan 8.280 nan 0.000 0.458 100 S N -0.312 115.414 115.700 0.043 0.000 2.535 100 S HA 0.642 5.112 4.470 0.000 0.000 0.272 100 S C -0.545 174.060 174.600 0.009 0.000 1.149 100 S CA -0.772 57.442 58.200 0.022 0.000 0.888 100 S CB 1.375 64.570 63.200 -0.009 0.000 1.110 100 S HN 0.780 nan 8.310 nan 0.000 0.463 101 T N -0.182 114.401 114.554 0.050 0.000 2.893 101 T HA 0.509 4.859 4.350 0.000 0.000 0.281 101 T C 0.989 175.703 174.700 0.023 0.000 1.027 101 T CA -1.004 61.131 62.100 0.057 0.000 0.953 101 T CB 0.558 69.515 68.868 0.148 0.000 1.434 101 T HN 0.648 nan 8.240 nan 0.000 0.597 102 R N 0.807 121.311 120.500 0.006 0.000 2.280 102 R HA 0.070 4.410 4.340 0.000 0.000 0.207 102 R C 1.431 177.747 176.300 0.026 0.000 1.043 102 R CA 1.200 57.259 56.100 -0.068 0.000 1.006 102 R CB -0.144 30.015 30.300 -0.235 0.000 0.885 102 R HN 0.882 nan 8.270 nan 0.000 0.467 103 E N 0.744 121.005 120.200 0.102 0.000 2.789 103 E HA 0.076 4.426 4.350 0.000 0.000 0.217 103 E C -0.734 176.009 176.600 0.237 0.000 0.970 103 E CA -0.419 56.111 56.400 0.216 0.000 1.201 103 E CB 0.428 30.217 29.700 0.150 0.000 1.069 103 E HN 0.007 nan 8.360 nan 0.000 0.499 104 K N 0.539 121.049 120.400 0.183 0.000 2.542 104 K HA 0.537 4.857 4.320 0.000 0.000 0.259 104 K C -1.370 175.305 176.600 0.125 0.000 0.932 104 K CA -0.569 55.815 56.287 0.161 0.000 0.820 104 K CB 1.906 34.512 32.500 0.176 0.000 1.345 104 K HN 0.026 nan 8.250 nan 0.000 0.432 105 M N 2.142 121.805 119.600 0.106 0.000 2.259 105 M HA 0.413 4.893 4.480 0.000 0.000 0.304 105 M C -1.162 175.162 176.300 0.039 0.000 1.019 105 M CA -0.558 54.798 55.300 0.092 0.000 0.922 105 M CB 2.893 35.614 32.600 0.203 0.000 1.600 105 M HN 0.807 nan 8.290 nan 0.000 0.433 106 T N 2.364 116.896 114.554 -0.037 0.000 2.792 106 T HA 0.529 4.880 4.350 0.000 0.000 0.280 106 T C -1.373 173.289 174.700 -0.064 0.000 0.990 106 T CA -0.450 61.541 62.100 -0.182 0.000 0.960 106 T CB 0.696 69.274 68.868 -0.483 0.000 0.939 106 T HN 0.306 nan 8.240 nan 0.000 0.439 107 Y N 2.541 122.734 120.300 -0.179 0.000 2.402 107 Y HA 0.492 5.043 4.550 0.000 0.000 0.332 107 Y C 0.698 176.564 175.900 -0.057 0.000 0.960 107 Y CA -1.239 56.815 58.100 -0.077 0.000 1.228 107 Y CB 0.540 38.972 38.460 -0.046 0.000 1.120 107 Y HN 0.869 nan 8.280 nan 0.000 0.491 108 C N 1.638 120.995 119.300 0.095 0.000 2.848 108 C HA 1.003 5.463 4.460 0.000 0.000 0.317 108 C C -0.188 174.865 174.990 0.104 0.000 1.260 108 C CA -1.328 57.750 59.018 0.099 0.000 1.656 108 C CB 0.934 28.722 27.740 0.080 0.000 2.174 108 C HN 0.692 nan 8.230 nan 0.000 0.479 109 V N -1.415 118.559 119.914 0.100 0.000 2.808 109 V HA 0.726 4.846 4.120 0.000 0.000 0.308 109 V C -0.904 175.240 176.094 0.082 0.000 1.099 109 V CA -0.306 62.047 62.300 0.088 0.000 0.920 109 V CB 1.682 33.562 31.823 0.096 0.000 1.014 109 V HN 1.044 nan 8.190 nan 0.000 0.425 110 E N 2.086 122.329 120.200 0.071 0.000 2.249 110 E HA 0.869 5.219 4.350 0.000 0.000 0.263 110 E C -0.881 175.760 176.600 0.068 0.000 0.950 110 E CA -0.278 56.162 56.400 0.067 0.000 0.827 110 E CB 2.262 31.998 29.700 0.059 0.000 1.220 110 E HN 1.342 nan 8.360 nan 0.000 0.411 111 C N -1.280 118.065 119.300 0.075 0.000 2.951 111 C HA 0.291 4.751 4.460 0.000 0.000 0.331 111 C C -1.095 173.960 174.990 0.108 0.000 1.256 111 C CA -1.192 57.886 59.018 0.100 0.000 1.176 111 C CB -0.698 27.118 27.740 0.127 0.000 1.349 111 C HN 0.742 nan 8.230 nan 0.000 0.473 112 L N 2.150 123.466 121.223 0.155 0.000 2.467 112 L HA 0.327 4.667 4.340 0.000 0.000 0.270 112 L C 2.041 178.932 176.870 0.036 0.000 1.205 112 L CA -0.198 54.703 54.840 0.102 0.000 0.828 112 L CB 0.236 42.377 42.059 0.136 0.000 1.101 112 L HN 0.854 nan 8.230 nan 0.000 0.479 113 R N 0.762 121.259 120.500 -0.005 0.000 2.153 113 R HA -0.184 4.156 4.340 0.000 0.000 0.252 113 R C 0.860 177.113 176.300 -0.079 0.000 1.158 113 R CA 1.750 57.833 56.100 -0.028 0.000 0.975 113 R CB -0.310 29.978 30.300 -0.020 0.000 0.871 113 R HN 0.680 nan 8.270 nan 0.000 0.450 114 D N -0.406 119.872 120.400 -0.204 0.000 2.363 114 D HA -0.043 4.597 4.640 0.000 0.000 0.226 114 D C 0.717 176.781 176.300 -0.394 0.000 1.020 114 D CA 0.811 54.619 54.000 -0.319 0.000 0.892 114 D CB 0.133 40.684 40.800 -0.416 0.000 0.900 114 D HN 0.433 nan 8.370 nan 0.000 0.531 115 H N -0.711 118.378 119.070 0.032 0.000 2.785 115 H HA 0.164 4.720 4.556 0.000 0.000 0.268 115 H C 1.974 177.328 175.328 0.044 0.000 1.153 115 H CA -0.158 55.913 56.048 0.039 0.000 1.111 115 H CB 0.517 30.303 29.762 0.040 0.000 1.633 115 H HN -0.068 nan 8.280 nan 0.000 0.576 116 V N 2.200 122.177 119.914 0.105 0.000 2.214 116 V HA -0.334 3.786 4.120 0.000 0.000 0.247 116 V C 2.517 178.661 176.094 0.083 0.000 1.051 116 V CA 2.519 64.869 62.300 0.083 0.000 1.003 116 V CB -0.393 31.456 31.823 0.043 0.000 0.635 116 V HN 0.544 nan 8.190 nan 0.000 0.447 117 D N -0.267 120.173 120.400 0.067 0.000 2.191 117 D HA -0.266 4.374 4.640 0.000 0.000 0.195 117 D C 1.846 178.175 176.300 0.048 0.000 1.003 117 D CA 2.369 56.406 54.000 0.062 0.000 0.867 117 D CB -0.826 40.008 40.800 0.058 0.000 0.926 117 D HN 0.516 nan 8.370 nan 0.000 0.450 118 T N 0.809 115.410 114.554 0.079 0.000 2.732 118 T HA -0.050 4.300 4.350 0.000 0.000 0.261 118 T C 2.313 177.068 174.700 0.091 0.000 1.040 118 T CA 1.309 63.454 62.100 0.074 0.000 1.145 118 T CB -0.477 68.475 68.868 0.141 0.000 0.866 118 T HN 0.068 nan 8.240 nan 0.000 0.427 119 V N 1.418 121.428 119.914 0.160 0.000 2.720 119 V HA -0.130 3.990 4.120 0.000 0.000 0.256 119 V C 2.383 178.565 176.094 0.146 0.000 1.082 119 V CA 1.243 63.674 62.300 0.219 0.000 1.101 119 V CB -0.741 31.177 31.823 0.158 0.000 0.693 119 V HN 0.335 nan 8.190 nan 0.000 0.479 120 M N 0.508 120.142 119.600 0.056 0.000 2.132 120 M HA -0.136 4.344 4.480 0.000 0.000 0.263 120 M C 2.106 178.358 176.300 -0.079 0.000 1.065 120 M CA 1.963 57.274 55.300 0.019 0.000 1.122 120 M CB -0.597 32.025 32.600 0.036 0.000 1.365 120 M HN 0.472 nan 8.290 nan 0.000 0.411 121 E N -0.890 119.171 120.200 -0.231 0.000 2.065 121 E HA -0.288 4.062 4.350 0.000 0.000 0.201 121 E C 1.867 178.235 176.600 -0.387 0.000 1.016 121 E CA 2.316 58.459 56.400 -0.428 0.000 0.818 121 E CB -0.491 28.814 29.700 -0.659 0.000 0.749 121 E HN 0.703 nan 8.360 nan 0.000 0.453 122 Y N 0.075 120.351 120.300 -0.040 0.000 2.224 122 Y HA -0.171 4.379 4.550 0.000 0.000 0.289 122 Y C 2.353 178.250 175.900 -0.006 0.000 1.146 122 Y CA 0.683 58.769 58.100 -0.024 0.000 1.182 122 Y CB -0.413 38.040 38.460 -0.013 0.000 0.983 122 Y HN 0.189 nan 8.280 nan 0.000 0.524 123 L N 0.615 121.913 121.223 0.124 0.000 1.970 123 L HA -0.216 4.125 4.340 0.000 0.000 0.212 123 L C 2.304 179.190 176.870 0.026 0.000 1.071 123 L CA 1.540 56.438 54.840 0.096 0.000 0.751 123 L CB -1.171 40.941 42.059 0.088 0.000 0.889 123 L HN 0.394 nan 8.230 nan 0.000 0.432 124 L N -0.536 120.670 121.223 -0.028 0.000 1.990 124 L HA -0.304 4.036 4.340 0.000 0.000 0.213 124 L C 2.445 179.272 176.870 -0.073 0.000 1.072 124 L CA 2.089 56.889 54.840 -0.066 0.000 0.755 124 L CB -0.665 41.308 42.059 -0.143 0.000 0.889 124 L HN 0.468 nan 8.230 nan 0.000 0.432 125 N N -0.203 118.446 118.700 -0.085 0.000 2.036 125 N HA -0.201 4.539 4.740 0.000 0.000 0.195 125 N C 1.811 177.308 175.510 -0.023 0.000 1.037 125 N CA 2.053 55.065 53.050 -0.063 0.000 0.855 125 N CB -0.350 38.109 38.487 -0.047 0.000 1.033 125 N HN 0.287 nan 8.380 nan 0.000 0.423 126 V N 1.130 121.061 119.914 0.028 0.000 2.255 126 V HA -0.232 3.888 4.120 0.000 0.000 0.247 126 V C 2.591 178.686 176.094 0.002 0.000 1.051 126 V CA 2.340 64.677 62.300 0.062 0.000 1.018 126 V CB -1.207 30.715 31.823 0.165 0.000 0.641 126 V HN 0.560 nan 8.190 nan 0.000 0.445 127 T N -2.032 112.466 114.554 -0.093 0.000 2.985 127 T HA -0.120 4.230 4.350 0.000 0.000 0.266 127 T C 1.619 176.327 174.700 0.014 0.000 1.076 127 T CA 1.681 63.672 62.100 -0.180 0.000 1.135 127 T CB -0.321 68.330 68.868 -0.362 0.000 0.890 127 T HN 0.644 nan 8.240 nan 0.000 0.480 128 T N -1.685 112.858 114.554 -0.018 0.000 2.978 128 T HA 0.580 4.930 4.350 0.000 0.000 0.248 128 T C 1.336 176.015 174.700 -0.036 0.000 1.018 128 T CA 0.190 62.289 62.100 -0.001 0.000 1.026 128 T CB 0.008 68.869 68.868 -0.011 0.000 1.032 128 T HN 0.422 nan 8.240 nan 0.000 0.485 129 A N 2.970 125.749 122.820 -0.068 0.000 2.855 129 A HA 0.577 4.897 4.320 0.000 0.000 0.301 129 A C -2.555 174.936 177.584 -0.155 0.000 1.076 129 A CA -1.403 50.578 52.037 -0.093 0.000 1.004 129 A CB 0.200 19.155 19.000 -0.075 0.000 1.152 129 A HN 0.427 nan 8.150 nan 0.000 0.531 130 P HA 0.140 nan 4.420 nan 0.000 0.273 130 P C -0.008 176.995 177.300 -0.495 0.000 1.250 130 P CA 0.268 63.070 63.100 -0.496 0.000 0.793 130 P CB 1.329 32.439 31.700 -0.983 0.000 1.011 131 E N -0.749 119.168 120.200 -0.472 0.000 2.474 131 E HA 0.174 4.524 4.350 0.000 0.000 0.215 131 E C -0.053 176.427 176.600 -0.200 0.000 0.867 131 E CA -0.225 56.041 56.400 -0.222 0.000 1.135 131 E CB -0.040 29.592 29.700 -0.114 0.000 1.147 131 E HN 0.385 nan 8.360 nan 0.000 0.534 132 F N 2.390 122.203 119.950 -0.228 0.000 2.907 132 F HA -0.284 4.243 4.527 0.000 0.000 0.244 132 F C -0.035 175.580 175.800 -0.309 0.000 1.007 132 F CA -0.219 57.596 58.000 -0.308 0.000 0.872 132 F CB -1.315 37.394 39.000 -0.484 0.000 0.767 132 F HN -0.024 nan 8.300 nan 0.000 0.837 133 R N 0.806 121.143 120.500 -0.271 0.000 2.502 133 R HA -0.045 4.295 4.340 0.000 0.000 0.292 133 R C -1.421 174.453 176.300 -0.711 0.000 0.998 133 R CA -1.026 54.649 56.100 -0.708 0.000 1.056 133 R CB -0.020 29.546 30.300 -1.225 0.000 0.939 133 R HN 0.036 nan 8.270 nan 0.000 0.411 134 P HA -0.253 nan 4.420 nan 0.000 0.218 134 P C 0.889 178.115 177.300 -0.124 0.000 1.165 134 P CA 1.728 64.709 63.100 -0.198 0.000 0.922 134 P CB -0.107 31.594 31.700 0.002 0.000 0.794 135 W N 0.446 121.754 121.300 0.013 0.000 2.354 135 W HA -0.073 4.587 4.660 0.000 0.000 0.315 135 W C 1.902 178.421 176.519 0.000 0.000 1.206 135 W CA 1.088 58.435 57.345 0.003 0.000 1.290 135 W CB -1.726 27.736 29.460 0.004 0.000 1.152 135 W HN -0.040 nan 8.180 nan 0.000 0.489 136 E N 0.807 120.812 120.200 -0.325 0.000 2.114 136 E HA -0.246 4.104 4.350 0.000 0.000 0.199 136 E C 2.210 178.750 176.600 -0.100 0.000 1.008 136 E CA 2.285 58.610 56.400 -0.125 0.000 0.810 136 E CB -0.486 29.082 29.700 -0.220 0.000 0.739 136 E HN 0.241 nan 8.360 nan 0.000 0.456 137 V N 1.002 120.816 119.914 -0.166 0.000 2.358 137 V HA -0.232 3.888 4.120 0.000 0.000 0.246 137 V C 2.296 178.328 176.094 -0.102 0.000 1.047 137 V CA 2.095 64.304 62.300 -0.151 0.000 1.035 137 V CB -0.617 31.095 31.823 -0.184 0.000 0.658 137 V HN 0.337 nan 8.190 nan 0.000 0.452 138 T N -0.418 114.106 114.554 -0.051 0.000 2.777 138 T HA -0.167 4.183 4.350 0.000 0.000 0.266 138 T C 1.600 176.291 174.700 -0.014 0.000 1.040 138 T CA 1.560 63.648 62.100 -0.020 0.000 1.141 138 T CB -0.353 68.535 68.868 0.033 0.000 0.868 138 T HN 0.489 nan 8.240 nan 0.000 0.444 139 D N 0.880 121.288 120.400 0.014 0.000 2.219 139 D HA -0.014 4.626 4.640 0.000 0.000 0.205 139 D C 1.963 178.251 176.300 -0.020 0.000 0.970 139 D CA 0.441 54.450 54.000 0.014 0.000 0.851 139 D CB -0.187 40.644 40.800 0.052 0.000 0.943 139 D HN 0.223 nan 8.370 nan 0.000 0.488 140 L N 0.940 122.135 121.223 -0.046 0.000 2.095 140 L HA -0.072 4.268 4.340 0.000 0.000 0.204 140 L C 2.152 178.961 176.870 -0.102 0.000 1.080 140 L CA 1.436 56.232 54.840 -0.074 0.000 0.759 140 L CB -0.553 41.448 42.059 -0.095 0.000 0.914 140 L HN -0.124 nan 8.230 nan 0.000 0.439 141 Q N 0.534 120.263 119.800 -0.117 0.000 2.156 141 Q HA -0.205 4.135 4.340 0.000 0.000 0.211 141 Q C -0.531 175.395 176.000 -0.123 0.000 0.995 141 Q CA 2.353 58.072 55.803 -0.140 0.000 0.877 141 Q CB -1.567 27.093 28.738 -0.129 0.000 0.920 141 Q HN 0.511 nan 8.270 nan 0.000 0.416 142 P HA -0.202 nan 4.420 nan 0.000 0.222 142 P C 0.995 178.247 177.300 -0.081 0.000 1.142 142 P CA 1.310 64.365 63.100 -0.075 0.000 0.788 142 P CB 0.112 31.781 31.700 -0.052 0.000 