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 1ya4_1_C DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.629 174.600 0.048 0.000 1.055 21 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 21 S CB 0.000 63.096 63.200 -0.174 0.000 0.593 22 S N 2.385 118.153 115.700 0.114 0.000 2.594 22 S HA 0.742 5.213 4.470 0.002 0.000 0.296 22 S C -3.155 171.614 174.600 0.282 0.000 1.124 22 S CA -1.156 57.142 58.200 0.164 0.000 1.011 22 S CB 0.912 64.183 63.200 0.119 0.000 1.016 22 S HN 0.437 nan 8.310 nan 0.000 0.485 23 P HA 0.080 nan 4.420 nan 0.000 0.261 23 P C -2.591 174.732 177.300 0.037 0.000 1.158 23 P CA -0.311 62.828 63.100 0.065 0.000 0.758 23 P CB -0.235 31.477 31.700 0.020 0.000 0.763 24 P HA 0.138 nan 4.420 nan 0.000 0.279 24 P C -0.860 176.483 177.300 0.072 0.000 1.239 24 P CA 0.134 63.160 63.100 -0.123 0.000 0.789 24 P CB 0.679 32.087 31.700 -0.487 0.000 0.933 25 V N 4.279 124.277 119.914 0.139 0.000 2.380 25 V HA 0.138 4.259 4.120 0.002 0.000 0.268 25 V C 0.216 176.375 176.094 0.109 0.000 1.008 25 V CA -0.579 61.819 62.300 0.163 0.000 0.823 25 V CB 1.376 33.271 31.823 0.120 0.000 1.053 25 V HN 0.264 nan 8.190 nan 0.000 0.446 26 V N 2.118 122.080 119.914 0.079 0.000 2.953 26 V HA 0.338 4.459 4.120 0.002 0.000 0.304 26 V C 0.168 176.194 176.094 -0.114 0.000 1.073 26 V CA -0.208 61.975 62.300 -0.195 0.000 1.064 26 V CB 1.780 33.136 31.823 -0.777 0.000 1.047 26 V HN 0.748 nan 8.190 nan 0.000 0.478 27 D N 1.717 122.015 120.400 -0.170 0.000 2.453 27 D HA 0.365 5.006 4.640 0.002 0.000 0.238 27 D C 0.039 176.269 176.300 -0.117 0.000 1.088 27 D CA -0.138 53.816 54.000 -0.076 0.000 0.854 27 D CB 1.616 42.376 40.800 -0.066 0.000 1.076 27 D HN 0.801 nan 8.370 nan 0.000 0.533 28 T N -0.803 113.742 114.554 -0.015 0.000 2.880 28 T HA 0.279 4.630 4.350 0.002 0.000 0.279 28 T C 1.671 176.280 174.700 -0.151 0.000 0.990 28 T CA -0.592 61.491 62.100 -0.029 0.000 0.938 28 T CB 0.868 69.889 68.868 0.256 0.000 1.206 28 T HN 0.006 nan 8.240 nan 0.000 0.573 29 V N 1.031 120.787 119.914 -0.264 0.000 2.343 29 V HA -0.125 3.996 4.120 0.002 0.000 0.247 29 V C 2.317 178.127 176.094 -0.474 0.000 1.051 29 V CA 1.599 63.662 62.300 -0.395 0.000 1.036 29 V CB -1.103 30.390 31.823 -0.550 0.000 0.654 29 V HN 0.850 nan 8.190 nan 0.000 0.451 30 H N 0.039 118.890 119.070 -0.365 0.000 2.533 30 H HA 0.462 5.019 4.556 0.002 0.000 0.271 30 H C 1.001 175.494 175.328 -1.392 0.000 1.000 30 H CA 0.920 56.520 56.048 -0.746 0.000 1.149 30 H CB 0.103 29.407 29.762 -0.764 0.000 1.375 30 H HN 0.532 nan 8.280 nan 0.000 0.582 31 G N 0.451 108.780 108.800 -0.786 0.000 2.353 31 G HA2 -0.089 3.872 3.960 0.002 0.000 0.424 31 G HA3 -0.089 3.872 3.960 0.002 0.000 0.424 31 G C -1.214 173.779 174.900 0.156 0.000 1.320 31 G CA -1.177 43.563 45.100 -0.601 0.000 0.995 31 G HN 0.078 nan 8.290 nan 0.000 0.580 32 K N -0.594 120.042 120.400 0.395 0.000 2.270 32 K HA 0.545 4.866 4.320 0.002 0.000 0.276 32 K C -0.206 176.740 176.600 0.578 0.000 1.023 32 K CA -0.379 56.153 56.287 0.408 0.000 0.955 32 K CB 1.661 34.322 32.500 0.268 0.000 0.975 32 K HN 0.379 nan 8.250 nan 0.000 0.471 33 V N 4.141 124.293 119.914 0.395 0.000 2.588 33 V HA 0.252 4.373 4.120 0.002 0.000 0.304 33 V C -0.776 175.524 176.094 0.344 0.000 1.042 33 V CA -1.020 61.484 62.300 0.340 0.000 0.877 33 V CB 1.776 33.835 31.823 0.393 0.000 0.996 33 V HN 0.564 nan 8.190 nan 0.000 0.425 34 L N 4.477 125.859 121.223 0.265 0.000 2.307 34 L HA 0.878 5.219 4.340 0.002 0.000 0.284 34 L C 0.314 177.251 176.870 0.112 0.000 1.023 34 L CA 0.527 55.484 54.840 0.195 0.000 0.810 34 L CB 1.055 43.165 42.059 0.086 0.000 1.231 34 L HN 0.763 nan 8.230 nan 0.000 0.423 35 G N 4.742 113.447 108.800 -0.157 0.000 3.122 35 G HA2 0.615 4.577 3.960 0.002 0.000 0.180 35 G HA3 0.615 4.577 3.960 0.002 0.000 0.180 35 G C -1.261 173.337 174.900 -0.504 0.000 1.279 35 G CA -0.523 44.186 45.100 -0.651 0.000 0.987 35 G HN 0.722 nan 8.290 nan 0.000 0.589 36 K N -0.918 119.121 120.400 -0.602 0.000 2.535 36 K HA 0.524 4.846 4.320 0.002 0.000 0.251 36 K C -1.798 174.601 176.600 -0.335 0.000 0.942 36 K CA -0.747 55.330 56.287 -0.351 0.000 0.798 36 K CB 1.803 34.178 32.500 -0.208 0.000 1.267 36 K HN 0.252 nan 8.250 nan 0.000 0.434 37 F N 1.994 121.876 119.950 -0.112 0.000 2.427 37 F HA 0.330 4.859 4.527 0.003 0.000 0.352 37 F C -0.113 175.672 175.800 -0.025 0.000 1.100 37 F CA -0.265 57.702 58.000 -0.056 0.000 1.191 37 F CB 1.567 40.554 39.000 -0.021 0.000 1.128 37 F HN 0.159 nan 8.300 nan 0.000 0.533 38 V N 2.935 122.986 119.914 0.229 0.000 2.686 38 V HA 0.320 4.441 4.120 0.002 0.000 0.306 38 V C -0.548 175.638 176.094 0.153 0.000 1.065 38 V CA -0.816 61.574 62.300 0.151 0.000 0.894 38 V CB 1.990 33.880 31.823 0.112 0.000 1.004 38 V HN 0.703 nan 8.190 nan 0.000 0.424 39 S N 3.912 119.686 115.700 0.123 0.000 2.525 39 S HA 0.743 5.214 4.470 0.002 0.000 0.290 39 S C -0.602 174.069 174.600 0.119 0.000 1.152 39 S CA -0.371 57.899 58.200 0.117 0.000 1.072 39 S CB 1.492 64.752 63.200 0.100 0.000 1.027 39 S HN 0.555 nan 8.310 nan 0.000 0.500 40 L N 2.598 123.901 121.223 0.133 0.000 2.331 40 L HA 0.564 4.905 4.340 0.002 0.000 0.275 40 L C 0.001 177.035 176.870 0.274 0.000 1.022 40 L CA -0.652 54.281 54.840 0.155 0.000 0.812 40 L CB 1.177 43.248 42.059 0.022 0.000 1.257 40 L HN 0.597 nan 8.230 nan 0.000 0.435 41 E N 2.907 123.263 120.200 0.261 0.000 2.820 41 E HA 0.252 4.603 4.350 0.002 0.000 0.251 41 E C 0.926 177.691 176.600 0.274 0.000 0.944 41 E CA 1.310 57.854 56.400 0.240 0.000 0.955 41 E CB -0.192 29.648 29.700 0.232 0.000 0.904 41 E HN 0.886 nan 8.360 nan 0.000 0.513 42 G N 3.973 112.851 108.800 0.130 0.000 2.249 42 G HA2 -0.283 3.678 3.960 0.002 0.000 0.273 42 G HA3 -0.283 3.678 3.960 0.002 0.000 0.273 42 G C -0.265 174.503 174.900 -0.220 0.000 1.036 42 G CA 0.326 45.407 45.100 -0.031 0.000 0.824 42 G HN 0.362 nan 8.290 nan 0.000 0.504 43 F N -0.582 119.363 119.950 -0.010 0.000 2.539 43 F HA 0.638 5.166 4.527 0.002 0.000 0.328 43 F C 1.156 176.951 175.800 -0.007 0.000 1.148 43 F CA -0.144 57.842 58.000 -0.023 0.000 0.940 43 F CB 1.466 40.452 39.000 -0.023 0.000 1.194 43 F HN 0.138 nan 8.300 nan 0.000 0.438 44 A N 2.232 125.115 122.820 0.104 0.000 1.834 44 A HA -0.180 4.141 4.320 0.002 0.000 0.216 44 A C 1.118 178.752 177.584 0.083 0.000 1.203 44 A CA 1.120 53.196 52.037 0.064 0.000 0.621 44 A CB -0.660 18.354 19.000 0.023 0.000 0.841 44 A HN 0.661 nan 8.150 nan 0.000 0.446 45 Q N 1.559 121.423 119.800 0.108 0.000 2.239 45 Q HA 0.194 4.535 4.340 0.002 0.000 0.286 45 Q C -2.305 173.765 176.000 0.117 0.000 1.102 45 Q CA -1.655 54.205 55.803 0.094 0.000 0.936 45 Q CB 0.278 29.086 28.738 0.116 0.000 1.127 45 Q HN 0.426 nan 8.270 nan 0.000 0.380 46 P HA 0.073 nan 4.420 nan 0.000 0.277 46 P C -0.980 176.496 177.300 0.293 0.000 1.240 46 P CA -0.331 62.860 63.100 0.152 0.000 0.798 46 P CB 0.955 32.679 31.700 0.041 0.000 0.979 47 V N 1.890 121.961 119.914 0.261 0.000 2.465 47 V HA 0.403 4.524 4.120 0.002 0.000 0.279 47 V C 0.832 177.052 176.094 0.211 0.000 1.045 47 V CA -0.671 61.769 62.300 0.233 0.000 0.938 47 V CB 0.799 32.720 31.823 0.163 0.000 0.986 47 V HN 0.739 nan 8.190 nan 0.000 0.467 48 A N 6.673 129.572 122.820 0.133 0.000 2.362 48 A HA 0.714 5.035 4.320 0.002 0.000 0.276 48 A C -0.389 177.116 177.584 -0.131 0.000 1.153 48 A CA -0.158 51.770 52.037 -0.181 0.000 0.813 48 A CB -0.091 18.888 19.000 -0.035 0.000 1.081 48 A HN 0.777 nan 8.150 nan 0.000 0.507 49 I N 2.630 122.935 120.570 -0.441 0.000 2.447 49 I HA 0.367 4.538 4.170 0.002 0.000 0.287 49 I C -1.406 174.318 176.117 -0.656 0.000 1.023 49 I CA -0.218 60.835 61.300 -0.411 0.000 1.083 49 I CB 1.587 39.422 38.000 -0.275 0.000 1.245 49 I HN 0.547 nan 8.210 nan 0.000 0.434 50 F N 6.757 126.555 119.950 -0.254 0.000 2.427 50 F HA 0.514 5.042 4.527 0.002 0.000 0.348 50 F C -0.280 175.367 175.800 -0.254 0.000 1.125 50 F CA -0.612 57.282 58.000 -0.178 0.000 0.989 50 F CB 1.237 40.217 39.000 -0.032 0.000 1.165 50 F HN 0.102 nan 8.300 nan 0.000 0.442 51 L N 3.103 124.240 121.223 -0.144 0.000 2.287 51 L HA 0.673 5.015 4.340 0.002 0.000 0.287 51 L C 0.637 177.419 176.870 -0.146 0.000 1.022 51 L CA -0.787 53.927 54.840 -0.210 0.000 0.814 51 L CB 1.447 43.232 42.059 -0.457 0.000 1.217 51 L HN 0.924 nan 8.230 nan 0.000 0.420 52 G N 3.833 112.585 108.800 -0.081 0.000 2.255 52 G HA2 -0.198 3.763 3.960 0.002 0.000 0.239 52 G HA3 -0.198 3.763 3.960 0.002 0.000 0.239 52 G C -0.288 174.655 174.900 0.072 0.000 1.083 52 G CA -0.637 44.409 45.100 -0.090 0.000 0.826 52 G HN 0.498 nan 8.290 nan 0.000 0.493 53 I N 2.108 122.723 120.570 0.075 0.000 2.371 53 I HA 0.267 4.438 4.170 0.002 0.000 0.290 53 I C -1.475 174.660 176.117 0.031 0.000 1.028 53 I CA -2.189 59.121 61.300 0.018 0.000 1.345 53 I CB 1.380 39.305 38.000 -0.124 0.000 1.407 53 I HN 0.016 nan 8.210 nan 0.000 0.501 54 P HA 0.076 nan 4.420 nan 0.000 0.281 54 P C -0.235 176.934 177.300 -0.218 0.000 1.252 54 P CA -0.126 62.799 63.100 -0.290 0.000 0.778 54 P CB 0.661 32.205 31.700 -0.259 0.000 0.895 55 F N 1.505 121.215 119.950 -0.400 0.000 2.678 55 F HA 0.730 5.258 4.527 0.002 0.000 0.305 55 F C 0.106 175.863 175.800 -0.072 0.000 1.090 55 F CA -0.708 57.078 58.000 -0.356 0.000 1.272 55 F CB 0.219 38.959 39.000 -0.433 0.000 1.060 55 F HN 0.390 nan 8.300 nan 0.000 0.576 56 A N 0.535 123.074 122.820 -0.469 0.000 2.581 56 A HA 0.500 4.821 4.320 0.002 0.000 0.290 56 A C -1.376 175.997 177.584 -0.351 0.000 1.119 56 A CA -1.143 50.693 52.037 -0.334 0.000 0.670 56 A CB 0.766 19.517 19.000 -0.416 0.000 1.280 56 A HN 0.175 nan 8.150 nan 0.000 0.425 57 K N 0.655 120.917 120.400 -0.229 0.000 2.249 57 K HA 0.459 4.780 4.320 0.002 0.000 0.280 57 K C -2.480 173.982 176.600 -0.230 0.000 1.033 57 K CA -1.580 54.591 56.287 -0.194 0.000 0.946 57 K CB 0.425 32.852 32.500 -0.121 0.000 1.005 57 K HN 0.328 nan 8.250 nan 0.000 0.469 58 P HA -0.058 nan 4.420 nan 0.000 0.261 58 P C -2.383 174.817 177.300 -0.167 0.000 1.173 58 P CA -0.712 62.265 63.100 -0.205 0.000 0.760 58 P CB 0.246 31.861 31.700 -0.140 0.000 0.783 59 P HA 0.079 nan 4.420 nan 0.000 0.226 59 P C -0.447 176.762 177.300 -0.151 0.000 1.758 59 P CA 0.300 63.305 63.100 -0.158 0.000 0.896 59 P CB 0.040 31.646 31.700 -0.157 0.000 1.784 60 L N -0.814 120.333 121.223 -0.127 0.000 2.454 60 L HA 0.525 4.866 4.340 0.002 0.000 0.256 60 L C 1.741 178.550 176.870 -0.103 0.000 1.136 60 L CA -0.042 54.732 54.840 -0.109 0.000 0.804 60 L CB -0.261 41.745 42.059 -0.087 0.000 1.181 60 L HN 0.234 nan 8.230 nan 0.000 0.469 61 G N 1.150 109.895 108.800 -0.090 0.000 2.651 61 G HA2 -0.291 3.670 3.960 0.002 0.000 0.315 61 G HA3 -0.291 3.670 3.960 0.002 0.000 0.315 61 G C -1.297 173.548 174.900 -0.090 0.000 1.258 61 G CA 0.315 45.367 45.100 -0.078 0.000 1.002 61 G HN 0.649 nan 8.290 nan 0.000 0.551 62 P HA 0.050 nan 4.420 nan 0.000 0.226 62 P C 1.965 179.217 177.300 -0.081 0.000 1.153 62 P CA 1.197 64.267 63.100 -0.050 0.000 0.777 62 P CB -0.063 31.625 31.700 -0.020 0.000 0.794 63 L N -0.952 120.207 121.223 -0.107 0.000 2.552 63 L HA 0.058 4.399 4.340 0.002 0.000 0.227 63 L C 1.786 178.522 176.870 -0.223 0.000 1.146 63 L CA -0.051 54.707 54.840 -0.137 0.000 0.858 63 L CB -0.431 41.557 42.059 -0.119 0.000 0.969 63 L HN -0.042 nan 8.230 nan 0.000 0.451 64 R N 0.422 120.760 120.500 -0.270 0.000 2.590 64 R HA -0.026 4.316 4.340 0.002 0.000 0.274 64 R C -0.142 175.834 176.300 -0.540 0.000 1.061 64 R CA -0.181 55.626 56.100 -0.489 0.000 1.081 64 R CB 0.267 30.203 30.300 -0.608 0.000 0.984 64 R HN 0.048 nan 8.270 nan 0.000 0.448 65 F N -0.088 119.485 119.950 -0.629 0.000 3.074 65 F HA -0.271 4.258 4.527 0.002 0.000 0.289 65 F C 0.198 175.052 175.800 -1.577 0.000 0.863 65 F CA 1.516 58.776 58.000 -1.232 0.000 1.121 65 F CB -2.459 36.224 39.000 -0.529 0.000 1.169 65 F HN 0.666 nan 8.300 nan 0.000 0.570 66 T N -3.275 110.664 114.554 -1.026 0.000 2.883 66 T HA 0.794 5.146 4.350 0.002 0.000 0.296 66 T C -2.984 171.593 174.700 -0.206 0.000 1.117 66 T CA -2.338 59.414 62.100 -0.580 0.000 1.006 66 T CB 3.352 72.090 68.868 -0.217 0.000 1.191 66 T HN -0.241 nan 8.240 nan 0.000 0.508 67 P HA 0.274 nan 4.420 nan 0.000 0.270 67 P C -2.438 174.922 177.300 0.099 0.000 1.223 67 P CA -0.996 62.247 63.100 0.238 0.000 0.785 67 P CB -0.219 31.618 31.700 0.228 0.000 0.923 68 P HA 0.168 nan 4.420 nan 0.000 0.275 68 P C -0.795 176.533 177.300 0.046 0.000 1.227 68 P CA -0.007 63.120 63.100 0.045 0.000 0.781 68 P CB 0.788 32.535 31.700 0.077 0.000 0.906 69 Q N 2.755 122.554 119.800 -0.000 0.000 2.241 69 Q HA 0.479 4.821 4.340 0.002 0.000 0.262 69 Q C -2.281 173.725 176.000 0.010 0.000 1.014 69 Q CA -2.024 53.787 55.803 0.013 0.000 0.885 69 Q CB 0.762 29.495 28.738 -0.009 0.000 1.311 69 Q HN 0.336 nan 8.270 nan 0.000 0.461 70 P HA 0.001 nan 4.420 nan 0.000 0.265 70 P C -1.442 175.820 177.300 -0.063 0.000 1.193 70 P CA 0.177 63.312 63.100 0.058 0.000 0.765 70 P CB 0.588 32.347 31.700 0.099 0.000 0.823 71 A N 3.172 125.902 122.820 -0.149 0.000 2.407 71 A HA 0.145 4.466 4.320 0.002 0.000 0.248 71 A C 0.398 177.758 177.584 -0.374 0.000 1.082 71 A CA -0.278 51.612 52.037 -0.245 0.000 0.785 71 A CB -0.076 18.823 19.000 -0.169 0.000 1.020 71 A HN 0.434 nan 8.150 nan 0.000 0.489 72 E N 2.540 122.642 120.200 -0.163 0.000 2.376 72 E HA 0.199 4.550 4.350 0.002 0.000 0.266 72 E C -2.141 174.417 176.600 -0.070 0.000 1.009 72 E CA -1.549 54.791 56.400 -0.099 0.000 0.902 72 E CB 0.210 29.903 29.700 -0.012 0.000 0.972 72 E HN 0.447 nan 8.360 nan 0.000 0.439 73 P HA 0.083 nan 4.420 nan 0.000 0.276 73 P C -0.661 176.621 177.300 -0.030 0.000 1.235 73 P CA -0.351 62.652 63.100 -0.162 0.000 0.772 73 P CB 0.192 31.834 31.700 -0.096 0.000 0.871 74 W N 1.936 123.262 121.300 0.043 0.000 2.332 74 W HA 0.561 5.222 4.660 0.001 0.000 0.351 74 W C 0.784 177.270 176.519 -0.054 0.000 1.195 74 W CA -0.635 56.715 57.345 0.008 0.000 1.334 74 W CB -0.535 28.954 29.460 0.049 0.000 1.206 74 W HN 0.160 nan 8.180 nan 0.000 0.637 75 S N 0.156 115.917 115.700 0.102 0.000 2.404 75 S HA 0.111 4.582 4.470 0.002 0.000 0.223 75 S C 0.744 175.082 174.600 -0.437 0.000 1.040 75 S CA 0.476 58.506 58.200 -0.284 0.000 0.957 75 S CB -0.235 62.630 63.200 -0.560 0.000 0.826 75 S HN 0.464 nan 8.310 nan 0.000 0.491 76 F N 0.268 120.363 119.950 0.242 0.000 2.562 76 F HA 0.458 4.986 4.527 0.002 0.000 0.166 76 F C 0.025 175.980 175.800 0.258 0.000 1.393 76 F CA -0.713 57.401 58.000 0.190 0.000 1.127 76 F CB -0.112 38.960 39.000 0.119 0.000 1.844 76 F HN -0.284 nan 8.300 nan 0.000 0.372 77 V N 1.270 121.437 119.914 0.422 0.000 2.350 77 V HA 0.252 4.373 4.120 0.002 0.000 0.285 77 V C -0.429 175.748 176.094 0.138 0.000 1.014 77 V CA -1.068 61.400 62.300 0.281 0.000 0.831 77 V CB 1.075 33.022 31.823 0.206 0.000 1.000 77 V HN 0.312 nan 8.190 nan 0.000 0.433 78 K N 3.863 124.259 120.400 -0.006 0.000 2.322 78 K HA 0.233 4.554 4.320 0.002 0.000 0.283 78 K C -0.012 176.527 176.600 -0.101 0.000 1.042 78 K CA -0.307 55.832 56.287 -0.247 0.000 0.958 78 K CB 0.398 32.381 32.500 -0.863 0.000 0.984 78 K HN 0.586 nan 8.250 nan 0.000 0.473 79 N N 2.956 121.602 118.700 -0.090 0.000 2.663 79 N HA 0.133 4.874 4.740 0.002 0.000 0.250 79 N C -0.891 174.572 175.510 -0.078 0.000 1.129 79 N CA -0.050 52.967 53.050 -0.056 0.000 0.995 79 N CB 1.275 39.727 38.487 -0.058 0.000 1.324 79 N HN 0.579 nan 8.380 nan 0.000 0.512 80 A N 1.686 124.491 122.820 -0.025 0.000 3.048 80 A HA 0.151 4.473 4.320 0.002 0.000 0.264 80 A C 0.855 178.375 177.584 -0.106 0.000 1.796 80 A CA -0.262 51.756 52.037 -0.031 0.000 1.445 80 A CB -0.877 18.199 19.000 0.127 0.000 1.074 80 A HN 0.508 nan 8.150 nan 0.000 0.621 81 T N -2.995 111.467 114.554 -0.154 0.000 3.339 81 T HA 0.451 4.803 4.350 0.002 0.000 0.292 81 T C 0.048 174.602 174.700 -0.244 0.000 1.012 81 T CA -0.092 61.886 62.100 -0.204 0.000 0.937 81 T CB -0.140 68.635 68.868 -0.155 0.000 1.164 81 T HN 0.227 nan 8.240 nan 0.000 0.509 82 S N 0.415 115.953 115.700 -0.270 0.000 2.540 82 S HA 0.547 5.018 4.470 0.002 0.000 0.275 82 S C -1.495 172.928 174.600 -0.296 0.000 1.123 82 S CA -0.835 57.208 58.200 -0.262 0.000 0.907 82 S CB 0.951 64.052 63.200 -0.164 0.000 1.081 82 S HN 0.320 nan 8.310 nan 0.000 0.476 83 Y N 3.717 123.950 120.300 -0.111 0.000 2.569 83 Y HA 0.200 4.752 4.550 0.002 0.000 0.332 83 Y C -1.463 174.331 175.900 -0.176 0.000 1.120 83 Y CA -1.234 56.798 58.100 -0.113 0.000 1.416 83 Y CB -0.146 38.269 38.460 -0.075 0.000 1.210 83 Y HN 0.390 nan 8.280 nan 0.000 0.528 84 P HA 0.071 nan 4.420 nan 0.000 0.271 84 P C -2.636 174.563 177.300 -0.168 0.000 1.233 84 P CA -1.172 61.734 63.100 -0.324 0.000 0.789 84 P CB 0.444 31.891 31.700 -0.422 0.000 0.951 85 P HA 0.232 nan 4.420 nan 0.000 0.274 85 P C -0.165 177.087 177.300 -0.080 0.000 1.246 85 P CA -0.175 62.856 63.100 -0.116 0.000 0.795 85 P CB 0.245 31.875 31.700 -0.118 0.000 1.006 86 M N -0.232 119.309 119.600 -0.098 0.000 2.318 86 M HA 0.474 4.955 4.480 0.002 0.000 0.347 86 M C -0.716 175.498 176.300 -0.144 0.000 1.175 86 M CA -0.626 54.609 55.300 -0.108 0.000 1.075 86 M CB 0.589 33.108 32.600 -0.135 0.000 1.614 86 M HN 0.123 nan 8.290 nan 0.000 0.456 87 c N 1.766 120.276 118.600 -0.150 0.000 2.692 87 c HA 0.083 4.654 4.570 0.002 0.000 0.409 87 c C 1.030 174.925 174.090 -0.324 0.000 1.284 87 c CA -0.131 56.056 56.329 -0.237 0.000 1.909 87 c CB -0.453 41.943 42.510 -0.189 0.000 2.713 87 c HN 0.865 nan 8.230 nan 0.000 0.649 88 T N 4.057 118.258 114.554 -0.590 0.000 2.905 88 T HA 0.304 4.656 4.350 0.002 0.000 0.299 88 T C 0.008 174.484 174.700 -0.374 0.000 1.024 88 T CA 0.522 62.214 62.100 -0.680 0.000 1.151 88 T CB -0.163 67.825 68.868 -1.467 0.000 0.987 88 T HN 0.867 nan 8.240 nan 0.000 0.535 89 Q N 1.199 120.914 119.800 -0.143 0.000 2.647 89 Q HA 0.309 4.650 4.340 0.002 0.000 0.283 89 Q C -1.665 174.348 176.000 0.022 0.000 0.943 89 Q CA -1.163 54.646 55.803 0.010 0.000 0.813 89 Q CB 0.967 29.688 28.738 -0.028 0.000 1.477 89 Q HN 0.400 nan 8.270 nan 0.000 0.393 90 D N 2.893 123.330 120.400 0.063 0.000 2.502 90 D HA 0.006 4.647 4.640 0.002 0.000 0.249 90 D C -1.155 175.148 176.300 0.006 0.000 1.188 90 D CA -1.265 52.766 54.000 0.051 0.000 0.890 90 D CB 1.000 41.839 40.800 0.065 0.000 1.140 90 D HN 0.335 nan 8.370 nan 0.000 0.505 91 P HA -0.198 nan 4.420 nan 0.000 0.219 91 P C 0.736 178.018 177.300 -0.030 