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 2p83_1_A DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLcGAXXX XXXXXXXXSV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVX XXXXXQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSAcH VHDEFRTAAV EGPFVTLDME DCGYN 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.672 176.600 0.121 0.000 1.382 1 E CA 0.000 56.460 56.400 0.099 0.000 0.976 1 E CB 0.000 29.759 29.700 0.098 0.000 0.812 2 M N 0.670 120.327 119.600 0.096 0.000 2.313 2 M HA 0.162 4.641 4.480 -0.000 0.000 0.273 2 M C 1.671 178.009 176.300 0.064 0.000 1.049 2 M CA 0.113 55.472 55.300 0.098 0.000 1.004 2 M CB 0.758 33.421 32.600 0.105 0.000 1.461 2 M HN -0.101 nan 8.290 nan 0.000 0.514 3 V N 0.856 120.797 119.914 0.045 0.000 2.252 3 V HA -0.250 3.869 4.120 -0.000 0.000 0.249 3 V C 0.712 176.806 176.094 0.002 0.000 1.056 3 V CA 1.849 64.163 62.300 0.024 0.000 1.022 3 V CB -0.258 31.572 31.823 0.011 0.000 0.641 3 V HN 0.403 nan 8.190 nan 0.000 0.445 4 D N 0.141 120.525 120.400 -0.027 0.000 3.123 4 D HA 0.125 4.765 4.640 -0.000 0.000 0.305 4 D C 0.526 176.777 176.300 -0.083 0.000 1.373 4 D CA -0.085 53.887 54.000 -0.046 0.000 0.889 4 D CB -0.137 40.630 40.800 -0.055 0.000 1.070 4 D HN 0.607 nan 8.370 nan 0.000 0.494 5 N N 0.144 118.814 118.700 -0.050 0.000 2.314 5 N HA -0.009 4.731 4.740 -0.000 0.000 0.200 5 N C -0.076 175.412 175.510 -0.037 0.000 1.135 5 N CA 0.061 53.081 53.050 -0.050 0.000 0.835 5 N CB 0.231 38.746 38.487 0.047 0.000 0.989 5 N HN 0.204 nan 8.380 nan 0.000 0.478 6 L N -0.276 120.914 121.223 -0.055 0.000 2.362 6 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 6 L C 0.243 177.009 176.870 -0.174 0.000 1.002 6 L CA -0.870 53.916 54.840 -0.091 0.000 0.818 6 L CB 2.106 44.166 42.059 0.000 0.000 1.298 6 L HN -0.064 nan 8.230 nan 0.000 0.420 7 R N 0.563 120.776 120.500 -0.478 0.000 2.947 7 R HA 0.926 5.266 4.340 -0.000 0.000 0.253 7 R C -0.692 175.112 176.300 -0.826 0.000 1.208 7 R CA -0.941 54.823 56.100 -0.560 0.000 1.012 7 R CB 2.237 32.242 30.300 -0.491 0.000 1.267 7 R HN 0.822 nan 8.270 nan 0.000 0.473 8 G N 0.400 108.937 108.800 -0.438 0.000 2.368 8 G HA2 0.127 4.086 3.960 -0.000 0.000 0.302 8 G HA3 0.127 4.086 3.960 -0.000 0.000 0.302 8 G C -2.011 172.837 174.900 -0.088 0.000 1.329 8 G CA -1.026 44.004 45.100 -0.118 0.000 0.935 8 G HN 0.559 nan 8.290 nan 0.000 0.590 9 K N -0.709 119.674 120.400 -0.028 0.000 2.316 9 K HA 0.776 5.096 4.320 -0.000 0.000 0.251 9 K C 0.268 176.820 176.600 -0.080 0.000 0.934 9 K CA -0.391 55.868 56.287 -0.048 0.000 0.802 9 K CB 2.110 34.611 32.500 0.001 0.000 1.171 9 K HN 0.873 nan 8.250 nan 0.000 0.426 10 S N 1.384 117.041 115.700 -0.073 0.000 2.953 10 S HA 0.076 4.545 4.470 -0.000 0.000 0.348 10 S C 1.306 175.895 174.600 -0.018 0.000 1.215 10 S CA 1.778 59.950 58.200 -0.047 0.000 1.019 10 S CB -0.923 62.275 63.200 -0.004 0.000 0.726 10 S HN 1.197 nan 8.310 nan 0.000 0.503 11 G N 4.017 112.815 108.800 -0.003 0.000 2.189 11 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.267 11 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.267 11 G C 0.394 175.319 174.900 0.041 0.000 0.975 11 G CA 0.739 45.856 45.100 0.028 0.000 0.644 11 G HN 0.779 nan 8.290 nan 0.000 0.537 12 Q N -0.205 119.617 119.800 0.037 0.000 2.159 12 Q HA 0.460 4.799 4.340 -0.000 0.000 0.217 12 Q C 1.037 177.180 176.000 0.238 0.000 0.818 12 Q CA 0.156 56.038 55.803 0.132 0.000 1.008 12 Q CB 1.451 30.254 28.738 0.108 0.000 1.148 12 Q HN 1.697 nan 8.270 nan 0.000 0.491 13 G N 1.100 109.941 108.800 0.070 0.000 2.712 13 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.686 13 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.686 13 G C -1.229 173.634 174.900 -0.062 0.000 1.321 13 G CA -0.913 44.214 45.100 0.045 0.000 0.813 13 G HN 0.161 nan 8.290 nan 0.000 0.599 14 Y N 0.085 120.369 120.300 -0.028 0.000 2.361 14 Y HA 0.688 5.237 4.550 -0.000 0.000 0.332 14 Y C 0.732 176.589 175.900 -0.072 0.000 1.101 14 Y CA -0.158 57.893 58.100 -0.081 0.000 1.137 14 Y CB 1.664 40.067 38.460 -0.096 0.000 1.207 14 Y HN 0.818 nan 8.280 nan 0.000 0.463 15 Y N -0.098 120.245 120.300 0.071 0.000 2.553 15 Y HA 0.796 5.345 4.550 -0.001 0.000 0.347 15 Y C -1.627 174.297 175.900 0.040 0.000 1.019 15 Y CA -1.749 56.355 58.100 0.006 0.000 1.032 15 Y CB 0.900 39.386 38.460 0.045 0.000 1.284 15 Y HN 0.466 nan 8.280 nan 0.000 0.466 16 V N 1.816 121.844 119.914 0.191 0.000 2.815 16 V HA 0.478 4.598 4.120 -0.000 0.000 0.314 16 V C -0.701 175.506 176.094 0.189 0.000 1.064 16 V CA -0.747 61.628 62.300 0.126 0.000 0.952 16 V CB 1.787 33.622 31.823 0.021 0.000 1.020 16 V HN 1.013 nan 8.190 nan 0.000 0.439 17 E N 4.909 125.221 120.200 0.185 0.000 2.331 17 E HA 0.591 4.941 4.350 -0.000 0.000 0.272 17 E C -0.855 175.790 176.600 0.075 0.000 1.036 17 E CA -0.382 56.116 56.400 0.163 0.000 0.864 17 E CB 1.100 30.921 29.700 0.201 0.000 1.035 17 E HN 0.739 nan 8.360 nan 0.000 0.408 18 M N 1.504 121.134 119.600 0.050 0.000 2.622 18 M HA 0.309 4.789 4.480 -0.000 0.000 0.276 18 M C -1.069 175.245 176.300 0.024 0.000 1.265 18 M CA -0.929 54.374 55.300 0.006 0.000 0.850 18 M CB 2.549 35.125 32.600 -0.041 0.000 1.720 18 M HN 0.596 nan 8.290 nan 0.000 0.465 19 T N -0.347 114.218 114.554 0.019 0.000 2.886 19 T HA 0.817 5.167 4.350 -0.000 0.000 0.292 19 T C -0.778 173.942 174.700 0.034 0.000 1.012 19 T CA -0.789 61.326 62.100 0.026 0.000 0.982 19 T CB 1.505 70.386 68.868 0.022 0.000 1.018 19 T HN 0.717 nan 8.240 nan 0.000 0.451 20 V N -0.470 119.452 119.914 0.013 0.000 2.769 20 V HA 1.013 5.133 4.120 -0.000 0.000 0.312 20 V C 0.605 176.738 176.094 0.066 0.000 1.061 20 V CA 0.146 62.440 62.300 -0.011 0.000 0.931 20 V CB 0.614 32.283 31.823 -0.256 0.000 1.010 20 V HN 2.029 nan 8.190 nan 0.000 0.433 21 G N 2.905 111.780 108.800 0.126 0.000 2.760 21 G HA2 0.142 4.102 3.960 -0.000 0.000 0.246 21 G HA3 0.142 4.102 3.960 -0.000 0.000 0.246 21 G C -0.370 174.603 174.900 0.122 0.000 1.359 21 G CA -0.289 44.923 45.100 0.186 0.000 0.861 21 G HN 1.922 nan 8.290 nan 0.000 0.541 22 S N 2.046 117.814 115.700 0.115 0.000 2.750 22 S HA 0.660 5.130 4.470 -0.000 0.000 0.276 22 S C -2.420 172.220 174.600 0.065 0.000 1.165 22 S CA -0.424 57.823 58.200 0.077 0.000 1.047 22 S CB 2.948 66.191 63.200 0.070 0.000 1.056 22 S HN 0.820 nan 8.310 nan 0.000 0.481 23 P HA 0.291 nan 4.420 nan 0.000 0.272 23 P C -2.900 174.430 177.300 0.050 0.000 1.230 23 P CA -1.639 61.486 63.100 0.042 0.000 0.788 23 P CB -0.755 30.961 31.700 0.027 0.000 0.949 24 P HA 0.020 nan 4.420 nan 0.000 0.258 24 P C -0.449 176.875 177.300 0.039 0.000 1.172 24 P CA 0.933 64.058 63.100 0.042 0.000 0.762 24 P CB -0.050 31.666 31.700 0.027 0.000 0.764 25 Q N 1.994 121.825 119.800 0.052 0.000 2.372 25 Q HA 0.248 4.588 4.340 -0.000 0.000 0.259 25 Q C -0.234 175.785 176.000 0.032 0.000 0.993 25 Q CA -0.399 55.432 55.803 0.047 0.000 0.854 25 Q CB 0.941 29.736 28.738 0.095 0.000 1.231 25 Q HN 0.334 nan 8.270 nan 0.000 0.462 26 T N 4.096 118.664 114.554 0.023 0.000 2.814 26 T HA 0.386 4.736 4.350 -0.000 0.000 0.297 26 T C -0.230 174.488 174.700 0.030 0.000 0.956 26 T CA 0.097 62.214 62.100 0.027 0.000 1.123 26 T CB 0.125 69.009 68.868 0.027 0.000 0.902 26 T HN 0.338 nan 8.240 nan 0.000 0.528 27 L N 3.635 124.883 121.223 0.042 0.000 2.445 27 L HA 0.464 4.804 4.340 -0.000 0.000 0.262 27 L C -0.325 176.590 176.870 0.074 0.000 0.974 27 L CA -1.228 53.642 54.840 0.050 0.000 0.822 27 L CB 2.046 44.134 42.059 0.048 0.000 1.339 27 L HN 0.417 nan 8.230 nan 0.000 0.409 28 N N 3.266 122.002 118.700 0.060 0.000 2.422 28 N HA 0.431 5.171 4.740 -0.000 0.000 0.264 28 N C -0.912 174.677 175.510 0.131 0.000 1.063 28 N CA -0.271 52.820 53.050 0.069 0.000 0.959 28 N CB 1.497 39.863 38.487 -0.203 0.000 1.087 28 N HN 0.306 nan 8.380 nan 0.000 0.483 29 I N 2.661 123.323 120.570 0.153 0.000 2.389 29 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 29 I C 0.482 176.600 176.117 0.002 0.000 0.999 29 I CA -0.864 60.498 61.300 0.103 0.000 1.129 29 I CB 1.350 39.410 38.000 0.101 0.000 1.288 29 I HN 0.301 nan 8.210 nan 0.000 0.444 30 L N 7.115 128.190 121.223 -0.246 0.000 2.499 30 L HA 0.167 4.507 4.340 -0.000 0.000 0.273 30 L C -0.275 176.439 176.870 -0.259 0.000 1.195 30 L CA -0.043 54.513 54.840 -0.473 0.000 0.882 30 L CB 0.748 42.082 42.059 -1.209 0.000 1.133 30 L HN 0.329 nan 8.230 nan 0.000 0.483 31 V N 4.882 124.691 119.914 -0.175 0.000 2.389 31 V HA 0.170 4.289 4.120 -0.000 0.000 0.264 31 V C -0.288 175.713 176.094 -0.155 0.000 1.049 31 V CA -0.126 62.075 62.300 -0.164 0.000 0.932 31 V CB 0.853 32.598 31.823 -0.129 0.000 1.011 31 V HN 0.739 nan 8.190 nan 0.000 0.475 32 D N 3.261 123.571 120.400 -0.150 0.000 2.440 32 D HA 0.231 4.871 4.640 -0.000 0.000 0.252 32 D C 1.028 177.299 176.300 -0.049 0.000 1.180 32 D CA -0.232 53.714 54.000 -0.091 0.000 0.894 32 D CB 1.719 42.472 40.800 -0.079 0.000 1.111 32 D HN 0.554 nan 8.370 nan 0.000 0.544 33 T N -0.004 114.530 114.554 -0.034 0.000 3.194 33 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 33 T C 1.460 176.277 174.700 0.195 0.000 1.132 33 T CA 0.181 62.323 62.100 0.070 0.000 1.028 33 T CB 0.174 68.978 68.868 -0.107 0.000 0.976 33 T HN 0.302 nan 8.240 nan 0.000 0.535 34 G N 0.804 109.684 108.800 0.133 0.000 3.284 34 G HA2 0.455 4.415 3.960 -0.000 0.000 0.236 34 G HA3 0.455 4.415 3.960 -0.000 0.000 0.236 34 G C 0.264 175.282 174.900 0.198 0.000 1.158 34 G CA 0.106 45.317 45.100 0.185 0.000 0.774 34 G HN 0.789 nan 8.290 nan 0.000 0.545 35 S N -2.043 113.735 115.700 0.131 0.000 2.672 35 S HA 0.600 5.069 4.470 -0.000 0.000 0.271 35 S C -0.178 174.463 174.600 0.067 0.000 1.171 35 S CA -0.228 58.052 58.200 0.134 0.000 0.817 35 S CB 1.562 64.969 63.200 0.345 0.000 1.150 35 S HN -0.005 nan 8.310 nan 0.000 0.478 36 S N 0.170 115.914 115.700 0.072 0.000 2.937 36 S HA 0.404 4.873 4.470 -0.000 0.000 0.252 36 S C -0.627 174.056 174.600 0.138 0.000 1.022 36 S CA -0.489 57.749 58.200 0.063 0.000 1.079 36 S CB -0.483 62.721 63.200 0.006 0.000 1.035 36 S HN 0.652 nan 8.310 nan 0.000 0.594 37 N N 1.226 120.056 118.700 0.217 0.000 2.362 37 N HA 0.482 5.222 4.740 -0.000 0.000 0.298 37 N C -1.409 174.312 175.510 0.352 0.000 1.048 37 N CA -0.504 52.721 53.050 0.291 0.000 0.858 37 N CB 1.290 40.000 38.487 0.372 0.000 1.218 37 N HN 0.307 nan 8.380 nan 0.000 0.488 38 F N 2.149 122.176 119.950 0.129 0.000 2.391 38 F HA 0.673 5.199 4.527 -0.001 0.000 0.359 38 F C -0.484 175.306 175.800 -0.016 0.000 1.122 38 F CA -0.665 57.362 58.000 0.045 0.000 1.120 38 F CB 0.367 39.399 39.000 0.053 0.000 1.142 38 F HN 0.452 nan 8.300 nan 0.000 0.483 39 A N 6.136 128.804 122.820 -0.254 0.000 2.449 39 A HA 0.732 5.052 4.320 -0.000 0.000 0.302 39 A C -1.437 175.853 177.584 -0.490 0.000 1.048 39 A CA -0.543 51.136 52.037 -0.597 0.000 0.708 39 A CB 1.674 20.017 19.000 -1.094 0.000 1.274 39 A HN 0.925 nan 8.150 nan 0.000 0.410 40 V N -0.369 119.280 119.914 -0.442 0.000 2.876 40 V HA 0.936 5.056 4.120 -0.000 0.000 0.312 40 V C 0.429 176.542 176.094 0.031 0.000 1.085 40 V CA -0.278 61.931 62.300 -0.152 0.000 0.945 40 V CB 1.263 32.945 31.823 -0.235 0.000 1.017 40 V HN 1.698 nan 8.190 nan 0.000 0.428 41 G N 1.380 110.313 108.800 0.221 0.000 2.353 41 G HA2 0.510 4.469 3.960 -0.000 0.000 0.239 41 G HA3 0.510 4.469 3.960 -0.000 0.000 0.239 41 G C 0.521 175.530 174.900 0.181 0.000 1.295 41 G CA 0.176 45.408 45.100 0.220 0.000 0.884 41 G HN 1.978 nan 8.290 nan 0.000 0.537 42 A N 1.125 123.997 122.820 0.086 0.000 2.635 42 A HA 0.780 5.099 4.320 -0.000 0.000 0.279 42 A C 0.629 178.122 177.584 -0.152 0.000 1.122 42 A CA 0.799 52.890 52.037 0.090 0.000 0.965 42 A CB 0.158 19.185 19.000 0.046 0.000 1.221 42 A HN 1.994 nan 8.150 nan 0.000 0.566 43 A N 0.581 123.105 122.820 -0.494 0.000 2.589 43 A HA 0.730 5.050 4.320 -0.000 0.000 0.296 43 A C -3.227 173.803 177.584 -0.923 0.000 1.062 43 A CA -1.298 50.286 52.037 -0.756 0.000 0.686 43 A CB 0.858 19.685 19.000 -0.289 0.000 1.282 43 A HN 0.040 nan 8.150 nan 0.000 0.404 44 P HA 0.153 nan 4.420 nan 0.000 0.267 44 P C -0.851 176.330 177.300 -0.198 0.000 1.201 44 P CA 0.670 63.504 63.100 -0.443 0.000 0.775 44 P CB 0.363 31.942 31.700 -0.201 0.000 0.854 45 H N 1.378 120.302 119.070 -0.243 0.000 3.112 45 H HA 0.192 4.748 4.556 -0.000 0.000 0.347 45 H C -2.233 172.945 175.328 -0.249 0.000 1.188 45 H CA -1.368 54.539 56.048 -0.235 0.000 1.240 45 H CB 1.682 31.296 29.762 -0.246 0.000 1.920 45 H HN 0.053 nan 8.280 nan 0.000 0.535 46 P HA -0.098 nan 4.420 nan 0.000 0.217 46 P C 1.055 178.367 177.300 0.019 0.000 1.151 46 P CA 1.552 64.450 63.100 -0.337 0.000 0.849 46 P CB -0.032 31.273 31.700 -0.657 0.000 0.787 