0.767 143 Q N 0.364 120.109 119.800 -0.091 0.000 2.167 143 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 143 Q C 2.271 178.208 176.000 -0.106 0.000 0.970 143 Q CA 1.079 56.830 55.803 -0.086 0.000 0.855 143 Q CB -1.147 27.540 28.738 -0.085 0.000 0.911 143 Q HN 0.204 nan 8.270 nan 0.000 0.438 144 L N 0.173 121.294 121.223 -0.169 0.000 2.079 144 L HA -0.226 4.114 4.340 0.000 0.000 0.210 144 L C 2.479 179.287 176.870 -0.103 0.000 1.081 144 L CA 1.621 56.328 54.840 -0.221 0.000 0.752 144 L CB -0.494 41.366 42.059 -0.332 0.000 0.896 144 L HN 0.236 nan 8.230 nan 0.000 0.433 145 K N -0.109 120.229 120.400 -0.104 0.000 2.057 145 K HA -0.161 4.159 4.320 0.000 0.000 0.207 145 K C 2.005 178.554 176.600 -0.084 0.000 1.049 145 K CA 1.348 57.578 56.287 -0.095 0.000 0.931 145 K CB 0.039 32.488 32.500 -0.084 0.000 0.714 145 K HN 0.064 nan 8.250 nan 0.000 0.440 146 V N 1.147 121.022 119.914 -0.065 0.000 2.239 146 V HA -0.240 3.880 4.120 0.000 0.000 0.242 146 V C 1.930 178.000 176.094 -0.040 0.000 1.038 146 V CA 2.270 64.540 62.300 -0.050 0.000 1.002 146 V CB -0.578 31.221 31.823 -0.040 0.000 0.641 146 V HN 0.467 nan 8.190 nan 0.000 0.449 147 D N 0.023 120.415 120.400 -0.013 0.000 2.157 147 D HA -0.303 4.337 4.640 0.000 0.000 0.191 147 D C 2.173 178.468 176.300 -0.008 0.000 1.004 147 D CA 2.148 56.168 54.000 0.033 0.000 0.854 147 D CB -0.181 40.699 40.800 0.133 0.000 0.936 147 D HN 0.396 nan 8.370 nan 0.000 0.446 148 K N -0.540 119.849 120.400 -0.018 0.000 2.097 148 K HA -0.079 4.241 4.320 0.000 0.000 0.205 148 K C 1.983 178.447 176.600 -0.226 0.000 1.050 148 K CA 1.170 57.341 56.287 -0.193 0.000 0.938 148 K CB -0.189 32.218 32.500 -0.154 0.000 0.718 148 K HN 0.172 nan 8.250 nan 0.000 0.442 149 A N 0.832 123.564 122.820 -0.146 0.000 1.930 149 A HA -0.106 4.214 4.320 0.000 0.000 0.217 149 A C 2.210 179.772 177.584 -0.037 0.000 1.175 149 A CA 1.677 53.655 52.037 -0.099 0.000 0.627 149 A CB -0.731 18.222 19.000 -0.078 0.000 0.815 149 A HN 0.309 nan 8.150 nan 0.000 0.443 150 V N -2.680 117.209 119.914 -0.043 0.000 2.488 150 V HA 0.073 4.193 4.120 0.000 0.000 0.246 150 V C 2.454 178.529 176.094 -0.032 0.000 1.046 150 V CA 1.592 63.877 62.300 -0.026 0.000 1.053 150 V CB -1.252 30.558 31.823 -0.021 0.000 0.679 150 V HN 0.478 nan 8.190 nan 0.000 0.458 151 A N 0.314 123.086 122.820 -0.080 0.000 1.858 151 A HA -0.079 4.242 4.320 0.000 0.000 0.216 151 A C 1.822 179.358 177.584 -0.081 0.000 1.190 151 A CA 1.959 53.913 52.037 -0.138 0.000 0.617 151 A CB -1.090 17.619 19.000 -0.484 0.000 0.827 151 A HN 0.566 nan 8.150 nan 0.000 0.443 152 F N 1.041 120.828 119.950 -0.271 0.000 2.788 152 F HA -0.030 4.497 4.527 0.000 0.000 0.300 152 F C 2.258 177.983 175.800 -0.125 0.000 1.229 152 F CA 0.596 58.484 58.000 -0.187 0.000 1.446 152 F CB -0.371 38.524 39.000 -0.175 0.000 1.118 152 F HN 0.388 nan 8.300 nan 0.000 0.579 153 Q N -0.750 119.063 119.800 0.021 0.000 2.311 153 Q HA -0.002 4.338 4.340 0.000 0.000 0.203 153 Q C 0.444 176.426 176.000 -0.029 0.000 0.954 153 Q CA 0.670 56.477 55.803 0.007 0.000 0.885 153 Q CB -0.003 28.738 28.738 0.005 0.000 0.963 153 Q HN 0.223 nan 8.270 nan 0.000 0.471 154 S N 1.810 117.464 115.700 -0.076 0.000 2.422 154 S HA 0.209 4.679 4.470 0.000 0.000 0.308 154 S C -2.136 172.348 174.600 -0.193 0.000 1.097 154 S CA -1.255 56.887 58.200 -0.096 0.000 1.099 154 S CB 1.458 64.614 63.200 -0.074 0.000 0.976 154 S HN -0.019 nan 8.310 nan 0.000 0.471 155 P HA -0.198 nan 4.420 nan 0.000 0.219 155 P C 1.728 178.829 177.300 -0.332 0.000 1.146 155 P CA 0.728 63.567 63.100 -0.434 0.000 0.808 155 P CB 0.123 31.363 31.700 -0.766 0.000 0.779 156 Q N 0.083 119.783 119.800 -0.167 0.000 2.156 156 Q HA -0.229 4.111 4.340 0.000 0.000 0.211 156 Q C 1.902 177.875 176.000 -0.045 0.000 0.995 156 Q CA 2.005 57.823 55.803 0.025 0.000 0.877 156 Q CB -0.821 27.905 28.738 -0.020 0.000 0.920 156 Q HN 0.144 nan 8.270 nan 0.000 0.416 157 V N 0.175 119.979 119.914 -0.184 0.000 2.871 157 V HA -0.040 4.081 4.120 0.000 0.000 0.256 157 V C 1.961 177.783 176.094 -0.454 0.000 1.082 157 V CA 1.826 63.962 62.300 -0.274 0.000 1.105 157 V CB -0.317 31.296 31.823 -0.350 0.000 0.713 157 V HN 0.555 nan 8.190 nan 0.000 0.473 158 G N 0.020 108.519 108.800 -0.502 0.000 2.394 158 G HA2 -0.167 3.793 3.960 0.000 0.000 0.214 158 G HA3 -0.167 3.793 3.960 0.000 0.000 0.214 158 G C 1.669 176.447 174.900 -0.203 0.000 1.176 158 G CA 1.321 46.150 45.100 -0.452 0.000 0.786 158 G HN 0.666 nan 8.290 nan 0.000 0.533 159 V N -0.581 119.238 119.914 -0.159 0.000 2.515 159 V HA 0.028 4.148 4.120 0.000 0.000 0.250 159 V C 2.643 178.685 176.094 -0.087 0.000 1.058 159 V CA 1.151 63.371 62.300 -0.132 0.000 1.064 159 V CB -0.583 31.121 31.823 -0.199 0.000 0.675 159 V HN 0.293 nan 8.190 nan 0.000 0.461 160 L N -0.376 120.822 121.223 -0.042 0.000 2.141 160 L HA -0.067 4.273 4.340 0.000 0.000 0.209 160 L C 3.055 179.990 176.870 0.108 0.000 1.094 160 L CA 1.654 56.524 54.840 0.050 0.000 0.763 160 L CB -0.683 41.419 42.059 0.070 0.000 0.908 160 L HN 0.383 nan 8.230 nan 0.000 0.437 161 E N 0.358 120.566 120.200 0.014 0.000 2.028 161 E HA -0.160 4.191 4.350 0.000 0.000 0.191 161 E C 1.835 178.497 176.600 0.103 0.000 0.988 161 E CA 0.947 57.376 56.400 0.048 0.000 0.799 161 E CB -0.273 29.473 29.700 0.078 0.000 0.755 161 E HN 0.521 nan 8.360 nan 0.000 0.447 162 N N 0.965 119.705 118.700 0.067 0.000 2.453 162 N HA -0.125 4.615 4.740 0.000 0.000 0.183 162 N C 1.912 177.459 175.510 0.061 0.000 1.041 162 N CA 0.337 53.426 53.050 0.066 0.000 0.900 162 N CB -0.041 38.457 38.487 0.018 0.000 0.961 162 N HN 0.073 nan 8.380 nan 0.000 0.443 163 L N 1.022 122.286 121.223 0.069 0.000 1.993 163 L HA -0.073 4.267 4.340 0.000 0.000 0.206 163 L C 1.697 178.646 176.870 0.132 0.000 1.074 163 L CA 1.830 56.694 54.840 0.040 0.000 0.746 163 L CB -0.887 41.180 42.059 0.015 0.000 0.896 163 L HN 0.072 nan 8.230 nan 0.000 0.435 164 H N -0.608 118.533 119.070 0.119 0.000 2.518 164 H HA -0.067 4.489 4.556 0.000 0.000 0.294 164 H C 1.973 177.416 175.328 0.191 0.000 1.083 164 H CA 1.118 57.272 56.048 0.177 0.000 1.264 164 H CB -0.325 29.475 29.762 0.063 0.000 1.370 164 H HN 0.504 nan 8.280 nan 0.000 0.560 165 A N -0.180 122.794 122.820 0.257 0.000 2.030 165 A HA 0.271 4.591 4.320 0.000 0.000 0.215 165 A C 2.319 180.098 177.584 0.326 0.000 1.164 165 A CA 0.908 53.097 52.037 0.254 0.000 0.697 165 A CB -0.256 18.866 19.000 0.202 0.000 0.827 165 A HN 0.422 nan 8.150 nan 0.000 0.457 166 A N -0.713 122.191 122.820 0.141 0.000 2.044 166 A HA 0.522 4.842 4.320 0.000 0.000 0.213 166 A C 2.173 179.614 177.584 -0.238 0.000 1.169 166 A CA 1.104 53.068 52.037 -0.121 0.000 0.724 166 A CB -0.465 18.363 19.000 -0.286 0.000 0.840 166 A HN 0.831 nan 8.150 nan 0.000 0.463 167 A N -1.635 121.093 122.820 -0.154 0.000 2.119 167 A HA 0.410 4.730 4.320 0.000 0.000 0.216 167 A C 0.503 177.630 177.584 -0.762 0.000 1.152 167 A CA 0.639 52.358 52.037 -0.529 0.000 0.708 167 A CB -0.202 18.634 19.000 -0.274 0.000 0.805 167 A HN 0.462 nan 8.150 nan 0.000 0.460 168 Y N -2.528 117.721 120.300 -0.085 0.000 2.705 168 Y HA 0.491 5.041 4.550 0.000 0.000 0.332 168 Y C 0.794 176.789 175.900 0.157 0.000 1.157 168 Y CA -1.038 57.069 58.100 0.012 0.000 1.091 168 Y CB 1.393 39.854 38.460 0.002 0.000 1.301 168 Y HN -0.143 nan 8.280 nan 0.000 0.488 169 K N -0.309 120.242 120.400 0.252 0.000 2.412 169 K HA 0.291 4.611 4.320 0.000 0.000 0.202 169 K C -0.565 176.074 176.600 0.066 0.000 1.102 169 K CA 0.516 56.850 56.287 0.079 0.000 1.027 169 K CB 1.101 33.604 32.500 0.006 0.000 0.931 169 K HN 0.841 nan 8.250 nan 0.000 0.557 170 T N -4.431 110.196 114.554 0.123 0.000 2.653 170 T HA 0.532 4.882 4.350 0.000 0.000 0.306 170 T C 0.731 175.433 174.700 0.005 0.000 1.426 170 T CA -0.383 61.750 62.100 0.054 0.000 1.008 170 T CB 1.052 69.940 68.868 0.033 0.000 1.692 170 T HN -0.075 nan 8.240 nan 0.000 0.483 171 A N 0.478 123.271 122.820 -0.046 0.000 1.334 171 A HA -0.279 4.041 4.320 0.000 0.000 0.379 171 A C 1.873 179.339 177.584 -0.198 0.000 4.765 171 A CA 2.806 54.767 52.037 -0.128 0.000 1.090 171 A CB -2.292 16.609 19.000 -0.165 0.000 1.457 171 A HN 1.059 nan 8.150 nan 0.000 0.717 172 L N -0.965 120.056 121.223 -0.336 0.000 2.395 172 L HA 0.073 4.413 4.340 0.000 0.000 0.218 172 L C 2.838 179.512 176.870 -0.327 0.000 1.130 172 L CA 0.883 55.392 54.840 -0.552 0.000 0.826 172 L CB -0.479 40.855 42.059 -1.209 0.000 0.941 172 L HN 0.696 nan 8.230 nan 0.000 0.451 173 A N -0.678 122.063 122.820 -0.131 0.000 2.167 173 A HA -0.037 4.283 4.320 0.000 0.000 0.214 173 A C 0.786 178.395 177.584 0.043 0.000 1.151 173 A CA 0.323 52.400 52.037 0.067 0.000 0.735 173 A CB -0.418 18.674 19.000 0.154 0.000 0.802 173 A HN 0.315 nan 8.150 nan 0.000 0.467 174 N N 1.654 120.342 118.700 -0.020 0.000 2.475 174 N HA 0.226 4.967 4.740 0.000 0.000 0.267 174 N C -2.616 172.872 175.510 -0.037 0.000 1.169 174 N CA -1.534 51.508 53.050 -0.014 0.000 0.947 174 N CB 0.512 38.987 38.487 -0.020 0.000 1.061 174 N HN 0.291 nan 8.380 nan 0.000 0.466 175 P HA -0.064 nan 4.420 nan 0.000 0.269 175 P C 0.690 177.936 177.300 -0.091 0.000 1.217 175 P CA -0.358 62.733 63.100 -0.015 0.000 0.783 175 P CB 0.968 32.699 31.700 0.052 0.000 0.898 176 L N 1.470 122.597 121.223 -0.159 0.000 2.375 176 L HA 0.200 4.540 4.340 0.000 0.000 0.215 176 L C 0.239 176.752 176.870 -0.596 0.000 1.108 176 L CA 0.695 55.314 54.840 -0.368 0.000 0.830 176 L CB -0.691 41.085 42.059 -0.472 0.000 0.959 176 L HN 0.245 nan 8.230 nan 0.000 0.457 177 Y N -1.204 119.018 120.300 -0.130 0.000 2.328 177 Y HA 0.292 4.842 4.550 0.000 0.000 0.336 177 Y C 0.530 176.438 175.900 0.013 0.000 0.960 177 Y CA -0.951 57.023 58.100 -0.210 0.000 1.134 177 Y CB 0.955 39.380 38.460 -0.058 0.000 1.166 177 Y HN -0.160 nan 8.280 nan 0.000 0.464 178 C N 7.970 127.506 119.300 0.393 0.000 1.986 178 C HA -0.030 4.430 4.460 0.000 0.000 0.404 178 C C -1.662 173.328 174.990 -0.001 0.000 1.551 178 C CA -1.210 57.896 59.018 0.147 0.000 1.457 178 C CB -0.682 27.101 27.740 0.072 0.000 2.639 178 C HN 0.531 nan 8.230 nan 0.000 0.590 179 P HA 0.117 nan 4.420 nan 0.000 0.269 179 P C 0.446 177.601 177.300 -0.240 0.000 1.215 179 P CA 0.277 63.268 63.100 -0.182 0.000 0.780 179 P CB 0.596 32.131 31.700 -0.275 0.000 0.898 180 D N 1.385 121.693 120.400 -0.152 0.000 2.108 180 D HA -0.238 4.402 4.640 0.000 0.000 0.190 180 D C 1.823 178.070 176.300 -0.087 0.000 0.995 180 D CA 1.928 55.863 54.000 -0.108 0.000 0.834 180 D CB -1.438 39.331 40.800 -0.051 0.000 0.967 180 D HN 0.606 nan 8.370 nan 0.000 0.446 181 Y N 0.596 120.876 120.300 -0.033 0.000 2.283 181 Y HA -0.137 4.413 4.550 0.000 0.000 0.285 181 Y C 1.722 177.603 175.900 -0.031 0.000 1.176 181 Y CA 1.253 59.336 58.100 -0.028 0.000 1.229 181 Y CB -0.575 37.874 38.460 -0.019 0.000 0.975 181 Y HN -0.115 nan 8.280 nan 0.000 0.537 182 R N 0.539 120.747 120.500 -0.486 0.000 2.310 182 R HA 0.162 4.502 4.340 0.000 0.000 0.202 182 R C -0.049 176.145 176.300 -0.176 0.000 0.933 182 R CA -0.201 55.706 56.100 -0.322 0.000 1.054 182 R CB 0.102 30.093 30.300 -0.514 0.000 0.985 182 R HN 0.245 nan 8.270 nan 0.000 0.489 183 I N 1.114 121.595 120.570 -0.148 0.000 2.598 183 I HA -0.031 4.139 4.170 0.000 0.000 0.284 183 I C 1.476 177.540 176.117 -0.089 0.000 1.140 183 I CA 1.163 62.388 61.300 -0.126 0.000 1.420 183 I CB 0.304 38.237 38.000 -0.111 0.000 1.387 183 I HN 0.495 nan 8.210 nan 0.000 0.553 184 G N 6.180 114.920 108.800 -0.100 0.000 2.225 184 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 184 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 184 G C 1.000 175.864 174.900 -0.060 0.000 0.988 184 G CA 0.134 45.189 45.100 -0.074 0.000 0.625 184 G HN 0.595 nan 8.290 nan 0.000 0.527 185 K N -0.070 120.295 120.400 -0.058 0.000 2.387 185 K HA 0.440 4.760 4.320 0.000 0.000 0.198 185 K C 0.997 177.565 176.600 -0.054 0.000 1.022 185 K CA -0.264 56.002 56.287 -0.034 0.000 1.128 185 K CB 0.384 32.890 32.500 0.009 0.000 0.853 185 