0.000 1.146 91 P CA 1.306 64.389 63.100 -0.028 0.000 0.808 91 P CB 0.389 32.074 31.700 -0.025 0.000 0.779 92 K N 0.090 120.481 120.400 -0.016 0.000 2.005 92 K HA 0.067 4.388 4.320 0.002 0.000 0.206 92 K C 2.510 179.094 176.600 -0.028 0.000 1.044 92 K CA 1.122 57.398 56.287 -0.018 0.000 0.942 92 K CB -0.752 31.743 32.500 -0.007 0.000 0.727 92 K HN -0.039 nan 8.250 nan 0.000 0.439 93 A N 1.662 124.469 122.820 -0.021 0.000 1.917 93 A HA -0.148 4.173 4.320 0.002 0.000 0.219 93 A C 2.405 179.953 177.584 -0.059 0.000 1.182 93 A CA 2.163 54.180 52.037 -0.034 0.000 0.633 93 A CB -1.398 17.593 19.000 -0.014 0.000 0.819 93 A HN 0.461 nan 8.150 nan 0.000 0.448 94 G N -0.964 107.802 108.800 -0.057 0.000 2.433 94 G HA2 -0.283 3.678 3.960 0.002 0.000 0.216 94 G HA3 -0.283 3.678 3.960 0.002 0.000 0.216 94 G C 1.637 176.478 174.900 -0.099 0.000 1.186 94 G CA 1.159 46.209 45.100 -0.083 0.000 0.779 94 G HN 0.647 nan 8.290 nan 0.000 0.543 95 Q N -0.516 119.235 119.800 -0.081 0.000 2.124 95 Q HA -0.062 4.279 4.340 0.002 0.000 0.202 95 Q C 2.392 178.345 176.000 -0.078 0.000 0.977 95 Q CA 1.224 56.977 55.803 -0.082 0.000 0.850 95 Q CB -0.260 28.441 28.738 -0.063 0.000 0.901 95 Q HN 0.371 nan 8.270 nan 0.000 0.429 96 L N 0.456 121.639 121.223 -0.066 0.000 1.970 96 L HA -0.167 4.174 4.340 0.002 0.000 0.212 96 L C 2.138 178.956 176.870 -0.087 0.000 1.071 96 L CA 1.774 56.581 54.840 -0.055 0.000 0.751 96 L CB -1.011 41.021 42.059 -0.045 0.000 0.889 96 L HN 0.454 nan 8.230 nan 0.000 0.432 97 L N -0.921 120.216 121.223 -0.144 0.000 2.127 97 L HA -0.185 4.157 4.340 0.002 0.000 0.211 97 L C 2.674 179.396 176.870 -0.247 0.000 1.089 97 L CA 2.041 56.721 54.840 -0.266 0.000 0.757 97 L CB -0.924 40.951 42.059 -0.306 0.000 0.899 97 L HN 0.498 nan 8.230 nan 0.000 0.434 98 S N -0.903 114.691 115.700 -0.177 0.000 2.382 98 S HA -0.195 4.276 4.470 0.002 0.000 0.228 98 S C 1.827 176.350 174.600 -0.129 0.000 1.027 98 S CA 1.563 59.655 58.200 -0.179 0.000 0.991 98 S CB -0.224 62.874 63.200 -0.170 0.000 0.823 98 S HN 0.681 nan 8.310 nan 0.000 0.469 99 E N 0.590 120.748 120.200 -0.070 0.000 2.046 99 E HA -0.015 4.336 4.350 0.002 0.000 0.190 99 E C 2.081 178.730 176.600 0.083 0.000 0.982 99 E CA 1.031 57.425 56.400 -0.011 0.000 0.800 99 E CB -0.297 29.405 29.700 0.004 0.000 0.756 99 E HN 0.469 nan 8.360 nan 0.000 0.449 100 L N 0.001 121.299 121.223 0.124 0.000 2.362 100 L HA -0.108 4.233 4.340 0.002 0.000 0.219 100 L C 1.686 178.909 176.870 0.587 0.000 1.134 100 L CA 0.607 55.635 54.840 0.314 0.000 0.807 100 L CB -0.048 42.180 42.059 0.282 0.000 0.927 100 L HN 0.096 nan 8.230 nan 0.000 0.447 101 F N -1.472 118.465 119.950 -0.022 0.000 2.680 101 F HA 0.139 4.667 4.527 0.002 0.000 0.290 101 F C 1.639 177.167 175.800 -0.455 0.000 1.114 101 F CA -0.606 57.256 58.000 -0.230 0.000 1.333 101 F CB -0.454 38.400 39.000 -0.243 0.000 1.091 101 F HN -0.238 nan 8.300 nan 0.000 0.606 102 T N 2.509 116.955 114.554 -0.180 0.000 2.923 102 T HA -0.096 4.256 4.350 0.002 0.000 0.304 102 T C 1.235 175.786 174.700 -0.249 0.000 1.044 102 T CA 0.312 62.222 62.100 -0.315 0.000 1.141 102 T CB 0.145 68.884 68.868 -0.216 0.000 1.023 102 T HN 0.401 nan 8.240 nan 0.000 0.533 103 N N 4.511 123.009 118.700 -0.337 0.000 2.280 103 N HA 0.021 4.762 4.740 0.002 0.000 0.192 103 N C 0.437 175.831 175.510 -0.194 0.000 1.109 103 N CA -0.385 52.510 53.050 -0.258 0.000 0.855 103 N CB 0.071 38.402 38.487 -0.260 0.000 0.974 103 N HN 0.756 nan 8.380 nan 0.000 0.482 104 R N 0.392 120.792 120.500 -0.165 0.000 2.691 104 R HA 0.368 4.709 4.340 0.002 0.000 0.259 104 R C 1.216 177.464 176.300 -0.085 0.000 1.048 104 R CA -0.843 55.192 56.100 -0.107 0.000 1.086 104 R CB 1.096 31.345 30.300 -0.086 0.000 1.166 104 R HN -0.113 nan 8.270 nan 0.000 0.526 105 K N 0.574 120.946 120.400 -0.046 0.000 1.969 105 K HA -0.212 4.110 4.320 0.002 0.000 0.216 105 K C -0.032 176.554 176.600 -0.024 0.000 1.048 105 K CA 1.664 57.938 56.287 -0.022 0.000 0.948 105 K CB -0.499 32.003 32.500 0.003 0.000 0.726 105 K HN 0.783 nan 8.250 nan 0.000 0.442 106 E N 1.503 121.687 120.200 -0.026 0.000 2.216 106 E HA 0.124 4.475 4.350 0.002 0.000 0.279 106 E C -1.053 175.508 176.600 -0.065 0.000 0.997 106 E CA -0.858 55.523 56.400 -0.033 0.000 0.817 106 E CB 1.035 30.722 29.700 -0.021 0.000 1.096 106 E HN 0.282 nan 8.360 nan 0.000 0.393 107 N N 4.141 122.801 118.700 -0.067 0.000 2.458 107 N HA 0.064 4.805 4.740 0.002 0.000 0.270 107 N C -0.491 174.949 175.510 -0.116 0.000 1.102 107 N CA -0.617 52.373 53.050 -0.101 0.000 0.967 107 N CB 0.532 38.971 38.487 -0.079 0.000 1.078 107 N HN 0.460 nan 8.380 nan 0.000 0.471 108 I N 5.542 126.003 120.570 -0.181 0.000 2.352 108 I HA 0.218 4.390 4.170 0.002 0.000 0.290 108 I C -1.752 174.264 176.117 -0.169 0.000 1.036 108 I CA -2.341 58.840 61.300 -0.199 0.000 1.336 108 I CB 0.531 38.300 38.000 -0.386 0.000 1.407 108 I HN 0.441 nan 8.210 nan 0.000 0.497 109 P HA 0.281 nan 4.420 nan 0.000 0.271 109 P C -0.731 176.512 177.300 -0.096 0.000 1.220 109 P CA -0.142 62.904 63.100 -0.090 0.000 0.768 109 P CB 1.251 32.915 31.700 -0.060 0.000 0.848 110 L N 2.406 123.568 121.223 -0.100 0.000 2.331 110 L HA 0.551 4.892 4.340 0.002 0.000 0.268 110 L C 0.790 177.611 176.870 -0.081 0.000 1.015 110 L CA -1.122 53.661 54.840 -0.095 0.000 0.807 110 L CB 1.284 43.273 42.059 -0.117 0.000 1.293 110 L HN 0.270 nan 8.230 nan 0.000 0.451 111 K N 0.382 120.733 120.400 -0.081 0.000 2.221 111 K HA 0.665 4.986 4.320 0.002 0.000 0.243 111 K C -1.291 175.248 176.600 -0.101 0.000 0.968 111 K CA -0.439 55.798 56.287 -0.082 0.000 0.846 111 K CB 1.515 33.969 32.500 -0.077 0.000 1.141 111 K HN 0.353 nan 8.250 nan 0.000 0.434 112 L N 1.181 122.340 121.223 -0.107 0.000 2.325 112 L HA 0.615 4.956 4.340 0.002 0.000 0.278 112 L C -0.421 176.355 176.870 -0.158 0.000 1.023 112 L CA -0.623 54.132 54.840 -0.143 0.000 0.811 112 L CB 1.831 43.803 42.059 -0.144 0.000 1.249 112 L HN 0.619 nan 8.230 nan 0.000 0.431 113 S N 0.403 115.979 115.700 -0.207 0.000 2.580 113 S HA 0.154 4.625 4.470 0.002 0.000 0.281 113 S C 0.117 174.546 174.600 -0.284 0.000 1.129 113 S CA -0.598 57.478 58.200 -0.207 0.000 0.862 113 S CB 1.452 64.575 63.200 -0.128 0.000 1.090 113 S HN 0.765 nan 8.310 nan 0.000 0.451 114 E N 1.051 121.064 120.200 -0.311 0.000 2.204 114 E HA -0.089 4.262 4.350 0.002 0.000 0.194 114 E C -0.202 176.269 176.600 -0.214 0.000 0.989 114 E CA 0.680 56.861 56.400 -0.366 0.000 0.824 114 E CB 0.022 29.553 29.700 -0.282 0.000 0.756 114 E HN 0.559 nan 8.360 nan 0.000 0.477 115 D N 0.311 120.632 120.400 -0.132 0.000 2.470 115 D HA -0.011 4.630 4.640 0.002 0.000 0.226 115 D C 0.082 176.431 176.300 0.082 0.000 1.196 115 D CA -0.200 53.776 54.000 -0.041 0.000 0.979 115 D CB 0.004 40.810 40.800 0.010 0.000 1.059 115 D HN 0.160 nan 8.370 nan 0.000 0.515 116 c N 2.453 121.065 118.600 0.020 0.000 3.865 116 c HA 0.348 4.920 4.570 0.002 0.000 0.297 116 c C 0.663 174.803 174.090 0.083 0.000 1.758 116 c CA -0.689 55.725 56.329 0.141 0.000 1.778 116 c CB -1.308 41.198 42.510 -0.006 0.000 3.158 116 c HN 0.436 nan 8.230 nan 0.000 0.598 117 L N 2.466 123.505 121.223 -0.307 0.000 2.382 117 L HA 0.366 4.707 4.340 0.002 0.000 0.259 117 L C -0.776 175.572 176.870 -0.869 0.000 1.291 117 L CA 0.584 55.046 54.840 -0.631 0.000 1.176 117 L CB -0.856 40.606 42.059 -0.996 0.000 1.373 117 L HN 0.386 nan 8.230 nan 0.000 0.426 118 Y N 1.883 122.183 120.300 -0.000 0.000 2.605 118 Y HA 0.711 5.263 4.550 0.002 0.000 0.343 118 Y C -0.168 175.898 175.900 0.276 0.000 1.036 118 Y CA -1.292 56.869 58.100 0.102 0.000 1.065 118 Y CB 2.009 40.464 38.460 -0.008 0.000 1.288 118 Y HN 0.162 nan 8.280 nan 0.000 0.481 119 L N -0.244 121.153 121.223 0.289 0.000 2.424 119 L HA 0.737 5.079 4.340 0.002 0.000 0.258 119 L C -1.490 175.416 176.870 0.060 0.000 0.995 119 L CA -1.161 53.757 54.840 0.131 0.000 0.821 119 L CB 1.821 43.843 42.059 -0.062 0.000 1.383 119 L HN 0.414 nan 8.230 nan 0.000 0.410 120 N N 1.965 120.726 118.700 0.102 0.000 2.361 120 N HA 0.701 5.442 4.740 0.002 0.000 0.302 120 N C -1.153 174.365 175.510 0.015 0.000 1.074 120 N CA -0.215 52.856 53.050 0.036 0.000 0.850 120 N CB 2.528 41.085 38.487 0.118 0.000 1.228 120 N HN 0.681 nan 8.380 nan 0.000 0.491 121 I N 1.804 122.301 120.570 -0.121 0.000 2.509 121 I HA 0.322 4.493 4.170 0.002 0.000 0.293 121 I C -1.079 174.963 176.117 -0.126 0.000 1.020 121 I CA -0.771 60.500 61.300 -0.049 0.000 1.088 121 I CB 1.315 39.194 38.000 -0.201 0.000 1.267 121 I HN 0.348 nan 8.210 nan 0.000 0.430 122 Y N 3.193 123.596 120.300 0.171 0.000 2.426 122 Y HA 0.322 4.873 4.550 0.002 0.000 0.325 122 Y C 0.263 176.264 175.900 0.169 0.000 0.989 122 Y CA -0.665 57.534 58.100 0.166 0.000 1.284 122 Y CB 1.920 40.462 38.460 0.137 0.000 1.104 122 Y HN 0.352 nan 8.280 nan 0.000 0.481 123 T N 5.103 119.848 114.554 0.319 0.000 2.770 123 T HA 0.316 4.667 4.350 0.002 0.000 0.283 123 T C -1.992 172.852 174.700 0.240 0.000 0.988 123 T CA -2.332 59.938 62.100 0.282 0.000 0.957 123 T CB 1.197 70.273 68.868 0.347 0.000 0.930 123 T HN 0.344 nan 8.240 nan 0.000 0.443 124 P HA 0.237 nan 4.420 nan 0.000 0.249 124 P C 0.337 177.735 177.300 0.163 0.000 1.229 124 P CA -0.116 63.074 63.100 0.150 0.000 0.788 124 P CB 0.080 31.833 31.700 0.089 0.000 1.072 125 A N 0.986 123.912 122.820 0.177 0.000 2.386 125 A HA 0.130 4.451 4.320 0.002 0.000 0.248 125 A C 0.005 177.702 177.584 0.187 0.000 1.082 125 A CA -0.070 52.065 52.037 0.162 0.000 0.789 125 A CB -0.381 18.711 19.000 0.153 0.000 1.025 125 A HN -0.041 nan 8.150 nan 0.000 0.490 126 D N 1.980 122.471 120.400 0.152 0.000 2.453 126 D HA 0.292 4.934 4.640 0.002 0.000 0.223 126 D C 0.964 177.352 176.300 0.147 0.000 1.183 126 D CA -0.091 54.004 54.000 0.157 0.000 0.933 126 D CB -0.263 40.601 40.800 0.106 0.000 1.038 126 D HN 0.419 nan 8.370 nan 0.000 0.513 127 L N 2.303 123.637 121.223 0.186 0.000 2.450 127 L HA -0.160 4.181 4.340 0.002 0.000 0.225 127 L C 2.286 179.217 176.870 0.101 0.000 1.145 127 L CA 1.381 56.304 54.840 0.138 0.000 0.801 127 L CB -0.890 41.265 42.059 0.159 0.000 0.924 127 L HN 0.498 nan 8.230 nan 0.000 0.447 128 T N -3.393 111.228 114.554 0.112 0.000 3.163 128 T HA 0.031 4.383 4.350 0.002 0.000 0.260 128 T C 0.623 175.355 174.700 0.054 0.000 1.156 128 T CA 0.275 62.422 62.100 0.079 0.000 1.072 128 T CB -0.049 68.864 68.868 0.076 0.000 0.937 128 T HN 0.312 nan 8.240 nan 0.000 0.528 129 K N 0.136 120.568 120.400 0.054 0.000 2.495 129 K HA 0.467 4.788 4.320 0.002 0.000 0.268 129 K C -1.089 175.532 176.600 0.036 0.000 1.008 129 K CA -1.144 55.167 56.287 0.039 0.000 0.882 129 K CB 2.016 34.539 32.500 0.040 0.000 1.443 129 K HN -0.005 nan 8.250 nan 0.000 0.447 130 K N 1.610 122.025 120.400 0.025 0.000 2.326 130 K HA 0.115 4.436 4.320 0.002 0.000 0.275 130 K C -0.802 175.818 176.600 0.032 0.000 1.018 130 K CA 0.115 56.415 56.287 0.021 0.000 0.962 130 K CB 0.412 32.918 32.500 0.011 0.000 0.953 130 K HN 0.491 nan 8.250 nan 0.000 0.475 131 N N 3.039 121.762 118.700 0.038 0.000 2.371 131 N HA 0.225 4.966 4.740 0.002 0.000 0.280 131 N C -1.447 174.092 175.510 0.049 0.000 1.084 131 N CA -0.703 52.376 53.050 0.049 0.000 0.892 131 N CB 1.828 40.358 38.487 0.071 0.000 1.653 131 N HN 0.433 nan 8.380 nan 0.000 0.480 132 R N 1.357 121.883 120.500 0.043 0.000 2.782 132 R HA 0.416 4.757 4.340 0.002 0.000 0.293 132 R C -0.444 175.882 176.300 0.043 0.000 1.333 132 R CA -0.304 55.820 56.100 0.040 0.000 1.479 132 R CB 0.068 30.380 30.300 0.021 0.000 1.306 132 R HN 0.433 nan 8.270 nan 0.000 0.654 133 L N 2.278 123.537 121.223 0.061 0.000 2.456 133 L HA 0.295 4.636 4.340 0.002 0.000 0.272 133 L C -1.576 175.330 176.870 0.060 0.000 1.189 133 L CA -1.726 53.150 54.840 0.060 0.000 0.846 133 L CB 0.143 42.248 42.059 0.078 0.000 1.111 133 L HN 0.068 nan 8.230 nan 0.000 0.475 134 P HA 0.008 nan 4.420 nan 0.000 0.266 134 P C -0.650 176.690 177.300 0.066 0.000 1.195 134 P CA -0.046 63.080 63.100 0.043 0.000 0.768 134 P CB 0.866 32.575 31.700 0.015 0.000 0.838 135 V N 5.084 125.052 119.914 0.089 0.000 2.532 135 V HA 0.371 4.492 4.120 0.002 0.000 0.295 135 V C 0.714 176.877 176.094 0.115 0.000 1.041 135 V CA -0.333 62.037 62.300 0.117 0.000 0.926 135 V CB 1.126 33.032 31.823 0.140 0.000 0.992 135 V HN 0.517 nan 8.190 nan 0.000 0.457 136 M N 4.474 124.161 119.600 0.144 0.000 2.093 136 M HA 0.439 4.920 4.480 0.002 0.000 0.297 136 M C -1.225 175.350 176.300 0.458 0.000 0.938 136 M CA -0.497 54.911 55.300 0.179 0.000 0.920 136 M CB 1.944 34.502 32.600 -0.071 0.000 1.517 136 M HN 0.371 nan 8.290 nan 0.000 0.427 137 V N 3.571 123.771 119.914 0.477 0.000 2.364 137 V HA 0.260 4.382 4.120 0.002 0.000 0.272 137 V C -0.629 175.727 176.094 0.437 0.000 1.036 137 V CA -0.468 62.072 62.300 0.400 0.000 0.880 137 V CB 0.960 32.897 31.823 0.189 0.000 0.991 137 V HN 0.839 nan 8.190 nan 0.000 0.460 138 W N 7.247 128.580 121.300 0.055 0.000 2.335 138 W HA 0.553 5.214 4.660 0.002 0.000 0.307 138 W C -1.102 175.276 176.519 -0.236 0.000 1.117 138 W CA -0.926 56.180 57.345 -0.398 0.000 1.228 138 W CB 1.213 30.459 29.460 -0.356 0.000 1.240 138 W HN 0.455 nan 8.180 nan 0.000 0.468 139 I N 8.550 128.566 120.570 -0.924 0.000 2.310 139 I HA 0.009 4.181 4.170 0.002 0.000 0.287 139 I C 1.306 176.698 176.117 -1.209 0.000 1.073 139 I CA -0.626 60.192 61.300 -0.803 0.000 1.216 139 I CB 0.130 37.757 38.000 -0.621 0.000 1.415 139 I HN 0.403 nan 8.210 nan 0.000 0.480 140 H N 4.723 123.241 119.070 -0.921 0.000 2.964 140 H HA 0.212 4.770 4.556 0.002 0.000 0.368 140 H C 0.007 175.193 175.328 -0.236 0.000 1.212 140 H CA -0.030 55.615 56.048 -0.672 0.000 1.421 140 H CB 0.767 30.500 29.762 -0.048 0.000 1.385 140 H HN 0.554 nan 8.280 nan 0.000 0.614 141 G N -2.033 106.820 108.800 0.088 0.000 2.887 141 G HA2 0.503 4.464 3.960 0.002 0.000 0.277 141 G HA3 0.503 4.464 3.960 0.002 0.000 0.277 141 G C 0.091 175.174 174.900 0.305 0.000 1.346 141 G CA -0.792 44.391 45.100 0.139 0.000 1.058 141 G HN 1.209 nan 8.290 nan 0.000 0.535 142 G N -2.423 106.491 108.800 0.190 0.000 2.370 142 G HA2 0.426 4.388 3.960 0.002 0.000 0.225 142 G HA3 0.426 4.388 3.960 0.002 0.000 0.225 142 G C 0.989 175.926 174.900 0.063 0.000 1.109 142 G CA 0.694 45.866 45.100 0.120 0.000 0.871 142 G HN 2.277 nan 8.290 nan 0.000 0.498 143 G N -0.190 108.646 108.800 0.059 0.000 2.244 143 G HA2 -0.220 3.741 3.960 0.002 0.000 0.274 143 G HA3 -0.220 3.741 3.960 0.002 0.000 0.274 143 G C 1.276 176.120 174.900 -0.093 0.000 1.002 143 G CA 0.981 46.075 45.100 -0.009 0.000 0.740 143 G HN 1.795 nan 8.290 nan 0.000 0.516 144 L N -3.879 117.305 121.223 -0.066 0.000 5.051 144 L HA -0.286 4.055 4.340 0.002 0.000 0.432 144 L C 2.120 178.934 176.870 -0.094 0.000 1.055 144 L CA 1.786 56.538 54.840 -0.147 0.000 1.095 144 L CB -1.293 40.435 42.059 -0.552 0.000 1.957 144 L HN 0.421 nan 8.230 nan 0.000 0.727 145 M N -1.101 118.458 119.600 -0.068 0.000 2.615 145 M HA 0.309 4.790 4.480 0.002 0.000 0.262 145 M C 0.785 177.084 176.300 -0.001 0.000 1.198 145 M CA 1.227 56.492 55.300 -0.058 0.000 1.165 145 M CB 0.354 32.888 32.600 -0.110 0.000 1.310 145 M HN 0.232 nan 8.290 nan 0.000 0.494 146 V N -3.180 116.738 119.914 0.006 0.000 3.181 146 V HA 1.040 5.162 4.120 0.002 0.000 0.308 146 V C -0.297 175.812 176.094 0.025 0.000 1.214 146 V CA -0.308 61.989 62.300 -0.005 0.000 1.053 146 V CB 1.287 33.095 31.823 -0.026 0.000 1.069 146 V HN 0.480 nan 8.190 nan 0.000 0.441 147 G N -0.578 108.176 108.800 -0.076 0.000 2.355 147 G HA2 0.657 4.618 3.960 0.002 0.000 0.619 147 G HA3 0.657 4.618 3.960 0.002 0.000 0.619 147 G C -0.723 173.812 174.900 -0.608 0.000 1.337 147 G CA -0.119 44.842 45.100 -0.232 0.000 0.993 147 G HN 2.701 nan 8.290 nan 0.000 0.599 148 A N -1.442 120.816 122.820 -0.936 0.000 2.599 148 A HA 0.999 5.320 4.320 0.002 0.000 0.294 148 A C 0.667 178.086 177.584 -0.275 0.000 1.055 148 A CA 0.724 52.408 52.037 -0.589 0.000 0.683 148 A CB 0.828 19.674 19.000 -0.257 0.000 1.278 148 A HN 2.544 nan 8.150 nan 0.000 0.412 149 A N 0.432 123.270 122.820 0.029 0.000 1.968 149 A HA 0.146 4.467 4.320 0.002 0.000 0.217 149 A C 1.958 179.722 177.584 0.301 0.000 1.169 149 A CA 2.258 54.482 52.037 0.313 0.000 0.638 149 A CB -0.658 18.541 19.000 0.333 0.000 0.812 149 A HN 1.229 nan 8.150 nan 0.000 0.446 150 S N -0.229 115.562 115.700 0.152 0.000 2.442 150 S HA -0.124 4.347 4.470 0.002 0.000 0.236 150 S C 1.878 176.429 174.600 -0.082 0.000 1.007 150 S CA 1.521 59.775 58.200 0.091 0.000 0.965 150 S CB -0.515 62.677 63.200 -0.013 0.000 0.773 150 S HN 0.661 nan 8.310 nan 0.000 0.504 151 T N 1.038 115.514 114.554 -0.130 0.000 2.720 151 T HA -0.094 4.258 4.350 0.002 0.000 0.268 151 T C -0.008 174.377 174.700 -0.524 0.000 1.037 151 T CA 1.162 63.039 62.100 -0.372 0.000 1.144 151 T CB -0.314 68.241 68.868 -0.521 0.000 0.864 151 T HN 0.419 nan 8.240 nan 0.000 0.444 152 Y N 1.854 122.032 120.300 -0.204 0.000 2.383 152 Y HA 0.416 4.967 4.550 0.002 0.000 0.344 152 Y C 0.227 175.958 175.900 -0.282 0.000 0.986 152 Y CA -1.905 55.899 58.100 -0.493 0.000 1.175 152 Y CB 0.278 38.165 38.460 -0.955 0.000 1.152 152 Y HN -0.053 nan 8.280 nan 0.000 0.511 153 D N 2.044 122.331 120.400 -0.188 0.000 2.225 153 D HA 0.229 4.870 4.640 0.002 0.000 0.248 153 D C 0.865 176.958 176.300 -0.346 0.000 1.096 153 D CA -0.152 53.732 54.000 -0.193 0.000 0.863 153 D CB 1.795 42.539 40.800 -0.093 0.000 1.156 153 D HN 0.829 nan 8.370 nan 0.000 0.450 154 G N 3.029 111.136 108.800 -1.154 0.000 3.088 154 G HA2 -0.088 3.873 3.960 0.002 0.000 0.217 154 G HA3 -0.088 3.873 3.960 0.002 0.000 0.217 154 G C 1.340 175.944 174.900 -0.493 0.000 1.159 154 G CA -0.084 44.538 45.100 -0.797 0.000 0.760 154 G HN 0.461 nan 8.290 nan 0.000 0.550 155 L N 2.097 123.076 121.223 -0.406 0.000 1.965 155 L HA -0.154 4.188 4.340 0.002 0.000 0.226 155 L C 2.915 179.717 176.870 -0.114 0.000 1.083 155 L CA 2.671 57.472 54.840 -0.064 0.000 0.790 155 L CB -1.066 41.008 42.059 0.025 0.000 0.898 155 L HN 0.236 nan 8.230 nan 0.000 0.439 156 A N -0.721 122.019 122.820 -0.134 0.000 1.848 156 A HA -0.288 4.033 4.320 0.002 0.000 0.217 156 A C 2.277 179.721 177.584 -0.233 0.000 1.220 156 A CA 2.454 54.370 52.037 -0.200 0.000 0.645 156 A CB -1.485 17.385 19.000 -0.217 0.000 0.842 156 A HN 0.588 nan 8.150 nan 0.000 0.451 157 L N -0.258 120.821 121.223 -0.240 0.000 2.010 157 L HA -0.247 4.095 4.340 