47 F N -2.192 117.861 119.950 0.171 0.000 2.776 47 F HA 0.151 4.678 4.527 -0.000 0.000 0.300 47 F C 0.962 176.493 175.800 -0.449 0.000 1.116 47 F CA -0.608 57.318 58.000 -0.124 0.000 1.375 47 F CB 0.123 39.080 39.000 -0.072 0.000 1.109 47 F HN -0.222 nan 8.300 nan 0.000 0.585 48 L N 1.237 122.325 121.223 -0.225 0.000 2.265 48 L HA 0.202 4.542 4.340 -0.000 0.000 0.288 48 L C 1.082 177.810 176.870 -0.237 0.000 1.058 48 L CA -0.490 54.126 54.840 -0.373 0.000 0.809 48 L CB 0.781 42.609 42.059 -0.385 0.000 1.179 48 L HN 0.148 nan 8.230 nan 0.000 0.429 49 H N 3.672 122.700 119.070 -0.069 0.000 2.512 49 H HA 0.094 4.649 4.556 -0.000 0.000 0.279 49 H C 0.330 175.644 175.328 -0.024 0.000 0.999 49 H CA 0.454 56.479 56.048 -0.038 0.000 1.283 49 H CB 0.369 30.094 29.762 -0.062 0.000 1.421 49 H HN 0.589 nan 8.280 nan 0.000 0.554 50 R N -0.839 119.706 120.500 0.076 0.000 2.733 50 R HA 0.418 4.758 4.340 -0.000 0.000 0.272 50 R C -1.817 174.528 176.300 0.074 0.000 1.029 50 R CA -1.024 55.080 56.100 0.006 0.000 0.888 50 R CB 1.730 32.013 30.300 -0.028 0.000 1.251 50 R HN 0.016 nan 8.270 nan 0.000 0.464 51 Y N -2.445 117.846 120.300 -0.014 0.000 2.702 51 Y HA 0.424 4.974 4.550 -0.000 0.000 0.336 51 Y C -1.802 174.140 175.900 0.070 0.000 1.203 51 Y CA -1.693 56.410 58.100 0.004 0.000 1.072 51 Y CB 0.517 38.957 38.460 -0.033 0.000 1.327 51 Y HN 0.626 nan 8.280 nan 0.000 0.456 52 Y N 3.135 123.517 120.300 0.136 0.000 2.605 52 Y HA 0.298 4.847 4.550 -0.000 0.000 0.336 52 Y C -0.409 175.534 175.900 0.072 0.000 1.111 52 Y CA -0.237 57.885 58.100 0.036 0.000 1.422 52 Y CB 0.678 39.133 38.460 -0.008 0.000 1.193 52 Y HN 0.690 nan 8.280 nan 0.000 0.526 53 Q N 7.153 126.866 119.800 -0.145 0.000 2.509 53 Q HA 0.265 4.605 4.340 -0.000 0.000 0.236 53 Q C 1.003 176.692 176.000 -0.519 0.000 1.073 53 Q CA -0.441 55.203 55.803 -0.266 0.000 0.867 53 Q CB 0.968 29.607 28.738 -0.166 0.000 1.181 53 Q HN 0.800 nan 8.270 nan 0.000 0.526 54 R N 1.175 121.129 120.500 -0.909 0.000 2.096 54 R HA -0.292 4.048 4.340 -0.000 0.000 0.240 54 R C 2.122 178.150 176.300 -0.454 0.000 1.139 54 R CA 2.330 57.816 56.100 -1.023 0.000 0.952 54 R CB -0.098 29.331 30.300 -1.451 0.000 0.854 54 R HN 0.674 nan 8.270 nan 0.000 0.436 55 Q N 0.724 120.341 119.800 -0.306 0.000 2.173 55 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 55 Q C 1.617 177.570 176.000 -0.078 0.000 0.989 55 Q CA 1.645 57.367 55.803 -0.135 0.000 0.872 55 Q CB -0.477 28.201 28.738 -0.100 0.000 0.909 55 Q HN 0.416 nan 8.270 nan 0.000 0.420 56 L N 1.001 122.168 121.223 -0.092 0.000 2.599 56 L HA 0.176 4.515 4.340 -0.000 0.000 0.230 56 L C 0.831 177.702 176.870 0.002 0.000 1.141 56 L CA -0.187 54.629 54.840 -0.040 0.000 0.877 56 L CB 0.198 42.230 42.059 -0.046 0.000 1.009 56 L HN 0.076 nan 8.230 nan 0.000 0.447 57 S N -0.397 115.313 115.700 0.017 0.000 2.498 57 S HA 0.185 4.655 4.470 -0.000 0.000 0.324 57 S C 1.225 175.892 174.600 0.112 0.000 1.071 57 S CA -0.513 57.742 58.200 0.092 0.000 1.113 57 S CB 1.261 64.570 63.200 0.180 0.000 0.976 57 S HN 0.315 nan 8.310 nan 0.000 0.462 58 S N 3.118 118.871 115.700 0.088 0.000 2.500 58 S HA -0.102 4.367 4.470 -0.000 0.000 0.239 58 S C 1.361 176.019 174.600 0.097 0.000 0.989 58 S CA 1.258 59.506 58.200 0.080 0.000 0.951 58 S CB -0.782 62.452 63.200 0.056 0.000 0.759 58 S HN 0.871 nan 8.310 nan 0.000 0.523 59 T N -2.780 111.849 114.554 0.126 0.000 3.069 59 T HA 0.249 4.598 4.350 -0.000 0.000 0.252 59 T C 0.236 175.036 174.700 0.166 0.000 1.053 59 T CA -0.651 61.522 62.100 0.122 0.000 0.964 59 T CB -0.582 68.350 68.868 0.107 0.000 1.005 59 T HN 0.388 nan 8.240 nan 0.000 0.532 60 Y N 3.143 123.495 120.300 0.088 0.000 2.578 60 Y HA 0.379 4.929 4.550 -0.000 0.000 0.339 60 Y C 0.225 176.167 175.900 0.070 0.000 1.231 60 Y CA -0.830 57.331 58.100 0.103 0.000 1.461 60 Y CB 0.433 38.936 38.460 0.072 0.000 1.323 60 Y HN 0.073 nan 8.280 nan 0.000 0.590 61 R N 4.536 124.564 120.500 -0.787 0.000 2.531 61 R HA 0.123 4.462 4.340 -0.000 0.000 0.293 61 R C -1.577 174.239 176.300 -0.807 0.000 1.124 61 R CA -0.938 54.808 56.100 -0.590 0.000 0.945 61 R CB 1.094 31.250 30.300 -0.241 0.000 1.195 61 R HN 0.681 nan 8.270 nan 0.000 0.433 62 D N 2.991 123.010 120.400 -0.636 0.000 2.424 62 D HA 0.040 4.680 4.640 -0.000 0.000 0.244 62 D C 0.648 176.861 176.300 -0.146 0.000 1.134 62 D CA 0.165 53.981 54.000 -0.308 0.000 0.881 62 D CB 1.226 41.998 40.800 -0.048 0.000 1.191 62 D HN 0.506 nan 8.370 nan 0.000 0.445 63 L N 3.236 124.422 121.223 -0.061 0.000 2.640 63 L HA 0.188 4.528 4.340 -0.000 0.000 0.230 63 L C 0.755 177.629 176.870 0.007 0.000 1.123 63 L CA -0.131 54.696 54.840 -0.022 0.000 0.900 63 L CB 0.043 42.105 42.059 0.004 0.000 1.146 63 L HN 0.444 nan 8.230 nan 0.000 0.484 64 R N 0.958 121.471 120.500 0.021 0.000 3.264 64 R HA -0.144 4.196 4.340 -0.000 0.000 0.251 64 R C -0.856 175.468 176.300 0.040 0.000 0.971 64 R CA 0.459 56.580 56.100 0.034 0.000 0.658 64 R CB -1.409 28.904 30.300 0.021 0.000 1.095 64 R HN 0.103 nan 8.270 nan 0.000 0.443 65 K N -0.243 120.190 120.400 0.054 0.000 2.525 65 K HA 0.405 4.725 4.320 -0.000 0.000 0.254 65 K C 0.380 177.027 176.600 0.078 0.000 0.934 65 K CA -0.224 56.096 56.287 0.056 0.000 0.802 65 K CB 2.133 34.663 32.500 0.049 0.000 1.295 65 K HN 0.196 nan 8.250 nan 0.000 0.433 66 G N 0.064 108.911 108.800 0.079 0.000 2.588 66 G HA2 0.604 4.563 3.960 -0.000 0.000 0.281 66 G HA3 0.604 4.563 3.960 -0.000 0.000 0.281 66 G C -0.884 174.086 174.900 0.116 0.000 1.236 66 G CA -0.402 44.760 45.100 0.103 0.000 0.969 66 G HN 0.346 nan 8.290 nan 0.000 0.504 67 V N -0.357 119.649 119.914 0.154 0.000 3.106 67 V HA 0.635 4.754 4.120 -0.000 0.000 0.280 67 V C -2.048 174.125 176.094 0.132 0.000 1.525 67 V CA -0.885 61.488 62.300 0.122 0.000 0.999 67 V CB 1.617 33.529 31.823 0.150 0.000 1.186 67 V HN 1.400 nan 8.190 nan 0.000 0.448 68 Y N 3.730 123.895 120.300 -0.225 0.000 2.571 68 Y HA 0.910 5.460 4.550 -0.000 0.000 0.341 68 Y C -1.793 173.647 175.900 -0.768 0.000 1.076 68 Y CA -1.198 56.603 58.100 -0.497 0.000 1.029 68 Y CB 2.070 40.351 38.460 -0.298 0.000 1.308 68 Y HN 0.455 nan 8.280 nan 0.000 0.461 69 V N 4.143 123.318 119.914 -1.231 0.000 2.569 69 V HA 0.549 4.668 4.120 -0.000 0.000 0.301 69 V C -2.687 172.799 176.094 -1.015 0.000 1.044 69 V CA -1.632 59.932 62.300 -1.227 0.000 0.874 69 V CB 2.468 33.404 31.823 -1.479 0.000 1.002 69 V HN 0.712 nan 8.190 nan 0.000 0.424 70 P HA 0.458 nan 4.420 nan 0.000 0.300 70 P C -1.444 175.654 177.300 -0.336 0.000 1.375 70 P CA -0.403 62.489 63.100 -0.346 0.000 0.864 70 P CB 0.807 32.447 31.700 -0.100 0.000 0.958 71 Y N 0.545 120.821 120.300 -0.040 0.000 2.408 71 Y HA 0.226 4.776 4.550 -0.000 0.000 0.324 71 Y C 2.451 178.377 175.900 0.043 0.000 1.302 71 Y CA -0.164 57.954 58.100 0.031 0.000 1.384 71 Y CB -0.133 38.390 38.460 0.105 0.000 1.367 71 Y HN 0.201 nan 8.280 nan 0.000 0.525 72 T N -0.421 114.273 114.554 0.234 0.000 2.674 72 T HA -0.229 4.121 4.350 -0.000 0.000 0.265 72 T C 1.769 176.554 174.700 0.141 0.000 1.039 72 T CA 1.866 64.045 62.100 0.132 0.000 1.150 72 T CB -0.188 68.734 68.868 0.090 0.000 0.864 72 T HN 0.573 nan 8.240 nan 0.000 0.427 73 Q N 1.239 121.144 119.800 0.176 0.000 1.948 73 Q HA 0.098 4.438 4.340 -0.000 0.000 0.205 73 Q C 1.161 177.281 176.000 0.199 0.000 0.992 73 Q CA 1.957 57.859 55.803 0.165 0.000 0.849 73 Q CB -0.787 28.043 28.738 0.153 0.000 0.918 73 Q HN 0.521 nan 8.270 nan 0.000 0.421 74 G N -1.419 107.560 108.800 0.298 0.000 2.976 74 G HA2 0.631 4.591 3.960 -0.000 0.000 0.276 74 G HA3 0.631 4.591 3.960 -0.000 0.000 0.276 74 G C -1.514 173.562 174.900 0.293 0.000 1.207 74 G CA -0.286 44.985 45.100 0.286 0.000 0.803 74 G HN 0.319 nan 8.290 nan 0.000 0.572 75 K N -1.074 119.452 120.400 0.211 0.000 2.597 75 K HA 0.508 4.827 4.320 -0.000 0.000 0.282 75 K C -1.615 174.934 176.600 -0.085 0.000 0.975 75 K CA -1.059 55.202 56.287 -0.045 0.000 0.867 75 K CB 1.958 34.399 32.500 -0.099 0.000 1.465 75 K HN 0.904 nan 8.250 nan 0.000 0.417 76 W N 0.399 121.561 121.300 -0.231 0.000 3.083 76 W HA 0.662 5.322 4.660 -0.000 0.000 0.333 76 W C -1.453 174.997 176.519 -0.116 0.000 1.217 76 W CA -0.622 56.562 57.345 -0.268 0.000 1.170 76 W CB 1.379 30.476 29.460 -0.606 0.000 1.437 76 W HN 0.791 nan 8.180 nan 0.000 0.557 77 E N 0.253 120.666 120.200 0.354 0.000 2.312 77 E HA 0.690 5.040 4.350 -0.000 0.000 0.267 77 E C -0.408 176.436 176.600 0.407 0.000 0.894 77 E CA -0.586 55.984 56.400 0.283 0.000 0.773 77 E CB 2.674 32.451 29.700 0.128 0.000 1.241 77 E HN 0.801 nan 8.360 nan 0.000 0.432 78 G N 1.512 110.519 108.800 0.345 0.000 2.427 78 G HA2 0.278 4.237 3.960 -0.000 0.000 0.306 78 G HA3 0.278 4.237 3.960 -0.000 0.000 0.306 78 G C -1.568 173.453 174.900 0.202 0.000 1.280 78 G CA -0.745 44.512 45.100 0.262 0.000 0.837 78 G HN 0.464 nan 8.290 nan 0.000 0.482 79 E N -0.061 120.237 120.200 0.163 0.000 2.199 79 E HA 0.521 4.871 4.350 -0.000 0.000 0.265 79 E C -0.534 176.169 176.600 0.172 0.000 0.882 79 E CA -0.580 55.912 56.400 0.152 0.000 0.759 79 E CB 2.647 32.427 29.700 0.134 0.000 1.148 79 E HN 0.333 nan 8.360 nan 0.000 0.412 80 L N 2.079 123.394 121.223 0.154 0.000 2.395 80 L HA 0.667 5.007 4.340 -0.000 0.000 0.269 80 L C 0.723 177.679 176.870 0.143 0.000 1.133 80 L CA 0.013 54.940 54.840 0.145 0.000 0.812 80 L CB 0.877 43.002 42.059 0.111 0.000 1.125 80 L HN 0.733 nan 8.230 nan 0.000 0.452 81 G N 0.177 109.062 108.800 0.141 0.000 2.488 81 G HA2 0.571 4.531 3.960 -0.000 0.000 0.301 81 G HA3 0.571 4.531 3.960 -0.000 0.000 0.301 81 G C -1.345 173.594 174.900 0.065 0.000 1.339 81 G CA -0.090 45.034 45.100 0.040 0.000 0.803 81 G HN 0.590 nan 8.290 nan 0.000 0.482 82 T N -1.895 112.645 114.554 -0.024 0.000 2.909 82 T HA 0.761 5.111 4.350 -0.000 0.000 0.299 82 T C -1.528 173.237 174.700 0.109 0.000 1.073 82 T CA -0.622 61.517 62.100 0.066 0.000 0.999 82 T CB 2.965 71.849 68.868 0.027 0.000 1.098 82 T HN 0.666 nan 8.240 nan 0.000 0.477 83 D N 0.239 120.742 120.400 0.172 0.000 2.692 83 D HA 0.391 5.031 4.640 -0.000 0.000 0.303 83 D C -1.011 175.383 176.300 0.157 0.000 1.278 83 D CA -0.677 53.443 54.000 0.200 0.000 0.852 83 D CB 1.854 42.848 40.800 0.324 0.000 1.375 83 D HN 0.676 nan 8.370 nan 0.000 0.453 84 L N 1.011 122.317 121.223 0.140 0.000 2.305 84 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 84 L C -0.198 176.748 176.870 0.127 0.000 1.085 84 L CA -0.691 54.217 54.840 0.113 0.000 0.813 84 L CB 1.312 43.422 42.059 0.085 0.000 1.157 84 L HN 0.074 nan 8.230 nan 0.000 0.436 85 V N 1.834 121.835 119.914 0.145 0.000 2.823 85 V HA 0.608 4.727 4.120 -0.000 0.000 0.312 85 V C -0.255 175.914 176.094 0.126 0.000 1.072 85 V CA -0.453 61.943 62.300 0.160 0.000 0.937 85 V CB 2.133 34.118 31.823 0.270 0.000 1.013 85 V HN 0.830 nan 8.190 nan 0.000 0.430 86 S N 3.021 118.765 115.700 0.073 0.000 2.564 86 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 86 S C -0.902 173.704 174.600 0.010 0.000 1.124 86 S CA -0.522 57.708 58.200 0.050 0.000 0.869 86 S CB 1.900 65.117 63.200 0.028 0.000 1.105 86 S HN 0.562 nan 8.310 nan 0.000 0.472 87 I N 3.013 123.589 120.570 0.010 0.000 2.428 87 I HA 0.274 4.444 4.170 -0.000 0.000 0.279 87 I C -1.999 174.101 176.117 -0.028 0.000 1.040 87 I CA -2.228 59.065 61.300 -0.011 0.000 1.171 87 I CB 1.661 39.663 38.000 0.004 0.000 1.312 87 I HN 0.388 nan 8.210 nan 0.000 0.470 88 P HA -0.213 nan 4.420 nan 0.000 0.216 88 P C 0.597 177.726 177.300 -0.285 0.000 1.167 88 P CA 1.616 64.582 63.100 -0.224 0.000 0.914 88 P CB 0.047 31.551 31.700 -0.326 0.000 0.793 89 H N -0.891 118.196 119.070 0.028 0.000 2.713 89 H HA 0.478 5.033 4.556 -0.000 0.000 0.294 89 H C 1.035 176.382 175.328 0.032 0.000 1.366 89 H CA 0.248 56.313 56.048 0.029 0.000 1.139 89 H CB -0.559 29.220 29.762 0.028 0.000 1.487 89 H HN 0.157 nan 8.280 nan 0.000 0.504 90 G N 0.861 109.710 108.800 0.082 0.000 3.058 90 G HA2 0.285 4.245 3.960 -0.000 0.000 0.282 90 G HA3 0.285 4.245 3.960 -0.000 0.000 0.282 90 G C -2.667 172.271 174.900 0.062 0.000 1.248 90 G CA -1.162 43.985 45.100 0.078 0.000 0.822 90 G HN -0.042 nan 8.290 nan 0.000 0.579 91 P HA 0.052 nan 4.420 nan 0.000 0.270 91 P C -0.649 176.670 177.300 0.032 0.000 1.223 91 P CA -0.235 62.895 63.100 0.049 0.000 0.785 91 P CB 0.783 32.509 31.700 0.042 0.000 0.923 92 N N 1.322 120.038 118.700 0.028 0.000 3.303 92 N HA 0.187 4.926 4.740 -0.000 0.000 0.304 92 N C -0.563 174.956 175.510 0.015 0.000 1.302 92 N CA -0.132 52.928 53.050 0.018 0.000 1.213 92 N CB -0.826 37.673 38.487 0.019 0.000 1.481 92 N HN 0.214 nan 8.380 nan 0.000 0.546 93 V N -1.815 118.106 119.914 0.012 0.000 3.181 93 V HA 0.696 4.816 4.120 -0.000 0.000 0.308 93 V C -0.182 175.917 176.094 0.008 0.000 1.214 93 V CA -0.782 61.520 62.300 0.003 0.000 1.053 93 V CB 1.794 33.608 31.823 -0.015 0.000 1.069 93 V HN 0.064 nan 8.190 nan 0.000 0.441 94 T N 1.776 116.330 114.554 0.001 0.000 2.881 94 T HA 0.788 5.137 4.350 -0.000 0.000 0.290 94 T C -0.574 174.122 174.700 -0.007 0.000 1.000 94 T CA -0.313 61.795 62.100 0.014 0.000 0.978 94 T CB 1.475 70.355 68.868 0.020 0.000 0.997 94 T HN 1.632 nan 8.240 nan 0.000 0.443 95 V N 1.111 121.027 119.914 0.003 0.000 3.007 95 V HA 0.748 4.867 4.120 -0.000 0.000 0.311 95 V C -0.565 175.537 176.094 0.012 0.000 1.120 95 V CA -1.532 60.744 62.300 -0.041 0.000 0.980 95 V CB 2.061 33.788 31.823 -0.160 0.000 1.033 95 V HN 0.853 nan 8.190 nan 0.000 0.429 96 R N 2.132 122.631 120.500 -0.003 0.000 2.202 96 R HA 0.806 5.146 4.340 -0.000 0.000 0.334 96 R C -0.254 176.068 176.300 0.036 0.000 1.036 96 R CA 0.357 56.480 56.100 0.039 0.000 0.878 96 R CB 0.897 31.211 30.300 0.023 0.000 1.067 96 R HN 1.272 nan 8.270 nan 0.000 0.457 97 A N 3.977 126.868 122.820 0.119 0.000 2.435 97 A HA 0.405 4.724 4.320 -0.000 0.000 0.296 97 A C -0.951 176.761 177.584 0.214 0.000 1.147 97 A CA -1.051 51.078 52.037 0.154 0.000 0.775 97 A CB 1.217 20.385 19.000 0.280 0.000 1.340 97 A HN 0.886 nan 8.150 nan 0.000 0.427 98 N N -0.491 118.338 118.700 0.216 0.000 2.518 98 N HA 0.510 5.250 4.740 -0.000 0.000 0.266 98 N C -1.019 174.652 175.510 0.269 0.000 1.196 98 N CA 0.398 53.568 53.050 0.199 0.000 0.947 98 N CB 0.616 39.202 38.487 0.165 0.000 1.098 98 N HN 0.485 nan 8.380 nan 0.000 0.450 99 I N 0.943 121.612 120.570 0.165 0.000 2.534 99 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 99 I C -0.741 175.387 176.117 0.018 0.000 1.077 99 I CA -0.969 60.336 61.300 0.008 0.000 1.051 99 I CB 1.994 39.962 38.000 -0.053 0.000 1.234 99 I HN 0.467 nan 8.210 nan 0.000 0.425 100 A N 5.086 127.845 122.820 -0.101 0.000 2.316 100 A HA 0.733 5.053 4.320 -0.000 0.000 0.311 100 A C 0.366 177.851 177.584 -0.165 0.000 1.339 100 A CA -0.414 51.586 52.037 -0.061 0.000 0.960 100 A CB 0.330 19.288 19.000 -0.070 0.000 1.152 100 A HN 0.808 nan 8.150 nan 0.000 0.547 101 A N 4.121 126.953 122.820 0.020 0.000 2.376 101 A HA 0.496 4.815 4.320 -0.000 0.000 0.298 101 A C 0.217 177.801 177.584 -0.001 0.000 1.271 101 A CA -0.274 51.794 52.037 0.052 0.000 0.926 101 A CB -0.541 18.526 19.000 0.112 0.000 1.141 101 A HN 0.775 nan 8.150 nan 0.000 0.539 102 I N 3.458 123.981 120.570 -0.079 0.000 2.587 102 I HA -0.003 4.167 4.170 -0.000 0.000 0.284 102 I C 1.694 177.854 176.117 0.072 0.000 1.134 102 I CA 0.527 61.815 61.300 -0.020 0.000 1.410 102 I CB 0.857 38.810 38.000 -0.079 0.000 1.392 102 I HN 0.857 nan 8.210 nan 0.000 0.545 103 T N 1.302 115.917 114.554 0.101 0.000 3.023 103 T HA 0.256 4.606 4.350 -0.000 0.000 0.249 103 T C 0.575 175.329 174.700 0.092 0.000 1.050 103 T CA 0.001 62.141 62.100 0.065 0.000 1.088 103 T CB 0.363 69.262 68.868 0.053 0.000 0.946 103 T HN 0.558 nan 8.240 nan 0.000 0.480 104 E N 0.709 120.994 120.200 0.141 0.000 2.331 104 E HA 0.582 4.932 4.350 -0.000 0.000 0.275 104 E C -1.445 175.272 176.600 0.195 0.000 0.895 104 E CA -0.740 55.748 56.400 0.147 0.000 0.753 104 E CB 2.495 32.249 29.700 0.090 0.000 1.216 104 E HN 0.442 nan 8.360 nan 0.000 0.434 105 S N 1.199 117.031 115.700 0.220 0.000 2.607 105 S HA 0.635 5.105 4.470 -0.000 0.000 0.273 105 S C -1.497 173.230 174.600 0.211 0.000 1.148 105 S CA -1.004 57.321 58.200 0.208 0.000 0.833 105 S CB 2.163 65.475 63.200 0.186 0.000 1.130 105 S HN 0.481 nan 8.310 nan 0.000 0.470 106 D N 0.136 120.652 120.400 0.194 0.000 2.479 106 D HA 0.376 5.016 4.640 -0.000 0.000 0.246 106 D C -0.795 175.639 176.300 0.224 0.000 1.336 106 D CA -0.434 53.676 54.000 0.183 0.000 0.967 106 D CB 0.487 41.354 40.800 0.110 0.000 1.275 106 D HN 0.725 nan 8.370 nan 0.000 0.577 107 K N 2.053 122.606 120.400 0.255 0.000 3.160 107 K HA -0.250 4.070 4.320 -0.000 0.000 0.280 107 K C 0.005 176.788 176.600 0.305 0.000 1.154 107 K CA 0.687 57.127 56.287 0.256 0.000 0.822 107 K CB -1.481 31.135 32.500 0.193 0.000 1.239 107 K HN 0.443 nan 8.250 nan 0.000 0.489 108 F N 0.404 120.422 119.950 0.113 0.000 2.287 108 F HA 0.267 4.793 4.527 -0.000 0.000 0.276 108 F C 0.790 176.622 175.800 0.053 0.000 1.047 108 F CA 0.082 58.110 58.000 0.047 0.000 1.194 108 F CB 0.127 39.056 39.000 -0.117 0.000 1.118 108 F HN -0.042 nan 8.300 nan 0.000 0.556 109 F N 2.042 122.002 119.950 0.017 0.000 2.553 109 F HA 0.166 4.693 4.527 -0.000 0.000 0.356 109 F C 0.213 175.873 175.800 -0.234 0.000 1.142 109 F CA 0.023 57.813 58.000 -0.350 0.000 1.322 109 F CB 0.143 38.916 39.000 -0.379 0.000 1.126 109 F HN -0.203 nan 8.300 nan 0.000 0.599 110 I N 2.487 122.826 120.570 -0.385 0.000 2.404 110 I HA 0.126 4.296 4.170 -0.000 0.000 0.293 110 I C -0.059 175.693 176.117 -0.607 0.000 0.992 110 I CA -0.683 60.373 61.300 -0.407 0.000 1.149 110 I CB 1.532 39.311 38.000 -0.368 0.000 1.315 110 I HN 0.588 nan 8.210 nan 0.000 0.446 111 N N 4.654 122.783 118.700 -0.951 0.000 2.434 111 N HA 0.069 4.809 4.740 -0.000 0.000 0.268 111 N C 0.960 176.177 175.510 -0.488 0.000 1.256 111 N CA 0.832 53.247 53.050 -1.058 0.000 0.914 111 N CB 0.401 38.111 38.487 -1.295 0.000 1.088 111 N HN 1.008 nan 8.380 nan 0.000 0.478 112 G N 2.002 110.603 108.800 -0.332 0.000 2.143 112 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.248 112 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.248 112 G C 0.891 175.696 174.900 -0.159 0.000 0.991 112 G CA 0.569 45.582 45.100 -0.144 0.000 0.689 112 G HN 0.734 nan 8.290 nan 0.000 0.522 113 S N -0.232 115.277 115.700 -0.319 0.000 2.406 113 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 113 S C 1.437 175.890 174.600 -0.245 0.000 1.020 113 S CA 1.361 59.358 58.200 -0.339 0.000 0.965 113 S CB -0.166 62.519 63.200 -0.859 0.000 0.798 113 S HN 1.755 nan 8.310 nan 0.000 0.488 114 N N 0.117 118.645 118.700 -0.288 0.000 2.979 114 N HA -0.116 4.624 4.740 -0.000 0.000 0.234 114 N C -0.426 174.838 175.510 -0.411 0.000 0.938 114 N CA 1.422 54.337 53.050 -0.225 0.000 0.961 114 N CB -1.884 36.517 38.487 -0.144 0.000 1.089 114 N HN 0.871 nan 8.380 nan 0.000 0.576 115 W N -0.358 120.706 121.300 -0.393 0.000 2.706 115 W HA 0.722 5.381 4.660 -0.000 0.000 0.346 115 W C -0.032 176.397 176.519 -0.149 0.000 1.071 115 W CA -0.616 56.510 57.345 -0.364 0.000 1.206 115 W CB 0.593 29.879 29.460 -0.290 0.000 1.413 115 W HN -0.038 nan 8.180 nan 0.000 0.542 116 E N 1.318 121.680 120.200 0.270 0.000 2.676 116 E HA 0.333 4.683 4.350 -0.000 0.000 0.222 116 E C 0.475 177.335 176.600 0.434 0.000 0.968 116 E CA -0.080 56.439 56.400 0.199 0.000 1.090 116 E CB 1.452 31.159 29.700 0.012 0.000 1.066 116 E HN 0.607 nan 8.360 nan 0.000 0.496 117 G N 0.232 109.322 108.800 0.484 0.000 2.682 117 G HA2 0.694 4.654 3.960 -0.000 0.000 0.290 117 G HA3 0.694 4.654 3.960 -0.000 0.000 0.290 117 G C -1.688 173.336 174.900 0.206 0.000 1.425 117 G CA -0.692 44.599 45.100 0.320 0.000 0.807 117 G HN 0.077 nan 8.290 nan 0.000 0.482 118 I N -0.140 120.520 120.570 0.150 0.000 2.619 118 I HA 0.619 4.789 4.170 -0.000 0.000 0.292 118 I C -1.664 174.573 176.117 0.201 0.000 1.100 118 I CA -1.200 60.143 61.300 0.071 0.000 1.043 118 I CB 2.140 40.235 38.000 0.157 0.000 1.239 118 I HN 0.434 nan 8.210 nan 0.000 0.420 119 L N 7.988 129.254 121.223 0.071 0.000 2.313 119 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 119 L C -0.019 176.844 176.870 -0.012 0.000 1.028 119 L CA -0.077 54.773 54.840 0.017 0.000 0.871 119 L CB 0.978 42.885 42.059 -0.253 0.000 1.242 119 L HN 0.628 nan 8.230 nan 0.000 0.434 120 G N 5.121 113.980 108.800 0.099 0.000 2.372 120 G HA2 0.336 4.296 3.960 -0.000 0.000 0.286 120 G HA3 0.336 4.296 3.960 -0.000 0.000 0.286 120 G C 0.496 175.408 174.900 0.021 0.000 1.153 120 G CA -0.372 44.778 45.100 0.083 0.000 0.985 120 G HN 0.744 nan 8.290 nan 0.000 0.429 121 L N 2.005 123.197 121.223 -0.051 0.000 2.592 121 L HA 0.231 4.571 4.340 -0.000 0.000 0.227 121 L C 1.917 178.763 176.870 -0.040 0.000 1.127 121 L CA -0.147 54.631 54.840 -0.104 0.000 0.884 121 L CB -0.154 41.686 42.059 -0.366 0.000 1.065 121 L HN 0.580 nan 8.230 nan 0.000 0.457 122 A N -0.963 121.800 122.820 -0.095 0.000 2.250 122 A HA 0.380 4.699 4.320 -0.000 0.000 0.283 122 A C -0.606 176.753 177.584 -0.376 0.000 1.206 122 A CA -0.239 51.566 52.037 -0.386 0.000 0.840 122 A CB 0.027 18.855 19.000 -0.287 0.000 1.220 122 A HN 0.096 nan 8.150 nan 0.000 0.505 123 Y N -1.201 118.981 120.300 -0.196 0.000 2.314 123 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 123 Y C 1.732 177.614 175.900 -0.031 0.000 1.266 123 Y CA 0.385 58.446 58.100 -0.064 0.000 1.391 123 Y CB 0.631 39.065 38.460 -0.045 0.000 1.306 123 Y HN 0.708 nan 8.280 nan 0.000 0.558 124 A N 1.153 124.084 122.820 0.185 0.000 1.927 124 A HA -0.323 3.997 4.320 -0.000 0.000 0.220 124 A C 2.034 179.661 177.584 0.072 0.000 1.185 124 A CA 2.172 54.272 52.037 0.105 0.000 0.639 124 A CB -0.941 18.119 19.000 0.100 0.000 0.820 124 A HN 0.970 nan 8.150 nan 0.000 0.451 125 E N 0.142 120.399 120.200 0.094 0.000 2.253 125 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 125 E C 1.440 178.063 176.600 0.039 0.000 1.014 125 E CA 1.721 58.163 56.400 0.069 0.000 0.823 125 E CB -0.366 29.396 29.700 0.103 0.000 0.736 125 E HN 0.842 nan 8.360 nan 0.000 0.478 126 I N -2.867 117.693 120.570 -0.017 0.000 3.941 126 I HA 0.448 4.618 4.170 -0.000 0.000 0.335 126 I C 0.377 176.432 176.117 -0.104 0.000 1.402 126 I CA -0.595 60.635 61.300 -0.117 0.000 1.112 126 I CB 0.485 38.255 38.000 -0.382 0.000 1.043 126 I HN -0.029 nan 8.210 nan 0.000 0.395 127 A N 1.913 124.705 122.820 -0.046 0.000 2.354 127 A HA 0.652 4.972 4.320 -0.000 0.000 0.269 127 A C 0.043 177.587 177.584 -0.068 0.000 1.109 127 A CA -0.415 51.605 52.037 -0.029 0.000 0.800 127 A CB 0.477 19.490 19.000 0.022 0.000 1.045 127 A HN 0.321 nan 8.150 nan 0.000 0.489 128 R N 1.756 122.197 120.500 -0.100 0.000 2.540 128 R HA 0.379 4.719 4.340 -0.000 0.000 0.287 128 R C -2.242 174.005 176.300 -0.088 0.000 0.980 128 R CA -2.365 53.631 56.100 -0.173 0.000 0.966 128 R CB 0.447 30.533 30.300 -0.357 0.000 1.106 128 R HN 0.403 nan 8.270 nan 0.000 0.480 129 P HA -0.088 nan 4.420 nan 0.000 0.221 129 P C -0.692 176.550 177.300 -0.097 0.000 1.150 129 P CA 1.152 64.175 63.100 -0.128 0.000 0.800 129 P CB 0.367 32.028 31.700 -0.066 0.000 0.787 130 D N -3.886 116.481 120.400 -0.054 0.000 2.692 130 D HA 0.093 4.732 4.640 -0.000 0.000 0.303 130 D C -0.634 175.659 176.300 -0.012 0.000 1.278 130 D CA -0.748 53.232 54.000 -0.035 0.000 0.852 130 D CB -0.356 40.430 40.800 -0.023 0.000 1.375 130 D HN -0.258 nan 8.370 nan 0.000 0.453 131 D N -0.943 119.456 120.400 -0.002 0.000 2.368 131 D HA -0.048 4.592 4.640 -0.000 0.000 0.250 131 D C 0.905 177.218 176.300 0.022 0.000 1.142 131 D CA 0.555 54.565 54.000 0.016 0.000 0.925 131 D CB -0.338 40.474 40.800 0.019 0.000 0.896 131 D HN 0.299 nan 8.370 nan 0.000 0.525 132 S N -1.036 114.674 115.700 0.016 0.000 2.517 132 S HA 0.081 4.551 4.470 -0.000 0.000 0.214 132 S C 0.670 175.286 174.600 0.028 0.000 0.991 132 S CA -0.705 57.506 58.200 0.019 0.000 0.906 132 S CB -0.238 62.969 63.200 0.013 0.000 0.789 132 S HN 0.215 nan 8.310 nan 0.000 0.513 133 L N 3.613 124.856 121.223 0.033 0.000 2.334 133 L HA 0.382 4.721 4.340 -0.000 0.000 0.286 133 L C 0.192 177.100 176.870 0.063 0.000 1.108 133 L CA -0.222 54.648 54.840 0.050 0.000 0.875 133 L CB 0.101 42.193 42.059 0.056 0.000 1.246 133 L HN 0.296 nan 8.230 nan 0.000 0.439 134 E N 6.538 126.773 120.200 0.059 0.000 2.498 134 E HA 0.064 4.414 4.350 -0.000 0.000 0.252 134 E C -2.124 174.528 176.600 0.087 0.000 1.025 134 E CA -1.318 55.118 56.400 0.060 0.000 0.938 134 E CB 0.514 30.234 29.700 0.034 0.000 0.947 134 E HN 0.440 nan 8.360 nan 0.000 0.478 135 P HA -0.045 nan 4.420 nan 0.000 0.271 135 P C 0.020 177.401 177.300 0.136 0.000 1.233 135 P CA -0.227 62.957 63.100 0.139 0.000 0.789 135 P CB 0.382 32.152 31.700 0.116 0.000 0.951 136 F N 1.562 121.536 119.950 0.040 0.000 2.043 136 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 136 F C 2.073 177.856 175.800 -0.029 0.000 1.121 136 F CA 1.612 59.587 58.000 -0.042 0.000 1.199 136 F CB -0.925 37.950 39.000 -0.209 0.000 0.968 136 F HN 0.207 nan 8.300 nan 0.000 0.478 137 F N 1.395 121.295 119.950 -0.084 0.000 2.192 137 F HA -0.256 4.270 4.527 -0.001 0.000 0.301 137 F C 2.364 178.069 175.800 -0.158 0.000 1.079 137 F CA 2.169 60.084 58.000 -0.141 0.000 1.303 137 F CB -0.606 38.395 39.000 0.001 0.000 1.024 137 F HN 0.113 nan 8.300 nan 0.000 0.494 138 D N -0.958 119.452 120.400 0.017 0.000 2.117 138 D HA -0.140 4.499 4.640 -0.000 