K HN 0.483 nan 8.250 nan 0.000 0.523 186 I N 1.197 121.709 120.570 -0.096 0.000 2.764 186 I HA 0.039 4.209 4.170 0.000 0.000 0.294 186 I C 0.768 176.815 176.117 -0.118 0.000 1.045 186 I CA -0.210 61.018 61.300 -0.121 0.000 1.340 186 I CB 1.264 39.157 38.000 -0.179 0.000 1.436 186 I HN 0.044 nan 8.210 nan 0.000 0.567 187 T N -0.486 113.993 114.554 -0.125 0.000 2.906 187 T HA 0.260 4.610 4.350 0.000 0.000 0.295 187 T C 0.535 175.147 174.700 -0.145 0.000 1.075 187 T CA -0.716 61.317 62.100 -0.111 0.000 1.005 187 T CB 1.706 70.532 68.868 -0.069 0.000 1.136 187 T HN 0.434 nan 8.240 nan 0.000 0.498 188 S N 0.476 116.115 115.700 -0.102 0.000 2.419 188 S HA -0.084 4.386 4.470 0.000 0.000 0.235 188 S C 1.677 176.288 174.600 0.017 0.000 1.019 188 S CA 1.463 59.631 58.200 -0.055 0.000 0.982 188 S CB -0.465 62.754 63.200 0.032 0.000 0.789 188 S HN 0.804 nan 8.310 nan 0.000 0.490 189 E N 1.595 121.756 120.200 -0.066 0.000 2.015 189 E HA -0.094 4.256 4.350 0.000 0.000 0.191 189 E C 2.287 178.658 176.600 -0.381 0.000 0.991 189 E CA 1.069 57.320 56.400 -0.250 0.000 0.802 189 E CB -0.416 29.144 29.700 -0.234 0.000 0.759 189 E HN 0.504 nan 8.360 nan 0.000 0.447 190 Q N 0.098 119.776 119.800 -0.203 0.000 2.133 190 Q HA -0.193 4.147 4.340 0.000 0.000 0.208 190 Q C 2.314 178.285 176.000 -0.049 0.000 0.991 190 Q CA 1.278 57.027 55.803 -0.089 0.000 0.867 190 Q CB -0.302 28.397 28.738 -0.065 0.000 0.911 190 Q HN 0.274 nan 8.270 nan 0.000 0.417 191 L N -0.800 120.326 121.223 -0.161 0.000 1.994 191 L HA -0.226 4.114 4.340 0.000 0.000 0.208 191 L C 2.249 179.186 176.870 0.111 0.000 1.071 191 L CA 1.534 56.233 54.840 -0.235 0.000 0.745 191 L CB -0.516 41.027 42.059 -0.860 0.000 0.892 191 L HN 0.308 nan 8.230 nan 0.000 0.431 192 H N -1.471 117.723 119.070 0.206 0.000 2.290 192 H HA -0.197 4.359 4.556 0.000 0.000 0.298 192 H C 2.441 177.877 175.328 0.180 0.000 1.087 192 H CA 1.899 58.058 56.048 0.184 0.000 1.291 192 H CB 0.048 29.848 29.762 0.062 0.000 1.369 192 H HN 0.317 nan 8.280 nan 0.000 0.492 193 H N -0.732 118.467 119.070 0.214 0.000 2.319 193 H HA -0.159 4.397 4.556 0.000 0.000 0.299 193 H C 2.155 177.523 175.328 0.067 0.000 1.092 193 H CA 1.413 57.527 56.048 0.110 0.000 1.302 193 H CB -1.012 28.804 29.762 0.090 0.000 1.373 193 H HN 0.326 nan 8.280 nan 0.000 0.497 194 F N 1.082 121.083 119.950 0.086 0.000 2.065 194 F HA -0.256 4.271 4.527 0.000 0.000 0.298 194 F C 2.421 178.136 175.800 -0.142 0.000 1.112 194 F CA 1.305 59.288 58.000 -0.028 0.000 1.212 194 F CB -0.465 38.484 39.000 -0.084 0.000 0.975 194 F HN -0.087 nan 8.300 nan 0.000 0.476 195 V N 0.311 120.217 119.914 -0.012 0.000 2.343 195 V HA -0.329 3.791 4.120 0.000 0.000 0.247 195 V C 2.189 178.182 176.094 -0.168 0.000 1.051 195 V CA 2.314 64.400 62.300 -0.357 0.000 1.036 195 V CB -0.818 30.839 31.823 -0.277 0.000 0.654 195 V HN 0.432 nan 8.190 nan 0.000 0.451 196 Q N -0.071 119.718 119.800 -0.018 0.000 2.224 196 Q HA -0.113 4.227 4.340 0.000 0.000 0.203 196 Q C 1.614 177.596 176.000 -0.029 0.000 0.970 196 Q CA 1.131 56.940 55.803 0.009 0.000 0.865 196 Q CB -0.189 28.586 28.738 0.061 0.000 0.922 196 Q HN 0.619 nan 8.270 nan 0.000 0.445 197 N N -0.146 118.504 118.700 -0.083 0.000 2.336 197 N HA 0.058 4.798 4.740 0.000 0.000 0.189 197 N C 0.525 175.932 175.510 -0.172 0.000 1.113 197 N CA 0.359 53.340 53.050 -0.115 0.000 0.858 197 N CB 0.433 38.846 38.487 -0.124 0.000 0.970 197 N HN 0.315 nan 8.380 nan 0.000 0.471 198 N N -0.506 118.080 118.700 -0.190 0.000 2.428 198 N HA 0.068 4.809 4.740 0.000 0.000 0.249 198 N C -0.370 175.224 175.510 0.140 0.000 1.092 198 N CA -0.033 52.923 53.050 -0.156 0.000 0.833 198 N CB 0.174 38.382 38.487 -0.465 0.000 1.575 198 N HN -0.044 nan 8.380 nan 0.000 0.476 199 F N 3.606 123.484 119.950 -0.119 0.000 2.651 199 F HA 0.162 4.689 4.527 0.000 0.000 0.369 199 F C 0.943 176.713 175.800 -0.050 0.000 1.187 199 F CA -0.456 57.506 58.000 -0.064 0.000 1.335 199 F CB -1.277 37.697 39.000 -0.042 0.000 1.707 199 F HN -0.161 nan 8.300 nan 0.000 0.637 200 T N -3.543 111.076 114.554 0.107 0.000 2.823 200 T HA 0.286 4.636 4.350 0.000 0.000 0.279 200 T C 1.307 176.026 174.700 0.032 0.000 0.998 200 T CA -0.182 61.950 62.100 0.054 0.000 0.994 200 T CB 1.728 70.615 68.868 0.031 0.000 0.960 200 T HN 0.281 nan 8.240 nan 0.000 0.448 201 S N 2.413 118.129 115.700 0.027 0.000 2.421 201 S HA -0.261 4.209 4.470 0.000 0.000 0.239 201 S C 2.047 176.658 174.600 0.018 0.000 1.054 201 S CA 1.142 59.353 58.200 0.019 0.000 1.035 201 S CB -1.066 62.146 63.200 0.020 0.000 0.840 201 S HN 1.197 nan 8.310 nan 0.000 0.475 202 A N 0.793 123.626 122.820 0.021 0.000 2.238 202 A HA 0.329 4.649 4.320 0.000 0.000 0.208 202 A C 2.012 179.612 177.584 0.027 0.000 1.177 202 A CA 0.079 52.129 52.037 0.023 0.000 0.804 202 A CB -0.169 18.845 19.000 0.024 0.000 0.823 202 A HN 0.628 nan 8.150 nan 0.000 0.482 203 R N -1.610 118.903 120.500 0.022 0.000 2.509 203 R HA 0.393 4.733 4.340 0.000 0.000 0.297 203 R C -0.365 175.942 176.300 0.011 0.000 0.951 203 R CA 0.021 56.135 56.100 0.023 0.000 1.103 203 R CB 0.438 30.745 30.300 0.013 0.000 1.283 203 R HN 0.408 nan 8.270 nan 0.000 0.534 204 M N 0.335 119.937 119.600 0.004 0.000 2.598 204 M HA 0.594 5.074 4.480 0.000 0.000 0.317 204 M C -0.920 175.395 176.300 0.025 0.000 1.179 204 M CA -0.823 54.475 55.300 -0.003 0.000 0.936 204 M CB 2.455 35.028 32.600 -0.044 0.000 1.713 204 M HN -0.049 nan 8.290 nan 0.000 0.460 205 A N 2.189 125.045 122.820 0.061 0.000 2.422 205 A HA 0.766 5.086 4.320 0.000 0.000 0.302 205 A C -1.638 176.006 177.584 0.101 0.000 1.041 205 A CA -0.606 51.459 52.037 0.047 0.000 0.708 205 A CB 1.351 20.343 19.000 -0.013 0.000 1.257 205 A HN 0.779 nan 8.150 nan 0.000 0.414 206 L N 4.131 125.387 121.223 0.055 0.000 2.417 206 L HA 0.498 4.838 4.340 0.000 0.000 0.258 206 L C -0.435 176.462 176.870 0.045 0.000 1.088 206 L CA -0.117 54.769 54.840 0.075 0.000 0.975 206 L CB 0.273 42.351 42.059 0.033 0.000 1.341 206 L HN 0.473 nan 8.230 nan 0.000 0.431 207 V N 1.995 121.958 119.914 0.080 0.000 3.441 207 V HA 0.760 4.880 4.120 0.000 0.000 0.300 207 V C 0.948 177.084 176.094 0.071 0.000 1.091 207 V CA 0.007 62.317 62.300 0.016 0.000 1.099 207 V CB 1.088 32.853 31.823 -0.095 0.000 1.138 207 V HN 0.818 nan 8.190 nan 0.000 0.471 208 G N 1.571 110.393 108.800 0.037 0.000 2.880 208 G HA2 0.382 4.342 3.960 0.000 0.000 0.303 208 G HA3 0.382 4.342 3.960 0.000 0.000 0.303 208 G C -0.973 173.933 174.900 0.009 0.000 2.853 208 G CA -0.665 44.455 45.100 0.033 0.000 0.748 208 G HN 0.504 nan 8.290 nan 0.000 0.349 209 I N 1.034 121.616 120.570 0.021 0.000 2.779 209 I HA 0.389 4.559 4.170 0.000 0.000 0.285 209 I C 1.606 177.711 176.117 -0.021 0.000 1.134 209 I CA 1.206 62.503 61.300 -0.003 0.000 1.398 209 I CB 1.238 39.245 38.000 0.012 0.000 1.404 209 I HN 0.925 nan 8.210 nan 0.000 0.587 210 G N 3.940 112.705 108.800 -0.057 0.000 2.153 210 G HA2 -0.172 3.788 3.960 0.000 0.000 0.252 210 G HA3 -0.172 3.788 3.960 0.000 0.000 0.252 210 G C -0.134 174.708 174.900 -0.097 0.000 0.994 210 G CA 0.244 45.297 45.100 -0.079 0.000 0.698 210 G HN 0.855 nan 8.290 nan 0.000 0.521 211 V N -4.100 115.754 119.914 -0.100 0.000 3.114 211 V HA 0.810 4.930 4.120 0.000 0.000 0.308 211 V C 0.094 176.130 176.094 -0.096 0.000 1.168 211 V CA -1.395 60.850 62.300 -0.091 0.000 1.015 211 V CB 1.923 33.715 31.823 -0.051 0.000 1.050 211 V HN 0.395 nan 8.190 nan 0.000 0.433 212 K N 0.451 120.804 120.400 -0.079 0.000 2.276 212 K HA 0.260 4.580 4.320 0.000 0.000 0.283 212 K C 0.943 177.539 176.600 -0.007 0.000 1.044 212 K CA -0.140 56.120 56.287 -0.044 0.000 0.944 212 K CB 0.560 33.041 32.500 -0.032 0.000 1.012 212 K HN 0.974 nan 8.250 nan 0.000 0.472 213 H N 2.110 121.147 119.070 -0.055 0.000 2.390 213 H HA -0.200 4.356 4.556 0.000 0.000 0.298 213 H C 1.883 177.191 175.328 -0.033 0.000 1.106 213 H CA 2.772 58.795 56.048 -0.042 0.000 1.297 213 H CB 0.307 30.044 29.762 -0.041 0.000 1.375 213 H HN 0.778 nan 8.280 nan 0.000 0.509 214 S N -0.424 115.321 115.700 0.076 0.000 2.382 214 S HA -0.176 4.294 4.470 0.000 0.000 0.228 214 S C 1.786 176.360 174.600 -0.044 0.000 1.027 214 S CA 1.368 59.584 58.200 0.027 0.000 0.991 214 S CB -0.078 63.139 63.200 0.027 0.000 0.823 214 S HN 0.478 nan 8.310 nan 0.000 0.469 215 D N 1.598 121.968 120.400 -0.049 0.000 2.084 215 D HA -0.033 4.607 4.640 0.000 0.000 0.196 215 D C 1.978 178.231 176.300 -0.079 0.000 0.985 215 D CA 1.080 55.046 54.000 -0.056 0.000 0.826 215 D CB -0.490 40.288 40.800 -0.037 0.000 0.978 215 D HN 0.378 nan 8.370 nan 0.000 0.456 216 L N 1.457 122.613 121.223 -0.112 0.000 2.191 216 L HA -0.130 4.210 4.340 0.000 0.000 0.212 216 L C 2.045 178.822 176.870 -0.155 0.000 1.103 216 L CA 1.635 56.401 54.840 -0.125 0.000 0.769 216 L CB -0.433 41.526 42.059 -0.168 0.000 0.908 216 L HN -0.122 nan 8.230 nan 0.000 0.438 217 K N -0.821 119.453 120.400 -0.210 0.000 2.007 217 K HA -0.236 4.084 4.320 0.000 0.000 0.206 217 K C 2.199 178.736 176.600 -0.106 0.000 1.047 217 K CA 1.536 57.723 56.287 -0.167 0.000 0.937 217 K CB -0.295 32.124 32.500 -0.135 0.000 0.718 217 K HN 0.512 nan 8.250 nan 0.000 0.438 218 Q N 0.589 120.324 119.800 -0.109 0.000 2.152 218 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 218 Q C 1.820 177.695 176.000 -0.208 0.000 0.985 218 Q CA 1.957 57.673 55.803 -0.145 0.000 0.863 218 Q CB -0.017 28.635 28.738 -0.144 0.000 0.904 218 Q HN 0.236 nan 8.270 nan 0.000 0.422 219 V N 1.069 120.905 119.914 -0.131 0.000 2.223 219 V HA -0.305 3.815 4.120 0.000 0.000 0.244 219 V C 2.463 178.583 176.094 0.043 0.000 1.045 219 V CA 1.946 64.230 62.300 -0.025 0.000 1.000 219 V CB -1.445 30.436 31.823 0.096 0.000 0.635 219 V HN 0.583 nan 8.190 nan 0.000 0.445 220 A N 0.669 123.502 122.820 0.022 0.000 1.927 220 A HA -0.331 3.989 4.320 0.000 0.000 0.220 220 A C 2.116 179.716 177.584 0.026 0.000 1.185 220 A CA 2.602 54.658 52.037 0.032 0.000 0.639 220 A CB -0.615 18.381 19.000 -0.007 0.000 0.820 220 A HN 0.848 nan 8.150 nan 0.000 0.451 221 E N -0.871 119.314 120.200 -0.025 0.000 2.004 221 E HA -0.202 4.148 4.350 0.000 0.000 0.194 221 E C 1.866 178.446 176.600 -0.032 0.000 0.981 221 E CA 0.708 57.090 56.400 -0.030 0.000 0.842 221 E CB -0.714 28.955 29.700 -0.052 0.000 0.796 221 E HN 0.560 nan 8.360 nan 0.000 0.477 222 Q N -0.460 119.262 119.800 -0.130 0.000 2.594 222 Q HA -0.055 4.285 4.340 0.000 0.000 0.215 222 Q C 0.225 176.178 176.000 -0.078 0.000 0.962 222 Q CA 0.624 56.327 55.803 -0.166 0.000 1.003 222 Q CB -0.164 28.391 28.738 -0.304 0.000 1.000 222 Q HN 0.472 nan 8.270 nan 0.000 0.571 223 F N -1.912 118.026 119.950 -0.020 0.000 2.411 223 F HA 0.169 4.696 4.527 0.000 0.000 0.286 223 F C 0.370 176.158 175.800 -0.021 0.000 0.858 223 F CA -0.756 57.230 58.000 -0.023 0.000 1.080 223 F CB 0.667 39.649 39.000 -0.029 0.000 0.961 223 F HN -0.093 nan 8.300 nan 0.000 0.742 224 L N 2.279 123.611 121.223 0.181 0.000 2.456 224 L HA 0.075 4.415 4.340 0.000 0.000 0.272 224 L C 0.306 177.213 176.870 0.063 0.000 1.189 224 L CA 0.291 55.183 54.840 0.087 0.000 0.846 224 L CB 0.288 42.383 42.059 0.060 0.000 1.111 224 L HN 0.332 nan 8.230 nan 0.000 0.475 225 N N 1.746 120.470 118.700 0.040 0.000 2.249 225 N HA 0.236 4.976 4.740 0.000 0.000 0.239 225 N C 0.287 175.811 175.510 0.023 0.000 1.185 225 N CA -0.081 52.987 53.050 0.031 0.000 0.825 225 N CB 0.887 39.389 38.487 0.026 0.000 1.372 225 N HN 0.392 nan 8.380 nan 0.000 0.472 226 I N 2.938 123.523 120.570 0.025 0.000 2.662 226 I HA -0.034 4.136 4.170 0.000 0.000 0.285 226 I C 0.607 176.744 176.117 0.033 0.000 1.161 226 I CA 0.799 62.117 61.300 0.029 0.000 1.415 226 I CB 0.278 38.307 38.000 0.047 0.000 1.385 226 I HN -0.009 nan 8.210 nan 0.000 0.552 227 R N 3.359 123.874 120.500 0.025 0.000 3.176 227 R HA 0.482 4.822 4.340 0.000 0.000 0.247 227 R C -0.436 175.875 176.300 0.019 0.000 1.382 227 R CA -0.580 55.534 56.100 0.023 0.000 1.040 227 R CB 1.185 31.497 30.300 0.019 0.000 1.426 227 R HN 0.753 