0.002 0.000 0.219 157 L C 2.725 179.516 176.870 -0.132 0.000 1.077 157 L CA 2.833 57.539 54.840 -0.224 0.000 0.773 157 L CB -1.035 40.844 42.059 -0.299 0.000 0.892 157 L HN 0.462 nan 8.230 nan 0.000 0.436 158 A N -0.816 121.946 122.820 -0.098 0.000 1.892 158 A HA -0.179 4.142 4.320 0.002 0.000 0.218 158 A C 2.435 179.976 177.584 -0.072 0.000 1.188 158 A CA 2.534 54.556 52.037 -0.026 0.000 0.631 158 A CB -1.314 17.724 19.000 0.062 0.000 0.822 158 A HN 0.666 nan 8.150 nan 0.000 0.447 159 A N -1.178 121.530 122.820 -0.187 0.000 1.841 159 A HA -0.173 4.149 4.320 0.002 0.000 0.214 159 A C 2.060 179.404 177.584 -0.400 0.000 1.195 159 A CA 1.490 53.256 52.037 -0.453 0.000 0.611 159 A CB -1.090 17.371 19.000 -0.899 0.000 0.835 159 A HN 0.710 nan 8.150 nan 0.000 0.443 160 H N -0.868 117.947 119.070 -0.424 0.000 2.387 160 H HA -0.063 4.494 4.556 0.002 0.000 0.299 160 H C 1.085 176.388 175.328 -0.042 0.000 1.090 160 H CA 1.484 57.445 56.048 -0.145 0.000 1.332 160 H CB 0.257 29.859 29.762 -0.267 0.000 1.386 160 H HN 0.430 nan 8.280 nan 0.000 0.516 161 E N 0.013 120.240 120.200 0.045 0.000 2.526 161 E HA 0.010 4.361 4.350 0.002 0.000 0.208 161 E C -0.059 176.561 176.600 0.033 0.000 0.997 161 E CA -0.240 56.182 56.400 0.037 0.000 0.961 161 E CB 0.164 29.873 29.700 0.016 0.000 1.030 161 E HN 0.328 nan 8.360 nan 0.000 0.483 162 N N 0.842 119.559 118.700 0.029 0.000 2.681 162 N HA -0.147 4.595 4.740 0.002 0.000 0.259 162 N C -0.837 174.700 175.510 0.045 0.000 1.066 162 N CA 0.780 53.856 53.050 0.044 0.000 0.717 162 N CB -0.883 37.638 38.487 0.058 0.000 0.885 162 N HN 0.002 nan 8.380 nan 0.000 0.547 163 V N -2.212 117.727 119.914 0.042 0.000 2.841 163 V HA 0.616 4.737 4.120 0.002 0.000 0.310 163 V C 0.465 176.610 176.094 0.085 0.000 1.090 163 V CA -1.025 61.306 62.300 0.051 0.000 0.930 163 V CB 2.138 33.972 31.823 0.017 0.000 1.014 163 V HN -0.086 nan 8.190 nan 0.000 0.425 164 V N 3.777 123.760 119.914 0.115 0.000 2.470 164 V HA 0.310 4.431 4.120 0.002 0.000 0.276 164 V C 0.272 176.475 176.094 0.181 0.000 1.040 164 V CA -0.117 62.281 62.300 0.163 0.000 1.008 164 V CB 1.160 33.085 31.823 0.170 0.000 0.990 164 V HN 0.724 nan 8.190 nan 0.000 0.477 165 V N 6.420 126.476 119.914 0.237 0.000 2.370 165 V HA 0.412 4.533 4.120 0.002 0.000 0.279 165 V C -0.048 176.280 176.094 0.391 0.000 1.029 165 V CA -0.417 62.060 62.300 0.294 0.000 0.870 165 V CB 1.732 33.693 31.823 0.231 0.000 0.984 165 V HN 0.608 nan 8.190 nan 0.000 0.451 166 V N 4.333 124.467 119.914 0.366 0.000 2.448 166 V HA 0.511 4.632 4.120 0.002 0.000 0.295 166 V C 0.205 176.517 176.094 0.364 0.000 1.025 166 V CA -0.520 61.970 62.300 0.316 0.000 0.859 166 V CB 2.233 34.184 31.823 0.213 0.000 0.988 166 V HN 0.981 nan 8.190 nan 0.000 0.431 167 T N 3.626 118.404 114.554 0.374 0.000 2.756 167 T HA 0.765 5.116 4.350 0.002 0.000 0.290 167 T C -0.395 174.467 174.700 0.269 0.000 0.985 167 T CA -0.469 61.870 62.100 0.398 0.000 0.955 167 T CB 1.089 70.256 68.868 0.499 0.000 0.930 167 T HN 0.643 nan 8.240 nan 0.000 0.451 168 I N 0.395 121.088 120.570 0.206 0.000 2.707 168 I HA 0.650 4.821 4.170 0.002 0.000 0.309 168 I C -0.517 175.788 176.117 0.314 0.000 1.001 168 I CA -1.148 60.241 61.300 0.149 0.000 1.129 168 I CB 1.779 39.748 38.000 -0.052 0.000 1.308 168 I HN 0.537 nan 8.210 nan 0.000 0.466 169 Q N 2.767 122.799 119.800 0.386 0.000 2.351 169 Q HA 0.581 4.922 4.340 0.002 0.000 0.273 169 Q C -1.873 174.439 176.000 0.521 0.000 1.077 169 Q CA -0.818 55.242 55.803 0.428 0.000 0.843 169 Q CB 2.778 31.697 28.738 0.303 0.000 1.367 169 Q HN 0.742 nan 8.270 nan 0.000 0.449 170 Y N -2.746 117.708 120.300 0.256 0.000 2.592 170 Y HA 0.490 5.041 4.550 0.002 0.000 0.334 170 Y C -0.997 175.005 175.900 0.169 0.000 1.136 170 Y CA -1.416 56.808 58.100 0.207 0.000 1.042 170 Y CB 0.740 39.287 38.460 0.145 0.000 1.325 170 Y HN 0.424 nan 8.280 nan 0.000 0.457 171 R N 2.453 123.059 120.500 0.177 0.000 2.537 171 R HA 0.347 4.688 4.340 0.002 0.000 0.281 171 R C -0.785 175.633 176.300 0.197 0.000 0.988 171 R CA 0.287 56.457 56.100 0.116 0.000 1.077 171 R CB 0.141 30.521 30.300 0.134 0.000 0.932 171 R HN 0.693 nan 8.270 nan 0.000 0.409 172 L N 1.404 122.747 121.223 0.199 0.000 2.271 172 L HA 0.562 4.904 4.340 0.002 0.000 0.265 172 L C 1.304 178.432 176.870 0.430 0.000 1.013 172 L CA -0.726 54.300 54.840 0.311 0.000 0.820 172 L CB 1.165 43.278 42.059 0.090 0.000 1.352 172 L HN 0.859 nan 8.230 nan 0.000 0.443 173 G N 0.281 109.281 108.800 0.334 0.000 2.602 173 G HA2 -0.327 3.634 3.960 0.002 0.000 0.306 173 G HA3 -0.327 3.634 3.960 0.002 0.000 0.306 173 G C 0.816 175.907 174.900 0.319 0.000 1.301 173 G CA 0.620 45.846 45.100 0.210 0.000 0.974 173 G HN 0.675 nan 8.290 nan 0.000 0.547 174 I N -0.666 120.004 120.570 0.166 0.000 2.151 174 I HA -0.218 3.953 4.170 0.002 0.000 0.243 174 I C 2.830 179.116 176.117 0.282 0.000 1.080 174 I CA 2.427 63.806 61.300 0.133 0.000 1.339 174 I CB -0.366 37.487 38.000 -0.244 0.000 1.039 174 I HN 0.558 nan 8.210 nan 0.000 0.409 175 W N 0.752 122.176 121.300 0.207 0.000 2.325 175 W HA -0.141 4.520 4.660 0.002 0.000 0.299 175 W C 2.312 178.924 176.519 0.154 0.000 1.215 175 W CA 1.459 58.829 57.345 0.041 0.000 1.244 175 W CB -0.877 28.541 29.460 -0.070 0.000 1.140 175 W HN 0.255 nan 8.180 nan 0.000 0.523 176 G N -2.757 106.293 108.800 0.416 0.000 3.020 176 G HA2 0.114 4.075 3.960 0.002 0.000 0.217 176 G HA3 0.114 4.075 3.960 0.002 0.000 0.217 176 G C 0.548 175.119 174.900 -0.548 0.000 1.144 176 G CA -0.033 45.107 45.100 0.067 0.000 0.760 176 G HN 0.137 nan 8.290 nan 0.000 0.548 177 F N -1.047 119.136 119.950 0.388 0.000 2.960 177 F HA 0.381 4.909 4.527 0.002 0.000 0.345 177 F C 0.169 176.081 175.800 0.187 0.000 1.147 177 F CA -1.544 56.543 58.000 0.146 0.000 1.099 177 F CB 0.290 39.297 39.000 0.012 0.000 1.219 177 F HN 0.008 nan 8.300 nan 0.000 0.525 178 F N 2.445 122.613 119.950 0.363 0.000 2.571 178 F HA 0.358 4.886 4.527 0.002 0.000 0.384 178 F C 0.430 176.327 175.800 0.163 0.000 1.058 178 F CA 0.206 58.326 58.000 0.200 0.000 1.200 178 F CB 0.463 39.494 39.000 0.052 0.000 1.077 178 F HN -0.075 nan 8.300 nan 0.000 0.558 179 S N 3.773 119.098 115.700 -0.625 0.000 2.557 179 S HA 0.358 4.829 4.470 0.002 0.000 0.291 179 S C 0.409 174.616 174.600 -0.654 0.000 1.116 179 S CA -0.072 57.825 58.200 -0.505 0.000 0.992 179 S CB 1.410 64.451 63.200 -0.266 0.000 1.028 179 S HN 0.799 nan 8.310 nan 0.000 0.484 180 T N 1.040 115.337 114.554 -0.430 0.000 3.086 180 T HA 0.398 4.750 4.350 0.002 0.000 0.250 180 T C 1.536 176.156 174.700 -0.134 0.000 1.074 180 T CA 0.532 62.467 62.100 -0.274 0.000 0.988 180 T CB -0.042 68.770 68.868 -0.094 0.000 0.988 180 T HN 1.712 nan 8.240 nan 0.000 0.530 181 G N 2.255 110.979 108.800 -0.126 0.000 2.225 181 G HA2 -0.234 3.727 3.960 0.002 0.000 0.254 181 G HA3 -0.234 3.727 3.960 0.002 0.000 0.254 181 G C -0.183 174.693 174.900 -0.041 0.000 0.988 181 G CA 0.301 45.353 45.100 -0.080 0.000 0.625 181 G HN 0.867 nan 8.290 nan 0.000 0.527 182 D N -0.649 119.745 120.400 -0.010 0.000 2.687 182 D HA 0.457 5.098 4.640 0.002 0.000 0.264 182 D C 1.359 177.661 176.300 0.004 0.000 1.091 182 D CA -0.066 53.940 54.000 0.009 0.000 1.123 182 D CB -0.043 40.793 40.800 0.060 0.000 1.407 182 D HN 0.170 nan 8.370 nan 0.000 0.591 183 E N -0.153 120.010 120.200 -0.060 0.000 2.401 183 E HA -0.237 4.115 4.350 0.002 0.000 0.199 183 E C 0.833 177.373 176.600 -0.101 0.000 1.023 183 E CA 1.098 57.439 56.400 -0.098 0.000 0.859 183 E CB -0.581 29.020 29.700 -0.164 0.000 0.780 183 E HN 0.487 nan 8.360 nan 0.000 0.523 184 H N 0.412 119.531 119.070 0.082 0.000 2.546 184 H HA 0.139 4.697 4.556 0.002 0.000 0.277 184 H C 0.321 175.747 175.328 0.163 0.000 1.004 184 H CA 1.156 57.265 56.048 0.102 0.000 1.231 184 H CB 0.464 30.271 29.762 0.074 0.000 1.382 184 H HN 0.140 nan 8.280 nan 0.000 0.580 185 S N -0.333 115.540 115.700 0.288 0.000 2.888 185 S HA 0.125 4.596 4.470 0.002 0.000 0.145 185 S C 0.781 175.554 174.600 0.290 0.000 0.705 185 S CA -0.584 57.885 58.200 0.450 0.000 0.891 185 S CB 0.013 63.439 63.200 0.376 0.000 1.592 185 S HN 0.197 nan 8.310 nan 0.000 0.514 186 R N 1.596 122.214 120.500 0.197 0.000 2.094 186 R HA 0.190 4.531 4.340 0.002 0.000 0.239 186 R C 1.431 177.518 176.300 -0.354 0.000 1.137 186 R CA 1.520 57.556 56.100 -0.108 0.000 0.943 186 R CB -0.362 29.848 30.300 -0.149 0.000 0.850 186 R HN 0.965 nan 8.270 nan 0.000 0.433 187 G N -1.128 107.109 108.800 -0.938 0.000 2.384 187 G HA2 -0.161 3.800 3.960 0.002 0.000 0.668 187 G HA3 -0.161 3.800 3.960 0.002 0.000 0.668 187 G C -0.733 173.382 174.900 -1.307 0.000 1.280 187 G CA -0.388 44.018 45.100 -1.156 0.000 0.992 187 G HN 0.262 nan 8.290 nan 0.000 0.512 188 N N -1.338 116.845 118.700 -0.861 0.000 2.782 188 N HA -0.194 4.547 4.740 0.002 0.000 0.251 188 N C 1.268 176.406 175.510 -0.620 0.000 1.101 188 N CA 1.892 54.610 53.050 -0.555 0.000 0.764 188 N CB -1.596 36.770 38.487 -0.200 0.000 1.122 188 N HN 0.730 nan 8.380 nan 0.000 0.561 189 W N 0.806 121.913 121.300 -0.322 0.000 2.318 189 W HA -0.170 4.491 4.660 0.002 0.000 0.313 189 W C 2.516 178.876 176.519 -0.264 0.000 1.221 189 W CA 1.004 58.225 57.345 -0.206 0.000 1.266 189 W CB -0.808 28.579 29.460 -0.122 0.000 1.150 189 W HN 0.301 nan 8.180 nan 0.000 0.496 190 G N 0.020 108.533 108.800 -0.479 0.000 2.491 190 G HA2 -0.304 3.657 3.960 0.002 0.000 0.218 190 G HA3 -0.304 3.657 3.960 0.002 0.000 0.218 190 G C 1.202 176.086 174.900 -0.028 0.000 1.180 190 G CA 1.562 46.528 45.100 -0.223 0.000 0.774 190 G HN 0.288 nan 8.290 nan 0.000 0.562 191 H N 0.376 119.427 119.070 -0.031 0.000 2.387 191 H HA 0.059 4.616 4.556 0.002 0.000 0.299 191 H C 2.750 178.062 175.328 -0.027 0.000 1.090 191 H CA 0.859 56.882 56.048 -0.043 0.000 1.332 191 H CB -0.437 29.309 29.762 -0.027 0.000 1.386 191 H HN 0.261 nan 8.280 nan 0.000 0.516 192 L N 0.382 121.674 121.223 0.115 0.000 2.046 192 L HA -0.170 4.171 4.340 0.002 0.000 0.208 192 L C 2.134 179.105 176.870 0.169 0.000 1.077 192 L CA 1.148 56.065 54.840 0.128 0.000 0.747 192 L CB -0.293 41.859 42.059 0.156 0.000 0.896 192 L HN 0.146 nan 8.230 nan 0.000 0.432 193 D N -0.246 120.276 120.400 0.202 0.000 2.123 193 D HA -0.206 4.435 4.640 0.002 0.000 0.196 193 D C 2.228 178.701 176.300 0.287 0.000 0.992 193 D CA 1.146 55.336 54.000 0.317 0.000 0.833 193 D CB -0.052 40.957 40.800 0.349 0.000 0.954 193 D HN 0.384 nan 8.370 nan 0.000 0.455 194 Q N 0.181 120.056 119.800 0.125 0.000 1.993 194 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 194 Q C 2.450 178.430 176.000 -0.033 0.000 0.984 194 Q CA 1.125 56.904 55.803 -0.040 0.000 0.837 194 Q CB -0.084 28.565 28.738 -0.148 0.000 0.902 194 Q HN 0.088 nan 8.270 nan 0.000 0.423 195 V N 1.075 121.002 119.914 0.021 0.000 2.380 195 V HA -0.360 3.761 4.120 0.002 0.000 0.251 195 V C 2.226 178.368 176.094 0.080 0.000 1.063 195 V CA 1.866 64.192 62.300 0.042 0.000 1.055 195 V CB -1.215 30.646 31.823 0.063 0.000 0.657 195 V HN 0.473 nan 8.190 nan 0.000 0.455 196 A N 0.189 123.095 122.820 0.143 0.000 1.865 196 A HA -0.203 4.118 4.320 0.002 0.000 0.217 196 A C 2.479 180.163 177.584 0.167 0.000 1.191 196 A CA 2.484 54.662 52.037 0.235 0.000 0.623 196 A CB -1.036 18.208 19.000 0.408 0.000 0.826 196 A HN 0.638 nan 8.150 nan 0.000 0.444 197 A N -0.546 122.173 122.820 -0.168 0.000 1.978 197 A HA -0.092 4.229 4.320 0.002 0.000 0.220 197 A C 2.164 179.705 177.584 -0.072 0.000 1.170 197 A CA 1.635 53.346 52.037 -0.544 0.000 0.636 197 A CB -0.615 17.741 19.000 -1.074 0.000 0.810 197 A HN 0.507 nan 8.150 nan 0.000 0.448 198 L N -1.202 120.010 121.223 -0.017 0.000 2.156 198 L HA -0.143 4.198 4.340 0.002 0.000 0.208 198 L C 2.806 179.742 176.870 0.109 0.000 1.095 198 L CA 1.010 55.883 54.840 0.056 0.000 0.770 198 L CB -0.441 41.646 42.059 0.047 0.000 0.914 198 L HN 0.372 nan 8.230 nan 0.000 0.439 199 R N -1.037 119.541 120.500 0.129 0.000 2.092 199 R HA -0.203 4.138 4.340 0.002 0.000 0.231 199 R C 2.046 178.441 176.300 0.158 0.000 1.119 199 R CA 1.590 57.767 56.100 0.128 0.000 0.970 199 R CB -0.525 29.860 30.300 0.141 0.000 0.864 199 R HN 0.408 nan 8.270 nan 0.000 0.440 200 W N 1.478 122.815 121.300 0.061 0.000 2.363 200 W HA -0.183 4.478 4.660 0.002 0.000 0.296 200 W C 1.863 178.417 176.519 0.059 0.000 1.212 200 W CA 1.159 58.557 57.345 0.089 0.000 1.260 200 W CB -0.108 29.429 29.460 0.129 0.000 1.131 200 W HN -0.253 nan 8.180 nan 0.000 0.530 201 V N 0.875 120.950 119.914 0.268 0.000 2.261 201 V HA -0.367 3.754 4.120 0.002 0.000 0.246 201 V C 2.571 178.653 176.094 -0.020 0.000 1.047 201 V CA 2.159 64.543 62.300 0.141 0.000 1.015 201 V CB -1.156 30.770 31.823 0.173 0.000 0.642 201 V HN 0.195 nan 8.190 nan 0.000 0.446 202 Q N 0.046 119.850 119.800 0.007 0.000 2.112 202 Q HA -0.221 4.120 4.340 0.002 0.000 0.206 202 Q C 1.749 177.697 176.000 -0.087 0.000 0.987 202 Q CA 1.702 57.498 55.803 -0.011 0.000 0.858 202 Q CB -0.519 28.227 28.738 0.013 0.000 0.905 202 Q HN 0.677 nan 8.270 nan 0.000 0.420 203 D N -0.622 119.677 120.400 -0.169 0.000 2.328 203 D HA 0.048 4.689 4.640 0.002 0.000 0.226 203 D C 0.816 176.884 176.300 -0.386 0.000 1.066 203 D CA 0.183 54.038 54.000 -0.241 0.000 0.861 203 D CB 0.230 40.891 40.800 -0.232 0.000 0.912 203 D HN 0.252 nan 8.370 nan 0.000 0.521 204 N N -0.363 118.055 118.700 -0.471 0.000 2.121 204 N HA -0.019 4.722 4.740 0.002 0.000 0.254 204 N C 1.511 176.921 175.510 -0.167 0.000 1.140 204 N CA -0.270 52.471 53.050 -0.515 0.000 0.785 204 N CB 0.620 38.346 38.487 -1.269 0.000 1.564 204 N HN -0.067 nan 8.380 nan 0.000 0.536 205 I N 3.090 123.592 120.570 -0.113 0.000 2.290 205 I HA -0.246 3.925 4.170 0.002 0.000 0.253 205 I C 2.182 178.421 176.117 0.202 0.000 1.112 205 I CA 1.089 62.478 61.300 0.148 0.000 1.377 205 I CB -0.386 37.673 38.000 0.098 0.000 1.060 205 I HN 0.183 nan 8.210 nan 0.000 0.428 206 A N -1.199 121.657 122.820 0.060 0.000 1.978 206 A HA -0.205 4.117 4.320 0.002 0.000 0.220 206 A C 2.347 179.930 177.584 -0.000 0.000 1.170 206 A CA 2.049 54.103 52.037 0.029 0.000 0.636 206 A CB -0.899 18.088 19.000 -0.021 0.000 0.810 206 A HN 0.465 nan 8.150 nan 0.000 0.448 207 S N -1.274 114.383 115.700 -0.072 0.000 2.607 207 S HA 0.139 4.610 4.470 0.002 0.000 0.224 207 S C 0.058 174.356 174.600 -0.504 0.000 0.969 207 S CA 0.335 58.356 58.200 -0.299 0.000 0.927 207 S CB -0.375 62.551 63.200 -0.456 0.000 0.772 207 S HN 0.546 nan 8.310 nan 0.000 0.533 208 F N 0.466 120.397 119.950 -0.032 0.000 2.850 208 F HA 0.387 4.916 4.527 0.003 0.000 0.329 208 F C 1.311 177.146 175.800 0.058 0.000 1.182 208 F CA -0.651 57.352 58.000 0.004 0.000 1.270 208 F CB 0.161 39.152 39.000 -0.015 0.000 0.979 208 F HN 0.121 nan 8.300 nan 0.000 0.506 209 G N 0.902 109.793 108.800 0.153 0.000 2.249 209 G HA2 -0.095 3.866 3.960 0.002 0.000 0.273 209 G HA3 -0.095 3.866 3.960 0.002 0.000 0.273 209 G C 0.402 175.381 174.900 0.132 0.000 1.036 209 G CA 0.058 45.234 45.100 0.126 0.000 0.824 209 G HN 0.827 nan 8.290 nan 0.000 0.504 210 G N -0.865 108.017 108.800 0.138 0.000 2.482 210 G HA2 0.528 4.489 3.960 0.002 0.000 0.317 210 G HA3 0.528 4.489 3.960 0.002 0.000 0.317 210 G C -0.500 174.452 174.900 0.086 0.000 1.241 210 G CA -0.540 44.632 45.100 0.120 0.000 0.967 210 G HN 0.459 nan 8.290 nan 0.000 0.482 211 N N 2.180 120.923 118.700 0.071 0.000 2.482 211 N HA 0.260 5.001 4.740 0.002 0.000 0.242 211 N C -0.952 174.599 175.510 0.068 0.000 1.100 211 N CA -2.399 50.680 53.050 0.048 0.000 0.946 211 N CB 1.547 40.048 38.487 0.022 0.000 1.227 211 N HN 0.137 nan 8.380 nan 0.000 0.508 212 P HA -0.065 nan 4.420 nan 0.000 0.229 212 P C 0.829 178.227 177.300 0.162 0.000 1.150 212 P CA 0.765 63.924 63.100 0.098 0.000 0.765 212 P CB 0.123 31.852 31.700 0.048 0.000 0.783 213 G N -0.857 107.979 108.800 0.061 0.000 2.939 213 G HA2 -0.011 3.950 3.960 0.002 0.000 0.210 213 G HA3 -0.011 3.950 3.960 0.002 0.000 0.210 213 G C 0.657 175.317 174.900 -0.400 0.000 1.160 213 G CA 0.149 45.197 45.100 -0.087 0.000 0.770 213 G HN 0.365 nan 8.290 nan 0.000 0.543 214 S N 0.483 116.159 115.700 -0.039 0.000 2.128 214 S HA 0.485 4.956 4.470 0.002 0.000 0.157 214 S C -0.590 174.163 174.600 0.255 0.000 1.650 214 S CA -0.458 57.765 58.200 0.037 0.000 1.269 214 S CB 0.119 63.297 63.200 -0.036 0.000 1.227 214 S HN -0.041 nan 8.310 nan 0.000 0.405 215 V N 2.870 123.107 119.914 0.537 0.000 2.481 215 V HA 0.587 4.708 4.120 0.002 0.000 0.286 215 V C 0.198 176.411 176.094 0.197 0.000 1.042 215 V CA -0.413 62.035 62.300 0.248 0.000 0.928 215 V CB 1.697 33.612 31.823 0.153 0.000 0.986 215 V HN 0.652 nan 8.190 nan 0.000 0.462 216 T N 5.676 120.318 114.554 0.148 0.000 2.840 216 T HA 0.612 4.963 4.350 0.002 0.000 0.287 216 T C -0.313 174.491 174.700 0.174 0.000 0.991 216 T CA -0.242 61.935 62.100 0.128 0.000 0.964 216 T CB 1.125 70.012 68.868 0.033 0.000 0.954 216 T HN 0.647 nan 8.240 nan 0.000 0.438 217 I N 1.051 121.705 120.570 0.139 0.000 2.437 217 I HA 0.916 5.087 4.170 0.002 0.000 0.298 217 I C -1.071 175.239 176.117 0.323 0.000 0.984 217 I CA -1.097 60.294 61.300 0.151 0.000 1.214 217 I CB 1.163 39.026 38.000 -0.228 0.000 1.365 217 I HN 0.535 nan 8.210 nan 0.000 0.469 218 F N 2.730 122.717 119.950 0.062 0.000 2.604 218 F HA 0.943 5.471 4.527 0.002 0.000 0.316 218 F C -0.551 175.308 175.800 0.099 0.000 1.136 218 F CA -1.431 56.665 58.000 0.159 0.000 0.989 218 F CB 1.023 40.219 39.000 0.326 0.000 1.258 218 F HN 0.793 nan 8.300 nan 0.000 0.451 219 G N 1.394 110.111 108.800 -0.139 0.000 2.672 219 G HA2 0.548 4.509 3.960 0.002 0.000 0.292 219 G HA3 0.548 4.509 3.960 0.002 0.000 0.292 219 G C -2.258 172.458 174.900 -0.306 0.000 1.375 219 G CA -0.784 43.907 45.100 -0.681 0.000 0.890 219 G HN 0.775 nan 8.290 nan 0.000 0.476 220 E N 0.416 120.348 120.200 -0.446 0.000 2.199 220 E HA 0.583 4.934 4.350 0.002 0.000 0.269 220 E C 0.621 177.244 176.600 0.039 0.000 0.899 220 E CA 0.123 56.519 56.400 -0.007 0.000 0.772 220 E CB 1.893 31.731 29.700 0.229 0.000 1.155 220 E HN 0.690 nan 8.360 nan 0.000 0.408 221 S N 3.176 118.978 115.700 0.171 0.000 4.116 221 S HA -0.390 4.081 4.470 0.002 0.000 0.623 221 S C 1.466 176.157 174.600 0.152 0.000 1.933 221 S CA 2.016 60.404 58.200 0.313 0.000 4.224 221 S CB -1.565 61.916 63.200 0.467 0.000 0.208 221 S HN 0.953 nan 8.310 nan 0.000 0.527 222 A N 0.961 123.854 122.820 0.121 0.000 2.032 222 A HA 0.095 4.416 