0.000 0.198 138 D C 2.377 178.581 176.300 -0.160 0.000 0.982 138 D CA 1.589 55.581 54.000 -0.014 0.000 0.828 138 D CB -0.152 40.679 40.800 0.051 0.000 0.967 138 D HN 0.252 nan 8.370 nan 0.000 0.464 139 S N 1.166 116.729 115.700 -0.227 0.000 2.359 139 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 139 S C 1.954 176.322 174.600 -0.388 0.000 1.035 139 S CA 0.526 58.562 58.200 -0.273 0.000 1.018 139 S CB -0.361 62.666 63.200 -0.287 0.000 0.876 139 S HN 0.156 nan 8.310 nan 0.000 0.448 140 L N 2.125 122.970 121.223 -0.630 0.000 2.012 140 L HA -0.076 4.263 4.340 -0.000 0.000 0.210 140 L C 2.216 178.813 176.870 -0.456 0.000 1.073 140 L CA 1.710 56.170 54.840 -0.633 0.000 0.748 140 L CB -0.893 40.645 42.059 -0.869 0.000 0.891 140 L HN 0.153 nan 8.230 nan 0.000 0.431 141 V N -0.306 119.328 119.914 -0.467 0.000 2.343 141 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 141 V C 2.626 178.601 176.094 -0.199 0.000 1.051 141 V CA 2.149 64.269 62.300 -0.301 0.000 1.036 141 V CB -0.664 31.039 31.823 -0.200 0.000 0.654 141 V HN 0.471 nan 8.190 nan 0.000 0.451 142 K N -0.509 119.783 120.400 -0.179 0.000 2.057 142 K HA -0.159 4.160 4.320 -0.000 0.000 0.206 142 K C 2.260 178.762 176.600 -0.163 0.000 1.050 142 K CA 1.386 57.591 56.287 -0.136 0.000 0.935 142 K CB -0.145 32.295 32.500 -0.101 0.000 0.715 142 K HN 0.518 nan 8.250 nan 0.000 0.439 143 Q N 0.036 119.723 119.800 -0.188 0.000 2.245 143 Q HA -0.044 4.295 4.340 -0.000 0.000 0.201 143 Q C 1.134 177.004 176.000 -0.216 0.000 0.955 143 Q CA 1.141 56.836 55.803 -0.179 0.000 0.870 143 Q CB 0.353 28.995 28.738 -0.160 0.000 0.945 143 Q HN 0.366 nan 8.270 nan 0.000 0.461 144 T N -3.655 110.755 114.554 -0.240 0.000 2.819 144 T HA 0.229 4.579 4.350 -0.000 0.000 0.271 144 T C 0.234 174.743 174.700 -0.319 0.000 0.986 144 T CA -0.618 61.336 62.100 -0.244 0.000 0.989 144 T CB 0.766 69.546 68.868 -0.148 0.000 1.396 144 T HN 0.064 nan 8.240 nan 0.000 0.597 145 H N -1.399 117.637 119.070 -0.057 0.000 2.586 145 H HA 0.461 5.017 4.556 -0.000 0.000 0.273 145 H C 0.324 175.630 175.328 -0.036 0.000 0.997 145 H CA -0.265 55.761 56.048 -0.038 0.000 1.177 145 H CB 0.256 30.006 29.762 -0.019 0.000 1.471 145 H HN 0.243 nan 8.280 nan 0.000 0.538 146 V N 3.713 123.640 119.914 0.022 0.000 2.678 146 V HA -0.083 4.037 4.120 -0.000 0.000 0.304 146 V C -1.863 174.239 176.094 0.013 0.000 1.086 146 V CA -0.721 61.580 62.300 0.002 0.000 1.246 146 V CB 0.247 32.014 31.823 -0.093 0.000 0.861 146 V HN 0.200 nan 8.190 nan 0.000 0.491 147 P HA 0.067 nan 4.420 nan 0.000 0.269 147 P C -0.094 177.303 177.300 0.161 0.000 1.209 147 P CA -0.311 62.851 63.100 0.104 0.000 0.776 147 P CB 0.306 32.074 31.700 0.115 0.000 0.876 148 N N 3.029 121.838 118.700 0.180 0.000 2.892 148 N HA 0.180 4.919 4.740 -0.000 0.000 0.300 148 N C -0.959 174.768 175.510 0.362 0.000 1.211 148 N CA 0.432 53.676 53.050 0.323 0.000 1.158 148 N CB -1.150 37.484 38.487 0.245 0.000 1.455 148 N HN 0.331 nan 8.380 nan 0.000 0.524 149 L N 2.196 123.695 121.223 0.460 0.000 2.672 149 L HA 0.557 4.897 4.340 -0.000 0.000 0.256 149 L C -1.887 175.204 176.870 0.369 0.000 0.946 149 L CA -0.920 54.073 54.840 0.256 0.000 0.889 149 L CB 1.062 43.207 42.059 0.143 0.000 1.441 149 L HN 0.235 nan 8.230 nan 0.000 0.418 150 F N 1.310 121.282 119.950 0.037 0.000 2.654 150 F HA 0.855 5.382 4.527 -0.000 0.000 0.308 150 F C -1.307 174.482 175.800 -0.019 0.000 1.108 150 F CA -0.407 57.599 58.000 0.011 0.000 0.957 150 F CB 1.741 40.670 39.000 -0.118 0.000 1.309 150 F HN 0.429 nan 8.300 nan 0.000 0.446 151 S N 2.574 118.405 115.700 0.218 0.000 2.570 151 S HA 0.866 5.335 4.470 -0.000 0.000 0.286 151 S C -1.516 173.181 174.600 0.161 0.000 1.099 151 S CA -0.903 57.289 58.200 -0.014 0.000 0.913 151 S CB 2.111 65.095 63.200 -0.361 0.000 1.085 151 S HN 0.859 nan 8.310 nan 0.000 0.480 152 L N 1.632 122.894 121.223 0.064 0.000 2.381 152 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 152 L C -0.427 176.507 176.870 0.108 0.000 0.988 152 L CA -0.373 54.533 54.840 0.110 0.000 0.824 152 L CB 2.034 44.166 42.059 0.122 0.000 1.263 152 L HN 0.766 nan 8.230 nan 0.000 0.410 153 Q N 5.170 125.057 119.800 0.146 0.000 2.508 153 Q HA 0.455 4.795 4.340 -0.000 0.000 0.247 153 Q C -1.651 174.331 176.000 -0.031 0.000 1.047 153 Q CA -0.520 55.370 55.803 0.145 0.000 0.783 153 Q CB 1.081 29.917 28.738 0.164 0.000 1.172 153 Q HN 0.627 nan 8.270 nan 0.000 0.515 154 L N 3.229 124.372 121.223 -0.134 0.000 2.275 154 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 154 L C -0.478 176.336 176.870 -0.093 0.000 1.046 154 L CA -0.806 53.832 54.840 -0.337 0.000 0.805 154 L CB 1.114 42.764 42.059 -0.682 0.000 1.193 154 L HN 0.612 nan 8.230 nan 0.000 0.426 155 c N 2.298 120.926 118.600 0.047 0.000 2.382 155 c HA 0.694 5.264 4.570 -0.000 0.000 0.327 155 c C 1.163 175.337 174.090 0.139 0.000 1.250 155 c CA -0.769 55.601 56.329 0.069 0.000 1.707 155 c CB 0.924 43.461 42.510 0.045 0.000 2.272 155 c HN 0.978 nan 8.230 nan 0.000 0.506 156 G N 1.174 110.015 108.800 0.068 0.000 2.489 156 G HA2 0.610 4.569 3.960 -0.000 0.000 0.271 156 G HA3 0.610 4.569 3.960 -0.000 0.000 0.271 156 G C -0.199 174.724 174.900 0.039 0.000 1.427 156 G CA 0.394 45.534 45.100 0.067 0.000 1.057 156 G HN 1.188 nan 8.290 nan 0.000 0.532 170 V N 0.596 120.466 119.914 -0.074 0.000 3.160 170 V HA 1.054 5.174 4.120 -0.000 0.000 0.310 170 V C 0.674 176.728 176.094 -0.066 0.000 1.181 170 V CA 0.011 62.265 62.300 -0.076 0.000 1.047 170 V CB 1.776 33.489 31.823 -0.183 0.000 1.068 170 V HN 1.629 nan 8.190 nan 0.000 0.441 171 G N -1.147 107.685 108.800 0.054 0.000 2.606 171 G HA2 0.876 4.836 3.960 -0.000 0.000 0.300 171 G HA3 0.876 4.836 3.960 -0.000 0.000 0.300 171 G C -0.586 174.415 174.900 0.169 0.000 1.360 171 G CA 0.221 45.366 45.100 0.076 0.000 0.783 171 G HN 1.532 nan 8.290 nan 0.000 0.484 172 G N -1.471 107.378 108.800 0.082 0.000 2.335 172 G HA2 0.641 4.601 3.960 -0.000 0.000 0.291 172 G HA3 0.641 4.601 3.960 -0.000 0.000 0.291 172 G C -1.173 173.734 174.900 0.012 0.000 1.261 172 G CA 0.483 45.604 45.100 0.035 0.000 0.871 172 G HN 1.514 nan 8.290 nan 0.000 0.491 173 S N -0.676 115.033 115.700 0.015 0.000 2.549 173 S HA 0.723 5.192 4.470 -0.000 0.000 0.280 173 S C -0.599 174.040 174.600 0.066 0.000 1.109 173 S CA -0.548 57.676 58.200 0.040 0.000 0.905 173 S CB 1.942 65.175 63.200 0.056 0.000 1.081 173 S HN 0.917 nan 8.310 nan 0.000 0.477 174 M N 3.466 123.108 119.600 0.068 0.000 2.022 174 M HA 0.448 4.928 4.480 -0.000 0.000 0.298 174 M C -1.825 174.550 176.300 0.125 0.000 0.909 174 M CA -0.701 54.648 55.300 0.082 0.000 0.914 174 M CB 0.274 32.876 32.600 0.003 0.000 1.486 174 M HN 0.488 nan 8.290 nan 0.000 0.415 175 I N 6.340 127.023 120.570 0.188 0.000 2.294 175 I HA 0.209 4.379 4.170 -0.000 0.000 0.295 175 I C 0.032 176.289 176.117 0.233 0.000 1.098 175 I CA -0.358 61.062 61.300 0.199 0.000 1.277 175 I CB -0.186 37.955 38.000 0.234 0.000 1.434 175 I HN 0.596 nan 8.210 nan 0.000 0.498 176 I N 5.378 126.073 120.570 0.209 0.000 2.396 176 I HA 0.281 4.450 4.170 -0.000 0.000 0.289 176 I C 1.316 177.580 176.117 0.244 0.000 1.056 176 I CA 0.153 61.614 61.300 0.269 0.000 1.365 176 I CB 0.439 38.564 38.000 0.208 0.000 1.407 176 I HN 0.866 nan 8.210 nan 0.000 0.509 177 G N 4.240 113.232 108.800 0.320 0.000 2.157 177 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.239 177 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.239 177 G C 0.368 175.385 174.900 0.195 0.000 0.982 177 G CA 0.011 45.252 45.100 0.235 0.000 0.650 177 G HN 1.290 nan 8.290 nan 0.000 0.527 178 G N -1.249 107.671 108.800 0.201 0.000 2.356 178 G HA2 0.540 4.500 3.960 -0.000 0.000 0.281 178 G HA3 0.540 4.500 3.960 -0.000 0.000 0.281 178 G C -1.566 173.429 174.900 0.159 0.000 1.246 178 G CA -0.281 44.916 45.100 0.162 0.000 0.889 178 G HN 0.820 nan 8.290 nan 0.000 0.486 179 I N 1.093 121.769 120.570 0.176 0.000 2.498 179 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 179 I C -1.341 174.928 176.117 0.254 0.000 1.032 179 I CA -0.643 60.784 61.300 0.211 0.000 1.073 179 I CB 2.229 40.302 38.000 0.120 0.000 1.251 179 I HN 0.387 nan 8.210 nan 0.000 0.426 180 D N 5.591 126.154 120.400 0.273 0.000 2.412 180 D HA 0.172 4.812 4.640 -0.000 0.000 0.224 180 D C 0.958 177.298 176.300 0.068 0.000 1.093 180 D CA -0.220 53.883 54.000 0.170 0.000 0.850 180 D CB 0.765 41.625 40.800 0.100 0.000 1.046 180 D HN 0.543 nan 8.370 nan 0.000 0.507 181 H N 1.582 120.693 119.070 0.070 0.000 2.543 181 H HA -0.084 4.472 4.556 -0.000 0.000 0.286 181 H C 1.563 176.703 175.328 -0.313 0.000 1.037 181 H CA 0.949 56.934 56.048 -0.105 0.000 1.250 181 H CB 0.470 30.181 29.762 -0.086 0.000 1.373 181 H HN 0.347 nan 8.280 nan 0.000 0.580 182 S N 0.186 115.819 115.700 -0.111 0.000 2.593 182 S HA 0.080 4.550 4.470 -0.000 0.000 0.217 182 S C 1.637 176.118 174.600 -0.200 0.000 0.966 182 S CA -0.129 57.982 58.200 -0.147 0.000 0.914 182 S CB -0.237 62.920 63.200 -0.071 0.000 0.776 182 S HN 0.272 nan 8.310 nan 0.000 0.523 183 L N 0.340 121.387 121.223 -0.294 0.000 2.585 183 L HA 0.377 4.716 4.340 -0.000 0.000 0.226 183 L C 0.167 176.870 176.870 -0.279 0.000 1.113 183 L CA -0.244 54.385 54.840 -0.351 0.000 0.876 183 L CB -0.072 41.618 42.059 -0.615 0.000 1.072 183 L HN 0.586 nan 8.230 nan 0.000 0.468 184 Y N -2.387 117.715 120.300 -0.330 0.000 2.625 184 Y HA 0.669 5.218 4.550 -0.000 0.000 0.338 184 Y C -0.391 175.456 175.900 -0.088 0.000 1.123 184 Y CA -1.500 56.497 58.100 -0.171 0.000 1.046 184 Y CB 0.856 39.264 38.460 -0.086 0.000 1.299 184 Y HN -0.092 nan 8.280 nan 0.000 0.464 185 T N -0.980 113.584 114.554 0.016 0.000 2.930 185 T HA 0.813 5.162 4.350 -0.000 0.000 0.290 185 T C 0.405 175.183 174.700 0.130 0.000 1.052 185 T CA -0.297 61.774 62.100 -0.048 0.000 1.017 185 T CB 1.074 69.902 68.868 -0.067 0.000 1.137 185 T HN 2.323 nan 8.240 nan 0.000 0.511 186 G N 1.277 110.125 108.800 0.080 0.000 2.698 186 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.233 186 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.233 186 G C -0.260 174.766 174.900 0.210 0.000 1.352 186 G CA -0.350 44.833 45.100 0.139 0.000 0.879 186 G HN 1.354 nan 8.290 nan 0.000 0.567 187 S N -0.532 115.271 115.700 0.171 0.000 2.585 187 S HA 0.645 5.115 4.470 -0.000 0.000 0.277 187 S C 0.472 175.037 174.600 -0.059 0.000 1.241 187 S CA -0.638 57.583 58.200 0.036 0.000 1.041 187 S CB 1.609 64.725 63.200 -0.141 0.000 0.987 187 S HN 0.656 nan 8.310 nan 0.000 0.512 188 L N 1.992 123.075 121.223 -0.234 0.000 2.305 188 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 188 L C -1.152 175.324 176.870 -0.656 0.000 1.085 188 L CA -0.269 54.313 54.840 -0.430 0.000 0.813 188 L CB 0.533 42.290 42.059 -0.503 0.000 1.157 188 L HN 0.686 nan 8.230 nan 0.000 0.436 189 W N 2.986 123.880 121.300 -0.676 0.000 2.532 189 W HA 0.418 5.077 4.660 -0.001 0.000 0.321 189 W C -0.724 175.225 176.519 -0.949 0.000 1.037 189 W CA -0.297 56.509 57.345 -0.897 0.000 1.220 189 W CB 0.954 29.481 29.460 -1.555 0.000 1.361 189 W HN 0.213 nan 8.180 nan 0.000 0.468 190 Y N 1.675 121.866 120.300 -0.181 0.000 2.361 190 Y HA 0.541 5.090 4.550 -0.000 0.000 0.332 190 Y C 0.655 176.778 175.900 0.372 0.000 1.101 190 Y CA -0.623 57.510 58.100 0.055 0.000 1.137 190 Y CB 1.936 40.385 38.460 -0.018 0.000 1.207 190 Y HN 0.150 nan 8.280 nan 0.000 0.463 191 T N 4.753 119.629 114.554 0.536 0.000 2.841 191 T HA 0.489 4.839 4.350 -0.000 0.000 0.283 191 T C -2.847 172.023 174.700 0.283 0.000 1.000 191 T CA -2.559 59.802 62.100 0.435 0.000 0.977 191 T CB 1.067 70.146 68.868 0.353 0.000 0.979 191 T HN 0.246 nan 8.240 nan 0.000 0.446 192 P HA 0.268 nan 4.420 nan 0.000 0.269 192 P C -0.561 176.845 177.300 0.176 0.000 1.209 192 P CA -0.180 63.020 63.100 0.168 0.000 0.776 192 P CB 0.346 32.126 31.700 0.132 0.000 0.876 193 I N 3.442 124.120 120.570 0.180 0.000 2.322 193 I HA 0.170 4.339 4.170 -0.000 0.000 0.292 193 I C 1.946 178.169 176.117 0.178 0.000 1.060 193 I CA -0.125 61.311 61.300 0.226 0.000 1.309 193 I CB 0.623 38.793 38.000 0.283 0.000 1.415 193 I HN 0.437 nan 8.210 nan 0.000 0.492 194 R N 5.913 126.528 120.500 0.192 0.000 2.105 194 R HA -0.030 4.310 4.340 -0.000 0.000 0.239 194 R C 0.726 177.097 176.300 0.117 0.000 1.135 194 R CA 1.318 57.509 56.100 0.152 0.000 0.967 194 R CB 0.281 30.686 30.300 0.175 0.000 0.861 194 R HN 0.629 nan 8.270 nan 0.000 0.442 195 R N -0.178 120.425 120.500 0.171 0.000 2.594 195 R HA 0.077 4.417 4.340 -0.000 0.000 0.265 195 R C -1.656 174.727 176.300 0.139 0.000 1.070 195 R CA -0.498 55.643 56.100 0.068 0.000 0.909 195 R CB 1.407 31.661 30.300 -0.075 0.000 1.243 195 R HN 0.037 nan 8.270 nan 0.000 0.455 