nan 8.270 nan 0.000 0.485 228 S N -0.518 115.192 115.700 0.017 0.000 3.636 228 S HA -0.070 4.400 4.470 0.000 0.000 0.856 228 S C 0.438 175.046 174.600 0.014 0.000 1.279 228 S CA 0.328 58.537 58.200 0.014 0.000 0.705 228 S CB -1.223 61.983 63.200 0.011 0.000 0.548 228 S HN 1.476 nan 8.310 nan 0.000 0.300 229 G N 1.774 110.582 108.800 0.014 0.000 2.782 229 G HA2 0.383 4.343 3.960 0.000 0.000 0.228 229 G HA3 0.383 4.343 3.960 0.000 0.000 0.228 229 G C 0.304 175.215 174.900 0.019 0.000 1.372 229 G CA 0.589 45.698 45.100 0.015 0.000 0.862 229 G HN 2.385 nan 8.290 nan 0.000 0.547 230 A N -0.091 122.742 122.820 0.021 0.000 2.538 230 A HA 0.760 5.080 4.320 0.000 0.000 0.269 230 A C 2.180 179.778 177.584 0.024 0.000 1.231 230 A CA 1.428 53.482 52.037 0.028 0.000 0.948 230 A CB -0.463 18.562 19.000 0.043 0.000 1.110 230 A HN 2.920 nan 8.150 nan 0.000 0.529 231 G N 0.270 109.076 108.800 0.010 0.000 2.530 231 G HA2 -0.287 3.674 3.960 0.000 0.000 0.405 231 G HA3 -0.287 3.674 3.960 0.000 0.000 0.405 231 G C 0.441 175.352 174.900 0.018 0.000 1.363 231 G CA 0.285 45.384 45.100 -0.001 0.000 0.927 231 G HN 0.855 nan 8.290 nan 0.000 0.525 232 T N 0.779 115.337 114.554 0.006 0.000 2.830 232 T HA 0.320 4.670 4.350 0.000 0.000 0.282 232 T C 0.574 175.355 174.700 0.135 0.000 1.024 232 T CA 1.159 63.290 62.100 0.052 0.000 1.144 232 T CB 0.018 68.910 68.868 0.039 0.000 1.035 232 T HN 0.803 nan 8.240 nan 0.000 0.507 233 S N 2.509 118.276 115.700 0.112 0.000 2.472 233 S HA 0.444 4.915 4.470 0.000 0.000 0.303 233 S C 0.276 174.896 174.600 0.033 0.000 1.099 233 S CA -0.767 57.501 58.200 0.112 0.000 1.077 233 S CB 1.696 64.933 63.200 0.061 0.000 1.031 233 S HN 0.773 nan 8.310 nan 0.000 0.487 234 S N 2.479 118.114 115.700 -0.109 0.000 2.560 234 S HA 0.439 4.909 4.470 0.000 0.000 0.284 234 S C 0.448 174.959 174.600 -0.148 0.000 1.327 234 S CA -0.643 57.360 58.200 -0.328 0.000 1.055 234 S CB 0.161 62.935 63.200 -0.709 0.000 0.868 234 S HN 0.859 nan 8.310 nan 0.000 0.506 235 A N 5.585 128.336 122.820 -0.114 0.000 2.407 235 A HA 0.346 4.667 4.320 0.000 0.000 0.248 235 A C 0.498 178.056 177.584 -0.043 0.000 1.082 235 A CA -0.409 51.597 52.037 -0.050 0.000 0.785 235 A CB 0.148 19.132 19.000 -0.027 0.000 1.020 235 A HN 0.835 nan 8.150 nan 0.000 0.489 236 K N 0.593 120.991 120.400 -0.004 0.000 2.494 236 K HA 0.116 4.436 4.320 0.000 0.000 0.273 236 K C 0.452 177.085 176.600 0.054 0.000 0.970 236 K CA 0.692 56.993 56.287 0.024 0.000 0.963 236 K CB 0.299 32.823 32.500 0.041 0.000 0.913 236 K HN 0.752 nan 8.250 nan 0.000 0.502 237 A N 3.474 126.354 122.820 0.099 0.000 2.527 237 A HA 0.192 4.512 4.320 0.000 0.000 0.313 237 A C 0.099 177.830 177.584 0.245 0.000 1.410 237 A CA -0.281 51.879 52.037 0.205 0.000 1.060 237 A CB -0.342 18.825 19.000 0.279 0.000 1.137 237 A HN 0.554 nan 8.150 nan 0.000 0.542 238 T N 1.665 116.343 114.554 0.208 0.000 2.899 238 T HA 0.299 4.649 4.350 0.000 0.000 0.295 238 T C -0.399 174.408 174.700 0.177 0.000 1.033 238 T CA 0.509 62.712 62.100 0.170 0.000 1.084 238 T CB 0.408 69.352 68.868 0.126 0.000 0.979 238 T HN 0.499 nan 8.240 nan 0.000 0.532 239 Y N 0.990 121.287 120.300 -0.004 0.000 2.360 239 Y HA 0.396 4.947 4.550 0.000 0.000 0.337 239 Y C -0.132 175.801 175.900 0.055 0.000 1.039 239 Y CA -0.940 57.086 58.100 -0.124 0.000 1.109 239 Y CB 0.988 39.345 38.460 -0.171 0.000 1.201 239 Y HN 0.837 nan 8.280 nan 0.000 0.458 240 W N 4.571 125.723 121.300 -0.245 0.000 2.846 240 W HA 0.306 4.966 4.660 0.000 0.000 0.273 240 W C 0.921 177.474 176.519 0.056 0.000 1.081 240 W CA 1.217 58.533 57.345 -0.048 0.000 1.692 240 W CB -0.220 29.185 29.460 -0.092 0.000 1.106 240 W HN 0.839 nan 8.180 nan 0.000 0.577 241 G N 1.578 110.162 108.800 -0.360 0.000 2.452 241 G HA2 0.082 4.042 3.960 0.000 0.000 0.275 241 G HA3 0.082 4.042 3.960 0.000 0.000 0.275 241 G C 0.156 174.599 174.900 -0.761 0.000 1.131 241 G CA 0.103 45.060 45.100 -0.239 0.000 1.031 241 G HN 0.710 nan 8.290 nan 0.000 0.511 242 G N -0.924 107.101 108.800 -1.292 0.000 2.521 242 G HA2 0.750 4.710 3.960 0.000 0.000 0.323 242 G HA3 0.750 4.710 3.960 0.000 0.000 0.323 242 G C -0.364 174.104 174.900 -0.720 0.000 1.211 242 G CA 0.041 44.209 45.100 -1.553 0.000 0.979 242 G HN 0.747 nan 8.290 nan 0.000 0.490 243 E N -0.277 119.631 120.200 -0.487 0.000 2.255 243 E HA 0.441 4.791 4.350 0.000 0.000 0.256 243 E C -1.230 175.270 176.600 -0.165 0.000 0.887 243 E CA -0.575 55.670 56.400 -0.258 0.000 0.782 243 E CB 1.234 30.842 29.700 -0.155 0.000 1.214 243 E HN 0.315 nan 8.360 nan 0.000 0.417 244 I N 4.638 125.122 120.570 -0.142 0.000 2.362 244 I HA 0.434 4.604 4.170 0.000 0.000 0.289 244 I C -0.089 175.970 176.117 -0.097 0.000 0.994 244 I CA -0.707 60.552 61.300 -0.069 0.000 1.158 244 I CB 1.457 39.445 38.000 -0.021 0.000 1.315 244 I HN 0.399 nan 8.210 nan 0.000 0.451 245 R N 4.650 125.096 120.500 -0.090 0.000 2.589 245 R HA 0.499 4.839 4.340 0.000 0.000 0.293 245 R C -0.720 175.538 176.300 -0.071 0.000 0.963 245 R CA -0.786 55.240 56.100 -0.123 0.000 0.905 245 R CB 2.242 32.423 30.300 -0.198 0.000 1.144 245 R HN 0.514 nan 8.270 nan 0.000 0.459 246 E N 2.457 122.614 120.200 -0.072 0.000 2.267 246 E HA 0.064 4.414 4.350 0.000 0.000 0.248 246 E C -1.272 175.305 176.600 -0.037 0.000 0.899 246 E CA -0.729 55.645 56.400 -0.042 0.000 0.764 246 E CB 1.196 30.873 29.700 -0.038 0.000 1.227 246 E HN 0.278 nan 8.360 nan 0.000 0.421 247 Q N 3.509 123.296 119.800 -0.021 0.000 2.323 247 Q HA 0.139 4.479 4.340 0.000 0.000 0.257 247 Q C -0.359 175.647 176.000 0.010 0.000 1.022 247 Q CA 0.514 56.313 55.803 -0.007 0.000 0.919 247 Q CB 0.271 29.009 28.738 0.001 0.000 1.220 247 Q HN 0.738 nan 8.270 nan 0.000 0.427 248 N N 2.360 121.073 118.700 0.022 0.000 2.143 248 N HA 0.211 4.951 4.740 0.000 0.000 0.229 248 N C 0.792 176.350 175.510 0.081 0.000 1.294 248 N CA 0.057 53.134 53.050 0.046 0.000 0.883 248 N CB 0.790 39.299 38.487 0.037 0.000 1.148 248 N HN 0.669 nan 8.380 nan 0.000 0.511 249 G N 1.140 109.982 108.800 0.070 0.000 2.299 249 G HA2 -0.325 3.635 3.960 0.000 0.000 0.237 249 G HA3 -0.325 3.635 3.960 0.000 0.000 0.237 249 G C -0.038 174.911 174.900 0.082 0.000 1.027 249 G CA 0.223 45.361 45.100 0.063 0.000 0.619 249 G HN 0.589 nan 8.290 nan 0.000 0.513 250 H N 1.703 120.774 119.070 0.001 0.000 3.173 250 H HA 0.279 4.835 4.556 0.000 0.000 0.311 250 H C 2.147 177.486 175.328 0.018 0.000 0.972 250 H CA 1.320 57.373 56.048 0.008 0.000 1.384 250 H CB 1.027 30.792 29.762 0.004 0.000 1.349 250 H HN 0.447 nan 8.280 nan 0.000 0.582 251 S N 3.650 119.360 115.700 0.017 0.000 2.442 251 S HA -0.059 4.411 4.470 0.000 0.000 0.236 251 S C 0.632 175.289 174.600 0.094 0.000 1.007 251 S CA 0.563 58.783 58.200 0.034 0.000 0.965 251 S CB 0.066 63.264 63.200 -0.003 0.000 0.773 251 S HN 0.407 nan 8.310 nan 0.000 0.504 252 L N 2.283 123.614 121.223 0.180 0.000 2.296 252 L HA 0.548 4.888 4.340 0.000 0.000 0.286 252 L C -0.865 176.158 176.870 0.255 0.000 1.023 252 L CA -0.878 54.093 54.840 0.217 0.000 0.812 252 L CB 1.875 44.095 42.059 0.268 0.000 1.223 252 L HN -0.004 nan 8.230 nan 0.000 0.421 253 V N 2.820 122.847 119.914 0.188 0.000 2.407 253 V HA 0.299 4.419 4.120 0.000 0.000 0.278 253 V C -0.006 176.208 176.094 0.200 0.000 1.037 253 V CA -0.486 61.907 62.300 0.156 0.000 0.900 253 V CB 1.125 32.990 31.823 0.069 0.000 0.983 253 V HN 0.612 nan 8.190 nan 0.000 0.459 254 H N 2.926 121.988 119.070 -0.013 0.000 2.457 254 H HA 0.768 5.324 4.556 0.000 0.000 0.335 254 H C -0.150 175.060 175.328 -0.197 0.000 1.115 254 H CA -0.416 55.619 56.048 -0.022 0.000 1.219 254 H CB 2.162 31.938 29.762 0.022 0.000 1.471 254 H HN 0.771 nan 8.280 nan 0.000 0.491 255 A N 1.794 124.469 122.820 -0.242 0.000 2.486 255 A HA 0.715 5.035 4.320 0.000 0.000 0.300 255 A C -1.382 175.855 177.584 -0.577 0.000 1.048 255 A CA -0.456 51.389 52.037 -0.320 0.000 0.696 255 A CB 1.658 20.580 19.000 -0.130 0.000 1.278 255 A HN 0.731 nan 8.150 nan 0.000 0.405 256 A N 1.388 123.865 122.820 -0.572 0.000 2.414 256 A HA 0.642 4.962 4.320 0.000 0.000 0.286 256 A C -1.273 176.011 177.584 -0.501 0.000 1.073 256 A CA -0.348 51.301 52.037 -0.646 0.000 0.727 256 A CB 1.113 19.649 19.000 -0.773 0.000 1.215 256 A HN 1.336 nan 8.150 nan 0.000 0.430 257 V N 3.701 123.215 119.914 -0.667 0.000 2.384 257 V HA 0.690 4.810 4.120 0.000 0.000 0.287 257 V C 0.206 176.170 176.094 -0.217 0.000 1.020 257 V CA -0.242 61.790 62.300 -0.447 0.000 0.850 257 V CB 1.188 32.742 31.823 -0.448 0.000 0.987 257 V HN 1.256 nan 8.190 nan 0.000 0.436 258 V N 2.308 122.209 119.914 -0.021 0.000 3.156 258 V HA 0.917 5.037 4.120 0.000 0.000 0.310 258 V C -0.466 175.697 176.094 0.115 0.000 1.234 258 V CA -0.474 61.949 62.300 0.206 0.000 1.065 258 V CB 2.437 34.389 31.823 0.216 0.000 1.088 258 V HN 0.698 nan 8.190 nan 0.000 0.451 259 T N 0.047 114.721 114.554 0.201 0.000 2.864 259 T HA 0.440 4.790 4.350 0.000 0.000 0.299 259 T C -0.896 173.902 174.700 0.164 0.000 1.166 259 T CA -0.462 61.691 62.100 0.089 0.000 1.007 259 T CB 1.864 70.671 68.868 -0.101 0.000 1.219 259 T HN 1.079 nan 8.240 nan 0.000 0.506 260 E N 0.564 120.803 120.200 0.066 0.000 2.558 260 E HA 0.331 4.681 4.350 0.000 0.000 0.255 260 E C 0.690 177.286 176.600 -0.006 0.000 0.968 260 E CA 0.319 56.760 56.400 0.069 0.000 0.939 260 E CB 0.132 29.749 29.700 -0.137 0.000 0.921 260 E HN 0.703 nan 8.360 nan 0.000 0.477 261 G N 2.838 111.605 108.800 -0.055 0.000 3.075 261 G HA2 0.640 4.601 3.960 0.000 0.000 0.156 261 G HA3 0.640 4.601 3.960 0.000 0.000 0.156 261 G C -0.775 173.996 174.900 -0.215 0.000 1.403 261 G CA -0.009 44.876 45.100 -0.359 0.000 1.033 261 G HN 0.705 nan 8.290 nan 0.000 0.589 262 A N -1.358 121.323 122.820 -0.232 0.000 2.330 262 A HA 0.839 5.159 4.320 0.000 0.000 0.329 262 A C 0.323 177.924 177.584 0.028 0.000 1.135 262 A CA 0.208 52.252 52.037 0.012 0.000 0.817 262 A CB 1.169 20.267 19.000 0.162 0.000 1.269 262 A HN 1.529 nan 8.150 nan 0.000 0.469 263 A N 0.377 123.239 122.820 0.070 0.000 2.249 263 A HA 0.623 4.943 4.320 0.000 0.000 0.281 263 A C 0.370 177.993 177.584 0.065 0.000 1.127 263 A CA -0.308 51.778 52.037 0.082 0.000 0.833 263 A CB -0.139 18.917 19.000 0.093 0.000 1.140 263 A HN 1.098 nan 8.150 nan 0.000 0.502 264 V N -0.345 119.612 119.914 0.072 0.000 3.264 264 V HA 0.449 4.569 4.120 0.000 0.000 0.304 264 V C 1.856 177.981 176.094 0.052 0.000 1.086 264 V CA 0.966 63.300 62.300 0.057 0.000 1.090 264 V CB 0.535 32.401 31.823 0.072 0.000 1.112 264 V HN 1.893 nan 8.190 nan 0.000 0.472 265 G N 1.871 110.695 108.800 0.039 0.000 2.219 265 G HA2 -0.311 3.650 3.960 0.000 0.000 0.271 265 G HA3 -0.311 3.650 3.960 0.000 0.000 0.271 265 G C 0.548 175.466 174.900 0.029 0.000 0.991 265 G CA 0.863 45.980 45.100 0.029 0.000 0.685 265 G HN 0.987 nan 8.290 nan 0.000 0.531 266 S N -0.714 115.010 115.700 0.039 0.000 2.610 266 S HA 0.715 5.185 4.470 0.000 0.000 0.273 266 S C 1.656 176.276 174.600 0.034 0.000 1.274 266 S CA 0.544 58.769 58.200 0.042 0.000 1.023 266 S CB 1.353 64.589 63.200 0.061 0.000 0.962 266 S HN 1.345 nan 8.310 nan 0.000 0.523 267 A N 2.465 125.300 122.820 0.024 0.000 1.930 267 A HA 0.051 4.371 4.320 0.000 0.000 0.215 267 A C 1.856 179.447 177.584 0.012 0.000 1.176 267 A CA 1.303 53.346 52.037 0.009 0.000 0.632 267 A CB -0.817 18.182 19.000 -0.002 0.000 0.819 267 A HN 0.965 nan 8.150 nan 0.000 0.445 268 E N 0.084 120.302 120.200 0.031 0.000 2.463 268 E HA -0.048 4.302 4.350 0.000 0.000 0.201 268 E C 1.785 178.464 176.600 0.131 0.000 1.045 268 E CA 0.569 56.993 56.400 0.040 0.000 0.872 268 E CB -0.180 29.571 29.700 0.085 0.000 0.797 268 E HN 0.587 nan 8.360 nan 0.000 0.538 269 A N 1.730 124.621 122.820 0.119 0.000 1.825 269 A HA -0.218 4.103 4.320 0.000 0.000 0.214 269 A C 1.908 179.568 177.584 0.127 0.000 1.206 269 A CA 1.422 53.547 52.037 0.147 0.000 0.609 269 A CB -0.700 18.347 19.000 0.079 0.000 0.851 269 A HN 0.307 nan 8.150 nan 0.000 0.445 270 N N 0.644 119.377 118.700 0.056 0.000 2.111 270 N