4.320 0.002 0.000 0.221 222 A C 2.436 179.984 177.584 -0.061 0.000 1.165 222 A CA 2.586 54.636 52.037 0.021 0.000 0.645 222 A CB -1.561 17.451 19.000 0.019 0.000 0.807 222 A HN 1.591 nan 8.150 nan 0.000 0.453 223 G N -0.743 107.980 108.800 -0.128 0.000 2.394 223 G HA2 0.096 4.057 3.960 0.002 0.000 0.215 223 G HA3 0.096 4.057 3.960 0.002 0.000 0.215 223 G C 1.502 176.243 174.900 -0.265 0.000 1.165 223 G CA 1.099 46.004 45.100 -0.325 0.000 0.784 223 G HN 0.669 nan 8.290 nan 0.000 0.535 224 G N 0.413 109.131 108.800 -0.136 0.000 2.422 224 G HA2 -0.177 3.784 3.960 0.002 0.000 0.218 224 G HA3 -0.177 3.784 3.960 0.002 0.000 0.218 224 G C 1.557 176.428 174.900 -0.047 0.000 1.146 224 G CA 1.161 46.233 45.100 -0.047 0.000 0.769 224 G HN 0.453 nan 8.290 nan 0.000 0.547 225 E N 0.936 121.108 120.200 -0.046 0.000 2.077 225 E HA -0.123 4.228 4.350 0.002 0.000 0.193 225 E C 2.583 179.096 176.600 -0.146 0.000 0.989 225 E CA 1.303 57.661 56.400 -0.070 0.000 0.800 225 E CB -0.286 29.378 29.700 -0.059 0.000 0.746 225 E HN 0.342 nan 8.360 nan 0.000 0.452 226 S N 0.367 115.967 115.700 -0.167 0.000 2.365 226 S HA -0.162 4.309 4.470 0.002 0.000 0.225 226 S C 2.161 176.563 174.600 -0.330 0.000 1.039 226 S CA 1.437 59.479 58.200 -0.263 0.000 1.033 226 S CB -0.396 62.647 63.200 -0.263 0.000 0.887 226 S HN 0.172 nan 8.310 nan 0.000 0.447 227 V N 1.232 120.973 119.914 -0.289 0.000 2.332 227 V HA -0.176 3.945 4.120 0.002 0.000 0.248 227 V C 2.550 178.445 176.094 -0.331 0.000 1.055 227 V CA 2.048 64.148 62.300 -0.332 0.000 1.038 227 V CB -0.886 30.807 31.823 -0.218 0.000 0.651 227 V HN 0.545 nan 8.190 nan 0.000 0.450 228 S N -0.783 114.800 115.700 -0.195 0.000 2.399 228 S HA -0.137 4.334 4.470 0.002 0.000 0.231 228 S C 1.890 176.353 174.600 -0.228 0.000 1.022 228 S CA 1.533 59.641 58.200 -0.153 0.000 0.983 228 S CB -0.118 63.084 63.200 0.003 0.000 0.803 228 S HN 0.351 nan 8.310 nan 0.000 0.480 229 V N 1.769 121.519 119.914 -0.273 0.000 2.323 229 V HA -0.064 4.058 4.120 0.002 0.000 0.244 229 V C 2.314 178.232 176.094 -0.293 0.000 1.041 229 V CA 1.508 63.621 62.300 -0.311 0.000 1.025 229 V CB -0.595 30.947 31.823 -0.468 0.000 0.656 229 V HN 0.453 nan 8.190 nan 0.000 0.451 230 L N -0.286 120.748 121.223 -0.314 0.000 2.042 230 L HA -0.176 4.165 4.340 0.002 0.000 0.210 230 L C 2.463 179.305 176.870 -0.047 0.000 1.076 230 L CA 1.189 55.901 54.840 -0.214 0.000 0.749 230 L CB -0.684 41.159 42.059 -0.360 0.000 0.893 230 L HN 0.199 nan 8.230 nan 0.000 0.432 231 V N -0.003 119.840 119.914 -0.117 0.000 2.469 231 V HA -0.275 3.847 4.120 0.002 0.000 0.251 231 V C 2.225 178.178 176.094 -0.234 0.000 1.064 231 V CA 1.563 63.853 62.300 -0.016 0.000 1.066 231 V CB -0.310 31.341 31.823 -0.286 0.000 0.667 231 V HN 0.382 nan 8.190 nan 0.000 0.461 232 L N -0.929 120.100 121.223 -0.324 0.000 2.307 232 L HA 0.098 4.439 4.340 0.002 0.000 0.211 232 L C 1.491 178.211 176.870 -0.249 0.000 1.099 232 L CA 0.286 54.858 54.840 -0.446 0.000 0.816 232 L CB -0.115 41.738 42.059 -0.344 0.000 0.952 232 L HN 0.253 nan 8.230 nan 0.000 0.455 233 S N -0.125 115.486 115.700 -0.148 0.000 2.562 233 S HA 0.111 4.582 4.470 0.002 0.000 0.281 233 S C -1.553 173.038 174.600 -0.015 0.000 1.333 233 S CA -1.153 57.001 58.200 -0.077 0.000 1.052 233 S CB 1.128 64.285 63.200 -0.072 0.000 0.884 233 S HN -0.090 nan 8.310 nan 0.000 0.506 234 P HA 0.058 nan 4.420 nan 0.000 0.218 234 P C 1.276 178.586 177.300 0.017 0.000 1.152 234 P CA 0.731 63.838 63.100 0.012 0.000 0.826 234 P CB 0.061 31.763 31.700 0.004 0.000 0.790 235 L N -0.770 120.463 121.223 0.016 0.000 2.083 235 L HA -0.132 4.209 4.340 0.002 0.000 0.209 235 L C 2.320 179.221 176.870 0.051 0.000 1.083 235 L CA 1.587 56.444 54.840 0.028 0.000 0.752 235 L CB -1.286 40.789 42.059 0.028 0.000 0.899 235 L HN -0.053 nan 8.230 nan 0.000 0.433 236 A N -0.222 122.644 122.820 0.076 0.000 2.168 236 A HA -0.119 4.202 4.320 0.002 0.000 0.215 236 A C 1.273 178.946 177.584 0.149 0.000 1.152 236 A CA 0.181 52.315 52.037 0.161 0.000 0.716 236 A CB -0.395 18.755 19.000 0.249 0.000 0.794 236 A HN 0.260 nan 8.150 nan 0.000 0.465 237 K N 1.085 121.530 120.400 0.076 0.000 2.504 237 K HA -0.103 4.218 4.320 0.002 0.000 0.278 237 K C -0.185 176.409 176.600 -0.011 0.000 1.025 237 K CA 0.724 57.032 56.287 0.035 0.000 1.093 237 K CB -0.121 32.346 32.500 -0.055 0.000 0.873 237 K HN 0.515 nan 8.250 nan 0.000 0.483 238 N N 2.197 120.894 118.700 -0.006 0.000 2.878 238 N HA -0.215 4.526 4.740 0.002 0.000 0.247 238 N C 0.281 175.736 175.510 -0.092 0.000 1.021 238 N CA 1.011 54.043 53.050 -0.029 0.000 0.873 238 N CB -0.941 37.536 38.487 -0.017 0.000 1.128 238 N HN 0.588 nan 8.380 nan 0.000 0.571 239 L N -0.630 120.536 121.223 -0.094 0.000 2.616 239 L HA 0.246 4.587 4.340 0.002 0.000 0.229 239 L C 0.331 177.203 176.870 0.004 0.000 1.110 239 L CA 0.294 55.141 54.840 0.013 0.000 0.884 239 L CB 0.015 42.161 42.059 0.145 0.000 1.115 239 L HN 0.157 nan 8.230 nan 0.000 0.481 240 F N -4.188 115.539 119.950 -0.372 0.000 2.686 240 F HA 0.472 5.000 4.527 0.002 0.000 0.311 240 F C 0.363 175.782 175.800 -0.636 0.000 1.128 240 F CA -1.005 56.716 58.000 -0.464 0.000 0.946 240 F CB 0.794 39.674 39.000 -0.200 0.000 1.336 240 F HN -0.123 nan 8.300 nan 0.000 0.457 241 H N -0.017 119.069 119.070 0.027 0.000 3.058 241 H HA 0.423 4.980 4.556 0.002 0.000 0.266 241 H C -0.601 174.674 175.328 -0.088 0.000 1.135 241 H CA -0.164 55.810 56.048 -0.123 0.000 1.174 241 H CB 0.733 30.442 29.762 -0.088 0.000 1.581 241 H HN 0.536 nan 8.280 nan 0.000 0.553 242 R N 0.522 121.108 120.500 0.143 0.000 2.561 242 R HA 0.674 5.015 4.340 0.002 0.000 0.266 242 R C -1.359 175.084 176.300 0.239 0.000 1.091 242 R CA -0.630 55.502 56.100 0.052 0.000 0.927 242 R CB 2.260 32.398 30.300 -0.270 0.000 1.240 242 R HN 0.071 nan 8.270 nan 0.000 0.449 243 A N 3.267 126.267 122.820 0.300 0.000 2.374 243 A HA 0.869 5.191 4.320 0.002 0.000 0.317 243 A C -0.733 177.091 177.584 0.400 0.000 1.094 243 A CA -0.797 51.358 52.037 0.198 0.000 0.765 243 A CB 1.166 20.066 19.000 -0.166 0.000 1.268 243 A HN 0.670 nan 8.150 nan 0.000 0.438 244 I N 1.454 122.196 120.570 0.287 0.000 2.529 244 I HA 0.217 4.388 4.170 0.002 0.000 0.284 244 I C -0.393 175.886 176.117 0.270 0.000 1.088 244 I CA -0.060 61.373 61.300 0.221 0.000 1.062 244 I CB 2.195 40.242 38.000 0.077 0.000 1.218 244 I HN 0.483 nan 8.210 nan 0.000 0.442 245 S N 5.324 121.174 115.700 0.249 0.000 2.422 245 S HA 0.381 4.853 4.470 0.002 0.000 0.308 245 S C -0.422 174.269 174.600 0.153 0.000 1.097 245 S CA -0.605 57.704 58.200 0.181 0.000 1.099 245 S CB 0.854 64.158 63.200 0.174 0.000 0.976 245 S HN 0.462 nan 8.310 nan 0.000 0.471 246 E N 1.686 122.025 120.200 0.230 0.000 2.133 246 E HA 0.358 4.710 4.350 0.002 0.000 0.274 246 E C -0.381 176.331 176.600 0.185 0.000 0.930 246 E CA -0.591 55.979 56.400 0.283 0.000 0.770 246 E CB 1.175 31.140 29.700 0.441 0.000 1.104 246 E HN 0.595 nan 8.360 nan 0.000 0.403 247 S N 1.937 117.720 115.700 0.138 0.000 3.608 247 S HA -0.141 4.330 4.470 0.002 0.000 0.382 247 S C 0.050 174.903 174.600 0.421 0.000 0.945 247 S CA 0.588 58.896 58.200 0.179 0.000 1.256 247 S CB -1.148 62.081 63.200 0.047 0.000 0.913 247 S HN 0.967 nan 8.310 nan 0.000 0.518 248 G N -1.046 107.957 108.800 0.338 0.000 2.146 248 G HA2 0.485 4.447 3.960 0.002 0.000 0.261 248 G HA3 0.485 4.447 3.960 0.002 0.000 0.261 248 G C -0.799 174.157 174.900 0.094 0.000 1.745 248 G CA 0.043 45.300 45.100 0.260 0.000 0.905 248 G HN 1.490 nan 8.290 nan 0.000 0.746 249 V N -0.670 119.258 119.914 0.023 0.000 3.105 249 V HA 0.948 5.069 4.120 0.002 0.000 0.311 249 V C 1.307 177.367 176.094 -0.057 0.000 1.287 249 V CA -0.054 62.242 62.300 -0.007 0.000 1.066 249 V CB 1.246 33.063 31.823 -0.009 0.000 1.105 249 V HN 2.161 nan 8.190 nan 0.000 0.462 250 A N -0.501 122.282 122.820 -0.061 0.000 2.239 250 A HA 0.288 4.610 4.320 0.002 0.000 0.209 250 A C 1.417 178.940 177.584 -0.102 0.000 1.171 250 A CA 1.060 53.041 52.037 -0.094 0.000 0.768 250 A CB -0.759 18.177 19.000 -0.105 0.000 0.790 250 A HN 0.786 nan 8.150 nan 0.000 0.478 251 L N -0.514 120.648 121.223 -0.101 0.000 2.667 251 L HA 0.073 4.414 4.340 0.002 0.000 0.232 251 L C 0.261 177.025 176.870 -0.176 0.000 1.138 251 L CA 0.039 54.805 54.840 -0.123 0.000 0.921 251 L CB 0.123 42.126 42.059 -0.094 0.000 1.180 251 L HN 0.102 nan 8.230 nan 0.000 0.487 252 T N 0.164 114.601 114.554 -0.196 0.000 4.219 252 T HA 0.031 4.382 4.350 0.002 0.000 0.263 252 T C 1.497 176.037 174.700 -0.266 0.000 1.217 252 T CA 0.027 61.956 62.100 -0.286 0.000 1.145 252 T CB 0.171 68.850 68.868 -0.314 0.000 1.298 252 T HN 0.232 nan 8.240 nan 0.000 0.999 253 S N 1.698 117.240 115.700 -0.262 0.000 2.502 253 S HA -0.236 4.236 4.470 0.002 0.000 0.288 253 S C 2.259 176.723 174.600 -0.227 0.000 1.186 253 S CA 1.710 59.761 58.200 -0.249 0.000 1.182 253 S CB -0.823 62.199 63.200 -0.297 0.000 1.135 253 S HN 0.615 nan 8.310 nan 0.000 0.442 254 V N 1.239 121.005 119.914 -0.246 0.000 2.546 254 V HA -0.151 3.970 4.120 0.002 0.000 0.254 254 V C 1.665 177.663 176.094 -0.161 0.000 1.076 254 V CA 1.915 64.096 62.300 -0.199 0.000 1.087 254 V CB -0.402 31.305 31.823 -0.193 0.000 0.674 254 V HN 0.543 nan 8.190 nan 0.000 0.470 255 L N -0.709 120.413 121.223 -0.168 0.000 2.529 255 L HA 0.205 4.547 4.340 0.002 0.000 0.223 255 L C 0.330 177.117 176.870 -0.138 0.000 1.113 255 L CA 0.009 54.757 54.840 -0.154 0.000 0.861 255 L CB 0.510 42.486 42.059 -0.140 0.000 1.012 255 L HN 0.092 nan 8.230 nan 0.000 0.461 256 V N 1.015 120.851 119.914 -0.130 0.000 2.409 256 V HA 0.288 4.409 4.120 0.002 0.000 0.291 256 V C -0.314 175.719 176.094 -0.102 0.000 1.020 256 V CA -0.921 61.316 62.300 -0.104 0.000 0.848 256 V CB 1.642 33.403 31.823 -0.104 0.000 0.990 256 V HN 0.009 nan 8.190 nan 0.000 0.430 257 K N 5.472 125.825 120.400 -0.079 0.000 2.267 257 K HA 0.369 4.690 4.320 0.002 0.000 0.282 257 K C -0.173 176.387 176.600 -0.067 0.000 1.078 257 K CA -0.357 55.887 56.287 -0.071 0.000 0.903 257 K CB 1.182 33.650 32.500 -0.054 0.000 1.111 257 K HN 0.782 nan 8.250 nan 0.000 0.475 258 K N 0.831 121.189 120.400 -0.071 0.000 2.244 258 K HA 0.747 5.069 4.320 0.002 0.000 0.260 258 K C 0.091 176.662 176.600 -0.049 0.000 0.951 258 K CA -0.857 55.393 56.287 -0.063 0.000 0.826 258 K CB 1.568 34.024 32.500 -0.073 0.000 1.108 258 K HN 0.588 nan 8.250 nan 0.000 0.433 259 G N 1.614 110.389 108.800 -0.041 0.000 2.371 259 G HA2 -0.126 3.835 3.960 0.002 0.000 0.663 259 G HA3 -0.126 3.835 3.960 0.002 0.000 0.663 259 G C -1.751 173.130 174.900 -0.032 0.000 1.311 259 G CA -0.883 44.199 45.100 -0.030 0.000 0.985 259 G HN 0.755 nan 8.290 nan 0.000 0.566 260 D N 0.080 120.465 120.400 -0.025 0.000 2.389 260 D HA 0.283 4.925 4.640 0.002 0.000 0.263 260 D C 1.847 178.126 176.300 -0.036 0.000 1.255 260 D CA 0.698 54.681 54.000 -0.029 0.000 0.914 260 D CB 1.155 41.943 40.800 -0.020 0.000 1.116 260 D HN 1.249 nan 8.370 nan 0.000 0.502 261 V N 2.179 122.061 119.914 -0.053 0.000 3.541 261 V HA 0.043 4.165 4.120 0.002 0.000 0.267 261 V C 2.086 178.131 176.094 -0.081 0.000 1.213 261 V CA 0.516 62.774 62.300 -0.069 0.000 1.149 261 V CB -0.354 31.410 31.823 -0.097 0.000 0.822 261 V HN 0.278 nan 8.190 nan 0.000 0.462 262 K N 2.128 122.487 120.400 -0.068 0.000 2.059 262 K HA -0.091 4.230 4.320 0.002 0.000 0.212 262 K C -0.100 176.474 176.600 -0.043 0.000 1.050 262 K CA 2.485 58.734 56.287 -0.063 0.000 0.927 262 K CB -1.738 30.740 32.500 -0.037 0.000 0.714 262 K HN 0.444 nan 8.250 nan 0.000 0.447 263 P HA -0.192 nan 4.420 nan 0.000 0.215 263 P C 1.435 178.732 177.300 -0.005 0.000 1.157 263 P CA 1.168 64.260 63.100 -0.012 0.000 0.874 263 P CB -0.011 31.684 31.700 -0.009 0.000 0.790 264 L N -1.224 119.993 121.223 -0.010 0.000 2.056 264 L HA -0.156 4.185 4.340 0.002 0.000 0.207 264 L C 2.188 179.078 176.870 0.033 0.000 1.078 264 L CA 1.745 56.594 54.840 0.015 0.000 0.749 264 L CB -0.899 41.172 42.059 0.021 0.000 0.901 264 L HN -0.047 nan 8.230 nan 0.000 0.433 265 A N 0.006 122.806 122.820 -0.033 0.000 1.873 265 A HA -0.288 4.033 4.320 0.002 0.000 0.218 265 A C 1.998 179.653 177.584 0.118 0.000 1.193 265 A CA 2.054 54.075 52.037 -0.026 0.000 0.629 265 A CB -0.658 18.203 19.000 -0.231 0.000 0.826 265 A HN 0.565 nan 8.150 nan 0.000 0.447 266 E N -0.620 119.610 120.200 0.049 0.000 2.118 266 E HA -0.230 4.122 4.350 0.002 0.000 0.195 266 E C 2.353 178.981 176.600 0.047 0.000 0.992 266 E CA 1.288 57.717 56.400 0.049 0.000 0.804 266 E CB -0.179 29.533 29.700 0.020 0.000 0.741 266 E HN 0.690 nan 8.360 nan 0.000 0.458 267 Q N 0.326 120.150 119.800 0.040 0.000 2.020 267 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 267 Q C 2.412 178.435 176.000 0.039 0.000 0.982 267 Q CA 1.093 56.910 55.803 0.024 0.000 0.838 267 Q CB -0.133 28.610 28.738 0.009 0.000 0.899 267 Q HN 0.366 nan 8.270 nan 0.000 0.423 268 I N 0.771 121.393 120.570 0.087 0.000 2.127 268 I HA -0.323 3.848 4.170 0.002 0.000 0.241 268 I C 2.518 178.671 176.117 0.061 0.000 1.075 268 I CA 1.128 62.492 61.300 0.107 0.000 1.334 268 I CB -0.564 37.575 38.000 0.232 0.000 1.040 268 I HN 0.155 nan 8.210 nan 0.000 0.405 269 A N 1.139 124.010 122.820 0.085 0.000 1.892 269 A HA -0.225 4.096 4.320 0.002 0.000 0.218 269 A C 2.300 179.888 177.584 0.006 0.000 1.188 269 A CA 1.834 53.889 52.037 0.029 0.000 0.631 269 A CB -0.930 18.107 19.000 0.062 0.000 0.822 269 A HN 0.431 nan 8.150 nan 0.000 0.447 270 I N -0.598 119.980 120.570 0.014 0.000 2.226 270 I HA -0.212 3.959 4.170 0.002 0.000 0.245 270 I C 2.513 178.626 176.117 -0.007 0.000 1.100 270 I CA 1.767 63.068 61.300 0.002 0.000 1.374 270 I CB -0.816 37.185 38.000 0.002 0.000 1.057 270 I HN 0.270 nan 8.210 nan 0.000 0.413 271 T N 0.886 115.436 114.554 -0.007 0.000 2.833 271 T HA -0.126 4.225 4.350 0.002 0.000 0.269 271 T C 1.831 176.521 174.700 -0.016 0.000 1.054 271 T CA 1.407 63.499 62.100 -0.014 0.000 1.135 271 T CB -0.234 68.623 68.868 -0.018 0.000 0.869 271 T HN 0.483 nan 8.240 nan 0.000 0.466 272 A N 0.377 123.185 122.820 -0.021 0.000 2.208 272 A HA 0.516 4.838 4.320 0.002 0.000 0.209 272 A C 1.720 179.286 177.584 -0.029 0.000 1.161 272 A CA 0.673 52.691 52.037 -0.032 0.000 0.782 272 A CB -0.581 18.384 19.000 -0.059 0.000 0.816 272 A HN 0.791 nan 8.150 nan 0.000 0.477 273 G N -1.690 107.097 108.800 -0.021 0.000 2.255 273 G HA2 -0.181 3.780 3.960 0.002 0.000 0.239 273 G HA3 -0.181 3.780 3.960 0.002 0.000 0.239 273 G C -0.099 174.790 174.900 -0.018 0.000 1.083 273 G CA -0.091 44.999 45.100 -0.018 0.000 0.826 273 G HN 0.584 nan 8.290 nan 0.000 0.493 274 c N -0.276 118.314 118.600 -0.017 0.000 2.529 274 c HA 0.726 5.297 4.570 0.002 0.000 0.329 274 c C 0.896 174.984 174.090 -0.003 0.000 1.194 274 c CA -0.954 55.367 56.329 -0.014 0.000 1.779 274 c CB 1.586 44.080 42.510 -0.026 0.000 2.322 274 c HN 0.599 nan 8.230 nan 0.000 0.500 275 K N 0.654 121.055 120.400 0.002 0.000 2.219 275 K HA 0.334 4.655 4.320 0.002 0.000 0.258 275 K C 0.812 177.416 176.600 0.008 0.000 1.008 275 K CA 0.255 56.544 56.287 0.005 0.000 0.928 275 K CB 0.474 32.979 32.500 0.008 0.000 0.983 275 K HN 0.866 nan 8.250 nan 0.000 0.484 276 T N -2.680 111.878 114.554 0.007 0.000 3.296 276 T HA 0.064 4.415 4.350 0.002 0.000 0.285 276 T C 0.918 175.619 174.700 0.002 0.000 1.014 276 T CA -0.434 61.672 62.100 0.010 0.000 0.920 276 T CB -0.015 68.861 68.868 0.012 0.000 1.143 276 T HN 0.477 nan 8.240 nan 0.000 0.522 277 T N 2.592 117.144 114.554 -0.003 0.000 2.653 277 T HA -0.066 4.285 4.350 0.002 0.000 0.268 277 T C 1.212 175.902 174.700 -0.017 0.000 1.035 277 T CA 2.036 64.130 62.100 -0.010 0.000 1.154 277 T CB -0.540 68.321 68.868 -0.012 0.000 0.862 277 T HN 0.876 nan 8.240 nan 0.000 0.441 278 T N -2.672 111.865 114.554 -0.028 0.000 2.762 278 T HA 0.521 4.873 4.350 0.002 0.000 0.301 278 T C 0.930 175.594 174.700 -0.060 0.000 1.299 278 T CA -0.318 61.753 62.100 -0.048 0.000 1.005 278 T CB 1.624 70.443 68.868 -0.081 0.000 1.377 278 T HN -0.158 nan 8.240 nan 0.000 0.504 279 S N 0.463 116.115 115.700 -0.080 0.000 2.343 279 S HA -0.012 4.460 4.470 0.002 0.000 0.219 279 S C 2.559 177.078 174.600 -0.135 0.000 1.033 279 S CA 1.463 59.630 58.200 -0.055 0.000 1.014 279 S CB -1.136 62.083 63.200 0.032 0.000 0.915 279 S HN 1.001 nan 8.310 nan 0.000 0.435 280 A N 0.921 123.461 122.820 -0.467 0.000 1.997 280 A HA -0.121 4.200 4.320 0.002 0.000 0.221 280 A C 2.314 179.828 177.584 -0.116 0.000 1.172 280 A CA 1.702 53.481 52.037 -0.431 0.000 0.645 280 A CB -0.947 17.646 19.000 -0.678 0.000 0.813 280 A HN 0.351 nan 8.150 nan 0.000 0.454 281 V N -0.388 119.472 119.914 -0.090 0.000 2.379 281 V HA -0.279 3.843 4.120 0.002 0.000 0.245 281 V C 2.625 178.745 176.094 0.045 0.000 1.044 281 V CA 2.138 64.436 62.300 -0.004 0.000 1.036 281 V CB -0.532 31.280 31.823 -0.018 0.000 0.664 281 V HN 0.602 nan 8.190 nan 0.000 0.453 282 M N -0.740 118.876 119.600 0.026 0.000 2.067 282 M HA -0.167 4.314 4.480 0.002 0.000 0.260 282 M C 2.213 178.516 176.300 0.005 0.000 1.069 282 M CA 1.799 57.121 55.300 0.037 0.000 1.117 282 M CB -0.596 32.061 32.600 0.095 0.000 1.334 282 M HN 0.253 nan 8.290 nan 0.000 0.407 283 V N -0.262 119.679 119.914 0.045 0.000 2.252 283 V HA -0.331 3.791 4.120 0.002 0.000 0.249 283 V C 2.275 178.390 176.094 0.036 0.000 1.056 283 V CA 2.555 64.853 62.300 -0.003 0.000 1.022 283 V CB -1.265 30.623 31.823 0.107 0.000 0.641 283 V HN 0.489 nan 8.190 nan 0.000 0.445 284 H N -0.289 118.778 119.070 -0.005 0.000 2.251 284 H HA -0.254 4.303 4.556 0.002 0.000 0.294 284 H C 2.450 177.773 175.328 -0.008 0.000 1.078 284 H CA 2.477 58.526 56.048 0.002 0.000 1.246 284 H CB -0.935 28.821 29.762 -0.009 0.000 1.358 284 H HN 0.431 nan 8.280 nan 0.000 0.488 285 c N 0.231 118.793 118.600 -0.063 0.000 2.375 285 c HA -0.199 4.372 4.570 0.002 0.000 0.274 285 c C 2.949 176.949 174.090 -0.151 0.000 1.190 285 c CA 1.550 57.805 56.329 -0.123 0.000 1.775 285 c CB -1.543 40.949 42.510 -0.031 0.000 2.067 285 c HN 0.666 nan 8.230 nan 0.000 0.463 286 L N -0.000 121.147 121.223 -0.125 0.000 2.093 286 L HA -0.107 4.235 4.340 0.002 0.000 0.208 286 L C 3.003 179.849 176.870 -0.040 0.000 1.085 286 L CA 1.462 56.237 54.840 -0.108 0.000 0.755 286 L CB -0.703 41.221 42.059 -0.225 0.000 0.904 286 L HN 0.364 nan 8.230 nan 0.000 0.435 287 R N -0.306 120.177 120.500 -0.028 0.000 2.152 287 R HA -0.151 4.190 4.340 