196 E N 4.623 124.744 120.200 -0.132 0.000 1.892 196 E HA 0.089 4.439 4.350 -0.000 0.000 0.271 196 E C -0.192 176.336 176.600 -0.120 0.000 1.146 196 E CA -0.025 56.068 56.400 -0.512 0.000 1.096 196 E CB 0.185 29.232 29.700 -1.089 0.000 1.155 196 E HN 0.475 nan 8.360 nan 0.000 0.458 197 W N 1.000 122.237 121.300 -0.106 0.000 4.559 197 W HA 0.219 4.879 4.660 -0.000 0.000 0.172 197 W C -0.242 176.249 176.519 -0.046 0.000 3.305 197 W CA -0.238 57.074 57.345 -0.055 0.000 1.529 197 W CB -0.564 28.849 29.460 -0.078 0.000 1.951 197 W HN -0.001 nan 8.180 nan 0.000 0.514 198 Y N 0.292 120.278 120.300 -0.525 0.000 2.344 198 Y HA 0.319 4.868 4.550 -0.001 0.000 0.330 198 Y C -0.130 175.655 175.900 -0.192 0.000 1.330 198 Y CA -0.478 57.340 58.100 -0.471 0.000 1.479 198 Y CB 0.155 38.179 38.460 -0.728 0.000 1.428 198 Y HN -0.137 nan 8.280 nan 0.000 0.544 199 Y N 0.980 121.446 120.300 0.276 0.000 2.636 199 Y HA 0.111 4.661 4.550 -0.000 0.000 0.334 199 Y C 0.369 176.411 175.900 0.237 0.000 1.286 199 Y CA -0.323 57.968 58.100 0.317 0.000 1.688 199 Y CB -0.207 38.468 38.460 0.358 0.000 1.662 199 Y HN 0.418 nan 8.280 nan 0.000 0.465 200 E N 2.446 122.854 120.200 0.346 0.000 2.338 200 E HA 0.378 4.728 4.350 -0.000 0.000 0.272 200 E C -0.724 176.034 176.600 0.265 0.000 1.029 200 E CA -0.389 56.187 56.400 0.293 0.000 0.872 200 E CB 0.845 30.814 29.700 0.448 0.000 1.015 200 E HN 0.413 nan 8.360 nan 0.000 0.417 201 V N 1.382 121.413 119.914 0.195 0.000 3.160 201 V HA 0.622 4.741 4.120 -0.000 0.000 0.310 201 V C -0.554 175.606 176.094 0.111 0.000 1.181 201 V CA -1.014 61.378 62.300 0.153 0.000 1.047 201 V CB 1.717 33.619 31.823 0.132 0.000 1.068 201 V HN 0.564 nan 8.190 nan 0.000 0.441 202 I N 1.950 122.566 120.570 0.076 0.000 2.410 202 I HA 0.485 4.655 4.170 -0.000 0.000 0.286 202 I C -0.679 175.441 176.117 0.005 0.000 1.009 202 I CA -0.422 60.916 61.300 0.063 0.000 1.111 202 I CB 1.796 39.842 38.000 0.075 0.000 1.262 202 I HN 0.501 nan 8.210 nan 0.000 0.443 203 I N 6.765 127.346 120.570 0.018 0.000 2.352 203 I HA 0.081 4.251 4.170 -0.000 0.000 0.290 203 I C 1.218 177.365 176.117 0.049 0.000 1.036 203 I CA -0.203 61.075 61.300 -0.036 0.000 1.336 203 I CB 1.485 39.454 38.000 -0.051 0.000 1.407 203 I HN 0.510 nan 8.210 nan 0.000 0.497 204 V N 2.966 122.874 119.914 -0.011 0.000 3.644 204 V HA 0.359 4.478 4.120 -0.000 0.000 0.267 204 V C 0.645 176.760 176.094 0.034 0.000 1.277 204 V CA 0.182 62.507 62.300 0.041 0.000 1.096 204 V CB -0.230 31.588 31.823 -0.009 0.000 0.828 204 V HN 0.854 nan 8.190 nan 0.000 0.446 205 R N -0.580 119.860 120.500 -0.099 0.000 2.664 205 R HA 0.696 5.035 4.340 -0.000 0.000 0.266 205 R C -2.414 173.662 176.300 -0.373 0.000 1.046 205 R CA -0.396 55.563 56.100 -0.234 0.000 0.885 205 R CB 2.679 32.653 30.300 -0.543 0.000 1.254 205 R HN 0.054 nan 8.270 nan 0.000 0.465 206 V N 2.371 122.016 119.914 -0.448 0.000 2.760 206 V HA 0.500 4.620 4.120 -0.000 0.000 0.309 206 V C -0.958 175.042 176.094 -0.157 0.000 1.077 206 V CA -0.729 61.345 62.300 -0.377 0.000 0.910 206 V CB 2.072 33.492 31.823 -0.671 0.000 1.008 206 V HN 0.797 nan 8.190 nan 0.000 0.424 207 E N 4.343 124.509 120.200 -0.057 0.000 2.314 207 E HA 0.602 4.952 4.350 -0.000 0.000 0.272 207 E C -1.599 174.998 176.600 -0.005 0.000 0.884 207 E CA -0.830 55.563 56.400 -0.012 0.000 0.753 207 E CB 2.896 32.627 29.700 0.051 0.000 1.213 207 E HN 0.390 nan 8.360 nan 0.000 0.432 208 I N 2.832 123.406 120.570 0.006 0.000 2.382 208 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 208 I C -0.040 176.105 176.117 0.047 0.000 1.002 208 I CA -0.704 60.611 61.300 0.025 0.000 1.135 208 I CB 0.977 38.984 38.000 0.013 0.000 1.288 208 I HN 0.603 nan 8.210 nan 0.000 0.448 209 N N 5.124 123.866 118.700 0.071 0.000 2.727 209 N HA -0.214 4.525 4.740 -0.000 0.000 0.249 209 N C 1.193 176.742 175.510 0.064 0.000 1.048 209 N CA 1.360 54.458 53.050 0.080 0.000 0.714 209 N CB -0.697 37.843 38.487 0.089 0.000 0.959 209 N HN 1.147 nan 8.380 nan 0.000 0.544 210 G N -1.631 107.204 108.800 0.058 0.000 2.320 210 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.242 210 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.242 210 G C 0.076 174.998 174.900 0.036 0.000 1.033 210 G CA 0.593 45.727 45.100 0.056 0.000 0.620 210 G HN 0.526 nan 8.290 nan 0.000 0.517 211 Q N 1.679 121.495 119.800 0.027 0.000 2.293 211 Q HA 0.469 4.809 4.340 -0.000 0.000 0.263 211 Q C -0.004 175.993 176.000 -0.004 0.000 1.002 211 Q CA -0.161 55.648 55.803 0.010 0.000 0.910 211 Q CB 0.977 29.721 28.738 0.010 0.000 1.185 211 Q HN 0.378 nan 8.270 nan 0.000 0.401 212 D N 2.545 122.933 120.400 -0.019 0.000 2.425 212 D HA -0.076 4.564 4.640 -0.000 0.000 0.247 212 D C 0.506 176.802 176.300 -0.007 0.000 1.147 212 D CA -0.083 53.894 54.000 -0.037 0.000 0.879 212 D CB 1.012 41.779 40.800 -0.056 0.000 1.179 212 D HN 0.473 nan 8.370 nan 0.000 0.456 213 L N 3.908 125.140 121.223 0.014 0.000 2.362 213 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 213 L C 1.552 178.459 176.870 0.062 0.000 1.134 213 L CA 1.115 55.985 54.840 0.051 0.000 0.807 213 L CB -0.618 41.502 42.059 0.101 0.000 0.927 213 L HN 0.661 nan 8.230 nan 0.000 0.447 214 K N -1.252 119.182 120.400 0.057 0.000 3.209 214 K HA -0.239 4.081 4.320 -0.000 0.000 0.289 214 K C 0.142 176.746 176.600 0.006 0.000 1.191 214 K CA 0.681 56.982 56.287 0.024 0.000 0.851 214 K CB -1.333 31.166 32.500 -0.000 0.000 1.242 214 K HN 0.333 nan 8.250 nan 0.000 0.480 215 M N 0.525 120.141 119.600 0.026 0.000 2.342 215 M HA 0.126 4.606 4.480 -0.000 0.000 0.332 215 M C 0.405 176.551 176.300 -0.257 0.000 1.166 215 M CA -0.606 54.617 55.300 -0.128 0.000 1.086 215 M CB 0.720 33.204 32.600 -0.193 0.000 1.541 215 M HN -0.025 nan 8.290 nan 0.000 0.462 216 D N 1.479 121.729 120.400 -0.250 0.000 2.472 216 D HA -0.023 4.617 4.640 -0.000 0.000 0.248 216 D C 1.044 177.094 176.300 -0.418 0.000 1.174 216 D CA -0.157 53.708 54.000 -0.224 0.000 0.883 216 D CB 0.906 41.614 40.800 -0.154 0.000 1.149 216 D HN 0.853 nan 8.370 nan 0.000 0.488 217 C N 3.598 122.713 119.300 -0.307 0.000 2.421 217 C HA -0.021 4.438 4.460 -0.000 0.000 0.296 217 C C 2.019 176.899 174.990 -0.184 0.000 1.470 217 C CA -0.091 58.744 59.018 -0.306 0.000 1.779 217 C CB -0.813 26.969 27.740 0.069 0.000 1.715 217 C HN 0.592 nan 8.230 nan 0.000 0.564 218 K N 0.768 121.093 120.400 -0.126 0.000 2.148 218 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 218 K C 2.209 178.815 176.600 0.010 0.000 1.050 218 K CA 1.311 57.608 56.287 0.018 0.000 0.942 218 K CB -0.082 32.461 32.500 0.071 0.000 0.724 218 K HN 0.539 nan 8.250 nan 0.000 0.446 219 E N 0.207 120.302 120.200 -0.175 0.000 2.110 219 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 219 E C 1.867 178.460 176.600 -0.011 0.000 0.988 219 E CA 1.358 57.671 56.400 -0.146 0.000 0.804 219 E CB -0.348 29.180 29.700 -0.287 0.000 0.745 219 E HN 0.530 nan 8.360 nan 0.000 0.458 220 Y N 1.080 121.412 120.300 0.052 0.000 2.256 220 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 220 Y C 1.505 177.433 175.900 0.048 0.000 1.155 220 Y CA 0.600 58.722 58.100 0.036 0.000 1.203 220 Y CB 0.051 38.515 38.460 0.006 0.000 0.980 220 Y HN 0.043 nan 8.280 nan 0.000 0.530 221 N N -0.821 117.999 118.700 0.201 0.000 2.328 221 N HA -0.037 4.703 4.740 -0.000 0.000 0.247 221 N C -0.722 174.851 175.510 0.105 0.000 1.165 221 N CA -0.199 52.939 53.050 0.146 0.000 0.873 221 N CB -0.072 38.511 38.487 0.160 0.000 1.125 221 N HN 0.211 nan 8.380 nan 0.000 0.513 222 Y N 3.189 123.460 120.300 -0.048 0.000 2.828 222 Y HA -0.075 4.474 4.550 -0.001 0.000 0.359 222 Y C 0.992 176.711 175.900 -0.301 0.000 1.258 222 Y CA 0.602 58.564 58.100 -0.229 0.000 1.652 222 Y CB -0.359 37.987 38.460 -0.190 0.000 1.232 222 Y HN 0.210 nan 8.280 nan 0.000 0.513 223 D N 1.872 121.727 120.400 -0.908 0.000 2.961 223 D HA -0.195 4.445 4.640 -0.000 0.000 0.242 223 D C -0.794 175.437 176.300 -0.114 0.000 0.826 223 D CA 1.884 55.480 54.000 -0.672 0.000 1.934 223 D CB -1.151 39.257 40.800 -0.654 0.000 1.290 223 D HN 0.735 nan 8.370 nan 0.000 0.633 224 K N -1.359 118.989 120.400 -0.087 0.000 2.999 224 K HA 0.624 4.943 4.320 -0.000 0.000 0.295 224 K C -1.702 174.889 176.600 -0.014 0.000 1.082 224 K CA -0.745 55.568 56.287 0.043 0.000 0.816 224 K CB 0.772 33.331 32.500 0.098 0.000 1.492 224 K HN 0.055 nan 8.250 nan 0.000 0.362 225 S N 0.542 116.255 115.700 0.022 0.000 2.571 225 S HA 0.686 5.156 4.470 -0.000 0.000 0.284 225 S C -0.793 173.810 174.600 0.006 0.000 1.128 225 S CA -0.829 57.374 58.200 0.005 0.000 0.970 225 S CB 0.690 63.917 63.200 0.045 0.000 1.039 225 S HN 0.570 nan 8.310 nan 0.000 0.485 226 I N -0.745 119.807 120.570 -0.030 0.000 3.042 226 I HA 0.784 4.954 4.170 -0.000 0.000 0.310 226 I C -1.183 174.998 176.117 0.106 0.000 1.117 226 I CA -1.281 60.034 61.300 0.025 0.000 1.003 226 I CB 1.863 39.788 38.000 -0.125 0.000 1.228 226 I HN 0.257 nan 8.210 nan 0.000 0.443 227 V N 2.740 122.789 119.914 0.225 0.000 2.318 227 V HA 0.310 4.430 4.120 -0.000 0.000 0.271 227 V C -0.773 175.481 176.094 0.267 0.000 1.030 227 V CA 0.050 62.504 62.300 0.256 0.000 0.844 227 V CB 0.527 32.535 31.823 0.309 0.000 1.015 227 V HN 0.663 nan 8.190 nan 0.000 0.460 228 D N 3.170 123.674 120.400 0.173 0.000 2.464 228 D HA 0.205 4.845 4.640 -0.000 0.000 0.243 228 D C 1.220 177.582 176.300 0.104 0.000 1.104 228 D CA -0.080 54.001 54.000 0.136 0.000 0.883 228 D CB 1.841 42.691 40.800 0.084 0.000 1.050 228 D HN 0.526 nan 8.370 nan 0.000 0.524 229 S N 1.263 117.016 115.700 0.088 0.000 2.515 229 S HA -0.006 4.463 4.470 -0.000 0.000 0.231 229 S C 1.746 176.370 174.600 0.040 0.000 0.987 229 S CA 0.534 58.765 58.200 0.051 0.000 0.936 229 S CB 0.160 63.357 63.200 -0.005 0.000 0.766 229 S HN 0.367 nan 8.310 nan 0.000 0.528 230 G N 0.312 109.123 108.800 0.018 0.000 2.985 230 G HA2 0.305 4.265 3.960 -0.000 0.000 0.209 230 G HA3 0.305 4.265 3.960 -0.000 0.000 0.209 230 G C 0.070 174.968 174.900 -0.004 0.000 1.165 230 G CA 0.030 45.114 45.100 -0.026 0.000 0.776 230 G HN 0.483 nan 8.290 nan 0.000 0.541 231 T N -0.333 114.243 114.554 0.036 0.000 2.841 231 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 231 T C 1.159 175.896 174.700 0.063 0.000 1.000 231 T CA -0.404 61.720 62.100 0.041 0.000 0.977 231 T CB 2.084 70.973 68.868 0.035 0.000 0.979 231 T HN -0.057 nan 8.240 nan 0.000 0.446 232 T N 2.988 117.579 114.554 0.062 0.000 2.698 232 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 232 T C 1.131 175.869 174.700 0.064 0.000 1.044 232 T CA 0.992 63.138 62.100 0.076 0.000 1.149 232 T CB -0.131 68.777 68.868 0.066 0.000 0.864 232 T HN 0.431 nan 8.240 nan 0.000 0.419 233 N N 1.040 119.762 118.700 0.036 0.000 2.347 233 N HA 0.248 4.987 4.740 -0.000 0.000 0.253 233 N C -0.603 174.914 175.510 0.012 0.000 1.274 233 N CA -0.429 52.628 53.050 0.012 0.000 0.941 233 N CB 0.176 38.652 38.487 -0.019 0.000 1.200 233 N HN 0.161 nan 8.380 nan 0.000 0.514 234 L N 1.395 122.612 121.223 -0.011 0.000 2.260 234 L HA 0.322 4.661 4.340 -0.000 0.000 0.289 234 L C -0.497 176.365 176.870 -0.014 0.000 1.057 234 L CA -0.444 54.392 54.840 -0.006 0.000 0.811 234 L CB 0.097 42.141 42.059 -0.026 0.000 1.184 234 L HN 0.322 nan 8.230 nan 0.000 0.429 235 R N 6.802 127.299 120.500 -0.005 0.000 2.295 235 R HA 0.563 4.903 4.340 -0.000 0.000 0.324 235 R C -1.125 175.184 176.300 0.015 0.000 0.968 235 R CA -0.720 55.372 56.100 -0.014 0.000 0.837 235 R CB 1.797 32.077 30.300 -0.034 0.000 1.133 235 R HN 0.626 nan 8.270 nan 0.000 0.450 236 L N 4.028 125.287 121.223 0.059 0.000 2.342 236 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 236 L C -2.282 174.658 176.870 0.117 0.000 1.008 236 L CA -2.619 52.291 54.840 0.116 0.000 0.818 236 L CB 2.140 44.323 42.059 0.207 0.000 1.296 236 L HN 0.189 nan 8.230 nan 0.000 0.427 237 P HA 0.001 nan 4.420 nan 0.000 0.267 237 P C 0.284 177.683 177.300 0.165 0.000 1.200 237 P CA -0.149 63.037 63.100 0.144 0.000 0.772 237 P CB 0.729 32.551 31.700 0.203 0.000 0.855 238 K N 3.550 124.031 120.400 0.135 0.000 2.013 238 K HA -0.308 4.012 4.320 -0.000 0.000 0.225 238 K C 1.464 178.158 176.600 0.157 0.000 1.056 238 K CA 2.274 58.646 56.287 0.141 0.000 0.971 238 K CB -0.286 32.266 32.500 0.086 0.000 0.731 238 K HN 0.265 nan 8.250 nan 0.000 0.450 239 K N -0.028 120.417 120.400 0.075 0.000 2.074 239 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 239 K C 2.119 178.763 176.600 0.073 0.000 1.048 239 K CA 1.818 58.128 56.287 0.039 0.000 0.926 239 K CB -0.148 32.328 32.500 -0.040 0.000 0.713 239 K HN 0.091 nan 8.250 nan 0.000 0.444 240 V N 0.998 120.984 119.914 0.119 0.000 2.323 240 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 