HA -0.289 4.451 4.740 0.000 0.000 0.197 270 N C 1.915 177.439 175.510 0.023 0.000 1.011 270 N CA 1.862 54.932 53.050 0.033 0.000 0.880 270 N CB -0.625 37.860 38.487 -0.004 0.000 1.031 270 N HN 0.523 nan 8.380 nan 0.000 0.444 271 A N 0.850 123.647 122.820 -0.037 0.000 1.892 271 A HA -0.157 4.164 4.320 0.000 0.000 0.218 271 A C 2.172 179.650 177.584 -0.178 0.000 1.188 271 A CA 1.377 53.325 52.037 -0.149 0.000 0.631 271 A CB -1.054 17.778 19.000 -0.280 0.000 0.822 271 A HN 0.260 nan 8.150 nan 0.000 0.447 272 F N 0.568 120.451 119.950 -0.110 0.000 2.113 272 F HA -0.152 4.375 4.527 0.000 0.000 0.297 272 F C 2.885 178.709 175.800 0.040 0.000 1.103 272 F CA 1.499 59.389 58.000 -0.183 0.000 1.248 272 F CB -0.295 38.561 39.000 -0.240 0.000 0.999 272 F HN 0.156 nan 8.300 nan 0.000 0.475 273 S N 0.010 115.868 115.700 0.263 0.000 2.380 273 S HA -0.206 4.264 4.470 0.000 0.000 0.229 273 S C 2.154 176.882 174.600 0.214 0.000 1.043 273 S CA 1.476 59.799 58.200 0.206 0.000 1.038 273 S CB -0.710 62.584 63.200 0.156 0.000 0.872 273 S HN 0.142 nan 8.310 nan 0.000 0.456 274 V N 1.645 121.659 119.914 0.165 0.000 2.323 274 V HA -0.084 4.036 4.120 0.000 0.000 0.244 274 V C 2.189 178.373 176.094 0.150 0.000 1.041 274 V CA 1.490 63.883 62.300 0.155 0.000 1.025 274 V CB -0.674 31.188 31.823 0.065 0.000 0.656 274 V HN 0.419 nan 8.190 nan 0.000 0.451 275 L N 0.116 121.402 121.223 0.106 0.000 2.261 275 L HA -0.194 4.146 4.340 0.000 0.000 0.216 275 L C 2.285 179.312 176.870 0.263 0.000 1.114 275 L CA 1.982 56.899 54.840 0.129 0.000 0.777 275 L CB -0.770 41.305 42.059 0.027 0.000 0.910 275 L HN 0.429 nan 8.230 nan 0.000 0.440 276 Q N -1.236 118.744 119.800 0.301 0.000 1.942 276 Q HA -0.241 4.099 4.340 0.000 0.000 0.203 276 Q C 2.183 178.210 176.000 0.045 0.000 0.987 276 Q CA 1.841 57.755 55.803 0.184 0.000 0.844 276 Q CB -0.288 28.480 28.738 0.052 0.000 0.911 276 Q HN 0.618 nan 8.270 nan 0.000 0.423 277 H N -0.531 118.613 119.070 0.123 0.000 2.426 277 H HA -0.122 4.434 4.556 0.000 0.000 0.298 277 H C 2.212 177.586 175.328 0.076 0.000 1.107 277 H CA 1.534 57.633 56.048 0.086 0.000 1.298 277 H CB -0.075 29.728 29.762 0.068 0.000 1.377 277 H HN 0.171 nan 8.280 nan 0.000 0.519 278 V N 0.966 120.990 119.914 0.183 0.000 2.307 278 V HA -0.217 3.903 4.120 0.000 0.000 0.245 278 V C 2.771 178.927 176.094 0.103 0.000 1.045 278 V CA 1.321 63.694 62.300 0.122 0.000 1.024 278 V CB -0.547 31.333 31.823 0.094 0.000 0.651 278 V HN 0.235 nan 8.190 nan 0.000 0.449 279 L N -0.077 121.212 121.223 0.109 0.000 2.217 279 L HA 0.232 4.572 4.340 0.000 0.000 0.211 279 L C 1.065 177.989 176.870 0.089 0.000 1.107 279 L CA 1.029 55.921 54.840 0.086 0.000 0.783 279 L CB -0.465 41.646 42.059 0.087 0.000 0.919 279 L HN 0.590 nan 8.230 nan 0.000 0.442 280 G N -0.274 108.584 108.800 0.095 0.000 3.355 280 G HA2 0.188 4.148 3.960 0.000 0.000 0.686 280 G HA3 0.188 4.148 3.960 0.000 0.000 0.686 280 G C -0.675 174.269 174.900 0.073 0.000 1.097 280 G CA -0.545 44.620 45.100 0.107 0.000 0.881 280 G HN 0.380 nan 8.290 nan 0.000 0.550 281 A N 1.531 124.383 122.820 0.053 0.000 2.768 281 A HA 1.082 5.402 4.320 0.000 0.000 0.299 281 A C 0.854 178.466 177.584 0.046 0.000 1.171 281 A CA 0.945 52.989 52.037 0.011 0.000 0.759 281 A CB 0.786 19.723 19.000 -0.105 0.000 1.267 281 A HN 2.984 nan 8.150 nan 0.000 0.421 282 G N 3.222 112.061 108.800 0.065 0.000 3.190 282 G HA2 0.076 4.036 3.960 0.000 0.000 0.686 282 G HA3 0.076 4.036 3.960 0.000 0.000 0.686 282 G C -2.258 172.685 174.900 0.073 0.000 1.033 282 G CA -0.402 44.735 45.100 0.061 0.000 0.797 282 G HN 0.831 nan 8.290 nan 0.000 0.567 283 P HA 0.452 nan 4.420 nan 0.000 0.274 283 P C 0.837 178.148 177.300 0.019 0.000 1.231 283 P CA -0.584 62.533 63.100 0.028 0.000 0.790 283 P CB 1.049 32.759 31.700 0.016 0.000 0.951 284 L N 0.601 121.826 121.223 0.003 0.000 2.817 284 L HA 0.381 4.721 4.340 0.000 0.000 0.248 284 L C 0.697 177.562 176.870 -0.010 0.000 1.133 284 L CA 0.117 54.959 54.840 0.003 0.000 0.935 284 L CB 0.147 42.210 42.059 0.006 0.000 1.266 284 L HN 0.264 nan 8.230 nan 0.000 0.535 285 I N 0.911 121.467 120.570 -0.023 0.000 2.447 285 I HA 0.193 4.363 4.170 0.000 0.000 0.287 285 I C 0.149 176.249 176.117 -0.028 0.000 1.023 285 I CA -0.574 60.709 61.300 -0.028 0.000 1.083 285 I CB 2.166 40.142 38.000 -0.040 0.000 1.245 285 I HN -0.020 nan 8.210 nan 0.000 0.434 286 K N 6.750 127.138 120.400 -0.020 0.000 2.491 286 K HA 0.050 4.370 4.320 0.000 0.000 0.279 286 K C 0.517 177.103 176.600 -0.023 0.000 1.026 286 K CA 0.435 56.712 56.287 -0.017 0.000 1.070 286 K CB 0.252 32.744 32.500 -0.012 0.000 0.887 286 K HN 0.596 nan 8.250 nan 0.000 0.481 287 R N 0.709 121.196 120.500 -0.022 0.000 4.000 287 R HA -0.190 4.150 4.340 0.000 0.000 0.348 287 R C 0.454 176.731 176.300 -0.039 0.000 1.204 287 R CA 0.870 56.955 56.100 -0.025 0.000 0.987 287 R CB -2.091 28.197 30.300 -0.019 0.000 1.446 287 R HN 0.844 nan 8.270 nan 0.000 0.555 288 G N 0.014 108.782 108.800 -0.053 0.000 2.477 288 G HA2 0.408 4.368 3.960 0.000 0.000 0.304 288 G HA3 0.408 4.368 3.960 0.000 0.000 0.304 288 G C -0.344 174.468 174.900 -0.146 0.000 1.175 288 G CA 0.020 45.071 45.100 -0.081 0.000 0.907 288 G HN 0.075 nan 8.290 nan 0.000 0.509 289 S N -0.984 114.606 115.700 -0.183 0.000 2.610 289 S HA 0.539 5.009 4.470 0.000 0.000 0.273 289 S C 0.197 174.575 174.600 -0.371 0.000 1.274 289 S CA -0.504 57.496 58.200 -0.334 0.000 1.023 289 S CB 0.936 64.004 63.200 -0.220 0.000 0.962 289 S HN 0.449 nan 8.310 nan 0.000 0.523 290 S N 3.013 118.341 115.700 -0.620 0.000 2.532 290 S HA 0.282 4.752 4.470 0.000 0.000 0.318 290 S C 0.954 175.411 174.600 -0.239 0.000 1.083 290 S CA -0.820 57.158 58.200 -0.371 0.000 1.131 290 S CB 1.198 64.197 63.200 -0.335 0.000 0.973 290 S HN 0.590 nan 8.310 nan 0.000 0.468 291 V N 2.691 122.527 119.914 -0.129 0.000 2.446 291 V HA -0.076 4.044 4.120 0.000 0.000 0.244 291 V C 2.147 178.229 176.094 -0.021 0.000 1.039 291 V CA 1.347 63.609 62.300 -0.063 0.000 1.045 291 V CB -0.954 30.841 31.823 -0.046 0.000 0.681 291 V HN 0.728 nan 8.190 nan 0.000 0.459 292 T N -0.061 114.483 114.554 -0.017 0.000 3.139 292 T HA -0.053 4.297 4.350 0.000 0.000 0.267 292 T C 0.934 175.658 174.700 0.041 0.000 1.164 292 T CA 0.990 63.097 62.100 0.013 0.000 1.075 292 T CB -0.210 68.667 68.868 0.015 0.000 0.904 292 T HN 0.344 nan 8.240 nan 0.000 0.540 293 S N 0.746 116.472 115.700 0.042 0.000 2.520 293 S HA 0.289 4.759 4.470 0.000 0.000 0.324 293 S C 1.189 175.854 174.600 0.108 0.000 1.069 293 S CA -0.909 57.349 58.200 0.096 0.000 1.121 293 S CB 0.456 63.745 63.200 0.148 0.000 0.971 293 S HN 0.203 nan 8.310 nan 0.000 0.463 294 K N 3.041 123.492 120.400 0.085 0.000 2.025 294 K HA -0.088 4.232 4.320 0.000 0.000 0.207 294 K C 1.788 178.433 176.600 0.075 0.000 1.049 294 K CA 0.935 57.262 56.287 0.067 0.000 0.933 294 K CB -0.364 32.163 32.500 0.044 0.000 0.714 294 K HN 0.526 nan 8.250 nan 0.000 0.438 295 L N 0.890 122.155 121.223 0.070 0.000 1.990 295 L HA -0.235 4.105 4.340 0.000 0.000 0.213 295 L C 2.297 179.231 176.870 0.107 0.000 1.072 295 L CA 1.753 56.613 54.840 0.033 0.000 0.755 295 L CB -0.846 41.223 42.059 0.017 0.000 0.889 295 L HN 0.140 nan 8.230 nan 0.000 0.432 296 Y N 0.105 120.446 120.300 0.068 0.000 2.049 296 Y HA -0.292 4.259 4.550 0.000 0.000 0.277 296 Y C 2.732 178.722 175.900 0.150 0.000 1.143 296 Y CA 2.109 60.300 58.100 0.152 0.000 1.115 296 Y CB -0.659 37.861 38.460 0.099 0.000 0.975 296 Y HN 0.294 nan 8.280 nan 0.000 0.487 297 Q N -0.112 119.918 119.800 0.384 0.000 2.173 297 Q HA -0.199 4.141 4.340 0.000 0.000 0.208 297 Q C 2.456 178.541 176.000 0.142 0.000 0.989 297 Q CA 1.587 57.523 55.803 0.221 0.000 0.872 297 Q CB -1.225 27.576 28.738 0.104 0.000 0.909 297 Q HN 0.682 nan 8.270 nan 0.000 0.420 298 G N -0.071 108.781 108.800 0.087 0.000 2.433 298 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 298 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 298 G C 1.596 176.467 174.900 -0.049 0.000 1.186 298 G CA 1.060 46.163 45.100 0.006 0.000 0.779 298 G HN 0.308 nan 8.290 nan 0.000 0.543 299 V N 1.673 121.534 119.914 -0.090 0.000 2.490 299 V HA -0.096 4.024 4.120 0.000 0.000 0.250 299 V C 3.291 179.150 176.094 -0.391 0.000 1.061 299 V CA 1.771 63.882 62.300 -0.316 0.000 1.064 299 V CB -0.875 30.658 31.823 -0.484 0.000 0.670 299 V HN 0.483 nan 8.190 nan 0.000 0.461 300 A N 0.433 123.246 122.820 -0.011 0.000 1.883 300 A HA -0.263 4.057 4.320 0.000 0.000 0.217 300 A C 2.303 179.901 177.584 0.024 0.000 1.186 300 A CA 2.127 54.275 52.037 0.184 0.000 0.624 300 A CB -0.463 18.785 19.000 0.414 0.000 0.822 300 A HN 0.562 nan 8.150 nan 0.000 0.444 301 K N -0.242 120.162 120.400 0.007 0.000 2.147 301 K HA -0.051 4.269 4.320 0.000 0.000 0.205 301 K C 2.275 178.835 176.600 -0.068 0.000 1.049 301 K CA 1.029 57.305 56.287 -0.018 0.000 0.936 301 K CB -0.337 32.156 32.500 -0.011 0.000 0.722 301 K HN 0.465 nan 8.250 nan 0.000 0.446 302 A N 1.037 123.782 122.820 -0.125 0.000 1.841 302 A HA -0.094 4.226 4.320 0.000 0.000 0.214 302 A C 1.724 179.196 177.584 -0.187 0.000 1.195 302 A CA 1.627 53.570 52.037 -0.157 0.000 0.611 302 A CB -0.475 18.405 19.000 -0.200 0.000 0.835 302 A HN 0.312 nan 8.150 nan 0.000 0.443 303 T N -3.133 111.256 114.554 -0.274 0.000 2.923 303 T HA 0.472 4.822 4.350 0.000 0.000 0.281 303 T C 0.890 175.480 174.700 -0.183 0.000 0.995 303 T CA 0.361 62.286 62.100 -0.292 0.000 0.985 303 T CB 1.437 70.082 68.868 -0.373 0.000 1.114 303 T HN 0.220 nan 8.240 nan 0.000 0.548 304 T N 0.836 115.272 114.554 -0.196 0.000 2.987 304 T HA 0.228 4.578 4.350 0.000 0.000 0.248 304 T C 0.395 175.100 174.700 0.008 0.000 0.997 304 T CA -0.189 61.867 62.100 -0.072 0.000 1.013 304 T CB 0.281 69.098 68.868 -0.086 0.000 1.077 304 T HN 0.416 nan 8.240 nan 0.000 0.483 305 Q N 1.584 121.377 119.800 -0.012 0.000 2.249 305 Q HA 0.392 4.732 4.340 0.000 0.000 0.226 305 Q C -2.541 173.591 176.000 0.219 0.000 0.983 305 Q CA -2.410 53.459 55.803 0.109 0.000 0.930 305 Q CB -0.294 28.552 28.738 0.179 0.000 1.193 305 Q HN 0.122 nan 8.270 nan 0.000 0.508 306 P HA 0.061 nan 4.420 nan 0.000 0.267 306 P C -0.863 176.584 177.300 0.244 0.000 1.200 306 P CA 0.387 63.577 63.100 0.151 0.000 0.772 306 P CB 0.290 32.031 31.700 0.069 0.000 0.855 307 F N -1.062 118.874 119.950 -0.024 0.000 3.332 307 F HA 0.698 5.226 4.527 0.000 0.000 0.327 307 F C -2.184 173.525 175.800 -0.152 0.000 1.128 307 F CA -0.985 56.971 58.000 -0.075 0.000 0.854 307 F CB 1.062 40.008 39.000 -0.089 0.000 1.500 307 F HN 0.220 nan 8.300 nan 0.000 0.485 308 D N 0.493 120.776 120.400 -0.196 0.000 2.769 308 D HA 0.688 5.328 4.640 0.000 0.000 0.219 308 D C -1.798 174.471 176.300 -0.050 0.000 1.245 308 D CA 0.115 53.882 54.000 -0.389 0.000 0.801 308 D CB 2.276 42.910 40.800 -0.276 0.000 1.598 308 D HN 1.170 nan 8.370 nan 0.000 0.485 309 A N 1.470 124.209 122.820 -0.135 0.000 2.520 309 A HA 0.841 5.161 4.320 0.000 0.000 0.298 309 A C -1.049 176.545 177.584 0.016 0.000 1.051 309 A CA -0.468 51.585 52.037 0.025 0.000 0.690 309 A CB 1.839 20.872 19.000 0.055 0.000 1.281 309 A HN 0.399 nan 8.150 nan 0.000 0.402 310 S N -0.623 115.133 115.700 0.093 0.000 2.625 310 S HA 0.795 5.265 4.470 0.000 0.000 0.271 310 S C -0.447 174.216 174.600 0.106 0.000 1.161 310 S CA -0.040 58.209 58.200 0.081 0.000 0.820 310 S CB 1.790 65.011 63.200 0.035 0.000 1.137 310 S HN 1.852 nan 8.310 nan 0.000 0.470 311 A N 1.288 124.130 122.820 0.037 0.000 2.276 311 A HA 0.679 4.999 4.320 0.000 0.000 0.300 311 A C -0.939 176.605 177.584 -0.066 0.000 1.235 311 A CA -0.186 51.812 52.037 -0.064 0.000 0.867 311 A CB -0.366 18.581 19.000 -0.087 0.000 1.137 311 A HN 0.595 nan 8.150 nan 0.000 0.527 312 F N 3.257 123.015 119.950 -0.320 0.000 2.408 312 F HA 0.605 5.132 4.527 0.000 0.000 0.344 312 F C -0.148 175.419 175.800 -0.389 0.000 1.112 312 F CA -0.933 56.915 58.000 -0.253 0.000 1.096 312 F CB 1.213 40.129 39.000 -0.141 0.000 1.129 312 F HN 0.594 nan 8.300 nan 