0.002 0.000 0.232 287 R C 2.138 178.358 176.300 -0.134 0.000 1.117 287 R CA 0.842 56.903 56.100 -0.066 0.000 0.981 287 R CB -0.153 30.117 30.300 -0.049 0.000 0.870 287 R HN 0.451 nan 8.270 nan 0.000 0.451 288 Q N 0.694 120.380 119.800 -0.191 0.000 2.311 288 Q HA 0.026 4.367 4.340 0.002 0.000 0.203 288 Q C 0.348 176.287 176.000 -0.101 0.000 0.954 288 Q CA 0.802 56.506 55.803 -0.165 0.000 0.885 288 Q CB 0.075 28.687 28.738 -0.210 0.000 0.963 288 Q HN 0.058 nan 8.270 nan 0.000 0.471 289 K N 2.163 122.507 120.400 -0.092 0.000 2.355 289 K HA 0.074 4.395 4.320 0.002 0.000 0.270 289 K C 0.529 177.109 176.600 -0.034 0.000 1.003 289 K CA 0.109 56.359 56.287 -0.061 0.000 0.957 289 K CB 0.296 32.754 32.500 -0.070 0.000 0.939 289 K HN 0.213 nan 8.250 nan 0.000 0.482 290 T N -2.202 112.346 114.554 -0.008 0.000 2.882 290 T HA 0.056 4.407 4.350 0.002 0.000 0.287 290 T C 1.341 176.086 174.700 0.076 0.000 1.014 290 T CA -0.606 61.506 62.100 0.019 0.000 1.049 290 T CB 1.207 70.084 68.868 0.014 0.000 1.001 290 T HN 0.630 nan 8.240 nan 0.000 0.525 291 E N 0.760 121.030 120.200 0.117 0.000 2.070 291 E HA -0.288 4.063 4.350 0.002 0.000 0.197 291 E C 1.692 178.441 176.600 0.249 0.000 1.004 291 E CA 1.894 58.446 56.400 0.253 0.000 0.805 291 E CB -0.148 29.614 29.700 0.103 0.000 0.744 291 E HN 0.816 nan 8.360 nan 0.000 0.451 292 E N 0.709 120.981 120.200 0.121 0.000 2.085 292 E HA -0.194 4.158 4.350 0.002 0.000 0.194 292 E C 1.973 178.631 176.600 0.097 0.000 0.994 292 E CA 1.510 57.969 56.400 0.099 0.000 0.801 292 E CB -0.105 29.624 29.700 0.048 0.000 0.743 292 E HN 0.386 nan 8.360 nan 0.000 0.453 293 E N 0.067 120.308 120.200 0.068 0.000 2.085 293 E HA -0.178 4.174 4.350 0.002 0.000 0.194 293 E C 1.989 178.610 176.600 0.035 0.000 0.994 293 E CA 0.907 57.329 56.400 0.036 0.000 0.801 293 E CB -0.098 29.608 29.700 0.009 0.000 0.743 293 E HN 0.254 nan 8.360 nan 0.000 0.453 294 L N 0.269 121.523 121.223 0.051 0.000 2.131 294 L HA -0.118 4.224 4.340 0.002 0.000 0.206 294 L C 2.443 179.356 176.870 0.071 0.000 1.087 294 L CA 0.183 54.992 54.840 -0.052 0.000 0.767 294 L CB -0.218 41.669 42.059 -0.287 0.000 0.917 294 L HN 0.207 nan 8.230 nan 0.000 0.441 295 L N 0.134 121.549 121.223 0.320 0.000 2.141 295 L HA -0.174 4.167 4.340 0.002 0.000 0.209 295 L C 2.270 179.251 176.870 0.184 0.000 1.094 295 L CA 1.706 56.767 54.840 0.368 0.000 0.763 295 L CB -0.495 41.739 42.059 0.292 0.000 0.908 295 L HN 0.205 nan 8.230 nan 0.000 0.437 296 E N -1.408 118.863 120.200 0.119 0.000 2.106 296 E HA -0.169 4.183 4.350 0.002 0.000 0.192 296 E C 1.806 178.442 176.600 0.061 0.000 0.984 296 E CA 1.468 57.912 56.400 0.074 0.000 0.806 296 E CB 0.071 29.800 29.700 0.048 0.000 0.750 296 E HN 0.546 nan 8.360 nan 0.000 0.458 297 T N -0.017 114.567 114.554 0.050 0.000 2.777 297 T HA -0.113 4.239 4.350 0.002 0.000 0.266 297 T C 1.845 176.595 174.700 0.084 0.000 1.040 297 T CA 1.522 63.643 62.100 0.035 0.000 1.141 297 T CB -0.400 68.468 68.868 0.001 0.000 0.868 297 T HN 0.204 nan 8.240 nan 0.000 0.444 298 T N 3.157 117.799 114.554 0.146 0.000 2.607 298 T HA -0.070 4.281 4.350 0.002 0.000 0.267 298 T C 2.005 176.843 174.700 0.231 0.000 1.049 298 T CA 1.156 63.433 62.100 0.296 0.000 1.162 298 T CB -0.725 68.324 68.868 0.301 0.000 0.863 298 T HN 0.253 nan 8.240 nan 0.000 0.424 299 L N 0.554 121.870 121.223 0.155 0.000 2.043 299 L HA -0.206 4.135 4.340 0.002 0.000 0.212 299 L C 2.725 179.616 176.870 0.036 0.000 1.075 299 L CA 1.632 56.531 54.840 0.098 0.000 0.752 299 L CB -0.622 41.481 42.059 0.073 0.000 0.891 299 L HN 0.283 nan 8.230 nan 0.000 0.432 300 K N -0.690 119.719 120.400 0.016 0.000 2.097 300 K HA -0.132 4.190 4.320 0.002 0.000 0.206 300 K C 2.050 178.591 176.600 -0.099 0.000 1.049 300 K CA 1.068 57.337 56.287 -0.030 0.000 0.933 300 K CB -0.099 32.387 32.500 -0.022 0.000 0.717 300 K HN 0.214 nan 8.250 nan 0.000 0.442 301 M N 0.953 120.457 119.600 -0.160 0.000 2.539 301 M HA -0.074 4.407 4.480 0.002 0.000 0.261 301 M C 0.036 176.019 176.300 -0.529 0.000 1.069 301 M CA 1.086 56.128 55.300 -0.429 0.000 1.081 301 M CB -0.679 31.465 32.600 -0.761 0.000 1.412 301 M HN 0.073 nan 8.290 nan 0.000 0.482 302 K N 0.460 120.700 120.400 -0.267 0.000 3.451 302 K HA -0.201 4.120 4.320 0.002 0.000 0.273 302 K C -0.314 176.194 176.600 -0.155 0.000 0.944 302 K CA 0.072 56.268 56.287 -0.151 0.000 0.734 302 K CB -1.850 30.577 32.500 -0.122 0.000 1.437 302 K HN 0.152 nan 8.250 nan 0.000 0.454 303 F N 0.073 120.032 119.950 0.014 0.000 2.173 303 F HA 0.184 4.713 4.527 0.002 0.000 0.280 303 F C 2.306 178.112 175.800 0.009 0.000 1.175 303 F CA 0.003 58.011 58.000 0.012 0.000 1.166 303 F CB 0.155 39.170 39.000 0.025 0.000 1.589 303 F HN 0.087 nan 8.300 nan 0.000 0.513 304 L N -0.627 120.751 121.223 0.258 0.000 4.396 304 L HA -0.327 4.014 4.340 0.002 0.000 0.440 304 L C -0.236 176.685 176.870 0.085 0.000 1.113 304 L CA 0.421 55.339 54.840 0.131 0.000 0.975 304 L CB -2.123 39.997 42.059 0.101 0.000 1.852 304 L HN 0.416 nan 8.230 nan 0.000 1.048 305 S N -0.618 115.125 115.700 0.071 0.000 2.549 305 S HA 0.620 5.091 4.470 0.002 0.000 0.280 305 S C -0.509 174.097 174.600 0.010 0.000 1.109 305 S CA -0.681 57.540 58.200 0.035 0.000 0.905 305 S CB 2.637 65.846 63.200 0.015 0.000 1.081 305 S HN 0.173 nan 8.310 nan 0.000 0.477 306 L N 3.561 124.774 121.223 -0.017 0.000 2.433 306 L HA 0.314 4.656 4.340 0.002 0.000 0.275 306 L C -0.267 176.546 176.870 -0.095 0.000 1.128 306 L CA 0.026 54.817 54.840 -0.082 0.000 0.875 306 L CB 0.151 42.069 42.059 -0.235 0.000 1.171 306 L HN 0.549 nan 8.230 nan 0.000 0.463 307 D N 4.494 124.844 120.400 -0.083 0.000 2.338 307 D HA 0.084 4.725 4.640 0.002 0.000 0.255 307 D C 0.671 176.917 176.300 -0.091 0.000 1.237 307 D CA 0.181 54.133 54.000 -0.079 0.000 0.883 307 D CB 0.702 41.457 40.800 -0.075 0.000 1.087 307 D HN 0.610 nan 8.370 nan 0.000 0.485 308 L N 2.655 123.831 121.223 -0.078 0.000 2.585 308 L HA 0.095 4.436 4.340 0.002 0.000 0.226 308 L C 0.557 177.403 176.870 -0.040 0.000 1.113 308 L CA 0.136 54.935 54.840 -0.068 0.000 0.876 308 L CB -0.123 41.898 42.059 -0.064 0.000 1.072 308 L HN 0.466 nan 8.230 nan 0.000 0.468 309 Q N 0.443 120.220 119.800 -0.039 0.000 2.397 309 Q HA 0.675 5.016 4.340 0.002 0.000 0.260 309 Q C -0.425 175.558 176.000 -0.027 0.000 1.002 309 Q CA -0.556 55.234 55.803 -0.022 0.000 0.716 309 Q CB 2.077 30.805 28.738 -0.017 0.000 1.258 309 Q HN 0.057 nan 8.270 nan 0.000 0.477 310 G N 1.415 110.202 108.800 -0.022 0.000 2.353 310 G HA2 -0.047 3.915 3.960 0.002 0.000 0.308 310 G HA3 -0.047 3.915 3.960 0.002 0.000 0.308 310 G C -1.842 173.035 174.900 -0.037 0.000 1.418 310 G CA -1.039 44.045 45.100 -0.026 0.000 0.966 310 G HN 0.497 nan 8.290 nan 0.000 0.638 311 D N 0.762 121.144 120.400 -0.030 0.000 2.434 311 D HA 0.224 4.865 4.640 0.002 0.000 0.252 311 D C -1.016 175.196 176.300 -0.148 0.000 1.185 311 D CA -1.089 52.885 54.000 -0.044 0.000 0.886 311 D CB 1.659 42.451 40.800 -0.013 0.000 1.148 311 D HN -0.017 nan 8.370 nan 0.000 0.483 312 P HA -0.055 nan 4.420 nan 0.000 0.225 312 P C 0.823 177.976 177.300 -0.246 0.000 1.148 312 P CA 0.865 63.707 63.100 -0.430 0.000 0.779 312 P CB 0.248 31.351 31.700 -0.996 0.000 0.780 313 R N -0.636 119.697 120.500 -0.279 0.000 2.297 313 R HA 0.058 4.399 4.340 0.002 0.000 0.197 313 R C 1.563 177.868 176.300 0.009 0.000 0.943 313 R CA 0.682 56.718 56.100 -0.107 0.000 1.038 313 R CB -0.076 30.082 30.300 -0.236 0.000 0.957 313 R HN 0.374 nan 8.270 nan 0.000 0.484 314 E N -0.003 120.179 120.200 -0.030 0.000 2.290 314 E HA 0.050 4.401 4.350 0.002 0.000 0.197 314 E C 0.233 176.820 176.600 -0.021 0.000 0.948 314 E CA -0.103 56.287 56.400 -0.017 0.000 0.895 314 E CB 0.373 30.057 29.700 -0.027 0.000 0.865 314 E HN -0.055 nan 8.360 nan 0.000 0.486 315 S N 1.459 117.136 115.700 -0.038 0.000 2.575 315 S HA -0.076 4.395 4.470 0.002 0.000 0.295 315 S C -0.102 174.487 174.600 -0.019 0.000 1.267 315 S CA 0.009 58.183 58.200 -0.044 0.000 1.074 315 S CB 0.347 63.511 63.200 -0.060 0.000 0.829 315 S HN 0.018 nan 8.310 nan 0.000 0.497 316 Q N 5.681 125.470 119.800 -0.018 0.000 2.425 316 Q HA 0.440 4.782 4.340 0.002 0.000 0.254 316 Q C -1.952 174.114 176.000 0.110 0.000 1.032 316 Q CA -2.047 53.780 55.803 0.039 0.000 0.798 316 Q CB 1.534 30.309 28.738 0.062 0.000 1.210 316 Q HN 0.397 nan 8.270 nan 0.000 0.491 317 P HA -0.040 nan 4.420 nan 0.000 0.222 317 P C -0.891 176.581 177.300 0.285 0.000 1.147 317 P CA 0.785 63.979 63.100 0.157 0.000 0.790 317 P CB 0.225 31.961 31.700 0.059 0.000 0.780 318 L N -6.815 114.567 121.223 0.265 0.000 3.119 318 L HA 0.381 4.722 4.340 0.002 0.000 0.283 318 L C -1.548 175.304 176.870 -0.030 0.000 1.028 318 L CA -1.103 53.756 54.840 0.031 0.000 0.975 318 L CB 0.375 42.375 42.059 -0.099 0.000 1.543 318 L HN -0.444 nan 8.230 nan 0.000 0.390 319 L N 1.168 122.257 121.223 -0.224 0.000 2.313 319 L HA 0.809 5.150 4.340 0.002 0.000 0.273 319 L C 0.534 177.300 176.870 -0.173 0.000 1.028 319 L CA -0.038 54.754 54.840 -0.080 0.000 0.871 319 L CB 0.738 42.792 42.059 -0.007 0.000 1.242 319 L HN 0.976 nan 8.230 nan 0.000 0.434 320 G N 1.503 110.205 108.800 -0.164 0.000 2.857 320 G HA2 0.432 4.393 3.960 0.002 0.000 0.217 320 G HA3 0.432 4.393 3.960 0.002 0.000 0.217 320 G C -0.229 174.598 174.900 -0.121 0.000 1.357 320 G CA -0.348 44.565 45.100 -0.312 0.000 1.033 320 G HN 0.325 nan 8.290 nan 0.000 0.571 321 T N -0.191 114.317 114.554 -0.076 0.000 2.855 321 T HA 0.418 4.769 4.350 0.002 0.000 0.314 321 T C 0.328 175.051 174.700 0.038 0.000 1.077 321 T CA 0.519 62.691 62.100 0.120 0.000 1.095 321 T CB 1.068 70.030 68.868 0.157 0.000 0.987 321 T HN 1.176 nan 8.240 nan 0.000 0.546 322 V N -1.229 118.702 119.914 0.029 0.000 3.206 322 V HA 0.544 4.665 4.120 0.002 0.000 0.305 322 V C -0.904 175.161 176.094 -0.048 0.000 1.257 322 V CA -1.298 60.982 62.300 -0.034 0.000 1.057 322 V CB 1.905 33.689 31.823 -0.065 0.000 1.075 322 V HN 0.622 nan 8.190 nan 0.000 0.443 323 I N 3.608 124.142 120.570 -0.060 0.000 2.213 323 I HA 0.218 4.389 4.170 0.002 0.000 0.295 323 I C 1.245 177.319 176.117 -0.070 0.000 1.172 323 I CA 0.106 61.369 61.300 -0.061 0.000 1.443 323 I CB -0.521 37.446 38.000 -0.055 0.000 1.491 323 I HN 0.987 nan 8.210 nan 0.000 0.652 324 D N 3.611 123.959 120.400 -0.087 0.000 2.144 324 D HA -0.127 4.514 4.640 0.002 0.000 0.200 324 D C 1.469 177.723 176.300 -0.076 0.000 0.978 324 D CA 1.498 55.435 54.000 -0.105 0.000 0.833 324 D CB 0.213 40.916 40.800 -0.161 0.000 0.961 324 D HN 0.612 nan 8.370 nan 0.000 0.470 325 G N -0.754 108.010 108.800 -0.060 0.000 2.184 325 G HA2 -0.208 3.753 3.960 0.002 0.000 0.206 325 G HA3 -0.208 3.753 3.960 0.002 0.000 0.206 325 G C 0.906 175.785 174.900 -0.034 0.000 0.995 325 G CA 0.475 45.550 45.100 -0.042 0.000 0.651 325 G HN 0.249 nan 8.290 nan 0.000 0.511 326 M N -1.286 118.289 119.600 -0.042 0.000 2.902 326 M HA 0.461 4.942 4.480 0.002 0.000 0.225 326 M C 2.109 178.393 176.300 -0.028 0.000 1.711 326 M CA 0.893 56.177 55.300 -0.026 0.000 1.213 326 M CB -1.057 31.532 32.600 -0.020 0.000 1.265 326 M HN 0.207 nan 8.290 nan 0.000 0.577 327 L N 0.674 121.871 121.223 -0.043 0.000 2.102 327 L HA 0.223 4.564 4.340 0.002 0.000 0.202 327 L C 0.300 177.134 176.870 -0.059 0.000 1.076 327 L CA 1.358 56.173 54.840 -0.043 0.000 0.761 327 L CB 0.275 42.310 42.059 -0.039 0.000 0.921 327 L HN 0.120 nan 8.230 nan 0.000 0.444 328 L N 0.390 121.576 121.223 -0.063 0.000 2.345 328 L HA 0.243 4.584 4.340 0.002 0.000 0.274 328 L C 0.438 177.275 176.870 -0.055 0.000 0.999 328 L CA -0.333 54.465 54.840 -0.069 0.000 0.849 328 L CB 1.754 43.767 42.059 -0.078 0.000 1.220 328 L HN 0.123 nan 8.230 nan 0.000 0.422 329 L N 2.991 124.187 121.223 -0.045 0.000 2.465 329 L HA 0.014 4.356 4.340 0.002 0.000 0.224 329 L C 0.639 177.490 176.870 -0.032 0.000 1.145 329 L CA 0.920 55.740 54.840 -0.033 0.000 0.834 329 L CB -0.496 41.550 42.059 -0.020 0.000 0.944 329 L HN 0.639 nan 8.230 nan 0.000 0.451 330 K N -1.989 118.387 120.400 -0.040 0.000 2.711 330 K HA 0.226 4.548 4.320 0.002 0.000 0.294 330 K C -0.471 176.100 176.600 -0.048 0.000 1.037 330 K CA -0.735 55.530 56.287 -0.037 0.000 0.858 330 K CB 0.463 32.949 32.500 -0.024 0.000 1.521 330 K HN -0.145 nan 8.250 nan 0.000 0.386 331 T N -1.040 113.487 114.554 -0.046 0.000 2.923 331 T HA 0.043 4.395 4.350 0.002 0.000 0.304 331 T C -1.761 172.904 174.700 -0.058 0.000 1.044 331 T CA -0.452 61.615 62.100 -0.055 0.000 1.141 331 T CB 0.125 68.962 68.868 -0.052 0.000 1.023 331 T HN 0.367 nan 8.240 nan 0.000 0.533 332 P HA -0.178 nan 4.420 nan 0.000 0.217 332 P C 1.383 178.653 177.300 -0.049 0.000 1.158 332 P CA 1.411 64.464 63.100 -0.078 0.000 0.887 332 P CB 0.058 31.705 31.700 -0.089 0.000 0.792 333 E N -0.057 120.117 120.200 -0.044 0.000 2.033 333 E HA -0.223 4.128 4.350 0.002 0.000 0.199 333 E C 1.962 178.561 176.600 -0.001 0.000 1.011 333 E CA 1.567 57.953 56.400 -0.022 0.000 0.815 333 E CB -1.014 28.664 29.700 -0.036 0.000 0.755 333 E HN 0.440 nan 8.360 nan 0.000 0.451 334 E N 0.525 120.720 120.200 -0.008 0.000 2.058 334 E HA -0.191 4.160 4.350 0.002 0.000 0.194 334 E C 2.260 178.875 176.600 0.025 0.000 0.997 334 E CA 1.013 57.417 56.400 0.007 0.000 0.801 334 E CB -0.306 29.393 29.700 -0.002 0.000 0.746 334 E HN 0.164 nan 8.360 nan 0.000 0.450 335 L N 1.256 122.485 121.223 0.010 0.000 1.997 335 L HA -0.305 4.037 4.340 0.002 0.000 0.216 335 L C 2.896 179.827 176.870 0.102 0.000 1.074 335 L CA 1.968 56.823 54.840 0.025 0.000 0.763 335 L CB -0.774 41.253 42.059 -0.053 0.000 0.890 335 L HN 0.307 nan 8.230 nan 0.000 0.434 336 Q N -0.302 119.551 119.800 0.088 0.000 2.439 336 Q HA -0.132 4.209 4.340 0.002 0.000 0.211 336 Q C 2.001 178.116 176.000 0.192 0.000 0.978 336 Q CA 1.053 56.980 55.803 0.205 0.000 0.897 336 Q CB -0.248 28.578 28.738 0.147 0.000 0.956 336 Q HN 0.469 nan 8.270 nan 0.000 0.483 337 A N 1.710 124.602 122.820 0.121 0.000 1.845 337 A HA -0.156 4.165 4.320 0.002 0.000 0.215 337 A C 0.597 178.237 177.584 0.093 0.000 1.195 337 A CA 1.195 53.285 52.037 0.088 0.000 0.616 337 A CB -0.275 18.760 19.000 0.058 0.000 0.832 337 A HN 0.496 nan 8.150 nan 0.000 0.443 338 E N -0.080 120.186 120.200 0.109 0.000 2.152 338 E HA 0.413 4.764 4.350 0.002 0.000 0.285 338 E C 0.415 177.077 176.600 0.103 0.000 1.043 338 E CA -0.286 56.165 56.400 0.084 0.000 0.839 338 E CB 0.756 30.502 29.700 0.076 0.000 1.069 338 E HN 0.230 nan 8.360 nan 0.000 0.399 339 R N 1.545 122.024 120.500 -0.035 0.000 2.328 339 R HA -0.029 4.312 4.340 0.002 0.000 0.207 339 R C -0.268 175.764 176.300 -0.446 0.000 1.056 339 R CA 0.208 56.139 56.100 -0.282 0.000 1.016 339 R CB -0.578 29.580 30.300 -0.236 0.000 0.872 339 R HN 0.376 nan 8.270 nan 0.000 0.471 340 N N 1.467 120.075 118.700 -0.153 0.000 2.744 340 N HA 0.145 4.886 4.740 0.002 0.000 0.290 340 N C -0.918 174.615 175.510 0.038 0.000 1.206 340 N CA 0.096 53.089 53.050 -0.095 0.000 1.119 340 N CB -0.127 38.347 38.487 -0.021 0.000 1.449 340 N HN 0.138 nan 8.380 nan 0.000 0.514 341 F N -2.755 117.204 119.950 0.015 0.000 3.215 341 F HA 0.380 4.909 4.527 0.002 0.000 0.326 341 F C -0.733 175.115 175.800 0.080 0.000 1.189 341 F CA -1.427 56.593 58.000 0.032 0.000 0.905 341 F CB 1.005 40.030 39.000 0.041 0.000 1.485 341 F HN 0.040 nan 8.300 nan 0.000 0.508 342 H N 0.935 120.304 119.070 0.499 0.000 2.782 342 H HA 0.450 5.007 4.556 0.002 0.000 0.285 342 H C -0.737 174.807 175.328 0.360 0.000 1.093 342 H CA -0.023 56.164 56.048 0.232 0.000 1.410 342 H CB 0.793 30.588 29.762 0.055 0.000 1.439 342 H HN 0.769 nan 8.280 nan 0.000 0.469 343 T N 2.744 117.378 114.554 0.134 0.000 2.767 343 T HA 0.486 4.837 4.350 0.002 0.000 0.284 343 T C 0.056 174.748 174.700 -0.014 0.000 0.973 343 T CA -0.785 61.341 62.100 0.045 0.000 0.996 343 T CB 1.072 69.796 68.868 -0.241 0.000 0.927 343 T HN 0.352 nan 8.240 nan 0.000 0.456 344 V N -0.402 119.604 119.914 0.153 0.000 3.160 344 V HA 0.783 4.904 4.120 0.002 0.000 0.310 344 V C -3.221 173.056 176.094 0.306 0.000 1.181 344 V CA -3.493 58.852 62.300 0.076 0.000 1.047 344 V CB 1.526 33.285 31.823 -0.107 0.000 1.068 344 V HN 0.555 nan 8.190 nan 0.000 0.441 345 P HA 0.146 nan 4.420 nan 0.000 0.262 345 P C -1.459 176.160 177.300 0.532 0.000 1.199 345 P CA 0.787 64.059 63.100 0.287 0.000 0.763 345 P CB -0.345 31.299 31.700 -0.093 0.000 0.790 346 Y N 4.247 124.792 120.300 0.408 0.000 2.338 346 Y HA 0.491 5.042 4.550 0.002 0.000 0.333 346 Y C -0.487 175.437 175.900 0.040 0.000 0.968 346 Y CA -1.509 56.677 58.100 0.144 0.000 1.123 346 Y CB 1.309 39.500 38.460 -0.448 0.000 1.165 346 Y HN 0.196 nan 8.280 nan 0.000 0.452 347 M N 8.081 127.631 119.600 -0.083 0.000 2.088 347 M HA 0.481 4.962 4.480 0.002 0.000 0.346 347 M C -2.092 173.949 176.300 -0.431 0.000 1.111 347 M CA -0.658 54.338 55.300 -0.507 0.000 1.017 347 M CB 0.684 32.617 32.600 -1.110 0.000 1.568 347 M HN 0.436 nan 8.290 nan 0.000 0.445 348 V N 5.072 124.696 119.914 -0.483 0.000 2.378 348 V HA 0.817 4.938 4.120 0.002 0.000 0.288 348 V C 0.373 176.218 176.094 -0.415 0.000 1.016 348 V CA -0.537 61.473 62.300 -0.484 0.000 0.840 348 V CB 1.221 32.650 31.823 -0.657 0.000 0.994 348 V HN 0.999 nan 8.190 nan 0.000 0.431 349 G N 4.237 112.716 108.800 -0.535 0.000 2.658 349 G HA2 0.923 4.885 3.960 0.002 0.000 0.292 349 G HA3 0.923 4.885 3.960 0.002 0.000 0.292 349 G C -1.144 173.344 174.900 -0.687 0.000 1.320 349 G CA -0.711 43.664 45.100 -1.209 0.000 0.933 349 G HN 0.903 nan 8.290 nan 0.000 0.476 350 I N -2.809 117.427 120.570 -0.556 0.000 3.195 350 I HA 0.562 4.733 4.170 0.002 0.000 0.313 350 I C -1.229 174.923 176.117 0.059 0.000 1.237 350 I CA -1.354 59.865 61.300 -0.135 0.000 0.963 350 I CB 2.383 40.347 38.000 -0.059 0.000 1.278 350 I HN 0.439 nan 8.210 nan 0.000 0.460 351 N N 1.494 120.265 118.700 0.118 0.000 2.430 351 N HA 0.248 4.989 4.740 0.002 0.000 0.298 351 N C 0.088 175.699 175.510 0.168 0.000 1.130 351 N CA -0.837 52.354 53.050 0.234 0.000 0.894 351 N CB 2.105 40.741 38.487 0.248 0.000 1.209 351 N HN 0.545 nan 8.380 nan 0.000 0.503 352 K N 0.868 121.383 120.400 0.191 0.000 2.089 352 K HA -0.189 4.132 4.320 0.002 0.000 0.210 352 K C 0.027 176.707 176.600 0.133 0.000 1.048 352 K CA 1.881 58.253 56.287 0.142 0.000 0.926 352 K CB 0.124 32.699 32.500 0.124 0.000 0.714 352 K HN 0.561 nan 8.250 nan 0.000 0.448 353 Q N -0.074 119.813 119.800 0.145 