240 V C 1.987 178.167 176.094 0.144 0.000 1.041 240 V CA 1.560 63.952 62.300 0.153 0.000 1.025 240 V CB -0.566 31.389 31.823 0.220 0.000 0.656 240 V HN 0.208 nan 8.190 nan 0.000 0.451 241 F N 1.583 121.564 119.950 0.052 0.000 2.120 241 F HA -0.227 4.300 4.527 -0.001 0.000 0.300 241 F C 2.360 178.187 175.800 0.046 0.000 1.095 241 F CA 2.212 60.243 58.000 0.052 0.000 1.249 241 F CB -0.265 38.771 39.000 0.059 0.000 0.995 241 F HN 0.242 nan 8.300 nan 0.000 0.480 242 E N 0.303 120.513 120.200 0.017 0.000 2.077 242 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 242 E C 2.436 178.940 176.600 -0.160 0.000 0.989 242 E CA 1.020 57.358 56.400 -0.102 0.000 0.800 242 E CB -0.519 29.199 29.700 0.030 0.000 0.746 242 E HN 0.514 nan 8.360 nan 0.000 0.452 243 A N 1.715 124.488 122.820 -0.078 0.000 1.883 243 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 243 A C 2.420 179.937 177.584 -0.113 0.000 1.186 243 A CA 1.931 53.927 52.037 -0.069 0.000 0.624 243 A CB -0.743 18.255 19.000 -0.003 0.000 0.822 243 A HN 0.301 nan 8.150 nan 0.000 0.444 244 A N -0.655 122.086 122.820 -0.132 0.000 1.873 244 A HA 0.013 4.332 4.320 -0.000 0.000 0.215 244 A C 2.222 179.675 177.584 -0.217 0.000 1.186 244 A CA 1.775 53.726 52.037 -0.144 0.000 0.616 244 A CB -1.028 17.899 19.000 -0.121 0.000 0.823 244 A HN 0.444 nan 8.150 nan 0.000 0.442 245 V N 0.520 120.207 119.914 -0.379 0.000 2.392 245 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 245 V C 2.537 178.336 176.094 -0.491 0.000 1.059 245 V CA 2.443 64.446 62.300 -0.495 0.000 1.051 245 V CB -0.742 30.672 31.823 -0.682 0.000 0.658 245 V HN 0.722 nan 8.190 nan 0.000 0.455 246 K N 0.065 120.259 120.400 -0.343 0.000 2.026 246 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 246 K C 2.495 178.967 176.600 -0.214 0.000 1.048 246 K CA 1.823 57.949 56.287 -0.267 0.000 0.929 246 K CB -0.336 32.060 32.500 -0.172 0.000 0.713 246 K HN 0.391 nan 8.250 nan 0.000 0.439 247 S N 0.412 116.015 115.700 -0.161 0.000 2.368 247 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 247 S C 1.903 176.453 174.600 -0.082 0.000 1.029 247 S CA 1.163 59.305 58.200 -0.096 0.000 0.988 247 S CB -0.252 62.911 63.200 -0.061 0.000 0.838 247 S HN 0.376 nan 8.310 nan 0.000 0.462 248 I N 0.821 121.327 120.570 -0.107 0.000 2.439 248 I HA -0.114 4.055 4.170 -0.000 0.000 0.251 248 I C 2.594 178.652 176.117 -0.098 0.000 1.139 248 I CA 0.964 62.260 61.300 -0.007 0.000 1.438 248 I CB -0.237 37.831 38.000 0.113 0.000 1.085 248 I HN 0.251 nan 8.210 nan 0.000 0.427 249 K N 1.071 121.242 120.400 -0.381 0.000 2.002 249 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 249 K C 2.340 178.881 176.600 -0.099 0.000 1.048 249 K CA 1.584 57.639 56.287 -0.385 0.000 0.930 249 K CB -0.293 31.865 32.500 -0.570 0.000 0.714 249 K HN 0.275 nan 8.250 nan 0.000 0.438 250 A N 1.490 124.246 122.820 -0.106 0.000 1.917 250 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 250 A C 2.354 179.930 177.584 -0.013 0.000 1.182 250 A CA 2.143 54.152 52.037 -0.046 0.000 0.633 250 A CB -0.852 18.118 19.000 -0.050 0.000 0.819 250 A HN 0.394 nan 8.150 nan 0.000 0.448 251 A N -0.074 122.742 122.820 -0.007 0.000 1.940 251 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 251 A C 2.198 179.773 177.584 -0.015 0.000 1.176 251 A CA 2.226 54.270 52.037 0.012 0.000 0.631 251 A CB -0.690 18.340 19.000 0.050 0.000 0.814 251 A HN 1.155 nan 8.150 nan 0.000 0.446 252 S N -0.474 115.213 115.700 -0.022 0.000 2.575 252 S HA 0.115 4.585 4.470 -0.000 0.000 0.237 252 S C 1.341 176.004 174.600 0.105 0.000 0.975 252 S CA 0.631 58.801 58.200 -0.050 0.000 0.960 252 S CB -0.365 62.689 63.200 -0.243 0.000 0.822 252 S HN 0.788 nan 8.310 nan 0.000 0.472 253 S N 1.099 116.841 115.700 0.070 0.000 2.462 253 S HA -0.173 4.297 4.470 -0.000 0.000 0.243 253 S C 1.650 176.274 174.600 0.039 0.000 1.003 253 S CA 1.592 59.833 58.200 0.068 0.000 0.970 253 S CB -1.411 61.805 63.200 0.026 0.000 0.762 253 S HN 0.501 nan 8.310 nan 0.000 0.510 254 T N 1.939 116.507 114.554 0.023 0.000 2.737 254 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 254 T C 0.660 175.350 174.700 -0.017 0.000 1.040 254 T CA 1.311 63.412 62.100 0.002 0.000 1.142 254 T CB -0.213 68.653 68.868 -0.003 0.000 0.861 254 T HN 0.679 nan 8.240 nan 0.000 0.456 255 E N 0.567 120.754 120.200 -0.023 0.000 2.263 255 E HA 0.434 4.784 4.350 -0.000 0.000 0.264 255 E C -0.664 175.748 176.600 -0.312 0.000 0.923 255 E CA -0.843 55.450 56.400 -0.178 0.000 0.802 255 E CB 1.570 31.157 29.700 -0.190 0.000 1.228 255 E HN 0.297 nan 8.360 nan 0.000 0.417 256 K N 1.091 121.202 120.400 -0.481 0.000 2.270 256 K HA 0.581 4.901 4.320 -0.000 0.000 0.255 256 K C -1.279 174.943 176.600 -0.631 0.000 0.936 256 K CA -0.634 55.452 56.287 -0.336 0.000 0.809 256 K CB 1.128 33.559 32.500 -0.115 0.000 1.131 256 K HN 0.230 nan 8.250 nan 0.000 0.427 257 F N 1.507 121.509 119.950 0.087 0.000 2.563 257 F HA 0.415 4.942 4.527 -0.000 0.000 0.316 257 F C -2.069 173.766 175.800 0.058 0.000 1.076 257 F CA -2.545 55.406 58.000 -0.080 0.000 0.921 257 F CB 1.359 40.129 39.000 -0.385 0.000 1.209 257 F HN 0.477 nan 8.300 nan 0.000 0.462 258 P HA 0.025 nan 4.420 nan 0.000 0.269 258 P C 0.082 177.544 177.300 0.271 0.000 1.209 258 P CA 0.025 63.228 63.100 0.172 0.000 0.776 258 P CB 1.153 32.911 31.700 0.097 0.000 0.876 259 D N 2.617 123.182 120.400 0.276 0.000 2.158 259 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 259 D C 2.114 178.574 176.300 0.267 0.000 0.995 259 D CA 1.979 56.177 54.000 0.329 0.000 0.846 259 D CB -0.555 40.380 40.800 0.226 0.000 0.941 259 D HN 0.644 nan 8.370 nan 0.000 0.456 260 G N 0.364 109.278 108.800 0.190 0.000 2.485 260 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 260 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 260 G C 1.399 176.388 174.900 0.148 0.000 1.115 260 G CA 0.428 45.619 45.100 0.152 0.000 0.751 260 G HN 0.245 nan 8.290 nan 0.000 0.567 261 F N 0.362 120.293 119.950 -0.032 0.000 2.084 261 F HA 0.032 4.559 4.527 -0.000 0.000 0.296 261 F C 2.211 177.891 175.800 -0.200 0.000 1.111 261 F CA 1.011 58.897 58.000 -0.191 0.000 1.224 261 F CB -0.464 38.275 39.000 -0.435 0.000 0.991 261 F HN 0.222 nan 8.300 nan 0.000 0.471 262 W N 0.499 121.682 121.300 -0.194 0.000 2.721 262 W HA 0.009 4.669 4.660 -0.000 0.000 0.245 262 W C 1.484 178.021 176.519 0.030 0.000 1.276 262 W CA 0.247 57.346 57.345 -0.409 0.000 1.342 262 W CB -0.379 28.938 29.460 -0.238 0.000 1.135 262 W HN 0.025 nan 8.180 nan 0.000 0.654 263 L N 0.159 121.526 121.223 0.239 0.000 2.640 263 L HA 0.345 4.685 4.340 -0.000 0.000 0.230 263 L C 1.801 178.767 176.870 0.161 0.000 1.123 263 L CA 0.471 55.457 54.840 0.243 0.000 0.900 263 L CB -0.531 41.640 42.059 0.187 0.000 1.146 263 L HN 0.180 nan 8.230 nan 0.000 0.484 264 G N 0.508 109.376 108.800 0.114 0.000 2.153 264 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 264 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 264 G C 0.691 175.631 174.900 0.067 0.000 0.994 264 G CA 0.802 45.949 45.100 0.077 0.000 0.698 264 G HN 0.480 nan 8.290 nan 0.000 0.521 265 E N -0.233 120.013 120.200 0.076 0.000 2.038 265 E HA 0.068 4.418 4.350 -0.000 0.000 0.190 265 E C 1.473 178.122 176.600 0.082 0.000 0.967 265 E CA 0.994 57.440 56.400 0.076 0.000 0.816 265 E CB -0.034 29.714 29.700 0.080 0.000 0.784 265 E HN 0.799 nan 8.360 nan 0.000 0.456 266 Q N 1.553 121.416 119.800 0.105 0.000 2.282 266 Q HA 0.405 4.744 4.340 -0.000 0.000 0.260 266 Q C -0.561 175.546 176.000 0.179 0.000 0.964 266 Q CA -1.014 54.854 55.803 0.108 0.000 0.880 266 Q CB 1.363 30.151 28.738 0.083 0.000 1.286 266 Q HN -0.002 nan 8.270 nan 0.000 0.445 267 L N 0.650 121.955 121.223 0.136 0.000 2.475 267 L HA 0.638 4.978 4.340 -0.000 0.000 0.253 267 L C -0.256 176.645 176.870 0.051 0.000 1.198 267 L CA -0.668 54.276 54.840 0.173 0.000 0.814 267 L CB 0.169 42.286 42.059 0.097 0.000 1.134 267 L HN 0.476 nan 8.230 nan 0.000 0.478 268 V N -1.234 118.660 119.914 -0.032 0.000 2.815 268 V HA 0.682 4.802 4.120 -0.000 0.000 0.314 268 V C -0.318 175.590 176.094 -0.309 0.000 1.064 268 V CA -0.349 61.743 62.300 -0.346 0.000 0.952 268 V CB 1.869 33.234 31.823 -0.763 0.000 1.020 268 V HN 1.072 nan 8.190 nan 0.000 0.439 269 C N 1.775 120.778 119.300 -0.496 0.000 2.994 269 C HA 0.745 5.205 4.460 -0.000 0.000 0.304 269 C C -1.285 173.431 174.990 -0.457 0.000 1.273 269 C CA -0.950 57.880 59.018 -0.313 0.000 1.537 269 C CB 2.008 29.637 27.740 -0.185 0.000 2.001 269 C HN 0.872 nan 8.230 nan 0.000 0.471 270 W N 0.682 121.987 121.300 0.008 0.000 3.256 270 W HA 0.348 5.008 4.660 -0.001 0.000 0.324 270 W C -0.696 175.823 176.519 0.000 0.000 1.196 270 W CA -0.489 56.860 57.345 0.007 0.000 1.206 270 W CB 1.186 30.658 29.460 0.020 0.000 1.385 270 W HN 0.709 nan 8.180 nan 0.000 0.522 271 Q N 1.732 121.668 119.800 0.226 0.000 2.339 271 Q HA 0.172 4.512 4.340 -0.000 0.000 0.308 271 Q C 0.699 176.780 176.000 0.134 0.000 1.097 271 Q CA 0.374 56.255 55.803 0.130 0.000 1.007 271 Q CB 0.489 29.288 28.738 0.101 0.000 1.051 271 Q HN 0.400 nan 8.270 nan 0.000 0.381 272 A N 3.299 126.178 122.820 0.098 0.000 2.589 272 A HA 0.094 4.414 4.320 -0.000 0.000 0.265 272 A C 1.351 178.994 177.584 0.098 0.000 0.973 272 A CA 0.968 53.060 52.037 0.092 0.000 0.902 272 A CB -0.726 18.310 19.000 0.059 0.000 0.846 272 A HN 1.214 nan 8.150 nan 0.000 0.489 273 G N 1.761 110.634 108.800 0.123 0.000 2.143 273 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.249 273 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.249 273 G C 0.738 175.692 174.900 0.089 0.000 0.981 273 G CA 1.169 46.340 45.100 0.118 0.000 0.665 273 G HN 2.350 nan 8.290 nan 0.000 0.528 274 T N -2.476 112.117 114.554 0.066 0.000 3.084 274 T HA 0.380 4.730 4.350 -0.000 0.000 0.270 274 T C 0.862 175.436 174.700 -0.209 0.000 1.008 274 T CA 0.860 62.957 62.100 -0.005 0.000 0.900 274 T CB 0.320 69.219 68.868 0.052 0.000 1.084 274 T HN 0.453 nan 8.240 nan 0.000 0.538 275 T N 6.070 120.445 114.554 -0.299 0.000 2.750 275 T HA 0.109 4.458 4.350 -0.000 0.000 0.277 275 T C -1.984 172.142 174.700 -0.957 0.000 0.996 275 T CA -0.472 61.089 62.100 -0.898 0.000 1.195 275 T CB 0.489 68.715 68.868 -1.071 0.000 0.963 275 T HN 0.275 nan 8.240 nan 0.000 0.516 276 P HA 0.043 nan 4.420 nan 0.000 0.238 276 P C 0.417 177.609 177.300 -0.180 0.000 1.714 276 P CA -0.234 62.575 63.100 -0.485 0.000 0.908 276 P CB -0.369 31.075 31.700 -0.426 0.000 1.893 277 W N 2.232 123.507 121.300 -0.041 0.000 2.290 277 W HA -0.315 4.344 4.660 -0.000 0.000 0.311 277 W C 2.149 178.814 176.519 0.244 0.000 1.238 277 W CA 1.657 59.050 57.345 0.080 0.000 1.255 277 W CB -1.617 27.849 29.460 0.011 0.000 1.145 277 W HN 0.285 nan 8.180 nan 0.000 0.506 278 N N 1.552 120.555 118.700 0.504 0.000 2.334 278 N HA -0.224 4.516 4.740 -0.000 0.000 0.187 278 N C 1.340 177.024 175.510 0.291 0.000 1.016 278 N CA 2.068 55.423 53.050 0.508 0.000 0.879 278 N CB -1.177 37.418 38.487 0.180 0.000 0.965 278 N HN 0.461 nan 8.380 nan 0.000 0.438 279 I N -4.750 115.914 120.570 0.156 0.000 3.793 279 I HA 0.309 4.479 4.170 -0.000 0.000 0.315 279 I C -0.611 175.436 176.117 -0.118 0.000 1.275 279 I CA -0.334 60.956 61.300 -0.017 0.000 1.214 279 I CB -0.180 37.736 38.000 -0.141 0.000 1.018 279 I HN -0.171 nan 8.210 nan 0.000 0.439 280 F N 4.195 124.278 119.950 0.222 0.000 2.427 280 F HA 0.578 5.105 4.527 -0.001 0.000 0.346 280 F C -2.079 173.897 175.800 0.293 0.000 1.120 280 F CA -2.695 55.479 58.000 0.290 0.000 1.033 280 F CB 1.021 40.185 39.000 0.274 0.000 1.126 280 F HN -0.113 nan 8.300 nan 0.000 0.462 281 P HA 0.213 nan 4.420 nan 0.000 0.276 281 P C -0.815 176.704 177.300 0.365 0.000 1.252 281 P CA -0.265 63.032 63.100 0.327 0.000 0.802 281 P CB 1.663 33.501 31.700 0.230 0.000 1.035 282 V N -0.791 119.259 119.914 0.227 0.000 2.644 282 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 282 V C 0.110 176.291 176.094 0.144 0.000 1.053 282 V CA -0.721 61.693 62.300 0.189 0.000 0.987 282 V CB 0.664 32.540 31.823 0.088 0.000 1.006 282 V HN 0.294 nan 8.190 nan 0.000 0.472 283 I N 2.819 123.463 120.570 0.125 0.000 2.433 283 I HA 0.458 4.627 4.170 -0.000 0.000 0.292 283 I C 0.015 176.119 176.117 -0.021 0.000 1.001 283 I CA -0.226 61.094 61.300 0.033 0.000 1.119 283 I CB 1.975 39.970 38.000 -0.008 0.000 1.289 283 I HN 0.664 nan 8.210 nan 0.000 0.438 284 S N 7.015 122.676 115.700 -0.065 0.000 2.456 284 S HA 0.581 5.051 4.470 -0.000 0.000 0.316 284 S C -0.371 174.107 174.600 -0.203 0.000 1.089 284 S CA -0.584 57.514 58.200 -0.169 0.000 1.101 284 S CB 0.932 64.030 63.200 -0.171 0.000 0.995 284 S HN 0.349 nan 8.310 nan 0.000 0.468 285 L N 4.108 125.136 