0.000 0.486 313 N N 4.774 122.952 118.700 -0.870 0.000 2.542 313 N HA 0.514 5.254 4.740 0.000 0.000 0.288 313 N C -2.315 172.811 175.510 -0.640 0.000 1.115 313 N CA -0.439 52.221 53.050 -0.649 0.000 0.924 313 N CB 1.657 40.046 38.487 -0.162 0.000 1.526 313 N HN 0.300 nan 8.380 nan 0.000 0.515 314 V N 2.694 122.211 119.914 -0.662 0.000 2.540 314 V HA 0.601 4.721 4.120 0.000 0.000 0.302 314 V C -0.700 175.118 176.094 -0.459 0.000 1.035 314 V CA -0.964 61.002 62.300 -0.557 0.000 0.873 314 V CB 1.816 33.274 31.823 -0.608 0.000 0.992 314 V HN 0.637 nan 8.190 nan 0.000 0.428 315 N N 3.525 121.973 118.700 -0.419 0.000 2.479 315 N HA 0.496 5.236 4.740 0.000 0.000 0.261 315 N C -1.345 174.028 175.510 -0.229 0.000 0.979 315 N CA -0.239 52.665 53.050 -0.244 0.000 0.930 315 N CB 1.646 40.075 38.487 -0.096 0.000 1.172 315 N HN 0.667 nan 8.380 nan 0.000 0.499 316 Y N 0.147 120.481 120.300 0.056 0.000 2.446 316 Y HA 0.094 4.644 4.550 0.000 0.000 0.338 316 Y C 2.027 177.966 175.900 0.066 0.000 1.055 316 Y CA -0.849 57.289 58.100 0.065 0.000 1.101 316 Y CB 1.550 40.047 38.460 0.063 0.000 1.221 316 Y HN 0.521 nan 8.280 nan 0.000 0.460 317 S N 0.596 116.449 115.700 0.255 0.000 2.426 317 S HA -0.341 4.129 4.470 0.000 0.000 0.259 317 S C 0.842 175.522 174.600 0.134 0.000 1.096 317 S CA 2.315 60.610 58.200 0.158 0.000 1.219 317 S CB -0.536 62.741 63.200 0.129 0.000 1.124 317 S HN 0.880 nan 8.310 nan 0.000 0.436 318 D N 0.233 120.717 120.400 0.139 0.000 2.772 318 D HA 0.591 5.231 4.640 0.000 0.000 0.272 318 D C 0.065 176.467 176.300 0.170 0.000 1.314 318 D CA 0.139 54.214 54.000 0.125 0.000 0.835 318 D CB 0.235 41.089 40.800 0.090 0.000 1.080 318 D HN 0.409 nan 8.370 nan 0.000 0.482 319 S N -2.060 113.767 115.700 0.211 0.000 2.692 319 S HA 0.584 5.054 4.470 0.000 0.000 0.266 319 S C -1.315 173.448 174.600 0.272 0.000 1.012 319 S CA -0.305 58.048 58.200 0.255 0.000 0.903 319 S CB 0.597 64.021 63.200 0.374 0.000 1.164 319 S HN 0.713 nan 8.310 nan 0.000 0.472 320 G N 0.060 109.008 108.800 0.246 0.000 2.600 320 G HA2 0.664 4.624 3.960 0.000 0.000 0.293 320 G HA3 0.664 4.624 3.960 0.000 0.000 0.293 320 G C -2.332 172.639 174.900 0.118 0.000 1.408 320 G CA -0.554 44.616 45.100 0.116 0.000 0.782 320 G HN 0.849 nan 8.290 nan 0.000 0.482 321 L N -0.143 121.059 121.223 -0.035 0.000 2.455 321 L HA 0.722 5.062 4.340 0.000 0.000 0.264 321 L C -1.613 175.185 176.870 -0.120 0.000 0.968 321 L CA -0.696 54.144 54.840 -0.001 0.000 0.827 321 L CB 2.601 44.706 42.059 0.076 0.000 1.317 321 L HN 0.592 nan 8.230 nan 0.000 0.407 322 F N 1.410 121.276 119.950 -0.139 0.000 2.591 322 F HA 0.851 5.378 4.527 0.000 0.000 0.309 322 F C 0.033 175.946 175.800 0.187 0.000 1.098 322 F CA 0.203 58.122 58.000 -0.134 0.000 0.937 322 F CB 2.279 41.045 39.000 -0.389 0.000 1.250 322 F HN 0.535 nan 8.300 nan 0.000 0.447 323 G N 2.886 111.401 108.800 -0.475 0.000 2.404 323 G HA2 0.332 4.292 3.960 0.000 0.000 0.253 323 G HA3 0.332 4.292 3.960 0.000 0.000 0.253 323 G C -2.001 172.759 174.900 -0.233 0.000 1.253 323 G CA -0.204 44.797 45.100 -0.166 0.000 0.917 323 G HN 1.031 nan 8.290 nan 0.000 0.480 324 F N -1.173 118.729 119.950 -0.080 0.000 2.611 324 F HA 0.896 5.423 4.527 0.000 0.000 0.324 324 F C -0.979 174.846 175.800 0.041 0.000 1.061 324 F CA -1.814 56.161 58.000 -0.040 0.000 0.954 324 F CB 1.960 40.917 39.000 -0.072 0.000 1.301 324 F HN 0.656 nan 8.300 nan 0.000 0.482 325 Y N 0.989 121.343 120.300 0.091 0.000 2.406 325 Y HA 0.588 5.138 4.550 0.000 0.000 0.340 325 Y C -0.995 174.937 175.900 0.053 0.000 0.975 325 Y CA -0.705 57.364 58.100 -0.051 0.000 1.056 325 Y CB 1.986 40.349 38.460 -0.162 0.000 1.210 325 Y HN 0.998 nan 8.280 nan 0.000 0.448 326 T N 5.144 119.925 114.554 0.378 0.000 2.921 326 T HA 0.628 4.978 4.350 0.000 0.000 0.297 326 T C -1.047 173.725 174.700 0.121 0.000 1.013 326 T CA -0.643 61.609 62.100 0.255 0.000 0.990 326 T CB 1.021 70.010 68.868 0.202 0.000 1.023 326 T HN 0.519 nan 8.240 nan 0.000 0.447 327 I N 3.361 123.944 120.570 0.021 0.000 2.412 327 I HA 0.710 4.880 4.170 0.000 0.000 0.296 327 I C 0.177 176.318 176.117 0.039 0.000 0.987 327 I CA -0.595 60.618 61.300 -0.145 0.000 1.180 327 I CB 1.891 39.692 38.000 -0.331 0.000 1.340 327 I HN 1.038 nan 8.210 nan 0.000 0.455 328 S N 3.714 119.456 115.700 0.070 0.000 2.597 328 S HA 0.301 4.772 4.470 0.000 0.000 0.274 328 S C -1.237 173.438 174.600 0.124 0.000 1.132 328 S CA -1.206 57.074 58.200 0.134 0.000 0.835 328 S CB 1.233 64.510 63.200 0.128 0.000 1.092 328 S HN 0.591 nan 8.310 nan 0.000 0.457 329 Q N 1.008 120.894 119.800 0.143 0.000 2.349 329 Q HA 0.339 4.679 4.340 0.000 0.000 0.287 329 Q C 1.722 177.746 176.000 0.040 0.000 1.044 329 Q CA 0.282 56.142 55.803 0.093 0.000 0.918 329 Q CB 0.567 29.368 28.738 0.105 0.000 1.242 329 Q HN 0.919 nan 8.270 nan 0.000 0.405 330 A N 3.269 126.097 122.820 0.014 0.000 1.881 330 A HA -0.313 4.007 4.320 0.000 0.000 0.219 330 A C 2.104 179.652 177.584 -0.060 0.000 1.215 330 A CA 2.350 54.383 52.037 -0.007 0.000 0.648 330 A CB -1.167 17.830 19.000 -0.005 0.000 0.832 330 A HN 0.913 nan 8.150 nan 0.000 0.455 331 A N -2.225 120.499 122.820 -0.161 0.000 2.186 331 A HA -0.147 4.173 4.320 0.000 0.000 0.219 331 A C 1.614 179.034 177.584 -0.273 0.000 1.159 331 A CA 1.651 53.537 52.037 -0.253 0.000 0.680 331 A CB -0.656 18.120 19.000 -0.373 0.000 0.787 331 A HN 0.700 nan 8.150 nan 0.000 0.467 332 H N -1.939 117.137 119.070 0.011 0.000 2.784 332 H HA 0.441 4.997 4.556 0.000 0.000 0.273 332 H C 1.877 177.194 175.328 -0.020 0.000 1.112 332 H CA 0.333 56.376 56.048 -0.008 0.000 1.162 332 H CB -0.146 29.608 29.762 -0.013 0.000 1.586 332 H HN 0.484 nan 8.280 nan 0.000 0.548 333 A N 0.679 123.546 122.820 0.078 0.000 2.067 333 A HA 0.009 4.329 4.320 0.000 0.000 0.219 333 A C 2.561 180.166 177.584 0.037 0.000 1.158 333 A CA 1.249 53.315 52.037 0.049 0.000 0.661 333 A CB -0.665 18.356 19.000 0.034 0.000 0.801 333 A HN 0.411 nan 8.150 nan 0.000 0.452 334 G N 0.939 109.765 108.800 0.043 0.000 2.484 334 G HA2 -0.245 3.715 3.960 0.000 0.000 0.215 334 G HA3 -0.245 3.715 3.960 0.000 0.000 0.215 334 G C 1.378 176.292 174.900 0.023 0.000 1.219 334 G CA 1.024 46.148 45.100 0.039 0.000 0.791 334 G HN 0.752 nan 8.290 nan 0.000 0.550 335 E N 0.188 120.401 120.200 0.021 0.000 2.153 335 E HA -0.094 4.256 4.350 0.000 0.000 0.194 335 E C 2.387 178.941 176.600 -0.076 0.000 0.988 335 E CA 1.249 57.636 56.400 -0.022 0.000 0.811 335 E CB -0.441 29.243 29.700 -0.028 0.000 0.746 335 E HN 0.286 nan 8.360 nan 0.000 0.466 336 V N 1.519 121.383 119.914 -0.083 0.000 2.358 336 V HA -0.207 3.913 4.120 0.000 0.000 0.246 336 V C 2.347 178.370 176.094 -0.118 0.000 1.047 336 V CA 1.490 63.693 62.300 -0.162 0.000 1.035 336 V CB -0.385 31.344 31.823 -0.156 0.000 0.658 336 V HN 0.296 nan 8.190 nan 0.000 0.452 337 I N -0.744 119.810 120.570 -0.026 0.000 2.286 337 I HA -0.152 4.018 4.170 0.000 0.000 0.245 337 I C 2.795 178.899 176.117 -0.022 0.000 1.104 337 I CA 1.011 62.337 61.300 0.043 0.000 1.397 337 I CB -0.433 37.646 38.000 0.132 0.000 1.072 337 I HN 0.229 nan 8.210 nan 0.000 0.417 338 R N 1.231 121.721 120.500 -0.018 0.000 2.097 338 R HA -0.186 4.154 4.340 0.000 0.000 0.236 338 R C 2.412 178.658 176.300 -0.090 0.000 1.135 338 R CA 1.756 57.843 56.100 -0.023 0.000 0.934 338 R CB -1.214 29.077 30.300 -0.015 0.000 0.846 338 R HN 0.369 nan 8.270 nan 0.000 0.431 339 A N 1.636 124.382 122.820 -0.123 0.000 1.896 339 A HA -0.238 4.082 4.320 0.000 0.000 0.220 339 A C 2.483 179.932 177.584 -0.225 0.000 1.206 339 A CA 2.665 54.608 52.037 -0.157 0.000 0.647 339 A CB -0.926 17.962 19.000 -0.187 0.000 0.828 339 A HN 0.457 nan 8.150 nan 0.000 0.455 340 A N -1.676 120.931 122.820 -0.355 0.000 1.978 340 A HA -0.124 4.196 4.320 0.000 0.000 0.220 340 A C 2.218 179.393 177.584 -0.681 0.000 1.170 340 A CA 1.964 53.616 52.037 -0.640 0.000 0.636 340 A CB -0.446 17.897 19.000 -1.096 0.000 0.810 340 A HN 0.505 nan 8.150 nan 0.000 0.448 341 M N -0.246 119.109 119.600 -0.410 0.000 2.073 341 M HA -0.094 4.386 4.480 0.000 0.000 0.259 341 M C 1.807 178.083 176.300 -0.041 0.000 1.079 341 M CA 1.282 56.519 55.300 -0.105 0.000 1.131 341 M CB -1.347 31.296 32.600 0.072 0.000 1.316 341 M HN 0.421 nan 8.290 nan 0.000 0.415 342 N N 0.561 119.233 118.700 -0.047 0.000 2.132 342 N HA -0.209 4.531 4.740 0.000 0.000 0.191 342 N C 1.569 177.062 175.510 -0.029 0.000 1.015 342 N CA 1.188 54.226 53.050 -0.021 0.000 0.864 342 N CB -0.506 37.963 38.487 -0.030 0.000 1.006 342 N HN 0.414 nan 8.380 nan 0.000 0.430 343 Q N 0.157 119.913 119.800 -0.074 0.000 2.437 343 Q HA 0.067 4.407 4.340 0.000 0.000 0.210 343 Q C 1.961 177.935 176.000 -0.042 0.000 0.972 343 Q CA 0.324 56.090 55.803 -0.061 0.000 0.903 343 Q CB 0.104 28.788 28.738 -0.090 0.000 0.967 343 Q HN 0.475 nan 8.270 nan 0.000 0.486 344 L N -0.696 120.506 121.223 -0.035 0.000 2.316 344 L HA -0.030 4.310 4.340 0.000 0.000 0.207 344 L C 2.139 179.061 176.870 0.086 0.000 1.070 344 L CA 0.468 55.315 54.840 0.013 0.000 0.820 344 L CB 0.059 42.113 42.059 -0.009 0.000 0.992 344 L HN 0.034 nan 8.230 nan 0.000 0.466 345 K N 0.209 120.665 120.400 0.094 0.000 2.001 345 K HA -0.082 4.238 4.320 0.000 0.000 0.208 345 K C 2.158 178.791 176.600 0.056 0.000 1.048 345 K CA 1.294 57.638 56.287 0.095 0.000 0.932 345 K CB -0.249 32.300 32.500 0.082 0.000 0.715 345 K HN 0.218 nan 8.250 nan 0.000 0.437 346 A N 1.543 124.383 122.820 0.033 0.000 1.986 346 A HA -0.189 4.131 4.320 0.000 0.000 0.220 346 A C 2.292 179.888 177.584 0.021 0.000 1.171 346 A CA 2.093 54.142 52.037 0.020 0.000 0.640 346 A CB -0.624 18.381 19.000 0.008 0.000 0.811 346 A HN 0.376 nan 8.150 nan 0.000 0.451 347 A N -0.911 121.924 122.820 0.025 0.000 2.021 347 A HA 0.424 4.744 4.320 0.000 0.000 0.216 347 A C 2.257 179.856 177.584 0.024 0.000 1.163 347 A CA 1.319 53.370 52.037 0.023 0.000 0.676 347 A CB -0.569 18.447 19.000 0.027 0.000 0.818 347 A HN 0.990 nan 8.150 nan 0.000 0.453 348 A N -0.612 122.233 122.820 0.042 0.000 2.167 348 A HA 0.034 4.354 4.320 0.000 0.000 0.214 348 A C 1.345 178.944 177.584 0.026 0.000 1.151 348 A CA 0.588 52.650 52.037 0.042 0.000 0.735 348 A CB -0.208 18.843 19.000 0.084 0.000 0.802 348 A HN 0.593 nan 8.150 nan 0.000 0.467 349 Q N -0.688 119.126 119.800 0.023 0.000 2.640 349 Q HA 0.396 4.736 4.340 0.000 0.000 0.389 349 Q C 0.716 176.721 176.000 0.007 0.000 1.012 349 Q CA 0.003 55.815 55.803 0.015 0.000 1.060 349 Q CB 0.110 28.858 28.738 0.018 0.000 1.332 349 Q HN 0.632 nan 8.270 nan 0.000 0.418 350 G N 0.571 109.372 108.800 0.002 0.000 2.180 350 G HA2 -0.321 3.639 3.960 0.000 0.000 0.263 350 G HA3 -0.321 3.639 3.960 0.000 0.000 0.263 350 G C 0.595 175.495 174.900 0.001 0.000 0.989 350 G CA 0.119 45.218 45.100 -0.002 0.000 0.692 350 G HN 0.617 nan 8.290 nan 0.000 0.526 351 G N -0.633 108.170 108.800 0.005 0.000 3.375 351 G HA2 0.451 4.411 3.960 0.000 0.000 0.247 351 G HA3 0.451 4.411 3.960 0.000 0.000 0.247 351 G C 0.068 174.972 174.900 0.007 0.000 1.343 351 G CA 0.532 45.635 45.100 0.006 0.000 1.368 351 G HN 0.985 nan 8.290 nan 0.000 0.549 352 V N 0.580 120.496 119.914 0.003 0.000 2.443 352 V HA 0.274 4.394 4.120 0.000 0.000 0.293 352 V C 0.431 176.525 176.094 0.001 0.000 1.021 352 V CA -0.771 61.532 62.300 0.004 0.000 0.848 352 V CB 1.379 33.202 31.823 -0.000 0.000 0.998 352 V HN 0.196 nan 8.190 nan 0.000 0.424 353 T N 2.835 117.391 114.554 0.004 0.000 2.856 353 T HA 0.044 4.394 4.350 0.000 0.000 0.306 353 T C 1.190 175.889 174.700 -0.001 0.000 1.062 353 T CA 0.122 62.223 62.100 0.001 0.000 1.083 353 T CB 0.974 69.844 68.868 0.003 0.000 0.984 353 T HN 0.877 nan 8.240 nan 0.000 0.542 354 E N 0.631 120.829 120.200 -0.003 0.000 2.418 354 E HA -0.074 4.276 4.350 0.000 0.000 0.197 354 E C 1.884 178.482 176.600 -0.004 0.000 1.026 354 E CA 0.949 57.346 56.400 -0.005 0.000 0.862 354 E CB 0.059 29.755 29.700 -0.007 0.000 0.799 354 E HN 0.739 nan 8.360 nan 0.000 0.518 355 E N -0.122 120.078 120.200 -0.001 0.000 