0.000 3.122 353 Q HA 0.111 4.452 4.340 0.002 0.000 0.282 353 Q C -0.230 175.860 176.000 0.149 0.000 0.947 353 Q CA -0.345 55.546 55.803 0.147 0.000 0.812 353 Q CB 1.455 30.280 28.738 0.145 0.000 1.333 353 Q HN 0.124 nan 8.270 nan 0.000 0.430 354 E N 0.363 120.626 120.200 0.104 0.000 2.097 354 E HA -0.181 4.170 4.350 0.002 0.000 0.196 354 E C 0.588 177.264 176.600 0.127 0.000 1.000 354 E CA 1.358 57.766 56.400 0.013 0.000 0.804 354 E CB 0.117 29.640 29.700 -0.295 0.000 0.740 354 E HN 0.476 nan 8.360 nan 0.000 0.454 355 F N 0.490 120.438 119.950 -0.004 0.000 2.660 355 F HA 0.220 4.748 4.527 0.002 0.000 0.297 355 F C 1.773 177.584 175.800 0.018 0.000 1.132 355 F CA -0.207 57.777 58.000 -0.026 0.000 1.372 355 F CB 0.412 39.366 39.000 -0.077 0.000 1.003 355 F HN -0.037 nan 8.300 nan 0.000 0.524 356 G N 0.066 108.941 108.800 0.125 0.000 2.432 356 G HA2 -0.261 3.700 3.960 0.002 0.000 0.219 356 G HA3 -0.261 3.700 3.960 0.002 0.000 0.219 356 G C 0.899 175.913 174.900 0.190 0.000 1.135 356 G CA 1.339 46.529 45.100 0.150 0.000 0.767 356 G HN 0.625 nan 8.290 nan 0.000 0.550 357 W N -1.758 119.491 121.300 -0.085 0.000 5.025 357 W HA 0.210 4.871 4.660 0.002 0.000 0.160 357 W C 1.590 178.047 176.519 -0.104 0.000 3.401 357 W CA 0.231 57.526 57.345 -0.082 0.000 1.671 357 W CB -0.765 28.692 29.460 -0.005 0.000 1.547 357 W HN -0.027 nan 8.180 nan 0.000 0.854 358 L N 2.209 123.372 121.223 -0.100 0.000 2.113 358 L HA -0.253 4.088 4.340 0.002 0.000 0.221 358 L C 1.815 178.431 176.870 -0.422 0.000 1.084 358 L CA 2.807 57.420 54.840 -0.378 0.000 0.787 358 L CB -0.930 41.257 42.059 0.214 0.000 0.893 358 L HN 0.323 nan 8.230 nan 0.000 0.440 359 I N -1.400 118.948 120.570 -0.371 0.000 2.385 359 I HA -0.069 4.102 4.170 0.002 0.000 0.244 359 I C -0.467 175.320 176.117 -0.550 0.000 1.089 359 I CA 0.576 61.642 61.300 -0.390 0.000 1.410 359 I CB -1.397 36.416 38.000 -0.311 0.000 1.117 359 I HN 0.171 nan 8.210 nan 0.000 0.429 360 P HA -0.131 nan 4.420 nan 0.000 0.226 360 P C 0.775 177.884 177.300 -0.318 0.000 1.146 360 P CA 1.190 63.782 63.100 -0.845 0.000 0.773 360 P CB 0.085 31.168 31.700 -1.029 0.000 0.772 364 M N -0.091 119.500 119.600 -0.015 0.000 2.514 364 M HA 0.160 4.641 4.480 0.002 0.000 0.258 364 M C 0.177 176.523 176.300 0.078 0.000 1.119 364 M CA 0.525 55.873 55.300 0.079 0.000 1.111 364 M CB 0.400 33.127 32.600 0.211 0.000 1.390 364 M HN 0.231 nan 8.290 nan 0.000 0.475 365 S N 0.423 116.168 115.700 0.074 0.000 3.877 365 S HA -0.135 4.336 4.470 0.002 0.000 0.520 365 S C -0.887 173.757 174.600 0.072 0.000 0.778 365 S CA -0.020 58.213 58.200 0.055 0.000 1.362 365 S CB -1.860 61.346 63.200 0.010 0.000 0.850 365 S HN 0.386 nan 8.310 nan 0.000 0.695 366 Y N 1.338 121.639 120.300 0.002 0.000 2.310 366 Y HA 0.418 4.969 4.550 0.002 0.000 0.326 366 Y C -1.836 174.095 175.900 0.051 0.000 1.151 366 Y CA -1.834 56.300 58.100 0.058 0.000 1.195 366 Y CB 0.721 39.239 38.460 0.097 0.000 1.210 366 Y HN 0.135 nan 8.280 nan 0.000 0.483 367 P HA 0.148 nan 4.420 nan 0.000 0.235 367 P C -0.622 176.749 177.300 0.118 0.000 1.765 367 P CA 0.681 63.829 63.100 0.080 0.000 1.034 367 P CB -0.328 31.387 31.700 0.025 0.000 1.984 368 L N 0.322 121.633 121.223 0.146 0.000 3.193 368 L HA 0.140 4.482 4.340 0.002 0.000 0.305 368 L C 1.361 178.296 176.870 0.107 0.000 1.299 368 L CA 0.039 54.959 54.840 0.135 0.000 0.904 368 L CB 0.292 42.461 42.059 0.185 0.000 1.331 368 L HN 0.112 nan 8.230 nan 0.000 0.588 369 S N -2.089 113.661 115.700 0.084 0.000 2.470 369 S HA -0.003 4.468 4.470 0.002 0.000 0.225 369 S C 1.430 176.067 174.600 0.063 0.000 1.006 369 S CA 0.164 58.408 58.200 0.073 0.000 0.934 369 S CB 0.113 63.348 63.200 0.059 0.000 0.778 369 S HN 0.374 nan 8.310 nan 0.000 0.517 370 E N 1.689 121.923 120.200 0.056 0.000 2.208 370 E HA 0.090 4.441 4.350 0.002 0.000 0.193 370 E C 1.569 178.200 176.600 0.051 0.000 0.988 370 E CA 0.727 57.154 56.400 0.046 0.000 0.828 370 E CB -0.841 28.880 29.700 0.036 0.000 0.763 370 E HN 0.724 nan 8.360 nan 0.000 0.478 371 G N 2.185 111.024 108.800 0.066 0.000 2.176 371 G HA2 -0.298 3.663 3.960 0.002 0.000 0.252 371 G HA3 -0.298 3.663 3.960 0.002 0.000 0.252 371 G C 0.053 174.992 174.900 0.066 0.000 1.024 371 G CA 0.941 46.085 45.100 0.074 0.000 0.755 371 G HN 0.412 nan 8.290 nan 0.000 0.507 372 Q N -2.310 117.523 119.800 0.056 0.000 2.578 372 Q HA 0.849 5.190 4.340 0.002 0.000 0.284 372 Q C -1.605 174.409 176.000 0.024 0.000 0.960 372 Q CA -1.314 54.516 55.803 0.045 0.000 0.809 372 Q CB 1.660 30.420 28.738 0.037 0.000 1.462 372 Q HN 0.544 nan 8.270 nan 0.000 0.392 373 L N 0.848 122.080 121.223 0.015 0.000 2.502 373 L HA 0.674 5.015 4.340 0.002 0.000 0.253 373 L C -1.995 174.870 176.870 -0.008 0.000 1.070 373 L CA -0.088 54.737 54.840 -0.025 0.000 0.871 373 L CB 2.461 44.466 42.059 -0.089 0.000 1.487 373 L HN 0.959 nan 8.230 nan 0.000 0.408 374 D N -0.207 120.179 120.400 -0.023 0.000 2.753 374 D HA 0.189 4.830 4.640 0.002 0.000 0.224 374 D C -0.155 176.146 176.300 0.002 0.000 1.213 374 D CA -0.501 53.500 54.000 0.001 0.000 0.833 374 D CB 1.368 42.171 40.800 0.005 0.000 1.607 374 D HN 0.385 nan 8.370 nan 0.000 0.463 375 Q N 1.282 121.097 119.800 0.025 0.000 2.146 375 Q HA -0.274 4.067 4.340 0.002 0.000 0.217 375 Q C 1.553 177.572 176.000 0.031 0.000 1.023 375 Q CA 2.160 57.986 55.803 0.038 0.000 0.903 375 Q CB -0.455 28.306 28.738 0.038 0.000 0.990 375 Q HN 0.614 nan 8.270 nan 0.000 0.413 376 K N -0.358 120.053 120.400 0.019 0.000 1.985 376 K HA -0.087 4.234 4.320 0.002 0.000 0.210 376 K C 2.344 178.952 176.600 0.012 0.000 1.047 376 K CA 1.729 58.027 56.287 0.017 0.000 0.932 376 K CB -0.382 32.125 32.500 0.012 0.000 0.716 376 K HN 0.165 nan 8.250 nan 0.000 0.439 377 T N 1.275 115.823 114.554 -0.010 0.000 2.759 377 T HA -0.185 4.166 4.350 0.002 0.000 0.269 377 T C 1.932 176.587 174.700 -0.075 0.000 1.042 377 T CA 1.365 63.445 62.100 -0.033 0.000 1.140 377 T CB -0.362 68.474 68.868 -0.053 0.000 0.864 377 T HN 0.373 nan 8.240 nan 0.000 0.455 378 A N 1.875 124.634 122.820 -0.102 0.000 1.834 378 A HA -0.127 4.194 4.320 0.002 0.000 0.216 378 A C 2.337 179.960 177.584 0.067 0.000 1.203 378 A CA 1.906 53.849 52.037 -0.157 0.000 0.621 378 A CB -0.939 18.046 19.000 -0.024 0.000 0.841 378 A HN 0.446 nan 8.150 nan 0.000 0.446 379 M N -0.464 119.207 119.600 0.118 0.000 2.192 379 M HA -0.202 4.279 4.480 0.002 0.000 0.259 379 M C 2.488 178.910 176.300 0.202 0.000 1.071 379 M CA 1.877 57.278 55.300 0.168 0.000 1.082 379 M CB -0.400 32.264 32.600 0.106 0.000 1.373 379 M HN 0.579 nan 8.290 nan 0.000 0.408 380 S N 0.495 116.285 115.700 0.150 0.000 2.357 380 S HA -0.046 4.426 4.470 0.002 0.000 0.221 380 S C 1.762 176.504 174.600 0.238 0.000 1.031 380 S CA 0.810 59.124 58.200 0.189 0.000 0.982 380 S CB -0.103 63.163 63.200 0.111 0.000 0.853 380 S HN 0.401 nan 8.310 nan 0.000 0.458 381 L N 0.806 122.133 121.223 0.173 0.000 1.989 381 L HA -0.113 4.228 4.340 0.002 0.000 0.211 381 L C 2.496 179.601 176.870 0.392 0.000 1.071 381 L CA 1.288 56.268 54.840 0.233 0.000 0.749 381 L CB -0.582 41.574 42.059 0.163 0.000 0.890 381 L HN 0.366 nan 8.230 nan 0.000 0.431 382 L N -0.456 121.069 121.223 0.505 0.000 2.081 382 L HA -0.303 4.038 4.340 0.002 0.000 0.212 382 L C 2.157 179.270 176.870 0.404 0.000 1.080 382 L CA 1.890 57.007 54.840 0.461 0.000 0.754 382 L CB -0.714 41.614 42.059 0.449 0.000 0.893 382 L HN 0.396 nan 8.230 nan 0.000 0.433 383 W N 0.388 121.802 121.300 0.191 0.000 2.408 383 W HA -0.216 4.445 4.660 0.002 0.000 0.311 383 W C 2.110 178.723 176.519 0.156 0.000 1.190 383 W CA 1.150 58.589 57.345 0.157 0.000 1.321 383 W CB -0.013 29.505 29.460 0.096 0.000 1.143 383 W HN 0.064 nan 8.180 nan 0.000 0.501 384 K N 0.468 120.870 120.400 0.004 0.000 2.442 384 K HA -0.076 4.245 4.320 0.002 0.000 0.198 384 K C 1.523 178.061 176.600 -0.102 0.000 1.044 384 K CA 1.159 57.346 56.287 -0.167 0.000 0.948 384 K CB -0.117 32.350 32.500 -0.055 0.000 0.762 384 K HN -0.076 nan 8.250 nan 0.000 0.472 385 S N 0.195 115.912 115.700 0.028 0.000 2.614 385 S HA 0.014 4.485 4.470 0.002 0.000 0.230 385 S C 0.821 175.420 174.600 -0.002 0.000 0.952 385 S CA -0.433 57.804 58.200 0.062 0.000 0.949 385 S CB -0.169 63.139 63.200 0.181 0.000 0.786 385 S HN 0.324 nan 8.310 nan 0.000 0.478 386 Y N 4.244 124.424 120.300 -0.199 0.000 2.151 386 Y HA -0.147 4.405 4.550 0.002 0.000 0.284 386 Y C -0.791 175.018 175.900 -0.151 0.000 1.166 386 Y CA 1.710 59.683 58.100 -0.211 0.000 1.163 386 Y CB -1.200 36.963 38.460 -0.495 0.000 0.974 386 Y HN 0.254 nan 8.280 nan 0.000 0.511 387 P HA -0.191 nan 4.420 nan 0.000 0.218 387 P C 1.594 178.743 177.300 -0.253 0.000 1.148 387 P CA 1.714 64.672 63.100 -0.236 0.000 0.822 387 P CB -0.061 31.586 31.700 -0.088 0.000 0.784 388 L N -0.532 120.572 121.223 -0.198 0.000 2.162 388 L HA -0.043 4.298 4.340 0.002 0.000 0.205 388 L C 2.553 179.248 176.870 -0.291 0.000 1.086 388 L CA 1.136 55.855 54.840 -0.203 0.000 0.778 388 L CB -0.410 41.576 42.059 -0.123 0.000 0.928 388 L HN -0.104 nan 8.230 nan 0.000 0.446 389 V N -6.924 112.818 119.914 -0.287 0.000 3.570 389 V HA 0.155 4.276 4.120 0.002 0.000 0.257 389 V C 1.039 176.990 176.094 -0.238 0.000 1.272 389 V CA -0.454 61.683 62.300 -0.271 0.000 1.079 389 V CB -0.063 31.623 31.823 -0.228 0.000 0.829 389 V HN 0.374 nan 8.190 nan 0.000 0.454 390 C N 1.560 120.600 119.300 -0.433 0.000 4.209 390 C HA -0.155 4.306 4.460 0.002 0.000 0.305 390 C C 0.447 175.479 174.990 0.070 0.000 1.339 390 C CA 0.239 58.888 59.018 -0.615 0.000 2.062 390 C CB -2.923 24.492 27.740 -0.541 0.000 1.307 390 C HN 0.665 nan 8.230 nan 0.000 0.706 391 I N 1.186 121.976 120.570 0.365 0.000 2.336 391 I HA 0.507 4.678 4.170 0.002 0.000 0.292 391 I C 0.933 177.440 176.117 0.651 0.000 0.991 391 I CA -0.052 61.580 61.300 0.553 0.000 1.227 391 I CB 1.236 39.491 38.000 0.425 0.000 1.366 391 I HN 0.499 nan 8.210 nan 0.000 0.466 392 A N 5.284 128.412 122.820 0.513 0.000 2.498 392 A HA 0.035 4.356 4.320 0.002 0.000 0.239 392 A C 1.368 179.084 177.584 0.220 0.000 1.068 392 A CA -0.165 52.098 52.037 0.376 0.000 0.766 392 A CB 0.309 19.449 19.000 0.234 0.000 1.003 392 A HN 0.818 nan 8.150 nan 0.000 0.497 393 K N 1.188 121.550 120.400 -0.063 0.000 2.218 393 K HA -0.206 4.115 4.320 0.002 0.000 0.205 393 K C 1.715 178.180 176.600 -0.225 0.000 1.046 393 K CA 2.474 58.459 56.287 -0.503 0.000 0.933 393 K CB -0.067 31.724 32.500 -1.182 0.000 0.728 393 K HN 0.861 nan 8.250 nan 0.000 0.454 394 E N 0.201 120.338 120.200 -0.104 0.000 2.072 394 E HA -0.167 4.185 4.350 0.002 0.000 0.190 394 E C 1.840 178.439 176.600 -0.001 0.000 0.982 394 E CA 1.161 57.529 56.400 -0.054 0.000 0.803 394 E CB -0.495 29.189 29.700 -0.026 0.000 0.755 394 E HN 0.360 nan 8.360 nan 0.000 0.453 395 L N 0.744 121.996 121.223 0.049 0.000 2.478 395 L HA -0.017 4.324 4.340 0.002 0.000 0.223 395 L C 2.483 179.409 176.870 0.093 0.000 1.140 395 L CA -0.116 54.762 54.840 0.063 0.000 0.842 395 L CB -0.315 41.789 42.059 0.076 0.000 0.953 395 L HN 0.060 nan 8.230 nan 0.000 0.452 396 I N 0.965 121.603 120.570 0.114 0.000 2.113 396 I HA -0.217 3.955 4.170 0.002 0.000 0.242 396 I C 0.099 176.291 176.117 0.124 0.000 1.064 396 I CA 2.120 63.514 61.300 0.157 0.000 1.320 396 I CB -2.216 35.873 38.000 0.147 0.000 1.028 396 I HN 0.187 nan 8.210 nan 0.000 0.406 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.694 179.035 177.300 0.069 0.000 1.153 397 P CA 1.494 64.630 63.100 0.060 0.000 0.858 397 P CB -0.059 31.656 31.700 0.025 0.000 0.789 398 E N -0.837 119.402 120.200 0.065 0.000 2.204 398 E HA -0.130 4.221 4.350 0.002 0.000 0.194 398 E C 1.814 178.484 176.600 0.117 0.000 0.989 398 E CA 0.919 57.363 56.400 0.073 0.000 0.824 398 E CB -0.277 29.459 29.700 0.061 0.000 0.756 398 E HN 0.089 nan 8.360 nan 0.000 0.477 399 A N 0.084 122.985 122.820 0.135 0.000 1.878 399 A HA -0.067 4.254 4.320 0.002 0.000 0.213 399 A C 2.307 180.000 177.584 0.181 0.000 1.192 399 A CA 1.441 53.576 52.037 0.164 0.000 0.619 399 A CB -0.692 18.429 19.000 0.201 0.000 0.837 399 A HN 0.246 nan 8.150 nan 0.000 0.446 400 T N 0.048 114.714 114.554 0.186 0.000 2.822 400 T HA -0.159 4.192 4.350 0.002 0.000 0.270 400 T C 1.815 176.616 174.700 0.169 0.000 1.064 400 T CA 1.823 64.044 62.100 0.203 0.000 1.131 400 T CB -0.151 68.825 68.868 0.181 0.000 0.858 400 T HN 0.606 nan 8.240 nan 0.000 0.483 401 E N 1.651 121.918 120.200 0.112 0.000 2.021 401 E HA -0.039 4.312 4.350 0.002 0.000 0.189 401 E C 2.058 178.671 176.600 0.021 0.000 0.980 401 E CA 1.141 57.577 56.400 0.061 0.000 0.803 401 E CB -0.337 29.381 29.700 0.029 0.000 0.766 401 E HN 0.200 nan 8.360 nan 0.000 0.449 402 K N -0.992 119.374 120.400 -0.056 0.000 2.366 402 K HA -0.188 4.133 4.320 0.002 0.000 0.202 402 K C 1.312 177.811 176.600 -0.168 0.000 1.045 402 K CA 1.499 57.633 56.287 -0.255 0.000 0.934 402 K CB -0.388 31.658 32.500 -0.756 0.000 0.746 402 K HN 0.286 nan 8.250 nan 0.000 0.470 403 Y N -1.271 118.962 120.300 -0.113 0.000 2.539 403 Y HA 0.256 4.808 4.550 0.002 0.000 0.284 403 Y C 1.442 177.362 175.900 0.034 0.000 1.134 403 Y CA 0.397 58.489 58.100 -0.014 0.000 1.251 403 Y CB 0.473 38.986 38.460 0.089 0.000 1.260 403 Y HN -0.124 nan 8.280 nan 0.000 0.528 404 L N -1.244 120.112 121.223 0.221 0.000 2.585 404 L HA 0.231 4.572 4.340 0.002 0.000 0.226 404 L C 2.152 179.072 176.870 0.084 0.000 1.113 404 L CA 0.630 55.565 54.840 0.157 0.000 0.876 404 L CB -0.436 41.728 42.059 0.175 0.000 1.072 404 L HN 0.230 nan 8.230 nan 0.000 0.468 405 G N 0.459 109.290 108.800 0.052 0.000 2.586 405 G HA2 -0.032 3.929 3.960 0.002 0.000 0.215 405 G HA3 -0.032 3.929 3.960 0.002 0.000 0.215 405 G C 1.037 175.942 174.900 0.007 0.000 1.128 405 G CA 0.574 45.687 45.100 0.020 0.000 0.774 405 G HN 0.435 nan 8.290 nan 0.000 0.543 406 G N 0.373 109.178 108.800 0.007 0.000 2.803 406 G HA2 0.329 4.290 3.960 0.002 0.000 0.177 406 G HA3 0.329 4.290 3.960 0.002 0.000 0.177 406 G C 0.754 175.662 174.900 0.015 0.000 1.629 406 G CA 0.521 45.621 45.100 0.000 0.000 1.077 406 G HN 0.660 nan 8.290 nan 0.000 0.556 407 T N -0.827 113.737 114.554 0.017 0.000 2.860 407 T HA -0.059 4.293 4.350 0.002 0.000 0.295 407 T C 0.399 175.116 174.700 0.028 0.000 1.041 407 T CA 0.948 63.061 62.100 0.022 0.000 1.132 407 T CB 0.439 69.322 68.868 0.027 0.000 1.072 407 T HN 0.434 nan 8.240 nan 0.000 0.504 408 D N -0.129 120.285 120.400 0.024 0.000 2.349 408 D HA -0.013 4.628 4.640 0.002 0.000 0.215 408 D C 0.418 176.735 176.300 0.029 0.000 1.016 408 D CA -0.003 54.012 54.000 0.025 0.000 0.870 408 D CB 0.007 40.818 40.800 0.018 0.000 0.917 408 D HN 0.685 nan 8.370 nan 0.000 0.524 409 D N 2.217 122.635 120.400 0.031 0.000 2.426 409 D HA -0.068 4.573 4.640 0.002 0.000 0.261 409 D C 1.681 178.006 176.300 0.042 0.000 1.245 409 D CA 0.249 54.269 54.000 0.033 0.000 0.917 409 D CB 1.088 41.908 40.800 0.034 0.000 1.123 409 D HN 0.073 nan 8.370 nan 0.000 0.508 410 T N 0.816 115.393 114.554 0.038 0.000 2.635 410 T HA -0.211 4.140 4.350 0.002 0.000 0.267 410 T C 2.046 176.778 174.700 0.054 0.000 1.040 410 T CA 1.488 63.613 62.100 0.041 0.000 1.156 410 T CB -0.651 68.236 68.868 0.031 0.000 0.863 410 T HN 0.225 nan 8.240 nan 0.000 0.430 411 V N 1.967 121.913 119.914 0.052 0.000 2.568 411 V HA -0.169 3.952 4.120 0.002 0.000 0.253 411 V C 2.711 178.852 176.094 0.078 0.000 1.072 411 V CA 1.979 64.317 62.300 0.063 0.000 1.084 411 V CB -0.771 31.083 31.823 0.052 0.000 0.676 411 V HN 0.587 nan 8.190 nan 0.000 0.469 412 K N -0.051 120.393 120.400 0.073 0.000 2.098 412 K HA -0.036 4.285 4.320 0.002 0.000 0.203 412 K C 2.248 178.916 176.600 0.114 0.000 1.051 412 K CA 0.770 57.108 56.287 0.084 0.000 0.957 412 K CB -0.159 32.381 32.500 0.066 0.000 0.738 412 K HN 0.379 nan 8.250 nan 0.000 0.447 413 K N 1.392 121.856 120.400 0.107 0.000 2.063 413 K HA -0.174 4.147 4.320 0.002 0.000 0.208 413 K C 2.185 178.898 176.600 0.189 0.000 1.048 413 K CA 1.239 57.608 56.287 0.135 0.000 0.928 413 K CB -0.035 32.523 32.500 0.097 0.000 0.713 413 K HN 0.010 nan 8.250 nan 0.000 0.442 414 K N 1.384 121.878 120.400 0.156 0.000 2.148 414 K HA -0.184 4.137 4.320 0.002 0.000 0.204 414 K C 1.191 177.956 176.600 0.275 0.000 1.050 414 K CA 1.587 57.996 56.287 0.204 0.000 0.942 414 K CB -0.007 32.572 32.500 0.131 0.000 0.724 414 K HN 0.092 nan 8.250 nan 0.000 0.446 415 D N 0.881 121.404 120.400 0.206 0.000 2.183 415 D HA -0.053 4.588 4.640 0.002 0.000 0.203 415 D C 2.037 178.473 176.300 0.226 0.000 0.969 415 D CA 0.638 54.756 54.000 0.197 0.000 0.842 415 D CB 0.194 41.080 40.800 0.143 0.000 0.957 415 D HN 0.240 nan 8.370 nan 0.000 0.484 416 L N -0.158 121.213 121.223 0.246 0.000 2.179 416 L HA -0.084 4.257 4.340 0.002 0.000 0.208 416 L C 2.303 179.382 176.870 0.348 0.000 1.096 416 L CA 0.280 55.295 54.840 0.291 0.000 0.779 416 L CB -0.310 41.912 42.059 0.270 0.000 0.922 416 L HN -0.034 nan 8.230 nan 0.000 0.443 417 F N 1.128 121.186 119.950 0.180 0.000 2.069 417 F HA -0.242 4.286 4.527 0.002 0.000 0.298 417 F C 2.164 178.040 175.800 0.126 0.000 1.113 417 F CA 1.630 59.716 58.000 0.144 0.000 1.214 417 F CB -0.272 38.816 39.000 0.147 0.000 0.978 417 F HN -0.128 nan 8.300 nan 0.000 0.474 418 L N -0.114 121.211 121.223 0.170 0.000 2.131 418 L HA -0.225 4.116 4.340 0.002 0.000 0.210 418 L C 2.107 179.017 176.870 0.068 0.000 1.092 418 L CA 1.412 56.330 54.840 0.129 0.000 0.759 418 L CB -0.925 41.294 42.059 0.267 0.000 0.903 418 L HN 0.159 nan 8.230 nan 0.000 0.435 419 D N 0.058 120.537 120.400 0.133 0.000 2.144 419 D HA -0.151 4.490 4.640 0.002 0.000 0.200 419 D C 2.215 178.572 176.300 0.095 0.000 0.978 419 D CA 0.720 54.828 54.000 0.180 0.000 0.833 419 D CB -0.062 40.916 40.800 0.297 0.000 0.961 419 D HN 0.136 nan 8.370 nan 0.000 0.470 420 L N 1.444 122.617 121.223 -0.083 0.000 2.013 420 L HA -0.176 4.165 4.340 0.002 0.000 0.212 420 L C 2.089 178.669 176.870 -0.483 0.000 1.073 420 L CA 1.521 56.038 54.840 -0.539 0.000 0.753 420 L CB -0.904 40.826 42.059 -0.548 0.000 0.890 420 L HN 0.012 nan 8.230 nan 0.000 0.432 421 I N -0.162 120.081 120.570 -0.544 0.000 2.277 421 I HA -0.183 3.988 4.170 0.002 0.000 0.243 421 I C 2.667 178.510 176.117 -0.457 0.000 1.094 421 I CA 0.938 61.829 61.300 -0.681 0.000 1.393 421 I CB -0.509 36.774 38.000 -1.196 0.000 1.078 421 I HN 0.262 nan 8.210 nan 0.000 0.417 422 A N 0.492 123.191 122.820 -0.202 0.000 2.024 422 A