121.223 -0.324 0.000 2.280 285 L HA 0.463 4.803 4.340 -0.000 0.000 0.287 285 L C -1.228 175.349 176.870 -0.489 0.000 1.023 285 L CA -0.736 53.904 54.840 -0.334 0.000 0.819 285 L CB 0.562 42.422 42.059 -0.332 0.000 1.212 285 L HN 0.604 nan 8.230 nan 0.000 0.420 286 Y N 4.117 124.122 120.300 -0.491 0.000 2.341 286 Y HA 0.453 5.003 4.550 -0.000 0.000 0.340 286 Y C 0.221 175.788 175.900 -0.555 0.000 0.997 286 Y CA -0.288 57.476 58.100 -0.561 0.000 1.149 286 Y CB 1.006 39.175 38.460 -0.485 0.000 1.171 286 Y HN 0.379 nan 8.280 nan 0.000 0.494 287 L N 3.881 124.675 121.223 -0.715 0.000 2.334 287 L HA 0.493 4.833 4.340 -0.000 0.000 0.270 287 L C 0.181 176.781 176.870 -0.450 0.000 1.018 287 L CA -1.120 53.331 54.840 -0.649 0.000 0.811 287 L CB 1.479 42.975 42.059 -0.938 0.000 1.271 287 L HN 0.591 nan 8.230 nan 0.000 0.443 288 M N 0.979 120.473 119.600 -0.176 0.000 2.239 288 M HA 0.213 4.693 4.480 -0.000 0.000 0.348 288 M C 0.515 176.884 176.300 0.116 0.000 1.239 288 M CA 0.239 55.533 55.300 -0.009 0.000 1.114 288 M CB 0.860 33.487 32.600 0.045 0.000 1.641 288 M HN 0.726 nan 8.290 nan 0.000 0.453 289 G N 3.089 112.011 108.800 0.203 0.000 2.509 289 G HA2 0.217 4.176 3.960 -0.000 0.000 0.269 289 G HA3 0.217 4.176 3.960 -0.000 0.000 0.269 289 G C -0.046 175.015 174.900 0.267 0.000 1.416 289 G CA -0.336 44.978 45.100 0.357 0.000 1.052 289 G HN 0.886 nan 8.290 nan 0.000 0.542 290 E N -1.840 118.512 120.200 0.253 0.000 2.460 290 E HA 0.205 4.555 4.350 -0.000 0.000 0.200 290 E C 0.067 176.738 176.600 0.118 0.000 1.011 290 E CA -0.105 56.392 56.400 0.161 0.000 0.912 290 E CB 1.005 30.779 29.700 0.124 0.000 0.953 290 E HN 0.049 nan 8.360 nan 0.000 0.494 291 V N 0.986 120.983 119.914 0.139 0.000 2.919 291 V HA 0.158 4.277 4.120 -0.000 0.000 0.316 291 V C 0.243 176.398 176.094 0.102 0.000 1.077 291 V CA -0.817 61.546 62.300 0.106 0.000 0.977 291 V CB 2.124 34.012 31.823 0.109 0.000 1.039 291 V HN 0.009 nan 8.190 nan 0.000 0.441 292 T N 3.904 118.504 114.554 0.077 0.000 2.908 292 T HA 0.030 4.379 4.350 -0.000 0.000 0.301 292 T C 0.805 175.550 174.700 0.075 0.000 1.019 292 T CA 0.501 62.641 62.100 0.067 0.000 1.152 292 T CB -0.328 68.570 68.868 0.050 0.000 0.966 292 T HN 0.806 nan 8.240 nan 0.000 0.540 293 N N 1.214 119.957 118.700 0.071 0.000 2.681 293 N HA -0.159 4.581 4.740 -0.000 0.000 0.250 293 N C -0.130 175.440 175.510 0.100 0.000 1.133 293 N CA 0.894 53.987 53.050 0.072 0.000 0.732 293 N CB -0.507 38.015 38.487 0.059 0.000 1.107 293 N HN 0.724 nan 8.380 nan 0.000 0.559 294 Q N 0.775 120.651 119.800 0.127 0.000 2.342 294 Q HA 0.599 4.939 4.340 -0.000 0.000 0.267 294 Q C -0.349 175.775 176.000 0.207 0.000 1.038 294 Q CA -0.229 55.681 55.803 0.179 0.000 0.832 294 Q CB 2.015 30.874 28.738 0.203 0.000 1.323 294 Q HN 0.298 nan 8.270 nan 0.000 0.448 295 S N 2.308 118.154 115.700 0.244 0.000 2.840 295 S HA 0.896 5.366 4.470 -0.000 0.000 0.307 295 S C -0.855 173.917 174.600 0.286 0.000 1.180 295 S CA -0.600 57.718 58.200 0.196 0.000 0.846 295 S CB 1.380 64.620 63.200 0.066 0.000 1.233 295 S HN 0.662 nan 8.310 nan 0.000 0.548 296 F N -1.368 118.557 119.950 -0.042 0.000 2.741 296 F HA 0.855 5.382 4.527 -0.001 0.000 0.313 296 F C -1.042 174.434 175.800 -0.539 0.000 1.153 296 F CA -1.162 56.665 58.000 -0.288 0.000 0.931 296 F CB 1.144 39.830 39.000 -0.522 0.000 1.335 296 F HN 1.010 nan 8.300 nan 0.000 0.460 297 R N 2.248 122.414 120.500 -0.556 0.000 2.837 297 R HA 0.888 5.228 4.340 -0.000 0.000 0.271 297 R C -1.598 174.386 176.300 -0.528 0.000 0.993 297 R CA -0.967 54.593 56.100 -0.901 0.000 0.931 297 R CB 2.712 32.037 30.300 -1.624 0.000 1.206 297 R HN 1.075 nan 8.270 nan 0.000 0.474 298 I N -0.753 119.463 120.570 -0.590 0.000 2.498 298 I HA 0.501 4.670 4.170 -0.000 0.000 0.290 298 I C -1.224 174.721 176.117 -0.288 0.000 1.032 298 I CA -0.683 60.311 61.300 -0.510 0.000 1.073 298 I CB 2.711 40.155 38.000 -0.928 0.000 1.251 298 I HN 0.541 nan 8.210 nan 0.000 0.426 299 T N 7.060 121.593 114.554 -0.035 0.000 2.794 299 T HA 0.627 4.976 4.350 -0.000 0.000 0.280 299 T C -0.237 174.570 174.700 0.177 0.000 0.987 299 T CA -0.240 61.874 62.100 0.023 0.000 0.993 299 T CB 1.427 70.291 68.868 -0.006 0.000 0.939 299 T HN 0.389 nan 8.240 nan 0.000 0.449 300 I N 3.069 123.717 120.570 0.131 0.000 2.437 300 I HA 0.407 4.577 4.170 -0.000 0.000 0.298 300 I C -0.042 176.144 176.117 0.114 0.000 0.984 300 I CA -0.506 60.884 61.300 0.151 0.000 1.214 300 I CB 1.085 39.202 38.000 0.194 0.000 1.365 300 I HN 0.423 nan 8.210 nan 0.000 0.469 301 L N 6.978 128.202 121.223 0.001 0.000 2.375 301 L HA 0.448 4.788 4.340 -0.000 0.000 0.268 301 L C -1.287 175.448 176.870 -0.226 0.000 1.058 301 L CA -1.497 53.287 54.840 -0.092 0.000 0.803 301 L CB 1.030 42.950 42.059 -0.232 0.000 1.212 301 L HN 0.436 nan 8.230 nan 0.000 0.451 302 P HA -0.159 nan 4.420 nan 0.000 0.225 302 P C 0.797 177.714 177.300 -0.638 0.000 1.148 302 P CA 1.057 63.569 63.100 -0.980 0.000 0.779 302 P CB 0.337 31.877 31.700 -0.267 0.000 0.780 303 Q N -0.314 119.149 119.800 -0.562 0.000 2.364 303 Q HA -0.095 4.244 4.340 -0.000 0.000 0.207 303 Q C 2.338 178.160 176.000 -0.297 0.000 0.970 303 Q CA 1.308 56.733 55.803 -0.629 0.000 0.888 303 Q CB -0.435 27.798 28.738 -0.841 0.000 0.951 303 Q HN 0.445 nan 8.270 nan 0.000 0.469 304 Q N -1.337 118.307 119.800 -0.259 0.000 2.259 304 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 304 Q C 0.833 176.839 176.000 0.010 0.000 0.938 304 Q CA 0.807 56.554 55.803 -0.093 0.000 0.872 304 Q CB 0.300 29.016 28.738 -0.037 0.000 0.971 304 Q HN 0.655 nan 8.270 nan 0.000 0.494 305 Y N -1.924 118.373 120.300 -0.005 0.000 2.468 305 Y HA 0.406 4.955 4.550 -0.000 0.000 0.268 305 Y C 0.118 176.005 175.900 -0.021 0.000 1.177 305 Y CA -0.269 57.807 58.100 -0.039 0.000 1.265 305 Y CB 0.152 38.569 38.460 -0.073 0.000 1.103 305 Y HN -0.172 nan 8.280 nan 0.000 0.522 306 L N 3.056 124.250 121.223 -0.048 0.000 2.387 306 L HA 0.420 4.759 4.340 -0.000 0.000 0.259 306 L C -0.100 176.879 176.870 0.181 0.000 1.050 306 L CA -0.532 54.325 54.840 0.029 0.000 0.922 306 L CB 0.924 42.822 42.059 -0.268 0.000 1.280 306 L HN 0.140 nan 8.230 nan 0.000 0.449 307 R N 3.754 124.385 120.500 0.219 0.000 2.347 307 R HA 0.283 4.623 4.340 -0.000 0.000 0.304 307 R C -2.380 174.114 176.300 0.325 0.000 1.072 307 R CA -1.306 54.934 56.100 0.232 0.000 0.980 307 R CB 0.886 31.271 30.300 0.143 0.000 0.986 307 R HN 0.153 nan 8.270 nan 0.000 0.448 308 P HA -0.006 nan 4.420 nan 0.000 0.271 308 P C -0.973 176.345 177.300 0.029 0.000 1.220 308 P CA -0.174 63.003 63.100 0.128 0.000 0.768 308 P CB 1.074 32.852 31.700 0.129 0.000 0.848 317 D N 1.267 121.660 120.400 -0.012 0.000 2.388 317 D HA 0.293 4.933 4.640 -0.000 0.000 0.254 317 D C -1.066 175.217 176.300 -0.029 0.000 1.111 317 D CA -0.036 53.963 54.000 -0.002 0.000 0.993 317 D CB 0.573 41.365 40.800 -0.012 0.000 1.118 317 D HN 0.181 nan 8.370 nan 0.000 0.502 318 D N 0.244 120.643 120.400 -0.002 0.000 2.317 318 D HA 0.268 4.907 4.640 -0.000 0.000 0.234 318 D C -0.499 175.644 176.300 -0.263 0.000 1.112 318 D CA -0.101 53.831 54.000 -0.112 0.000 0.840 318 D CB 0.510 41.354 40.800 0.073 0.000 1.078 318 D HN 0.157 nan 8.370 nan 0.000 0.486 319 C N 3.046 122.050 119.300 -0.493 0.000 2.561 319 C HA 0.708 5.168 4.460 -0.000 0.000 0.319 319 C C -0.650 173.979 174.990 -0.602 0.000 1.198 319 C CA -0.892 57.892 59.018 -0.390 0.000 1.665 319 C CB 0.011 27.645 27.740 -0.177 0.000 2.258 319 C HN 0.530 nan 8.230 nan 0.000 0.493 320 Y N -0.434 119.922 120.300 0.094 0.000 2.615 320 Y HA 0.598 5.148 4.550 -0.000 0.000 0.341 320 Y C -0.098 175.921 175.900 0.198 0.000 1.089 320 Y CA -1.094 57.090 58.100 0.139 0.000 1.049 320 Y CB 1.183 39.736 38.460 0.156 0.000 1.296 320 Y HN 0.434 nan 8.280 nan 0.000 0.470 321 K N 1.041 121.650 120.400 0.349 0.000 2.270 321 K HA 0.372 4.691 4.320 -0.000 0.000 0.255 321 K C -1.495 175.227 176.600 0.205 0.000 0.936 321 K CA -0.927 55.507 56.287 0.245 0.000 0.809 321 K CB 1.837 34.423 32.500 0.143 0.000 1.131 321 K HN 0.556 nan 8.250 nan 0.000 0.427 322 F N 2.336 122.158 119.950 -0.214 0.000 2.519 322 F HA 0.096 4.623 4.527 -0.000 0.000 0.375 322 F C 0.602 176.384 175.800 -0.030 0.000 1.084 322 F CA -0.473 57.367 58.000 -0.267 0.000 1.147 322 F CB 0.342 38.899 39.000 -0.737 0.000 1.088 322 F HN 0.627 nan 8.300 nan 0.000 0.555 323 A N 7.799 130.503 122.820 -0.194 0.000 2.476 323 A HA 0.358 4.678 4.320 -0.000 0.000 0.263 323 A C 0.184 177.601 177.584 -0.278 0.000 1.342 323 A CA -0.130 51.819 52.037 -0.146 0.000 0.926 323 A CB -1.154 17.846 19.000 -0.001 0.000 1.019 323 A HN 0.617 nan 8.150 nan 0.000 0.515 324 I N 1.264 121.457 120.570 -0.629 0.000 2.439 324 I HA 0.312 4.481 4.170 -0.000 0.000 0.285 324 I C -0.270 175.819 176.117 -0.047 0.000 1.021 324 I CA -0.328 60.724 61.300 -0.414 0.000 1.091 324 I CB 2.178 39.791 38.000 -0.645 0.000 1.242 324 I HN 0.256 nan 8.210 nan 0.000 0.439 325 S N 4.587 120.278 115.700 -0.016 0.000 2.599 325 S HA 0.573 5.043 4.470 -0.000 0.000 0.287 325 S C -0.762 173.542 174.600 -0.492 0.000 1.105 325 S CA -1.034 57.044 58.200 -0.202 0.000 0.899 325 S CB 1.831 64.950 63.200 -0.136 0.000 1.100 325 S HN 0.621 nan 8.310 nan 0.000 0.482 326 Q N 0.644 119.810 119.800 -1.057 0.000 2.354 326 Q HA 0.661 5.001 4.340 -0.000 0.000 0.244 326 Q C -0.254 175.577 176.000 -0.282 0.000 0.969 326 Q CA -0.606 54.774 55.803 -0.706 0.000 0.885 326 Q CB 0.877 29.145 28.738 -0.783 0.000 1.241 326 Q HN 0.610 nan 8.270 nan 0.000 0.461 327 S N -0.071 115.547 115.700 -0.137 0.000 2.634 327 S HA 0.452 4.922 4.470 -0.000 0.000 0.296 327 S C -0.138 174.439 174.600 -0.038 0.000 1.104 327 S CA -0.167 57.987 58.200 -0.077 0.000 0.920 327 S CB 1.747 64.910 63.200 -0.060 0.000 1.111 327 S HN 0.764 nan 8.310 nan 0.000 0.493 328 S N 0.054 115.730 115.700 -0.040 0.000 2.666 328 S HA 0.156 4.625 4.470 -0.000 0.000 0.239 328 S C 0.605 175.160 174.600 -0.075 0.000 1.031 328 S CA 0.443 58.629 58.200 -0.023 0.000 1.015 328 S CB -0.076 63.118 63.200 -0.010 0.000 0.981 328 S HN 0.945 nan 8.310 nan 0.000 0.547 329 T N -1.400 113.095 114.554 -0.099 0.000 3.331 329 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 329 T C 0.839 175.424 174.700 -0.191 0.000 1.010 329 T CA 0.104 62.115 62.100 -0.147 0.000 0.928 329 T CB -0.040 68.756 68.868 -0.121 0.000 1.154 329 T HN 1.344 nan 8.240 nan 0.000 0.516 330 G N 1.098 109.790 108.800 -0.182 0.000 2.685 330 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.387 330 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.387 330 G C -0.451 174.401 174.900 -0.079 0.000 1.324 330 G CA -0.634 44.374 45.100 -0.152 0.000 0.878 330 G HN 0.530 nan 8.290 nan 0.000 0.527 331 T N 0.040 114.569 114.554 -0.041 0.000 2.869 331 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 331 T C 0.319 174.995 174.700 -0.041 0.000 0.987 331 T CA 0.081 62.174 62.100 -0.013 0.000 1.109 331 T CB 1.409 70.291 68.868 0.022 0.000 0.932 331 T HN 1.117 nan 8.240 nan 0.000 0.518 332 V N 4.977 124.875 119.914 -0.027 0.000 2.349 332 V HA 0.301 4.421 4.120 -0.000 0.000 0.284 332 V C 0.015 176.116 176.094 0.012 0.000 1.014 332 V CA -0.650 61.636 62.300 -0.022 0.000 0.826 332 V CB 1.259 33.064 31.823 -0.030 0.000 1.009 332 V HN 0.907 nan 8.190 nan 0.000 0.431 333 M N 4.604 124.226 119.600 0.037 0.000 2.557 333 M HA 0.330 4.810 4.480 -0.000 0.000 0.328 333 M C 1.071 177.426 176.300 0.090 0.000 1.423 333 M CA 0.212 55.550 55.300 0.064 0.000 1.418 333 M CB 0.350 33.001 32.600 0.085 0.000 1.381 333 M HN 0.804 nan 8.290 nan 0.000 0.467 334 G N 1.009 109.853 108.800 0.074 0.000 2.516 334 G HA2 0.426 4.386 3.960 -0.000 0.000 0.276 334 G HA3 0.426 4.386 3.960 -0.000 0.000 0.276 334 G C 0.904 175.867 174.900 0.104 0.000 1.390 334 G CA 0.055 45.204 45.100 0.082 0.000 1.050 334 G HN 0.727 nan 8.290 nan 0.000 0.519 335 A N -1.051 121.835 122.820 0.110 0.000 1.883 335 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 335 A C 2.620 180.281 177.584 0.129 0.000 1.186 335 A CA 3.164 55.282 52.037 0.133 0.000 0.624 335 A CB -1.098 18.037 19.000 0.226 0.000 0.822 335 A HN 1.389 nan 8.150 nan 0.000 0.444 336 V N -2.489 117.496 119.914 0.119 0.000 2.720 336 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 336 V C 1.972 178.130 176.094 0.107 0.000 1.082 336 V CA 1.751 64.113 62.300 0.103 0.000 1.101 336 V CB -0.785 31.093 31.823 0.091 0.000 0.693 336 V HN 0.410 nan 8.190 nan 0.000 0.479 337 I N -0.344 120.305 120.570 0.132 0.000 2.703 337 I HA 0.058 4.228 4.170 -0.000 0.000 0.259 337 I C 2.477 178.769 176.117 0.292 0.000 1.151 337 I CA 1.477 62.892 61.300 0.190 0.000 1.470 337 I CB -0.624 37.468 38.000 0.152 0.000 1.112 