2.140 355 E HA -0.131 4.219 4.350 0.000 0.000 0.191 355 E C 0.919 177.521 176.600 0.004 0.000 0.973 355 E CA 0.847 57.247 56.400 -0.000 0.000 0.829 355 E CB 0.043 29.742 29.700 -0.000 0.000 0.781 355 E HN 0.223 nan 8.360 nan 0.000 0.466 356 D N 0.691 121.096 120.400 0.008 0.000 2.149 356 D HA -0.150 4.490 4.640 0.000 0.000 0.198 356 D C 2.049 178.360 176.300 0.019 0.000 0.990 356 D CA 1.010 55.020 54.000 0.016 0.000 0.839 356 D CB -0.054 40.758 40.800 0.020 0.000 0.948 356 D HN 0.132 nan 8.370 nan 0.000 0.460 357 V N 1.025 120.946 119.914 0.011 0.000 2.515 357 V HA -0.187 3.933 4.120 0.000 0.000 0.250 357 V C 2.430 178.526 176.094 0.004 0.000 1.058 357 V CA 1.694 63.998 62.300 0.008 0.000 1.064 357 V CB -0.667 31.154 31.823 -0.004 0.000 0.675 357 V HN 0.218 nan 8.190 nan 0.000 0.461 358 T N -0.417 114.137 114.554 -0.000 0.000 2.770 358 T HA -0.118 4.232 4.350 0.000 0.000 0.263 358 T C 1.927 176.623 174.700 -0.008 0.000 1.039 358 T CA 1.148 63.244 62.100 -0.006 0.000 1.142 358 T CB -0.130 68.734 68.868 -0.006 0.000 0.868 358 T HN 0.455 nan 8.240 nan 0.000 0.435 359 K N 1.490 121.889 120.400 -0.002 0.000 1.991 359 K HA -0.076 4.244 4.320 0.000 0.000 0.212 359 K C 2.735 179.326 176.600 -0.015 0.000 1.049 359 K CA 1.380 57.663 56.287 -0.005 0.000 0.932 359 K CB -0.529 31.974 32.500 0.005 0.000 0.717 359 K HN 0.273 nan 8.250 nan 0.000 0.441 360 A N 2.234 125.059 122.820 0.009 0.000 1.869 360 A HA -0.285 4.035 4.320 0.000 0.000 0.218 360 A C 1.982 179.531 177.584 -0.058 0.000 1.203 360 A CA 2.232 54.279 52.037 0.017 0.000 0.638 360 A CB -0.676 18.383 19.000 0.099 0.000 0.831 360 A HN 0.296 nan 8.150 nan 0.000 0.450 361 K N -0.468 119.918 120.400 -0.023 0.000 2.242 361 K HA -0.216 4.104 4.320 0.000 0.000 0.206 361 K C 1.637 178.200 176.600 -0.061 0.000 1.045 361 K CA 1.594 57.860 56.287 -0.035 0.000 0.930 361 K CB -0.305 32.183 32.500 -0.020 0.000 0.726 361 K HN 0.569 nan 8.250 nan 0.000 0.462 362 N N 0.791 119.452 118.700 -0.065 0.000 2.197 362 N HA -0.099 4.641 4.740 0.000 0.000 0.184 362 N C 1.757 177.206 175.510 -0.102 0.000 1.030 362 N CA 0.976 53.990 53.050 -0.060 0.000 0.851 362 N CB -0.291 38.173 38.487 -0.040 0.000 1.003 362 N HN 0.283 nan 8.380 nan 0.000 0.430 363 Q N 0.454 120.160 119.800 -0.157 0.000 2.152 363 Q HA -0.136 4.204 4.340 0.000 0.000 0.206 363 Q C 1.917 177.675 176.000 -0.404 0.000 0.985 363 Q CA 1.023 56.681 55.803 -0.241 0.000 0.863 363 Q CB -0.167 28.417 28.738 -0.258 0.000 0.904 363 Q HN 0.177 nan 8.270 nan 0.000 0.422 364 L N 1.181 122.097 121.223 -0.511 0.000 2.044 364 L HA -0.138 4.202 4.340 0.000 0.000 0.205 364 L C 1.812 178.656 176.870 -0.044 0.000 1.075 364 L CA 1.837 56.469 54.840 -0.346 0.000 0.747 364 L CB -0.271 41.700 42.059 -0.146 0.000 0.903 364 L HN -0.010 nan 8.230 nan 0.000 0.435 365 K N -0.615 119.768 120.400 -0.028 0.000 2.147 365 K HA -0.078 4.242 4.320 0.000 0.000 0.205 365 K C 2.016 178.681 176.600 0.108 0.000 1.049 365 K CA 1.155 57.478 56.287 0.059 0.000 0.936 365 K CB -0.305 32.208 32.500 0.021 0.000 0.722 365 K HN 0.449 nan 8.250 nan 0.000 0.446 366 A N 1.122 123.959 122.820 0.029 0.000 1.832 366 A HA -0.149 4.172 4.320 0.000 0.000 0.214 366 A C 2.307 179.911 177.584 0.034 0.000 1.200 366 A CA 1.963 54.014 52.037 0.023 0.000 0.610 366 A CB -1.177 17.816 19.000 -0.011 0.000 0.842 366 A HN 0.193 nan 8.150 nan 0.000 0.444 367 T N -1.195 113.375 114.554 0.025 0.000 2.620 367 T HA -0.279 4.071 4.350 0.000 0.000 0.267 367 T C 1.743 176.487 174.700 0.074 0.000 1.044 367 T CA 2.265 64.399 62.100 0.057 0.000 1.161 367 T CB -0.577 68.352 68.868 0.102 0.000 0.862 367 T HN 0.575 nan 8.240 nan 0.000 0.438 368 Y N 1.474 121.785 120.300 0.018 0.000 2.053 368 Y HA -0.168 4.383 4.550 0.000 0.000 0.277 368 Y C 2.129 178.039 175.900 0.017 0.000 1.159 368 Y CA 1.416 59.530 58.100 0.022 0.000 1.125 368 Y CB -0.707 37.763 38.460 0.016 0.000 0.969 368 Y HN 0.172 nan 8.280 nan 0.000 0.492 369 L N -0.353 120.794 121.223 -0.126 0.000 2.127 369 L HA -0.282 4.058 4.340 0.000 0.000 0.211 369 L C 2.518 179.288 176.870 -0.167 0.000 1.089 369 L CA 1.699 56.423 54.840 -0.192 0.000 0.757 369 L CB -0.419 41.657 42.059 0.028 0.000 0.899 369 L HN 0.424 nan 8.230 nan 0.000 0.434 370 M N -1.516 118.025 119.600 -0.098 0.000 2.156 370 M HA -0.120 4.360 4.480 0.000 0.000 0.264 370 M C 2.147 178.393 176.300 -0.090 0.000 1.067 370 M CA 1.147 56.407 55.300 -0.067 0.000 1.131 370 M CB -0.261 32.322 32.600 -0.029 0.000 1.368 370 M HN 0.042 nan 8.290 nan 0.000 0.416 371 S N 0.351 115.984 115.700 -0.112 0.000 2.571 371 S HA -0.029 4.441 4.470 0.000 0.000 0.245 371 S C 1.226 175.745 174.600 -0.135 0.000 0.976 371 S CA 0.578 58.716 58.200 -0.103 0.000 0.954 371 S CB -0.353 62.796 63.200 -0.085 0.000 0.756 371 S HN 0.277 nan 8.310 nan 0.000 0.535 372 V N 0.092 119.907 119.914 -0.165 0.000 3.166 372 V HA 0.191 4.311 4.120 0.000 0.000 0.332 372 V C 1.187 177.233 176.094 -0.080 0.000 1.434 372 V CA -0.254 61.963 62.300 -0.139 0.000 1.121 372 V CB 0.083 31.775 31.823 -0.219 0.000 1.062 372 V HN 0.326 nan 8.190 nan 0.000 0.489 373 E N 0.506 120.668 120.200 -0.063 0.000 2.158 373 E HA -0.012 4.338 4.350 0.000 0.000 0.191 373 E C 0.646 177.232 176.600 -0.023 0.000 0.982 373 E CA 0.708 57.087 56.400 -0.035 0.000 0.823 373 E CB 0.037 29.721 29.700 -0.028 0.000 0.766 373 E HN 0.501 nan 8.360 nan 0.000 0.468 374 T N 1.167 115.705 114.554 -0.027 0.000 2.916 374 T HA 0.144 4.494 4.350 0.000 0.000 0.303 374 T C 1.180 175.871 174.700 -0.014 0.000 1.025 374 T CA 0.166 62.254 62.100 -0.019 0.000 1.142 374 T CB 1.456 70.307 68.868 -0.027 0.000 0.947 374 T HN 0.146 nan 8.240 nan 0.000 0.544 375 A N 2.555 125.373 122.820 -0.004 0.000 1.908 375 A HA -0.186 4.134 4.320 0.000 0.000 0.218 375 A C 2.286 179.871 177.584 0.001 0.000 1.181 375 A CA 1.800 53.840 52.037 0.005 0.000 0.627 375 A CB -0.703 18.306 19.000 0.015 0.000 0.818 375 A HN 0.925 nan 8.150 nan 0.000 0.445 376 Q N -0.704 119.085 119.800 -0.018 0.000 1.967 376 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 376 Q C 2.178 178.151 176.000 -0.044 0.000 0.985 376 Q CA 1.909 57.679 55.803 -0.054 0.000 0.839 376 Q CB -0.698 27.981 28.738 -0.097 0.000 0.906 376 Q HN 0.518 nan 8.270 nan 0.000 0.423 377 G N 1.524 110.296 108.800 -0.046 0.000 2.503 377 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 377 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 377 G C 1.377 176.267 174.900 -0.017 0.000 1.131 377 G CA 1.124 46.202 45.100 -0.038 0.000 0.756 377 G HN 0.394 nan 8.290 nan 0.000 0.572 378 L N 0.029 121.245 121.223 -0.011 0.000 1.988 378 L HA 0.104 4.444 4.340 0.000 0.000 0.207 378 L C 2.598 179.491 176.870 0.039 0.000 1.071 378 L CA 1.839 56.682 54.840 0.004 0.000 0.744 378 L CB -0.728 41.332 42.059 0.003 0.000 0.893 378 L HN 0.191 nan 8.230 nan 0.000 0.433 379 L N 0.207 121.467 121.223 0.061 0.000 2.079 379 L HA -0.260 4.080 4.340 0.000 0.000 0.210 379 L C 2.283 179.275 176.870 0.203 0.000 1.081 379 L CA 2.228 57.143 54.840 0.125 0.000 0.752 379 L CB -0.886 41.278 42.059 0.174 0.000 0.896 379 L HN 0.608 nan 8.230 nan 0.000 0.433 380 N N -0.576 118.238 118.700 0.190 0.000 2.043 380 N HA -0.280 4.460 4.740 0.000 0.000 0.193 380 N C 1.877 177.477 175.510 0.149 0.000 1.037 380 N CA 1.640 54.840 53.050 0.250 0.000 0.851 380 N CB -0.240 38.307 38.487 0.100 0.000 1.027 380 N HN 0.435 nan 8.380 nan 0.000 0.422 381 E N 0.561 120.810 120.200 0.082 0.000 2.033 381 E HA -0.151 4.199 4.350 0.000 0.000 0.199 381 E C 1.996 178.625 176.600 0.049 0.000 1.011 381 E CA 1.686 58.129 56.400 0.071 0.000 0.815 381 E CB -0.614 29.124 29.700 0.062 0.000 0.755 381 E HN 0.556 nan 8.360 nan 0.000 0.451 382 I N 0.040 120.635 120.570 0.042 0.000 2.118 382 I HA -0.268 3.902 4.170 0.000 0.000 0.241 382 I C 2.419 178.448 176.117 -0.147 0.000 1.070 382 I CA 1.500 62.813 61.300 0.022 0.000 1.327 382 I CB -0.828 37.172 38.000 -0.000 0.000 1.034 382 I HN 0.312 nan 8.210 nan 0.000 0.405 383 G N -0.127 108.435 108.800 -0.395 0.000 2.421 383 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 383 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 383 G C 1.743 176.314 174.900 -0.548 0.000 1.171 383 G CA 0.964 45.479 45.100 -0.975 0.000 0.775 383 G HN 0.358 nan 8.290 nan 0.000 0.543 384 S N 0.562 116.136 115.700 -0.210 0.000 2.372 384 S HA -0.172 4.298 4.470 0.000 0.000 0.227 384 S C 2.180 176.766 174.600 -0.024 0.000 1.044 384 S CA 1.734 59.928 58.200 -0.009 0.000 1.050 384 S CB -0.271 62.971 63.200 0.069 0.000 0.901 384 S HN 0.622 nan 8.310 nan 0.000 0.447 385 E N 1.109 121.287 120.200 -0.036 0.000 2.006 385 E HA -0.063 4.287 4.350 0.000 0.000 0.192 385 E C 2.405 178.988 176.600 -0.028 0.000 0.993 385 E CA 0.920 57.310 56.400 -0.017 0.000 0.808 385 E CB -0.356 29.340 29.700 -0.006 0.000 0.764 385 E HN 0.489 nan 8.360 nan 0.000 0.449 386 A N 0.812 123.597 122.820 -0.059 0.000 2.214 386 A HA -0.203 4.117 4.320 0.000 0.000 0.221 386 A C 1.991 179.545 177.584 -0.050 0.000 1.167 386 A CA 1.211 53.212 52.037 -0.059 0.000 0.670 386 A CB -0.347 18.592 19.000 -0.102 0.000 0.797 386 A HN 0.198 nan 8.150 nan 0.000 0.477 387 L N -1.975 119.219 121.223 -0.047 0.000 2.356 387 L HA 0.341 4.681 4.340 0.000 0.000 0.193 387 L C 1.501 178.389 176.870 0.031 0.000 1.087 387 L CA 0.962 55.803 54.840 0.002 0.000 0.817 387 L CB -0.027 42.051 42.059 0.033 0.000 1.035 387 L HN 0.253 nan 8.230 nan 0.000 0.482 388 L N -0.786 120.460 121.223 0.038 0.000 2.715 388 L HA 0.176 4.516 4.340 0.000 0.000 0.238 388 L C 1.030 177.921 176.870 0.035 0.000 1.212 388 L CA 0.563 55.434 54.840 0.050 0.000 1.017 388 L CB -0.215 41.884 42.059 0.066 0.000 1.269 388 L HN 0.420 nan 8.230 nan 0.000 0.452 389 S N -1.285 114.429 115.700 0.024 0.000 6.019 389 S HA 0.314 4.784 4.470 0.000 0.000 0.113 389 S C 0.901 175.511 174.600 0.016 0.000 1.136 389 S CA 0.659 58.870 58.200 0.018 0.000 1.404 389 S CB 0.308 63.515 63.200 0.011 0.000 2.048 389 S HN 0.253 nan 8.310 nan 0.000 0.602 390 G N 0.985 109.793 108.800 0.012 0.000 2.198 390 G HA2 0.030 3.990 3.960 0.000 0.000 0.156 390 G HA3 0.030 3.990 3.960 0.000 0.000 0.156 390 G C 0.184 175.096 174.900 0.020 0.000 1.012 390 G CA 0.750 45.858 45.100 0.014 0.000 0.692 390 G HN 1.599 nan 8.290 nan 0.000 0.492 391 T N -2.835 111.734 114.554 0.026 0.000 2.778 391 T HA 0.688 5.038 4.350 0.000 0.000 0.293 391 T C -1.229 173.521 174.700 0.083 0.000 1.144 391 T CA -0.452 61.676 62.100 0.046 0.000 1.010 391 T CB 2.524 71.411 68.868 0.031 0.000 1.325 391 T HN 0.641 nan 8.240 nan 0.000 0.515 392 H N 0.546 119.612 119.070 -0.008 0.000 2.860 392 H HA 0.364 4.920 4.556 0.000 0.000 0.312 392 H C -0.973 174.358 175.328 0.005 0.000 0.995 392 H CA -0.333 55.715 56.048 -0.001 0.000 1.311 392 H CB 0.979 30.739 29.762 -0.002 0.000 1.478 392 H HN 0.706 nan 8.280 nan 0.000 0.508 393 T N 4.518 118.877 114.554 -0.326 0.000 2.761 393 T HA 0.227 4.577 4.350 0.000 0.000 0.287 393 T C 0.751 175.245 174.700 -0.343 0.000 0.931 393 T CA 0.072 62.028 62.100 -0.241 0.000 1.164 393 T CB -0.157 68.601 68.868 -0.183 0.000 0.876 393 T HN 0.678 nan 8.240 nan 0.000 0.534 394 A N 7.289 130.053 122.820 -0.094 0.000 2.586 394 A HA 0.177 4.497 4.320 0.000 0.000 0.231 394 A C -0.210 177.369 177.584 -0.008 0.000 1.055 394 A CA -0.963 51.096 52.037 0.037 0.000 0.756 394 A CB 0.009 19.053 19.000 0.074 0.000 0.988 394 A HN 0.557 nan 8.150 nan 0.000 0.509 395 P HA -0.178 nan 4.420 nan 0.000 0.219 395 P C 1.343 178.656 177.300 0.022 0.000 1.146 395 P CA 1.906 65.066 63.100 0.099 0.000 0.808 395 P CB -0.102 31.719 31.700 0.200 0.000 0.779 396 S N -0.916 114.798 115.700 0.023 0.000 2.436 396 S HA -0.040 4.430 4.470 0.000 0.000 0.228 396 S C 2.027 176.610 174.600 -0.029 0.000 1.014 396 S CA 0.783 58.984 58.200 0.002 0.000 0.950 396 S CB -1.517 61.692 63.200 0.014 0.000 0.784 396 S HN -0.016 nan 8.310 nan 0.000 0.504 397 V N 1.402 121.292 119.914 -0.040 0.000 2.379 397 V HA -0.029 4.091 4.120 0.000 0.000 0.245 397 V C 2.554 