HA -0.241 4.080 4.320 0.002 0.000 0.220 422 A C 1.814 179.455 177.584 0.094 0.000 1.164 422 A CA 2.057 54.155 52.037 0.102 0.000 0.643 422 A CB -0.513 18.589 19.000 0.171 0.000 0.806 422 A HN 0.361 nan 8.150 nan 0.000 0.451 423 D N -0.647 119.728 120.400 -0.043 0.000 2.137 423 D HA -0.032 4.609 4.640 0.002 0.000 0.202 423 D C 2.021 178.155 176.300 -0.277 0.000 0.970 423 D CA 1.275 55.247 54.000 -0.048 0.000 0.837 423 D CB -0.304 40.566 40.800 0.118 0.000 0.981 423 D HN 0.225 nan 8.370 nan 0.000 0.475 424 V N 0.880 120.466 119.914 -0.547 0.000 2.548 424 V HA -0.132 3.990 4.120 0.002 0.000 0.249 424 V C 2.325 178.154 176.094 -0.441 0.000 1.055 424 V CA 1.094 63.007 62.300 -0.645 0.000 1.065 424 V CB -0.295 31.040 31.823 -0.813 0.000 0.681 424 V HN 0.206 nan 8.190 nan 0.000 0.462 425 M N -1.734 117.594 119.600 -0.453 0.000 2.357 425 M HA 0.103 4.584 4.480 0.002 0.000 0.266 425 M C 1.774 177.570 176.300 -0.841 0.000 1.095 425 M CA 1.919 56.802 55.300 -0.694 0.000 1.156 425 M CB -0.042 32.017 32.600 -0.901 0.000 1.365 425 M HN 0.383 nan 8.290 nan 0.000 0.447 426 F N -1.407 118.467 119.950 -0.126 0.000 2.463 426 F HA 0.363 4.891 4.527 0.002 0.000 0.271 426 F C 2.319 178.074 175.800 -0.076 0.000 0.888 426 F CA 0.161 58.118 58.000 -0.072 0.000 1.149 426 F CB -1.441 37.553 39.000 -0.011 0.000 1.071 426 F HN 0.061 nan 8.300 nan 0.000 0.802 427 G N 1.681 110.581 108.800 0.167 0.000 2.908 427 G HA2 -0.305 3.656 3.960 0.002 0.000 0.218 427 G HA3 -0.305 3.656 3.960 0.002 0.000 0.218 427 G C 1.705 176.621 174.900 0.028 0.000 1.311 427 G CA 2.470 47.616 45.100 0.076 0.000 0.787 427 G HN 0.160 nan 8.290 nan 0.000 0.700 428 V N 2.645 122.572 119.914 0.021 0.000 2.231 428 V HA -0.184 3.937 4.120 0.002 0.000 0.250 428 V C 0.598 176.693 176.094 0.003 0.000 1.058 428 V CA 2.770 65.095 62.300 0.041 0.000 1.022 428 V CB -1.543 30.318 31.823 0.064 0.000 0.640 428 V HN 0.344 nan 8.190 nan 0.000 0.445 429 P HA -0.167 nan 4.420 nan 0.000 0.215 429 P C 2.053 179.320 177.300 -0.055 0.000 1.163 429 P CA 2.264 65.327 63.100 -0.062 0.000 0.894 429 P CB -0.158 31.468 31.700 -0.122 0.000 0.791 430 S N -0.897 114.770 115.700 -0.055 0.000 2.359 430 S HA -0.124 4.347 4.470 0.002 0.000 0.224 430 S C 2.005 176.516 174.600 -0.148 0.000 1.035 430 S CA 1.432 59.573 58.200 -0.099 0.000 1.018 430 S CB -1.286 61.858 63.200 -0.094 0.000 0.876 430 S HN -0.045 nan 8.310 nan 0.000 0.448 431 V N 2.214 122.063 119.914 -0.108 0.000 2.295 431 V HA -0.152 3.969 4.120 0.002 0.000 0.246 431 V C 2.089 178.155 176.094 -0.048 0.000 1.049 431 V CA 1.458 63.694 62.300 -0.107 0.000 1.024 431 V CB -0.699 31.118 31.823 -0.010 0.000 0.648 431 V HN 0.455 nan 8.190 nan 0.000 0.447 432 I N -0.234 120.336 120.570 -0.000 0.000 2.208 432 I HA -0.227 3.945 4.170 0.002 0.000 0.245 432 I C 2.381 178.514 176.117 0.026 0.000 1.097 432 I CA 1.319 62.640 61.300 0.035 0.000 1.363 432 I CB -0.401 37.622 38.000 0.039 0.000 1.051 432 I HN 0.175 nan 8.210 nan 0.000 0.413 433 V N 0.963 120.870 119.914 -0.012 0.000 2.358 433 V HA -0.258 3.863 4.120 0.002 0.000 0.246 433 V C 2.719 178.816 176.094 0.006 0.000 1.047 433 V CA 1.860 64.170 62.300 0.016 0.000 1.035 433 V CB -0.885 30.934 31.823 -0.006 0.000 0.658 433 V HN 0.480 nan 8.190 nan 0.000 0.452 434 A N 0.118 122.846 122.820 -0.153 0.000 1.883 434 A HA -0.255 4.066 4.320 0.002 0.000 0.217 434 A C 2.366 179.938 177.584 -0.021 0.000 1.186 434 A CA 2.027 53.902 52.037 -0.269 0.000 0.624 434 A CB -0.533 18.056 19.000 -0.685 0.000 0.822 434 A HN 0.502 nan 8.150 nan 0.000 0.444 435 R N -0.515 120.024 120.500 0.065 0.000 2.083 435 R HA -0.167 4.174 4.340 0.002 0.000 0.237 435 R C 2.001 178.410 176.300 0.181 0.000 1.137 435 R CA 1.834 58.069 56.100 0.226 0.000 0.951 435 R CB -0.498 29.927 30.300 0.209 0.000 0.851 435 R HN 0.616 nan 8.270 nan 0.000 0.434 436 N N -0.514 118.281 118.700 0.159 0.000 2.223 436 N HA -0.164 4.577 4.740 0.002 0.000 0.185 436 N C 1.595 177.229 175.510 0.207 0.000 1.016 436 N CA 1.127 54.276 53.050 0.165 0.000 0.863 436 N CB -0.181 38.405 38.487 0.166 0.000 0.983 436 N HN 0.291 nan 8.380 nan 0.000 0.429 437 H N 0.531 119.702 119.070 0.169 0.000 2.389 437 H HA 0.102 4.660 4.556 0.002 0.000 0.299 437 H C 2.162 177.576 175.328 0.143 0.000 1.081 437 H CA 1.291 57.468 56.048 0.215 0.000 1.345 437 H CB 0.179 30.110 29.762 0.283 0.000 1.393 437 H HN 0.054 nan 8.280 nan 0.000 0.520 438 R N 0.391 121.013 120.500 0.203 0.000 2.066 438 R HA -0.110 4.231 4.340 0.002 0.000 0.232 438 R C 0.864 177.195 176.300 0.051 0.000 1.131 438 R CA 1.851 58.035 56.100 0.141 0.000 0.955 438 R CB -0.092 30.351 30.300 0.238 0.000 0.851 438 R HN 0.370 nan 8.270 nan 0.000 0.432 439 D N 0.365 120.803 120.400 0.062 0.000 2.378 439 D HA -0.049 4.592 4.640 0.002 0.000 0.227 439 D C 1.248 177.532 176.300 -0.026 0.000 1.012 439 D CA 0.876 54.890 54.000 0.024 0.000 0.905 439 D CB 0.267 41.094 40.800 0.045 0.000 0.895 439 D HN 0.408 nan 8.370 nan 0.000 0.532 440 A N -0.051 122.725 122.820 -0.073 0.000 2.123 440 A HA 0.391 4.712 4.320 0.002 0.000 0.214 440 A C 1.817 179.291 177.584 -0.183 0.000 1.152 440 A CA 1.027 52.961 52.037 -0.172 0.000 0.728 440 A CB 0.074 18.894 19.000 -0.300 0.000 0.814 440 A HN 0.249 nan 8.150 nan 0.000 0.464 441 G N -2.441 106.279 108.800 -0.134 0.000 2.138 441 G HA2 0.236 4.197 3.960 0.002 0.000 0.193 441 G HA3 0.236 4.197 3.960 0.002 0.000 0.193 441 G C 0.148 174.984 174.900 -0.106 0.000 0.998 441 G CA 0.117 45.156 45.100 -0.101 0.000 0.668 441 G HN 1.508 nan 8.290 nan 0.000 0.516 442 A N 0.066 122.795 122.820 -0.151 0.000 2.340 442 A HA 0.887 5.208 4.320 0.002 0.000 0.331 442 A C -2.467 175.156 177.584 0.064 0.000 1.140 442 A CA -1.719 50.262 52.037 -0.093 0.000 0.801 442 A CB 1.245 20.075 19.000 -0.284 0.000 1.234 442 A HN 0.049 nan 8.150 nan 0.000 0.469 443 P HA 0.171 nan 4.420 nan 0.000 0.260 443 P C -0.485 176.964 177.300 0.248 0.000 1.185 443 P CA 0.889 64.080 63.100 0.151 0.000 0.763 443 P CB 0.489 32.321 31.700 0.221 0.000 0.776 444 T N 3.495 118.073 114.554 0.040 0.000 2.876 444 T HA 0.578 4.930 4.350 0.002 0.000 0.289 444 T C -0.967 173.563 174.700 -0.283 0.000 1.014 444 T CA -0.261 61.880 62.100 0.068 0.000 0.986 444 T CB 0.845 69.814 68.868 0.170 0.000 1.021 444 T HN 0.113 nan 8.240 nan 0.000 0.458 445 Y N 0.826 121.084 120.300 -0.070 0.000 2.553 445 Y HA 0.702 5.253 4.550 0.002 0.000 0.347 445 Y C -0.088 175.784 175.900 -0.046 0.000 1.019 445 Y CA -1.154 56.886 58.100 -0.101 0.000 1.032 445 Y CB 2.127 40.213 38.460 -0.623 0.000 1.284 445 Y HN 0.339 nan 8.280 nan 0.000 0.466 446 M N 2.604 122.480 119.600 0.460 0.000 2.619 446 M HA 0.511 4.992 4.480 0.002 0.000 0.297 446 M C -1.653 175.034 176.300 0.644 0.000 1.229 446 M CA -0.967 54.509 55.300 0.294 0.000 0.860 446 M CB 3.331 35.948 32.600 0.027 0.000 1.741 446 M HN 0.793 nan 8.290 nan 0.000 0.462 447 Y N -1.194 119.304 120.300 0.331 0.000 2.625 447 Y HA 0.715 5.266 4.550 0.002 0.000 0.338 447 Y C -1.644 174.361 175.900 0.176 0.000 1.123 447 Y CA -0.892 57.364 58.100 0.259 0.000 1.046 447 Y CB 1.682 40.315 38.460 0.289 0.000 1.299 447 Y HN 0.702 nan 8.280 nan 0.000 0.464 448 E N 3.054 123.544 120.200 0.483 0.000 2.316 448 E HA 0.250 4.602 4.350 0.002 0.000 0.254 448 E C -2.174 174.707 176.600 0.468 0.000 0.902 448 E CA -0.750 55.855 56.400 0.341 0.000 0.801 448 E CB 1.066 30.861 29.700 0.157 0.000 1.270 448 E HN 0.654 nan 8.360 nan 0.000 0.414 449 F N 4.621 124.823 119.950 0.420 0.000 2.472 449 F HA 0.128 4.656 4.527 0.002 0.000 0.364 449 F C 0.043 175.967 175.800 0.208 0.000 1.090 449 F CA 0.178 58.346 58.000 0.280 0.000 1.188 449 F CB 0.572 39.746 39.000 0.292 0.000 1.105 449 F HN 0.373 nan 8.300 nan 0.000 0.536 450 Q N 6.965 126.638 119.800 -0.211 0.000 2.798 450 Q HA 0.309 4.650 4.340 0.002 0.000 0.250 450 Q C -1.837 174.044 176.000 -0.199 0.000 1.006 450 Q CA -0.720 55.020 55.803 -0.104 0.000 0.759 450 Q CB 1.333 30.069 28.738 -0.004 0.000 1.201 450 Q HN 0.714 nan 8.270 nan 0.000 0.486 451 Y N 0.595 120.640 120.300 -0.424 0.000 2.609 451 Y HA 0.462 5.014 4.550 0.002 0.000 0.336 451 Y C -1.656 174.219 175.900 -0.041 0.000 1.129 451 Y CA -1.100 56.812 58.100 -0.313 0.000 1.040 451 Y CB 2.174 40.298 38.460 -0.561 0.000 1.310 451 Y HN 0.503 nan 8.280 nan 0.000 0.460 452 R N 6.079 126.235 120.500 -0.573 0.000 2.310 452 R HA 0.460 4.801 4.340 0.002 0.000 0.316 452 R C -2.853 173.232 176.300 -0.358 0.000 1.004 452 R CA -2.079 53.836 56.100 -0.310 0.000 0.900 452 R CB 0.935 31.043 30.300 -0.319 0.000 1.152 452 R HN 0.405 nan 8.270 nan 0.000 0.513 453 P HA -0.044 nan 4.420 nan 0.000 0.267 453 P C 0.187 177.278 177.300 -0.348 0.000 1.200 453 P CA 0.148 63.218 63.100 -0.049 0.000 0.772 453 P CB 1.288 32.978 31.700 -0.017 0.000 0.855 454 S N 0.909 116.270 115.700 -0.564 0.000 2.603 454 S HA -0.025 4.447 4.470 0.002 0.000 0.229 454 S C 1.140 175.353 174.600 -0.646 0.000 0.972 454 S CA 0.248 58.087 58.200 -0.601 0.000 0.935 454 S CB -1.078 61.733 63.200 -0.649 0.000 0.769 454 S HN 0.405 nan 8.310 nan 0.000 0.536 455 F N 2.005 121.710 119.950 -0.409 0.000 2.765 455 F HA 0.338 4.867 4.527 0.002 0.000 0.302 455 F C 1.433 176.960 175.800 -0.455 0.000 1.111 455 F CA -0.586 57.109 58.000 -0.507 0.000 1.359 455 F CB -0.229 38.234 39.000 -0.895 0.000 1.097 455 F HN 0.056 nan 8.300 nan 0.000 0.577 456 S N 0.042 115.585 115.700 -0.262 0.000 2.580 456 S HA -0.003 4.469 4.470 0.002 0.000 0.261 456 S C 0.609 175.146 174.600 -0.106 0.000 1.366 456 S CA -0.438 57.673 58.200 -0.148 0.000 0.996 456 S CB 0.695 63.785 63.200 -0.183 0.000 0.902 456 S HN 0.251 nan 8.310 nan 0.000 0.566 457 S N -0.272 115.364 115.700 -0.107 0.000 2.614 457 S HA 0.102 4.574 4.470 0.002 0.000 0.265 457 S C 0.750 175.229 174.600 -0.202 0.000 1.303 457 S CA -0.687 57.458 58.200 -0.090 0.000 1.000 457 S CB 0.234 63.432 63.200 -0.003 0.000 0.935 457 S HN 0.627 nan 8.310 nan 0.000 0.551 458 D N 2.344 122.669 120.400 -0.125 0.000 2.149 458 D HA -0.076 4.565 4.640 0.002 0.000 0.201 458 D C 1.793 177.979 176.300 -0.189 0.000 0.972 458 D CA 1.293 55.212 54.000 -0.136 0.000 0.835 458 D CB -0.189 40.570 40.800 -0.069 0.000 0.966 458 D HN 0.578 nan 8.370 nan 0.000 0.476 459 M N 0.547 120.053 119.600 -0.157 0.000 2.446 459 M HA -0.092 4.389 4.480 0.002 0.000 0.263 459 M C 1.143 177.158 176.300 -0.474 0.000 1.066 459 M CA 0.712 55.936 55.300 -0.127 0.000 1.087 459 M CB -0.123 32.570 32.600 0.156 0.000 1.406 459 M HN -0.192 nan 8.290 nan 0.000 0.459 460 K N 3.083 122.869 120.400 -1.024 0.000 2.312 460 K HA 0.184 4.505 4.320 0.002 0.000 0.287 460 K C -2.261 173.933 176.600 -0.677 0.000 1.062 460 K CA -1.708 53.636 56.287 -1.573 0.000 0.934 460 K CB 0.674 32.243 32.500 -1.551 0.000 1.027 460 K HN -0.096 nan 8.250 nan 0.000 0.478 461 P HA -0.085 nan 4.420 nan 0.000 0.267 461 P C -0.448 176.729 177.300 -0.205 0.000 1.195 461 P CA 0.231 63.199 63.100 -0.221 0.000 0.773 461 P CB 0.583 32.220 31.700 -0.105 0.000 0.837 462 K N 0.539 120.848 120.400 -0.152 0.000 2.432 462 K HA -0.024 4.297 4.320 0.002 0.000 0.196 462 K C 1.664 178.194 176.600 -0.116 0.000 1.038 462 K CA 1.404 57.605 56.287 -0.144 0.000 0.986 462 K CB -0.314 32.111 32.500 -0.125 0.000 0.782 462 K HN 0.621 nan 8.250 nan 0.000 0.485 463 T N -1.599 112.905 114.554 -0.084 0.000 3.009 463 T HA 0.035 4.386 4.350 0.002 0.000 0.258 463 T C 1.059 175.737 174.700 -0.036 0.000 1.063 463 T CA -0.110 61.959 62.100 -0.053 0.000 1.139 463 T CB -0.126 68.728 68.868 -0.023 0.000 0.890 463 T HN -0.198 nan 8.240 nan 0.000 0.471 464 V N 2.940 122.834 119.914 -0.034 0.000 2.409 464 V HA 0.227 4.348 4.120 0.002 0.000 0.270 464 V C -0.001 176.090 176.094 -0.004 0.000 1.019 464 V CA 0.197 62.503 62.300 0.009 0.000 1.066 464 V CB -0.853 30.990 31.823 0.034 0.000 1.021 464 V HN 0.460 nan 8.190 nan 0.000 0.476 465 I N 4.107 124.686 120.570 0.015 0.000 2.433 465 I HA 0.593 4.764 4.170 0.002 0.000 0.292 465 I C 0.922 177.085 176.117 0.077 0.000 1.001 465 I CA -0.338 60.963 61.300 0.002 0.000 1.119 465 I CB 1.743 39.712 38.000 -0.052 0.000 1.289 465 I HN 0.735 nan 8.210 nan 0.000 0.438 466 G N 3.842 112.725 108.800 0.139 0.000 2.248 466 G HA2 -0.223 3.738 3.960 0.002 0.000 0.263 466 G HA3 -0.223 3.738 3.960 0.002 0.000 0.263 466 G C -0.302 174.743 174.900 0.241 0.000 1.082 466 G CA -0.107 45.144 45.100 0.252 0.000 0.863 466 G HN 0.706 nan 8.290 nan 0.000 0.495 467 D N -0.885 119.656 120.400 0.235 0.000 2.393 467 D HA 0.367 5.009 4.640 0.002 0.000 0.246 467 D C 0.892 177.342 176.300 0.250 0.000 1.275 467 D CA -0.435 53.712 54.000 0.245 0.000 0.979 467 D CB 0.348 41.321 40.800 0.287 0.000 1.101 467 D HN 0.348 nan 8.370 nan 0.000 0.505 468 H N -0.888 118.266 119.070 0.140 0.000 2.975 468 H HA 0.358 4.915 4.556 0.002 0.000 0.303 468 H C 1.098 176.527 175.328 0.167 0.000 1.023 468 H CA 1.442 57.544 56.048 0.090 0.000 1.473 468 H CB -0.044 29.755 29.762 0.062 0.000 1.498 468 H HN 0.562 nan 8.280 nan 0.000 0.549 469 G N 4.335 112.915 108.800 -0.368 0.000 2.157 469 G HA2 -0.304 3.657 3.960 0.002 0.000 0.248 469 G HA3 -0.304 3.657 3.960 0.002 0.000 0.248 469 G C 1.087 175.771 174.900 -0.361 0.000 0.979 469 G CA 0.426 45.196 45.100 -0.550 0.000 0.650 469 G HN 0.633 nan 8.290 nan 0.000 0.529 470 D N 0.843 121.227 120.400 -0.028 0.000 2.144 470 D HA -0.046 4.595 4.640 0.002 0.000 0.200 470 D C 2.450 178.753 176.300 0.004 0.000 0.978 470 D CA 1.310 55.439 54.000 0.216 0.000 0.833 470 D CB -0.090 40.951 40.800 0.403 0.000 0.961 470 D HN 0.677 nan 8.370 nan 0.000 0.470 471 E N 1.421 121.285 120.200 -0.560 0.000 2.265 471 E HA -0.171 4.180 4.350 0.002 0.000 0.196 471 E C 2.223 178.468 176.600 -0.593 0.000 0.996 471 E CA 0.379 56.023 56.400 -1.261 0.000 0.832 471 E CB -0.719 28.244 29.700 -1.228 0.000 0.756 471 E HN 0.342 nan 8.360 nan 0.000 0.491 472 L N -0.213 120.739 121.223 -0.451 0.000 2.043 472 L HA -0.200 4.141 4.340 0.002 0.000 0.212 472 L C 2.637 179.264 176.870 -0.404 0.000 1.075 472 L CA 1.833 56.405 54.840 -0.447 0.000 0.752 472 L CB -0.691 40.941 42.059 -0.712 0.000 0.891 472 L HN 0.047 nan 8.230 nan 0.000 0.432 473 F N -0.532 119.347 119.950 -0.119 0.000 2.216 473 F HA -0.196 4.332 4.527 0.002 0.000 0.300 473 F C 2.657 178.452 175.800 -0.008 0.000 1.085 473 F CA 1.264 59.247 58.000 -0.028 0.000 1.326 473 F CB -0.599 38.507 39.000 0.177 0.000 1.027 473 F HN -0.007 nan 8.300 nan 0.000 0.497 474 S N -0.123 115.624 115.700 0.078 0.000 2.348 474 S HA -0.101 4.371 4.470 0.002 0.000 0.219 474 S C 2.301 176.789 174.600 -0.186 0.000 1.033 474 S CA 1.000 59.191 58.200 -0.015 0.000 0.974 474 S CB -0.569 62.607 63.200 -0.040 0.000 0.868 474 S HN 0.112 nan 8.310 nan 0.000 0.459 475 V N 0.774 120.465 119.914 -0.371 0.000 2.392 475 V HA -0.139 3.983 4.120 0.002 0.000 0.249 475 V C 1.270 177.077 176.094 -0.478 0.000 1.059 475 V CA 1.612 63.582 62.300 -0.551 0.000 1.051 475 V CB -0.641 30.818 31.823 -0.607 0.000 0.658 475 V HN 0.444 nan 8.190 nan 0.000 0.455 476 F N 0.245 120.003 119.950 -0.320 0.000 2.668 476 F HA 0.475 5.003 4.527 0.002 0.000 0.297 476 F C 1.619 177.303 175.800 -0.194 0.000 1.124 476 F CA 0.296 58.128 58.000 -0.280 0.000 1.353 476 F CB -0.190 38.606 39.000 -0.340 0.000 0.992 476 F HN 0.212 nan 8.300 nan 0.000 0.524 477 G N 0.798 109.585 108.800 -0.021 0.000 2.341 477 G HA2 -0.342 3.619 3.960 0.002 0.000 0.292 477 G HA3 -0.342 3.619 3.960 0.002 0.000 0.292 477 G C 1.404 176.417 174.900 0.187 0.000 1.021 477 G CA 0.413 45.587 45.100 0.122 0.000 0.905 477 G HN 0.605 nan 8.290 nan 0.000 0.508 478 A N 0.269 123.128 122.820 0.065 0.000 1.958 478 A HA 0.002 4.323 4.320 0.002 0.000 0.221 478 A C 0.712 178.223 177.584 -0.122 0.000 1.178 478 A CA 2.283 54.242 52.037 -0.130 0.000 0.642 478 A CB -0.933 17.891 19.000 -0.293 0.000 0.816 478 A HN 0.495 nan 8.150 nan 0.000 0.453 479 P HA -0.132 nan 4.420 nan 0.000 0.219 479 P C 0.592 177.733 177.300 -0.265 0.000 1.146 479 P CA 1.014 64.089 63.100 -0.042 0.000 0.808 479 P CB -0.155 31.361 31.700 -0.305 0.000 0.779 480 F N -2.541 117.424 119.950 0.024 0.000 2.776 480 F HA 0.197 4.726 4.527 0.002 0.000 0.300 480 F C 1.770 177.592 175.800 0.036 0.000 1.116 480 F CA 0.485 58.511 58.000 0.044 0.000 1.375 480 F CB -0.476 38.538 39.000 0.023 0.000 1.109 480 F HN -0.171 nan 8.300 nan 0.000 0.585 481 L N -1.715 119.589 121.223 0.136 0.000 2.685 481 L HA 0.216 4.557 4.340 0.002 0.000 0.235 481 L C 1.154 178.034 176.870 0.016 0.000 1.070 481 L CA 0.171 55.051 54.840 0.067 0.000 0.888 481 L CB 0.070 42.143 42.059 0.022 0.000 1.203 481 L HN -0.197 nan 8.230 nan 0.000 0.499 482 K N 0.590 120.970 120.400 -0.034 0.000 2.520 482 K HA 0.375 4.696 4.320 0.002 0.000 0.256 482 K C -0.550 176.106 176.600 0.092 0.000 1.033 482 K CA -0.479 55.792 56.287 -0.026 0.000 1.007 482 K CB 1.005 33.358 32.500 -0.246 0.000 1.330 482 K HN -0.204 nan 8.250 nan 0.000 0.507 483 E N -1.538 118.758 120.200 0.161 0.000 2.288 483 E HA 0.380 4.731 4.350 0.002 0.000 0.268 483 E C -0.478 176.202 176.600 0.134 0.000 0.885 483 E CA 0.032 56.508 56.400 0.126 0.000 0.767 483 E CB 1.685 31.429 29.700 0.073 0.000 1.220 483 E HN 0.642 nan 8.360 nan 0.000 0.427 484 G N 1.946 110.777 108.800 0.051 0.000 2.132 484 G HA2 -0.164 3.797 3.960 0.002 0.000 0.234 484 G HA3 -0.164 3.797 3.960 0.002 0.000 0.234 484 G C 0.152 174.998 174.900 -0.089 0.000 0.989 484 G CA -0.077 45.010 45.100 -0.020 0.000 0.676 484 G HN 0.771 nan 8.290 nan 0.000 0.522 485 A N 0.592 123.379 122.820 -0.054 0.000 2.450 485 A HA 0.711 5.033 4.320 0.002 0.000 0.255 485 A C 1.129 178.647 177.584 -0.109 0.000 1.096 485 A CA 0.870 52.833 52.037 -0.124 0.000 0.778 485 A CB 0.287 19.259 19.000 -0.046 0.000 1.031 485 A HN 2.003 nan 8.150 nan 0.000 0.494 486 S N 1.464 117.094 115.700 -0.116 0.000 2.589 486 S HA 0.120 4.592 4.470 0.002 0.000 0.265 486 S C 0.842 175.403 174.600 -0.065 0.000 1.342 486 S CA 0.409 58.563 58.200 -0.076 0.000 1.005 486 S CB 0.761 63.926 63.200 -0.060 0.000 0.909 486 S HN 0.768 nan 8.310 nan 0.000 0.555 487 E N 0.332 120.504 120.200 -0.047 0.000 2.268 487 E HA -0.144 4.207 4.350 0.002 0.000 0.195 487 E C 1.762 178.341 176.600 -0.035 0.000 0.995 487 E CA 1.437 57.814 56.400 -0.039 0.000 0.836 487 E CB -0.202 29.485 29.700 -0.022 0.000 0.763 487 E HN 0.810 nan 8.360 nan 0.000 0.491 488 E N 0.037 120.220 120.200 -0.028 0.000 2.107 488 E HA -0.181 4.170 4.350 0.002 0.000 0.191 