178.592 176.094 -0.093 0.000 1.044 397 V CA 1.354 63.621 62.300 -0.056 0.000 1.036 397 V CB -0.621 31.171 31.823 -0.052 0.000 0.664 397 V HN 0.506 nan 8.190 nan 0.000 0.453 398 V N 0.279 120.106 119.914 -0.144 0.000 2.626 398 V HA -0.123 3.997 4.120 0.000 0.000 0.252 398 V C 2.437 178.405 176.094 -0.209 0.000 1.067 398 V CA 1.966 64.131 62.300 -0.225 0.000 1.081 398 V CB -0.098 31.476 31.823 -0.414 0.000 0.686 398 V HN 0.477 nan 8.190 nan 0.000 0.468 399 A N -0.755 121.973 122.820 -0.153 0.000 1.898 399 A HA -0.202 4.118 4.320 0.000 0.000 0.214 399 A C 2.221 179.762 177.584 -0.071 0.000 1.183 399 A CA 1.608 53.583 52.037 -0.102 0.000 0.622 399 A CB -0.624 18.345 19.000 -0.053 0.000 0.824 399 A HN 0.655 nan 8.150 nan 0.000 0.444 400 Q N -0.450 119.314 119.800 -0.060 0.000 2.170 400 Q HA -0.201 4.139 4.340 0.000 0.000 0.203 400 Q C 1.539 177.510 176.000 -0.048 0.000 0.976 400 Q CA 1.495 57.272 55.803 -0.044 0.000 0.858 400 Q CB -0.034 28.683 28.738 -0.036 0.000 0.907 400 Q HN 0.409 nan 8.270 nan 0.000 0.433 401 K N 0.590 120.952 120.400 -0.063 0.000 2.155 401 K HA -0.063 4.257 4.320 0.000 0.000 0.203 401 K C 2.067 178.634 176.600 -0.055 0.000 1.052 401 K CA 0.459 56.711 56.287 -0.058 0.000 0.948 401 K CB -0.289 32.169 32.500 -0.070 0.000 0.728 401 K HN 0.334 nan 8.250 nan 0.000 0.448 402 I N 2.922 123.452 120.570 -0.067 0.000 2.162 402 I HA -0.246 3.924 4.170 0.000 0.000 0.238 402 I C 0.955 177.050 176.117 -0.037 0.000 1.076 402 I CA 1.929 63.197 61.300 -0.053 0.000 1.353 402 I CB -0.724 37.235 38.000 -0.069 0.000 1.063 402 I HN 0.136 nan 8.210 nan 0.000 0.408 403 D N 0.290 120.668 120.400 -0.037 0.000 2.350 403 D HA -0.128 4.512 4.640 0.000 0.000 0.216 403 D C 1.512 177.795 176.300 -0.027 0.000 0.968 403 D CA 0.824 54.808 54.000 -0.028 0.000 0.894 403 D CB -0.731 40.053 40.800 -0.025 0.000 0.909 403 D HN 0.366 nan 8.370 nan 0.000 0.520 404 S N 0.119 115.800 115.700 -0.031 0.000 3.122 404 S HA 0.294 4.764 4.470 0.000 0.000 0.249 404 S C -0.053 174.527 174.600 -0.032 0.000 1.334 404 S CA -0.794 57.388 58.200 -0.029 0.000 1.251 404 S CB -0.646 62.536 63.200 -0.029 0.000 1.034 404 S HN 0.044 nan 8.310 nan 0.000 0.478 405 V N 2.660 122.555 119.914 -0.032 0.000 2.409 405 V HA 0.383 4.503 4.120 0.000 0.000 0.290 405 V C 0.783 176.854 176.094 -0.038 0.000 1.017 405 V CA -0.596 61.681 62.300 -0.039 0.000 0.841 405 V CB 1.132 32.931 31.823 -0.040 0.000 1.003 405 V HN 0.768 nan 8.190 nan 0.000 0.426 406 T N 1.253 115.782 114.554 -0.042 0.000 2.791 406 T HA 0.003 4.353 4.350 0.000 0.000 0.323 406 T C 1.487 176.161 174.700 -0.042 0.000 1.082 406 T CA 0.678 62.755 62.100 -0.038 0.000 1.084 406 T CB 1.025 69.869 68.868 -0.039 0.000 0.992 406 T HN 0.700 nan 8.240 nan 0.000 0.547 407 S N 0.427 116.107 115.700 -0.034 0.000 2.515 407 S HA 0.048 4.518 4.470 0.000 0.000 0.231 407 S C 2.051 176.626 174.600 -0.042 0.000 0.987 407 S CA 0.744 58.924 58.200 -0.032 0.000 0.936 407 S CB -1.029 62.158 63.200 -0.023 0.000 0.766 407 S HN 0.895 nan 8.310 nan 0.000 0.528 408 A N 1.725 124.517 122.820 -0.047 0.000 1.861 408 A HA 0.039 4.359 4.320 0.000 0.000 0.212 408 A C 1.891 179.425 177.584 -0.083 0.000 1.199 408 A CA 1.202 53.206 52.037 -0.055 0.000 0.613 408 A CB -0.829 18.143 19.000 -0.046 0.000 0.846 408 A HN 0.535 nan 8.150 nan 0.000 0.446 409 D N 0.166 120.510 120.400 -0.094 0.000 2.170 409 D HA -0.181 4.460 4.640 0.000 0.000 0.193 409 D C 2.060 178.242 176.300 -0.198 0.000 1.004 409 D CA 1.820 55.736 54.000 -0.140 0.000 0.860 409 D CB -0.440 40.283 40.800 -0.127 0.000 0.931 409 D HN 0.213 nan 8.370 nan 0.000 0.448 410 V N 1.044 120.866 119.914 -0.153 0.000 2.223 410 V HA -0.241 3.880 4.120 0.000 0.000 0.244 410 V C 2.790 178.795 176.094 -0.147 0.000 1.045 410 V CA 1.397 63.603 62.300 -0.157 0.000 1.000 410 V CB -0.666 31.109 31.823 -0.080 0.000 0.635 410 V HN 0.048 nan 8.190 nan 0.000 0.445 411 V N 0.787 120.646 119.914 -0.091 0.000 2.380 411 V HA -0.282 3.838 4.120 0.000 0.000 0.251 411 V C 2.303 178.350 176.094 -0.078 0.000 1.063 411 V CA 2.176 64.438 62.300 -0.062 0.000 1.055 411 V CB -1.026 30.774 31.823 -0.039 0.000 0.657 411 V HN 0.565 nan 8.190 nan 0.000 0.455 412 N N 0.580 119.213 118.700 -0.111 0.000 2.084 412 N HA -0.125 4.615 4.740 0.000 0.000 0.190 412 N C 2.008 177.417 175.510 -0.169 0.000 1.030 412 N CA 1.754 54.735 53.050 -0.115 0.000 0.849 412 N CB -0.569 37.843 38.487 -0.125 0.000 1.012 412 N HN 0.494 nan 8.380 nan 0.000 0.423 413 A N 1.450 124.066 122.820 -0.340 0.000 1.859 413 A HA -0.146 4.174 4.320 0.000 0.000 0.217 413 A C 2.433 179.885 177.584 -0.219 0.000 1.198 413 A CA 2.583 54.242 52.037 -0.630 0.000 0.629 413 A CB -1.182 17.149 19.000 -1.114 0.000 0.830 413 A HN 0.345 nan 8.150 nan 0.000 0.446 414 A N -0.485 122.260 122.820 -0.125 0.000 1.927 414 A HA -0.262 4.058 4.320 0.000 0.000 0.220 414 A C 2.117 179.792 177.584 0.152 0.000 1.185 414 A CA 2.189 54.259 52.037 0.054 0.000 0.639 414 A CB -0.560 18.460 19.000 0.033 0.000 0.820 414 A HN 0.607 nan 8.150 nan 0.000 0.451 415 K N -0.636 119.805 120.400 0.069 0.000 1.978 415 K HA -0.206 4.114 4.320 0.000 0.000 0.214 415 K C 2.204 178.874 176.600 0.117 0.000 1.049 415 K CA 1.746 58.082 56.287 0.081 0.000 0.939 415 K CB -0.266 32.248 32.500 0.024 0.000 0.721 415 K HN 0.484 nan 8.250 nan 0.000 0.441 416 K N 0.241 120.697 120.400 0.094 0.000 2.242 416 K HA -0.243 4.077 4.320 0.000 0.000 0.206 416 K C 1.945 178.648 176.600 0.172 0.000 1.045 416 K CA 1.614 57.971 56.287 0.116 0.000 0.930 416 K CB -0.172 32.419 32.500 0.151 0.000 0.726 416 K HN 0.128 nan 8.250 nan 0.000 0.462 417 F N 0.191 120.218 119.950 0.129 0.000 2.149 417 F HA -0.096 4.431 4.527 0.000 0.000 0.294 417 F C 1.636 177.512 175.800 0.127 0.000 1.095 417 F CA 0.940 59.044 58.000 0.174 0.000 1.276 417 F CB -0.044 39.130 39.000 0.289 0.000 1.023 417 F HN -0.211 nan 8.300 nan 0.000 0.480 418 V N 0.529 120.620 119.914 0.295 0.000 2.913 418 V HA -0.205 3.915 4.120 0.000 0.000 0.260 418 V C 2.215 178.314 176.094 0.009 0.000 1.098 418 V CA 1.595 63.991 62.300 0.160 0.000 1.121 418 V CB -1.438 30.505 31.823 0.199 0.000 0.714 418 V HN 0.558 nan 8.190 nan 0.000 0.487 419 S N 0.405 116.100 115.700 -0.008 0.000 2.444 419 S HA 0.225 4.695 4.470 0.000 0.000 0.223 419 S C 1.535 176.080 174.600 -0.092 0.000 1.054 419 S CA 0.436 58.615 58.200 -0.036 0.000 0.947 419 S CB -0.778 62.415 63.200 -0.011 0.000 0.850 419 S HN 0.573 nan 8.310 nan 0.000 0.527 420 G N 1.910 110.640 108.800 -0.117 0.000 2.825 420 G HA2 0.150 4.110 3.960 0.000 0.000 0.241 420 G HA3 0.150 4.110 3.960 0.000 0.000 0.241 420 G C -0.424 174.346 174.900 -0.216 0.000 1.239 420 G CA -0.386 44.608 45.100 -0.176 0.000 0.859 420 G HN 0.586 nan 8.290 nan 0.000 0.598 421 K N 0.472 120.724 120.400 -0.247 0.000 2.349 421 K HA 0.207 4.527 4.320 0.000 0.000 0.288 421 K C -0.042 176.466 176.600 -0.153 0.000 1.058 421 K CA -0.232 55.943 56.287 -0.188 0.000 0.953 421 K CB 0.281 32.680 32.500 -0.169 0.000 0.997 421 K HN 0.279 nan 8.250 nan 0.000 0.477 422 K N 1.449 121.768 120.400 -0.135 0.000 2.118 422 K HA 0.203 4.523 4.320 0.000 0.000 0.267 422 K C -0.780 175.774 176.600 -0.075 0.000 0.991 422 K CA -0.458 55.756 56.287 -0.121 0.000 0.916 422 K CB 1.675 34.058 32.500 -0.195 0.000 1.041 422 K HN 0.618 nan 8.250 nan 0.000 0.455 423 S N 2.054 117.705 115.700 -0.082 0.000 2.532 423 S HA 0.601 5.071 4.470 0.000 0.000 0.299 423 S C -0.707 173.781 174.600 -0.187 0.000 1.105 423 S CA -1.001 57.083 58.200 -0.192 0.000 1.018 423 S CB 1.011 64.038 63.200 -0.287 0.000 1.021 423 S HN 0.629 nan 8.310 nan 0.000 0.483 424 M N 3.160 122.634 119.600 -0.210 0.000 2.465 424 M HA 0.750 5.230 4.480 0.000 0.000 0.316 424 M C -1.657 174.516 176.300 -0.211 0.000 1.121 424 M CA -0.706 54.470 55.300 -0.207 0.000 0.934 424 M CB 2.002 34.496 32.600 -0.176 0.000 1.692 424 M HN 0.967 nan 8.290 nan 0.000 0.444 425 A N 3.510 126.192 122.820 -0.229 0.000 2.343 425 A HA 0.931 5.251 4.320 0.000 0.000 0.308 425 A C -1.421 176.022 177.584 -0.235 0.000 1.092 425 A CA -0.457 51.456 52.037 -0.206 0.000 0.751 425 A CB 1.232 20.120 19.000 -0.186 0.000 1.203 425 A HN 1.046 nan 8.150 nan 0.000 0.452 426 A N 1.695 124.401 122.820 -0.190 0.000 2.455 426 A HA 0.865 5.186 4.320 0.000 0.000 0.300 426 A C -0.442 177.065 177.584 -0.129 0.000 1.040 426 A CA 0.043 51.977 52.037 -0.171 0.000 0.697 426 A CB 1.383 20.282 19.000 -0.169 0.000 1.265 426 A HN 2.105 nan 8.150 nan 0.000 0.407 427 S N 0.892 116.532 115.700 -0.101 0.000 2.677 427 S HA 0.917 5.388 4.470 0.000 0.000 0.283 427 S C -0.093 174.467 174.600 -0.066 0.000 1.159 427 S CA 0.040 58.183 58.200 -0.094 0.000 1.001 427 S CB 1.091 64.213 63.200 -0.130 0.000 1.032 427 S HN 2.641 nan 8.310 nan 0.000 0.487 428 G N 1.402 110.182 108.800 -0.032 0.000 2.368 428 G HA2 0.195 4.155 3.960 0.000 0.000 0.269 428 G HA3 0.195 4.155 3.960 0.000 0.000 0.269 428 G C -1.949 172.971 174.900 0.033 0.000 1.291 428 G CA -0.576 44.542 45.100 0.031 0.000 0.903 428 G HN 0.676 nan 8.290 nan 0.000 0.483 429 D N 1.522 121.954 120.400 0.052 0.000 2.508 429 D HA 0.220 4.860 4.640 0.000 0.000 0.224 429 D C 1.568 177.873 176.300 0.008 0.000 1.171 429 D CA -0.244 53.773 54.000 0.028 0.000 1.006 429 D CB 0.059 40.877 40.800 0.029 0.000 1.073 429 D HN 0.331 nan 8.370 nan 0.000 0.513 430 L N 2.244 123.460 121.223 -0.011 0.000 2.622 430 L HA 0.072 4.412 4.340 0.000 0.000 0.233 430 L C 2.472 179.330 176.870 -0.021 0.000 1.156 430 L CA 0.130 54.947 54.840 -0.038 0.000 0.866 430 L CB -0.233 41.772 42.059 -0.089 0.000 0.980 430 L HN 0.347 nan 8.230 nan 0.000 0.448 431 G N -0.078 108.723 108.800 0.002 0.000 2.562 431 G HA2 -0.261 3.699 3.960 0.000 0.000 0.223 431 G HA3 -0.261 3.699 3.960 0.000 0.000 0.223 431 G C 1.340 176.259 174.900 0.030 0.000 1.102 431 G CA 1.110 46.222 45.100 0.021 0.000 0.742 431 G HN 0.439 nan 8.290 nan 0.000 0.587 432 S N -0.349 115.360 115.700 0.016 0.000 2.754 432 S HA 0.254 4.724 4.470 0.000 0.000 0.247 432 S C 0.133 174.748 174.600 0.025 0.000 1.031 432 S CA -0.395 57.819 58.200 0.024 0.000 1.014 432 S CB 0.959 64.161 63.200 0.004 0.000 0.918 432 S HN 0.223 nan 8.310 nan 0.000 0.519 433 T N 5.153 119.711 114.554 0.007 0.000 2.837 433 T HA 0.416 4.766 4.350 0.000 0.000 0.285 433 T C -2.425 172.275 174.700 -0.000 0.000 0.984 433 T CA -1.260 60.830 62.100 -0.016 0.000 1.049 433 T CB 1.325 70.151 68.868 -0.070 0.000 0.947 433 T HN 0.113 nan 8.240 nan 0.000 0.472 434 P HA 0.394 nan 4.420 nan 0.000 0.279 434 P C -0.952 176.391 177.300 0.071 0.000 1.252 434 P CA -0.601 62.570 63.100 0.118 0.000 0.811 434 P CB 0.649 32.412 31.700 0.105 0.000 1.035 435 F N 0.652 120.601 119.950 -0.002 0.000 2.379 435 F HA 0.122 4.649 4.527 0.000 0.000 0.332 435 F C 1.933 177.723 175.800 -0.016 0.000 1.096 435 F CA -0.485 57.506 58.000 -0.014 0.000 1.105 435 F CB 0.229 39.221 39.000 -0.014 0.000 1.189 435 F HN 0.129 nan 8.300 nan 0.000 0.515 436 L N 2.073 123.371 121.223 0.124 0.000 2.103 436 L HA -0.269 4.071 4.340 0.000 0.000 0.215 436 L C 1.787 178.695 176.870 0.065 0.000 1.080 436 L CA 2.173 57.043 54.840 0.050 0.000 0.764 436 L CB -0.964 41.087 42.059 -0.013 0.000 0.890 436 L HN 0.753 nan 8.230 nan 0.000 0.435 437 D N -2.115 118.341 120.400 0.092 0.000 2.336 437 D HA -0.105 4.535 4.640 0.000 0.000 0.229 437 D C 1.129 177.460 176.300 0.052 0.000 1.061 437 D CA 0.570 54.600 54.000 0.051 0.000 0.875 437 D CB -0.305 40.512 40.800 0.027 0.000 0.904 437 D HN 0.557 nan 8.370 nan 0.000 0.525 438 E N -0.028 120.223 120.200 0.086 0.000 2.501 438 E HA 0.228 4.578 4.350 0.000 0.000 0.200 438 E C 0.278 176.921 176.600 0.072 0.000 1.016 438 E CA -0.180 56.264 56.400 0.074 0.000 0.921 438 E CB 0.743 30.505 29.700 0.103 0.000 1.034 438 E HN 0.369 nan 8.360 nan 0.000 0.468 439 L N 0.000 121.267 121.223 0.073 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.890 54.840 0.083 0.000 0.813 439 L CB 0.000 42.129 42.059 0.116 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502