488 E C 1.771 178.338 176.600 -0.055 0.000 0.982 488 E CA 0.833 57.220 56.400 -0.022 0.000 0.809 488 E CB 0.023 29.732 29.700 0.015 0.000 0.756 488 E HN 0.373 nan 8.360 nan 0.000 0.459 489 E N 0.231 120.402 120.200 -0.047 0.000 2.112 489 E HA -0.106 4.245 4.350 0.002 0.000 0.190 489 E C 2.198 178.740 176.600 -0.097 0.000 0.979 489 E CA 0.504 56.853 56.400 -0.084 0.000 0.814 489 E CB 0.052 29.737 29.700 -0.024 0.000 0.762 489 E HN 0.284 nan 8.360 nan 0.000 0.460 490 I N 0.579 121.078 120.570 -0.118 0.000 2.264 490 I HA -0.293 3.878 4.170 0.002 0.000 0.248 490 I C 2.549 178.653 176.117 -0.022 0.000 1.111 490 I CA 1.120 62.304 61.300 -0.193 0.000 1.382 490 I CB -0.176 37.693 38.000 -0.219 0.000 1.060 490 I HN 0.031 nan 8.210 nan 0.000 0.418 491 R N 0.042 120.533 120.500 -0.015 0.000 2.073 491 R HA -0.140 4.202 4.340 0.002 0.000 0.229 491 R C 2.280 178.573 176.300 -0.013 0.000 1.120 491 R CA 1.061 57.170 56.100 0.014 0.000 0.967 491 R CB -0.431 29.863 30.300 -0.010 0.000 0.862 491 R HN 0.191 nan 8.270 nan 0.000 0.436 492 L N 0.576 121.750 121.223 -0.082 0.000 2.012 492 L HA -0.208 4.134 4.340 0.002 0.000 0.210 492 L C 2.279 179.123 176.870 -0.044 0.000 1.073 492 L CA 1.930 56.695 54.840 -0.125 0.000 0.748 492 L CB -0.804 41.061 42.059 -0.324 0.000 0.891 492 L HN 0.060 nan 8.230 nan 0.000 0.431 493 S N -1.006 114.700 115.700 0.011 0.000 2.356 493 S HA -0.227 4.244 4.470 0.002 0.000 0.223 493 S C 2.095 176.746 174.600 0.084 0.000 1.032 493 S CA 1.521 59.765 58.200 0.074 0.000 1.005 493 S CB -0.219 63.108 63.200 0.210 0.000 0.867 493 S HN 0.510 nan 8.310 nan 0.000 0.449 494 K N 0.364 120.870 120.400 0.177 0.000 2.074 494 K HA -0.179 4.142 4.320 0.002 0.000 0.209 494 K C 2.312 178.924 176.600 0.019 0.000 1.048 494 K CA 1.938 58.307 56.287 0.137 0.000 0.926 494 K CB -0.312 32.310 32.500 0.204 0.000 0.713 494 K HN 0.486 nan 8.250 nan 0.000 0.444 495 M N 0.673 120.259 119.600 -0.024 0.000 2.059 495 M HA -0.182 4.299 4.480 0.002 0.000 0.259 495 M C 2.037 178.294 176.300 -0.072 0.000 1.072 495 M CA 1.578 56.802 55.300 -0.125 0.000 1.117 495 M CB -0.043 32.480 32.600 -0.129 0.000 1.320 495 M HN -0.053 nan 8.290 nan 0.000 0.408 496 V N 1.260 121.174 119.914 0.001 0.000 2.324 496 V HA -0.356 3.765 4.120 0.002 0.000 0.250 496 V C 2.448 178.529 176.094 -0.021 0.000 1.060 496 V CA 2.247 64.540 62.300 -0.012 0.000 1.042 496 V CB -0.731 30.918 31.823 -0.290 0.000 0.650 496 V HN 0.584 nan 8.190 nan 0.000 0.450 497 M N -1.237 118.313 119.600 -0.082 0.000 2.077 497 M HA -0.142 4.339 4.480 0.002 0.000 0.261 497 M C 2.395 178.748 176.300 0.089 0.000 1.070 497 M CA 1.631 56.897 55.300 -0.057 0.000 1.125 497 M CB -0.624 31.901 32.600 -0.124 0.000 1.339 497 M HN 0.145 nan 8.290 nan 0.000 0.409 498 K N 0.466 120.900 120.400 0.058 0.000 2.034 498 K HA -0.153 4.169 4.320 0.002 0.000 0.214 498 K C 1.860 178.581 176.600 0.201 0.000 1.051 498 K CA 1.824 58.148 56.287 0.063 0.000 0.931 498 K CB -0.702 31.766 32.500 -0.053 0.000 0.715 498 K HN 0.346 nan 8.250 nan 0.000 0.446 499 F N -0.612 119.465 119.950 0.212 0.000 2.069 499 F HA -0.273 4.255 4.527 0.002 0.000 0.298 499 F C 2.625 178.618 175.800 0.322 0.000 1.113 499 F CA 0.701 58.888 58.000 0.311 0.000 1.214 499 F CB -0.230 39.080 39.000 0.516 0.000 0.978 499 F HN 0.256 nan 8.300 nan 0.000 0.474 500 W N 0.118 121.523 121.300 0.175 0.000 2.354 500 W HA -0.257 4.404 4.660 0.002 0.000 0.315 500 W C 2.655 179.175 176.519 0.002 0.000 1.206 500 W CA 0.996 58.348 57.345 0.011 0.000 1.290 500 W CB -0.675 28.723 29.460 -0.104 0.000 1.152 500 W HN 0.005 nan 8.180 nan 0.000 0.489 501 A N 0.708 123.655 122.820 0.211 0.000 1.940 501 A HA -0.254 4.067 4.320 0.002 0.000 0.219 501 A C 1.692 179.325 177.584 0.081 0.000 1.176 501 A CA 1.999 54.087 52.037 0.085 0.000 0.631 501 A CB -1.039 17.996 19.000 0.057 0.000 0.814 501 A HN 0.304 nan 8.150 nan 0.000 0.446 502 N N -1.002 117.777 118.700 0.131 0.000 2.120 502 N HA -0.139 4.602 4.740 0.002 0.000 0.188 502 N C 1.431 176.976 175.510 0.058 0.000 1.024 502 N CA 1.436 54.545 53.050 0.099 0.000 0.852 502 N CB -0.620 37.959 38.487 0.153 0.000 1.003 502 N HN 0.506 nan 8.380 nan 0.000 0.424 503 F N 2.003 121.876 119.950 -0.128 0.000 2.046 503 F HA -0.144 4.384 4.527 0.002 0.000 0.297 503 F C 2.286 177.993 175.800 -0.154 0.000 1.123 503 F CA 1.445 59.301 58.000 -0.239 0.000 1.199 503 F CB -0.785 37.974 39.000 -0.403 0.000 0.972 503 F HN 0.052 nan 8.300 nan 0.000 0.474 504 A N 0.193 122.983 122.820 -0.048 0.000 1.997 504 A HA -0.265 4.056 4.320 0.002 0.000 0.221 504 A C 2.364 179.876 177.584 -0.121 0.000 1.172 504 A CA 2.170 54.142 52.037 -0.108 0.000 0.645 504 A CB -0.725 18.237 19.000 -0.064 0.000 0.813 504 A HN 0.517 nan 8.150 nan 0.000 0.454 505 R N -1.259 119.188 120.500 -0.089 0.000 2.066 505 R HA 0.038 4.379 4.340 0.002 0.000 0.224 505 R C 0.616 176.853 176.300 -0.106 0.000 1.122 505 R CA 1.281 57.338 56.100 -0.071 0.000 0.974 505 R CB -0.058 30.227 30.300 -0.025 0.000 0.871 505 R HN 0.550 nan 8.270 nan 0.000 0.435 506 N N -1.001 117.619 118.700 -0.132 0.000 2.170 506 N HA 0.083 4.824 4.740 0.002 0.000 0.222 506 N C 0.215 175.599 175.510 -0.209 0.000 1.218 506 N CA 0.664 53.636 53.050 -0.129 0.000 0.889 506 N CB 1.923 40.376 38.487 -0.056 0.000 1.083 506 N HN 0.293 nan 8.380 nan 0.000 0.520 507 G N 2.085 110.614 108.800 -0.451 0.000 2.249 507 G HA2 -0.276 3.685 3.960 0.002 0.000 0.273 507 G HA3 -0.276 3.685 3.960 0.002 0.000 0.273 507 G C -0.227 174.517 174.900 -0.259 0.000 1.036 507 G CA 0.330 45.012 45.100 -0.696 0.000 0.824 507 G HN 0.474 nan 8.290 nan 0.000 0.504 508 N N -0.752 117.855 118.700 -0.154 0.000 2.648 508 N HA 0.274 5.015 4.740 0.002 0.000 0.272 508 N C -1.461 173.962 175.510 -0.146 0.000 1.118 508 N CA -0.986 51.971 53.050 -0.156 0.000 0.973 508 N CB 1.878 40.359 38.487 -0.009 0.000 1.565 508 N HN -0.055 nan 8.380 nan 0.000 0.542 509 P HA -0.102 nan 4.420 nan 0.000 0.218 509 P C 0.054 177.482 177.300 0.213 0.000 1.149 509 P CA 0.700 63.691 63.100 -0.182 0.000 0.817 509 P CB 0.291 31.515 31.700 -0.793 0.000 0.785 510 N N 0.739 119.523 118.700 0.140 0.000 2.305 510 N HA 0.212 4.953 4.740 0.002 0.000 0.232 510 N C 0.984 176.640 175.510 0.243 0.000 1.274 510 N CA 1.481 54.716 53.050 0.309 0.000 0.870 510 N CB 0.081 38.721 38.487 0.256 0.000 1.105 510 N HN 0.211 nan 8.380 nan 0.000 0.436 511 G N -0.621 108.319 108.800 0.234 0.000 2.338 511 G HA2 0.193 4.154 3.960 0.002 0.000 0.295 511 G HA3 0.193 4.154 3.960 0.002 0.000 0.295 511 G C -1.404 173.568 174.900 0.120 0.000 1.461 511 G CA -0.776 44.411 45.100 0.145 0.000 0.817 511 G HN 0.612 nan 8.290 nan 0.000 0.556 512 E N -0.704 119.544 120.200 0.081 0.000 2.383 512 E HA 0.470 4.821 4.350 0.002 0.000 0.264 512 E C 1.072 177.692 176.600 0.033 0.000 1.050 512 E CA 0.270 56.708 56.400 0.062 0.000 0.896 512 E CB 1.136 30.864 29.700 0.047 0.000 0.982 512 E HN 2.220 nan 8.360 nan 0.000 0.424 513 G N 2.294 111.111 108.800 0.027 0.000 2.176 513 G HA2 -0.240 3.721 3.960 0.002 0.000 0.253 513 G HA3 -0.240 3.721 3.960 0.002 0.000 0.253 513 G C -0.105 174.772 174.900 -0.038 0.000 0.979 513 G CA 0.263 45.362 45.100 -0.002 0.000 0.641 513 G HN 0.424 nan 8.290 nan 0.000 0.530 514 L N 0.250 121.457 121.223 -0.027 0.000 2.370 514 L HA 0.570 4.911 4.340 0.002 0.000 0.266 514 L C -1.908 175.021 176.870 0.098 0.000 1.002 514 L CA -2.459 52.313 54.840 -0.113 0.000 0.818 514 L CB 1.864 43.695 42.059 -0.381 0.000 1.325 514 L HN -0.138 nan 8.230 nan 0.000 0.418 515 P HA -0.034 nan 4.420 nan 0.000 0.272 515 P C -1.067 176.488 177.300 0.425 0.000 1.243 515 P CA -0.100 63.160 63.100 0.268 0.000 0.803 515 P CB 0.262 32.112 31.700 0.250 0.000 0.974 516 H N 0.042 119.263 119.070 0.252 0.000 2.580 516 H HA 0.273 4.831 4.556 0.002 0.000 0.322 516 H C -1.199 174.321 175.328 0.319 0.000 1.082 516 H CA -0.286 55.929 56.048 0.277 0.000 1.383 516 H CB 0.292 30.165 29.762 0.185 0.000 1.450 516 H HN 0.328 nan 8.280 nan 0.000 0.505 517 W N 9.750 130.801 121.300 -0.414 0.000 2.299 517 W HA 0.307 4.968 4.660 0.002 0.000 0.319 517 W C -2.744 173.590 176.519 -0.309 0.000 1.008 517 W CA -3.140 54.035 57.345 -0.283 0.000 1.384 517 W CB 0.738 30.024 29.460 -0.288 0.000 1.220 517 W HN 0.578 nan 8.180 nan 0.000 0.402 518 P HA -0.042 nan 4.420 nan 0.000 0.266 518 P C -0.159 177.314 177.300 0.287 0.000 1.195 518 P CA 0.454 63.668 63.100 0.190 0.000 0.768 518 P CB 1.221 33.023 31.700 0.171 0.000 0.838 519 E N 2.044 122.285 120.200 0.069 0.000 2.383 519 E HA -0.011 4.340 4.350 0.002 0.000 0.264 519 E C -0.869 175.649 176.600 -0.137 0.000 1.050 519 E CA -0.585 55.611 56.400 -0.340 0.000 0.896 519 E CB 0.251 29.754 29.700 -0.329 0.000 0.982 519 E HN 0.377 nan 8.360 nan 0.000 0.424 520 Y N 5.570 125.692 120.300 -0.297 0.000 2.573 520 Y HA 0.052 4.604 4.550 0.002 0.000 0.346 520 Y C -0.279 175.580 175.900 -0.068 0.000 1.198 520 Y CA -0.247 57.807 58.100 -0.077 0.000 1.627 520 Y CB -0.589 37.846 38.460 -0.041 0.000 1.457 520 Y HN 0.495 nan 8.280 nan 0.000 0.483 521 N N 0.443 119.015 118.700 -0.213 0.000 2.909 521 N HA 0.114 4.855 4.740 0.002 0.000 0.326 521 N C 0.747 176.130 175.510 -0.212 0.000 1.368 521 N CA -0.368 52.597 53.050 -0.141 0.000 0.797 521 N CB 0.169 38.608 38.487 -0.079 0.000 1.150 521 N HN 0.237 nan 8.380 nan 0.000 0.550 522 Q N -0.360 119.372 119.800 -0.113 0.000 2.170 522 Q HA -0.044 4.297 4.340 0.002 0.000 0.203 522 Q C 1.359 177.288 176.000 -0.118 0.000 0.976 522 Q CA 1.412 57.158 55.803 -0.095 0.000 0.858 522 Q CB -0.452 28.260 28.738 -0.043 0.000 0.907 522 Q HN 0.528 nan 8.270 nan 0.000 0.433 523 K N 0.888 121.220 120.400 -0.114 0.000 2.209 523 K HA -0.100 4.221 4.320 0.002 0.000 0.204 523 K C 0.189 176.703 176.600 -0.144 0.000 1.048 523 K CA 0.408 56.642 56.287 -0.089 0.000 0.940 523 K CB 0.136 32.604 32.500 -0.053 0.000 0.729 523 K HN 0.230 nan 8.250 nan 0.000 0.451 524 E N -0.920 119.087 120.200 -0.323 0.000 2.358 524 E HA -0.137 4.214 4.350 0.002 0.000 0.246 524 E C -0.275 176.205 176.600 -0.201 0.000 1.127 524 E CA 0.110 56.145 56.400 -0.609 0.000 0.726 524 E CB -1.768 27.709 29.700 -0.372 0.000 1.272 524 E HN 0.462 nan 8.360 nan 0.000 0.390 525 G N 0.755 109.494 108.800 -0.101 0.000 2.403 525 G HA2 0.431 4.392 3.960 0.002 0.000 0.259 525 G HA3 0.431 4.392 3.960 0.002 0.000 0.259 525 G C -0.299 174.783 174.900 0.302 0.000 1.244 525 G CA -0.001 45.138 45.100 0.064 0.000 0.849 525 G HN 0.278 nan 8.290 nan 0.000 0.532 526 Y N 0.237 120.654 120.300 0.195 0.000 2.805 526 Y HA 0.783 5.334 4.550 0.002 0.000 0.323 526 Y C -1.369 174.532 175.900 0.002 0.000 1.279 526 Y CA -1.992 56.261 58.100 0.255 0.000 1.103 526 Y CB 1.727 40.348 38.460 0.270 0.000 1.324 526 Y HN 0.523 nan 8.280 nan 0.000 0.498 527 L N 2.195 123.417 121.223 -0.003 0.000 2.349 527 L HA 0.461 4.803 4.340 0.002 0.000 0.278 527 L C -1.140 175.696 176.870 -0.057 0.000 0.996 527 L CA -0.702 53.878 54.840 -0.433 0.000 0.825 527 L CB 1.862 43.031 42.059 -1.485 0.000 1.243 527 L HN 0.749 nan 8.230 nan 0.000 0.412 528 Q N 5.942 125.719 119.800 -0.039 0.000 2.294 528 Q HA 0.463 4.804 4.340 0.002 0.000 0.257 528 Q C -0.896 175.100 176.000 -0.006 0.000 0.955 528 Q CA -0.026 55.833 55.803 0.093 0.000 0.936 528 Q CB 1.628 30.409 28.738 0.071 0.000 1.188 528 Q HN 0.594 nan 8.270 nan 0.000 0.420 529 I N 1.540 122.125 120.570 0.025 0.000 2.460 529 I HA 0.735 4.906 4.170 0.002 0.000 0.298 529 I C 0.574 176.577 176.117 -0.190 0.000 0.989 529 I CA -0.375 60.900 61.300 -0.041 0.000 1.173 529 I CB 1.868 39.901 38.000 0.055 0.000 1.338 529 I HN 0.812 nan 8.210 nan 0.000 0.456 530 G N 2.797 111.482 108.800 -0.191 0.000 2.352 530 G HA2 0.256 4.217 3.960 0.002 0.000 0.283 530 G HA3 0.256 4.217 3.960 0.002 0.000 0.283 530 G C 0.319 175.148 174.900 -0.119 0.000 1.308 530 G CA -0.111 44.843 45.100 -0.243 0.000 0.892 530 G HN 0.691 nan 8.290 nan 0.000 0.504 531 A N -0.534 122.291 122.820 0.007 0.000 1.954 531 A HA -0.116 4.205 4.320 0.002 0.000 0.222 531 A C 1.143 178.725 177.584 -0.004 0.000 1.199 531 A CA 2.289 54.348 52.037 0.038 0.000 0.657 531 A CB -0.410 18.652 19.000 0.105 0.000 0.823 531 A HN 0.652 nan 8.150 nan 0.000 0.463 532 N N 0.132 118.828 118.700 -0.007 0.000 2.569 532 N HA 0.254 4.996 4.740 0.002 0.000 0.254 532 N C -1.489 174.012 175.510 -0.016 0.000 1.004 532 N CA 0.015 53.060 53.050 -0.008 0.000 0.904 532 N CB 1.233 39.719 38.487 -0.001 0.000 1.165 532 N HN 0.144 nan 8.380 nan 0.000 0.513 533 T N 3.469 118.016 114.554 -0.012 0.000 2.762 533 T HA 0.253 4.605 4.350 0.002 0.000 0.303 533 T C 0.055 174.755 174.700 0.000 0.000 0.977 533 T CA -0.483 61.613 62.100 -0.006 0.000 0.961 533 T CB 0.622 69.507 68.868 0.028 0.000 0.944 533 T HN 0.425 nan 8.240 nan 0.000 0.481 534 Q N 1.905 121.686 119.800 -0.032 0.000 2.435 534 Q HA 0.704 5.046 4.340 0.002 0.000 0.282 534 Q C -1.154 174.781 176.000 -0.108 0.000 1.020 534 Q CA -1.138 54.643 55.803 -0.037 0.000 0.820 534 Q CB 1.670 30.396 28.738 -0.020 0.000 1.436 534 Q HN 0.507 nan 8.270 nan 0.000 0.395 535 A N 1.011 123.765 122.820 -0.111 0.000 2.346 535 A HA 0.834 5.155 4.320 0.002 0.000 0.255 535 A C -0.069 177.343 177.584 -0.285 0.000 1.113 535 A CA 0.628 52.542 52.037 -0.204 0.000 0.798 535 A CB 0.088 19.033 19.000 -0.091 0.000 1.073 535 A HN 1.357 nan 8.150 nan 0.000 0.502 536 A N -1.060 121.466 122.820 -0.490 0.000 2.806 536 A HA 0.714 5.035 4.320 0.002 0.000 0.310 536 A C -0.909 176.398 177.584 -0.461 0.000 1.169 536 A CA -0.412 51.318 52.037 -0.511 0.000 0.621 536 A CB 0.579 19.164 19.000 -0.692 0.000 1.412 536 A HN 0.846 nan 8.150 nan 0.000 0.576 537 Q N -0.750 118.919 119.800 -0.218 0.000 2.565 537 Q HA 0.501 4.843 4.340 0.002 0.000 0.294 537 Q C -1.401 174.800 176.000 0.335 0.000 1.005 537 Q CA -1.037 54.811 55.803 0.075 0.000 0.771 537 Q CB 1.958 30.710 28.738 0.024 0.000 1.486 537 Q HN 0.622 nan 8.270 nan 0.000 0.422 538 K N 1.084 121.641 120.400 0.260 0.000 3.540 538 K HA -0.226 4.095 4.320 0.002 0.000 0.274 538 K C -0.447 176.306 176.600 0.255 0.000 0.890 538 K CA 0.059 56.478 56.287 0.220 0.000 0.701 538 K CB -1.338 31.242 32.500 0.133 0.000 1.523 538 K HN 0.365 nan 8.250 nan 0.000 0.450 539 L N 1.670 123.036 121.223 0.239 0.000 2.540 539 L HA -0.057 4.284 4.340 0.002 0.000 0.276 539 L C 0.750 177.625 176.870 0.008 0.000 1.212 539 L CA 0.813 55.587 54.840 -0.110 0.000 0.893 539 L CB 0.342 41.968 42.059 -0.720 0.000 1.138 539 L HN 0.355 nan 8.230 nan 0.000 0.491 540 K N 2.379 122.797 120.400 0.030 0.000 3.185 540 K HA -0.324 3.997 4.320 0.002 0.000 0.298 540 K C 1.175 177.850 176.600 0.125 0.000 1.178 540 K CA 1.314 57.654 56.287 0.088 0.000 0.882 540 K CB -1.525 31.023 32.500 0.079 0.000 1.218 540 K HN 0.976 nan 8.250 nan 0.000 0.454 541 D N 1.092 121.565 120.400 0.121 0.000 2.154 541 D HA -0.218 4.424 4.640 0.002 0.000 0.190 541 D C 1.730 178.106 176.300 0.126 0.000 1.003 541 D CA 1.971 56.047 54.000 0.126 0.000 0.849 541 D CB 0.133 41.001 40.800 0.114 0.000 0.942 541 D HN 0.537 nan 8.370 nan 0.000 0.446 542 K N 0.106 120.571 120.400 0.108 0.000 2.044 542 K HA -0.221 4.100 4.320 0.002 0.000 0.210 542 K C 2.134 178.827 176.600 0.155 0.000 1.049 542 K CA 1.743 58.086 56.287 0.094 0.000 0.927 542 K CB 0.033 32.557 32.500 0.042 0.000 0.713 542 K HN 0.027 nan 8.250 nan 0.000 0.443 543 E N 0.076 120.403 120.200 0.211 0.000 2.072 543 E HA -0.141 4.211 4.350 0.002 0.000 0.191 543 E C 1.921 178.802 176.600 0.468 0.000 0.985 543 E CA 1.262 57.902 56.400 0.399 0.000 0.801 543 E CB -0.120 29.860 29.700 0.467 0.000 0.750 543 E HN 0.085 nan 8.360 nan 0.000 0.452 544 V N 1.172 121.273 119.914 0.311 0.000 2.392 544 V HA -0.303 3.818 4.120 0.002 0.000 0.249 544 V C 2.218 178.447 176.094 0.225 0.000 1.059 544 V CA 1.847 64.303 62.300 0.260 0.000 1.051 544 V CB -0.974 30.956 31.823 0.177 0.000 0.658 544 V HN 0.350 nan 8.190 nan 0.000 0.455 545 A N -0.066 122.868 122.820 0.190 0.000 1.858 545 A HA -0.215 4.107 4.320 0.002 0.000 0.216 545 A C 2.109 179.771 177.584 0.129 0.000 1.190 545 A CA 1.999 54.121 52.037 0.142 0.000 0.617 545 A CB -0.719 18.354 19.000 0.121 0.000 0.827 545 A HN 0.509 nan 8.150 nan 0.000 0.443 546 F N -0.584 119.363 119.950 -0.005 0.000 2.046 546 F HA -0.199 4.329 4.527 0.002 0.000 0.297 546 F C 2.039 177.724 175.800 -0.192 0.000 1.123 546 F CA 1.748 59.657 58.000 -0.150 0.000 1.199 546 F CB -0.942 37.882 39.000 -0.294 0.000 0.972 546 F HN 0.377 nan 8.300 nan 0.000 0.474 547 W N 0.716 121.782 121.300 -0.391 0.000 2.342 547 W HA -0.185 4.476 4.660 0.002 0.000 0.297 547 W C 2.631 178.945 176.519 -0.342 0.000 1.213 547 W CA 1.872 58.873 57.345 -0.573 0.000 1.251 547 W CB -1.203 28.134 29.460 -0.205 0.000 1.136 547 W HN -0.060 nan 8.180 nan 0.000 0.526 548 T N 0.643 115.261 114.554 0.106 0.000 2.699 548 T HA -0.235 4.117 4.350 0.002 0.000 0.268 548 T C 1.449 176.180 174.700 0.052 0.000 1.036 548 T CA 1.802 63.981 62.100 0.133 0.000 1.147 548 T CB -0.418 68.519 68.868 0.115 0.000 0.862 548 T HN 0.197 nan 8.240 nan 0.000 0.446 549 N N 1.132 119.792 118.700 -0.068 0.000 2.173 549 N HA 0.019 4.760 4.740 0.002 0.000 0.184 549 N C 1.865 177.292 175.510 -0.138 0.000 1.025 549 N CA 0.527 53.532 53.050 -0.075 0.000 0.852 549 N CB -0.797 37.643 38.487 -0.079 0.000 0.998 549 N HN 0.188 nan 8.380 nan 0.000 0.427 550 L N 1.163 122.159 121.223 -0.379 0.000 1.997 550 L HA -0.121 4.220 4.340 0.002 0.000 0.216 550 L C 2.017 178.784 176.870 -0.171 0.000 1.074 550 L CA 1.612 56.194 54.840 -0.430 0.000 0.763 550 L CB -1.008 40.498 42.059 -0.921 0.000 0.890 550 L HN 0.071 nan 8.230 nan 0.000 0.434 551 F N -0.818 119.107 119.950 -0.042 0.000 2.293 551 F HA -0.135 4.393 4.527 0.002 0.000 0.300 551 F C 2.308 178.112 175.800 0.007 0.000 1.086 551 F CA 0.393 58.404 58.000 0.018 0.000 1.375 551 F CB -0.369 38.655 39.000 0.039 0.000 1.045 551 F HN 0.243 nan 8.300 nan 0.000 0.516 552 A N 0.009 122.927 122.820 0.164 0.000 2.248 552 A HA -0.004 4.318 4.320 0.002 0.000 0.210 552 A C 0.869 178.497 177.584 0.073 0.000 1.174 552 A CA 0.768 52.863 52.037 0.097 0.000 0.750 552 A CB -0.500 18.535 19.000 0.057 0.000 0.780 552 A HN 0.418 nan 8.150 nan 0.000 0.478 553 K N 0.000 120.447 120.400 0.078 0.000 2.780 553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 553 K CA 0.000 56.322 56.287 0.058 0.000 0.838 553 K CB 0.000 32.537 32.500 0.061 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543