337 I HN 0.338 nan 8.210 nan 0.000 0.437 338 M N -0.103 119.630 119.600 0.221 0.000 2.349 338 M HA -0.122 4.358 4.480 -0.000 0.000 0.266 338 M C 1.938 178.319 176.300 0.135 0.000 1.076 338 M CA 1.122 56.559 55.300 0.229 0.000 1.126 338 M CB -0.278 32.391 32.600 0.114 0.000 1.392 338 M HN 0.153 nan 8.290 nan 0.000 0.440 339 E N 0.386 120.613 120.200 0.046 0.000 2.097 339 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 339 E C 2.075 178.587 176.600 -0.146 0.000 1.000 339 E CA 1.287 57.668 56.400 -0.032 0.000 0.804 339 E CB -0.349 29.354 29.700 0.005 0.000 0.740 339 E HN 0.638 nan 8.360 nan 0.000 0.454 340 G N -0.031 108.560 108.800 -0.347 0.000 2.471 340 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.219 340 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.219 340 G C 0.340 174.718 174.900 -0.870 0.000 1.125 340 G CA 0.382 45.024 45.100 -0.763 0.000 0.775 340 G HN 0.023 nan 8.290 nan 0.000 0.548 341 F N -2.762 117.230 119.950 0.071 0.000 2.639 341 F HA 0.562 5.089 4.527 -0.000 0.000 0.339 341 F C -0.686 175.166 175.800 0.086 0.000 1.071 341 F CA -1.909 56.145 58.000 0.090 0.000 0.994 341 F CB 1.051 40.141 39.000 0.151 0.000 1.341 341 F HN -0.141 nan 8.300 nan 0.000 0.498 342 Y N 1.894 122.256 120.300 0.104 0.000 2.385 342 Y HA 0.619 5.168 4.550 -0.000 0.000 0.341 342 Y C -0.961 174.777 175.900 -0.270 0.000 0.965 342 Y CA -1.623 56.430 58.100 -0.079 0.000 1.180 342 Y CB 0.487 38.884 38.460 -0.105 0.000 1.139 342 Y HN 0.286 nan 8.280 nan 0.000 0.502 343 V N 7.252 126.848 119.914 -0.529 0.000 2.394 343 V HA 0.394 4.513 4.120 -0.000 0.000 0.282 343 V C -0.455 175.027 176.094 -1.021 0.000 1.031 343 V CA -0.937 60.822 62.300 -0.902 0.000 0.881 343 V CB 1.277 32.615 31.823 -0.808 0.000 0.982 343 V HN 0.514 nan 8.190 nan 0.000 0.451 344 V N 5.493 124.727 119.914 -1.133 0.000 2.370 344 V HA 0.425 4.545 4.120 -0.000 0.000 0.283 344 V C -0.492 175.043 176.094 -0.932 0.000 1.023 344 V CA -0.338 61.436 62.300 -0.878 0.000 0.857 344 V CB 1.228 32.652 31.823 -0.666 0.000 0.985 344 V HN 0.719 nan 8.190 nan 0.000 0.443 345 F N 2.658 122.124 119.950 -0.807 0.000 2.425 345 F HA 0.295 4.822 4.527 -0.001 0.000 0.354 345 F C 0.847 176.311 175.800 -0.559 0.000 1.162 345 F CA -0.507 56.953 58.000 -0.901 0.000 1.250 345 F CB 0.427 38.367 39.000 -1.766 0.000 1.579 345 F HN 0.431 nan 8.300 nan 0.000 0.589 346 D N 2.507 122.798 120.400 -0.180 0.000 2.545 346 D HA 0.073 4.713 4.640 -0.000 0.000 0.227 346 D C 1.476 177.810 176.300 0.057 0.000 1.150 346 D CA 0.188 54.166 54.000 -0.036 0.000 1.046 346 D CB 0.233 41.033 40.800 -0.001 0.000 1.098 346 D HN 0.426 nan 8.370 nan 0.000 0.502 347 R N 1.503 122.070 120.500 0.112 0.000 2.081 347 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 347 R C 2.159 178.585 176.300 0.209 0.000 1.131 347 R CA 1.494 57.752 56.100 0.262 0.000 0.960 347 R CB -0.087 30.405 30.300 0.320 0.000 0.856 347 R HN 0.349 nan 8.270 nan 0.000 0.436 348 A N 1.166 124.078 122.820 0.153 0.000 1.940 348 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 348 A C 1.670 179.294 177.584 0.068 0.000 1.176 348 A CA 1.372 53.475 52.037 0.111 0.000 0.631 348 A CB -0.214 18.839 19.000 0.089 0.000 0.814 348 A HN 0.236 nan 8.150 nan 0.000 0.446 349 R N -1.103 119.421 120.500 0.040 0.000 2.586 349 R HA 0.193 4.533 4.340 -0.000 0.000 0.336 349 R C -0.555 175.761 176.300 0.026 0.000 1.060 349 R CA -0.139 55.961 56.100 0.001 0.000 1.079 349 R CB 0.141 30.394 30.300 -0.077 0.000 1.317 349 R HN 0.429 nan 8.270 nan 0.000 0.568 350 K N 1.828 122.278 120.400 0.084 0.000 3.311 350 K HA -0.262 4.057 4.320 -0.000 0.000 0.270 350 K C -0.514 176.158 176.600 0.121 0.000 0.927 350 K CA 1.029 57.388 56.287 0.120 0.000 0.706 350 K CB -1.242 31.306 32.500 0.080 0.000 1.418 350 K HN 0.497 nan 8.250 nan 0.000 0.459 351 R N -0.806 119.763 120.500 0.115 0.000 2.764 351 R HA 0.705 5.044 4.340 -0.000 0.000 0.270 351 R C -1.003 175.361 176.300 0.107 0.000 1.014 351 R CA -1.169 55.015 56.100 0.140 0.000 0.904 351 R CB 1.364 31.738 30.300 0.123 0.000 1.236 351 R HN 0.063 nan 8.270 nan 0.000 0.466 352 I N 0.960 121.587 120.570 0.094 0.000 2.466 352 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 352 I C -0.061 175.895 176.117 -0.269 0.000 1.026 352 I CA -0.935 60.227 61.300 -0.230 0.000 1.078 352 I CB 2.314 40.106 38.000 -0.347 0.000 1.249 352 I HN 0.878 nan 8.210 nan 0.000 0.429 353 G N 5.275 113.641 108.800 -0.723 0.000 2.371 353 G HA2 0.712 4.672 3.960 -0.000 0.000 0.326 353 G HA3 0.712 4.672 3.960 -0.000 0.000 0.326 353 G C -1.294 173.013 174.900 -0.989 0.000 1.127 353 G CA -0.211 44.184 45.100 -1.175 0.000 0.885 353 G HN 0.323 nan 8.290 nan 0.000 0.477 354 F N 0.434 119.998 119.950 -0.643 0.000 2.532 354 F HA 0.770 5.297 4.527 -0.001 0.000 0.321 354 F C 0.428 176.024 175.800 -0.341 0.000 1.089 354 F CA -0.448 57.289 58.000 -0.438 0.000 0.926 354 F CB 2.808 41.598 39.000 -0.351 0.000 1.168 354 F HN 0.730 nan 8.300 nan 0.000 0.459 355 A N 1.123 123.951 122.820 0.012 0.000 2.604 355 A HA 0.656 4.975 4.320 -0.000 0.000 0.295 355 A C -1.610 176.177 177.584 0.337 0.000 1.067 355 A CA -0.806 51.294 52.037 0.105 0.000 0.683 355 A CB 0.914 19.828 19.000 -0.143 0.000 1.281 355 A HN 0.446 nan 8.150 nan 0.000 0.407 356 V N 1.978 122.086 119.914 0.323 0.000 2.509 356 V HA 0.227 4.347 4.120 -0.000 0.000 0.297 356 V C 1.271 177.468 176.094 0.171 0.000 1.014 356 V CA 0.728 63.173 62.300 0.241 0.000 1.127 356 V CB 0.856 32.716 31.823 0.061 0.000 0.925 356 V HN 0.963 nan 8.190 nan 0.000 0.480 357 S N 4.300 120.067 115.700 0.112 0.000 2.593 357 S HA 0.393 4.863 4.470 -0.000 0.000 0.269 357 S C 1.387 176.018 174.600 0.051 0.000 1.334 357 S CA -0.040 58.217 58.200 0.095 0.000 1.015 357 S CB 1.338 64.573 63.200 0.058 0.000 0.912 357 S HN 0.969 nan 8.310 nan 0.000 0.541 358 A N 1.751 124.584 122.820 0.023 0.000 2.067 358 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 358 A C 1.589 179.232 177.584 0.098 0.000 1.158 358 A CA 1.124 53.179 52.037 0.029 0.000 0.661 358 A CB -1.043 17.934 19.000 -0.038 0.000 0.801 358 A HN 1.204 nan 8.150 nan 0.000 0.452 359 c N 0.571 119.208 118.600 0.062 0.000 2.508 359 c HA 0.549 5.118 4.570 -0.000 0.000 0.330 359 c C 0.520 174.597 174.090 -0.020 0.000 1.435 359 c CA -1.020 55.322 56.329 0.021 0.000 1.712 359 c CB -2.091 40.416 42.510 -0.005 0.000 2.741 359 c HN 0.584 nan 8.230 nan 0.000 0.562 360 H N -0.266 118.709 119.070 -0.158 0.000 2.603 360 H HA 0.549 5.105 4.556 -0.000 0.000 0.370 360 H C -0.155 174.979 175.328 -0.324 0.000 1.225 360 H CA -0.346 55.544 56.048 -0.265 0.000 1.410 360 H CB 0.469 30.054 29.762 -0.296 0.000 1.495 360 H HN 0.281 nan 8.280 nan 0.000 0.602 361 V N 1.734 121.428 119.914 -0.365 0.000 3.051 361 V HA 0.054 4.174 4.120 -0.000 0.000 0.306 361 V C 0.796 176.541 176.094 -0.582 0.000 1.083 361 V CA -0.074 61.985 62.300 -0.401 0.000 1.104 361 V CB 0.362 31.988 31.823 -0.329 0.000 1.027 361 V HN 0.764 nan 8.190 nan 0.000 0.483 362 H N 1.946 120.804 119.070 -0.354 0.000 2.670 362 H HA 0.620 5.176 4.556 -0.000 0.000 0.361 362 H C -1.098 174.029 175.328 -0.335 0.000 1.169 362 H CA -0.517 55.345 56.048 -0.311 0.000 1.198 362 H CB 2.228 31.824 29.762 -0.278 0.000 1.700 362 H HN 0.802 nan 8.280 nan 0.000 0.542 363 D N 1.093 121.441 120.400 -0.087 0.000 2.711 363 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 363 D C 0.451 176.720 176.300 -0.052 0.000 1.257 363 D CA -0.324 53.562 54.000 -0.191 0.000 0.808 363 D CB 1.554 42.121 40.800 -0.388 0.000 1.780 363 D HN 0.678 nan 8.370 nan 0.000 0.537 364 E N 2.350 122.577 120.200 0.045 0.000 2.153 364 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 364 E C 1.429 178.128 176.600 0.165 0.000 0.988 364 E CA 1.126 57.593 56.400 0.111 0.000 0.811 364 E CB 0.028 29.811 29.700 0.138 0.000 0.746 364 E HN 0.544 nan 8.360 nan 0.000 0.466 365 F N -0.946 119.021 119.950 0.028 0.000 2.721 365 F HA 0.402 4.929 4.527 -0.000 0.000 0.301 365 F C 0.578 176.397 175.800 0.032 0.000 1.096 365 F CA -0.583 57.437 58.000 0.033 0.000 1.308 365 F CB 0.426 39.448 39.000 0.036 0.000 1.086 365 F HN -0.287 nan 8.300 nan 0.000 0.587 366 R N -0.090 120.129 120.500 -0.468 0.000 2.808 366 R HA 0.605 4.944 4.340 -0.000 0.000 0.272 366 R C -1.242 174.925 176.300 -0.223 0.000 0.995 366 R CA -0.792 55.081 56.100 -0.378 0.000 0.917 366 R CB 2.015 31.950 30.300 -0.609 0.000 1.217 366 R HN 0.075 nan 8.270 nan 0.000 0.471 367 T N -0.163 114.306 114.554 -0.140 0.000 2.993 367 T HA 0.588 4.938 4.350 -0.000 0.000 0.312 367 T C -1.127 173.530 174.700 -0.073 0.000 1.115 367 T CA -0.456 61.585 62.100 -0.098 0.000 1.027 367 T CB 1.437 70.281 68.868 -0.041 0.000 1.116 367 T HN 0.683 nan 8.240 nan 0.000 0.464 368 A N 2.597 125.366 122.820 -0.085 0.000 2.425 368 A HA 0.831 5.151 4.320 -0.000 0.000 0.242 368 A C 0.566 178.181 177.584 0.051 0.000 1.077 368 A CA 0.246 52.260 52.037 -0.039 0.000 0.781 368 A CB -0.194 18.693 19.000 -0.189 0.000 1.020 368 A HN 1.646 nan 8.150 nan 0.000 0.494 369 A N 0.368 123.306 122.820 0.196 0.000 2.581 369 A HA 0.683 5.003 4.320 -0.000 0.000 0.290 369 A C -1.375 176.319 177.584 0.183 0.000 1.119 369 A CA -0.376 51.770 52.037 0.183 0.000 0.670 369 A CB 1.069 20.103 19.000 0.057 0.000 1.280 369 A HN 1.486 nan 8.150 nan 0.000 0.425 370 V N 1.249 121.208 119.914 0.074 0.000 2.488 370 V HA 0.523 4.642 4.120 -0.000 0.000 0.293 370 V C -0.717 175.284 176.094 -0.156 0.000 1.027 370 V CA -0.289 61.964 62.300 -0.079 0.000 0.862 370 V CB 1.111 32.940 31.823 0.010 0.000 1.008 370 V HN 0.888 nan 8.190 nan 0.000 0.428 371 E N 2.390 122.415 120.200 -0.292 0.000 2.317 371 E HA 0.860 5.210 4.350 -0.000 0.000 0.270 371 E C -0.044 176.225 176.600 -0.551 0.000 0.885 371 E CA -0.707 55.517 56.400 -0.294 0.000 0.760 371 E CB 2.959 32.643 29.700 -0.027 0.000 1.227 371 E HN 0.855 nan 8.360 nan 0.000 0.434 372 G N 1.595 109.945 108.800 -0.750 0.000 2.559 372 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 372 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 372 G C -2.899 171.848 174.900 -0.255 0.000 1.424 372 G CA -0.823 43.742 45.100 -0.891 0.000 0.786 372 G HN 0.370 nan 8.290 nan 0.000 0.485 373 P HA 0.761 nan 4.420 nan 0.000 0.283 373 P C -1.551 175.645 177.300 -0.173 0.000 1.271 373 P CA -0.500 62.621 63.100 0.035 0.000 0.841 373 P CB 1.674 33.534 31.700 0.266 0.000 1.122 374 F N -1.206 118.773 119.950 0.048 0.000 2.603 374 F HA 0.336 4.863 4.527 -0.001 0.000 0.317 374 F C -0.068 175.772 175.800 0.067 0.000 1.066 374 F CA -0.859 57.179 58.000 0.063 0.000 0.941 374 F CB 2.044 41.112 39.000 0.112 0.000 1.291 374 F HN -0.044 nan 8.300 nan 0.000 0.472 375 V N 1.019 121.074 119.914 0.235 0.000 2.439 375 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 375 V C -0.484 175.680 176.094 0.117 0.000 1.039 375 V CA -0.425 61.959 62.300 0.140 0.000 0.913 375 V CB 1.160 33.035 31.823 0.086 0.000 0.983 375 V HN 0.792 nan 8.190 nan 0.000 0.460 376 T N 5.837 120.441 114.554 0.084 0.000 3.186 376 T HA 0.450 4.800 4.350 -0.000 0.000 0.320 376 T C -0.392 174.328 174.700 0.034 0.000 0.955 376 T CA -0.438 61.685 62.100 0.037 0.000 1.030 376 T CB 0.652 69.532 68.868 0.019 0.000 1.013 376 T HN 0.426 nan 8.240 nan 0.000 0.454 377 L N 2.481 123.717 121.223 0.021 0.000 2.452 377 L HA 0.325 4.665 4.340 -0.000 0.000 0.267 377 L C 0.357 177.236 176.870 0.016 0.000 1.188 377 L CA -0.418 54.434 54.840 0.020 0.000 0.821 377 L CB 0.176 42.243 42.059 0.014 0.000 1.102 377 L HN 0.692 nan 8.230 nan 0.000 0.470 378 D N 1.897 122.308 120.400 0.018 0.000 2.689 378 D HA -0.224 4.415 4.640 -0.000 0.000 0.237 378 D C 0.999 177.311 176.300 0.020 0.000 1.148 378 D CA 0.742 54.752 54.000 0.016 0.000 0.656 378 D CB -0.515 40.290 40.800 0.008 0.000 1.050 378 D HN 0.632 nan 8.370 nan 0.000 0.426 379 M N -0.437 119.180 119.600 0.028 0.000 2.374 379 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 379 M C 2.005 178.327 176.300 0.037 0.000 1.067 379 M CA 1.259 56.579 55.300 0.033 0.000 1.103 379 M CB -0.075 32.549 32.600 0.040 0.000 1.402 379 M HN 0.107 nan 8.290 nan 0.000 0.444 380 E N 0.503 120.722 120.200 0.032 0.000 2.150 380 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 380 E C 1.153 177.769 176.600 0.027 0.000 0.985 380 E CA 0.828 57.246 56.400 0.030 0.000 0.814 380 E CB -0.181 29.533 29.700 0.022 0.000 0.752 380 E HN 0.526 nan 8.360 nan 0.000 0.466 381 D N 0.497 120.910 120.400 0.021 0.000 2.350 381 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 381 D C 1.644 177.963 176.300 0.031 0.000 0.968 381 D CA 0.568 54.578 54.000 0.017 0.000 0.894 381 D CB -0.160 40.645 40.800 0.007 0.000 0.909 381 D HN 0.264 nan 8.370 nan 0.000 0.520 382 C N 0.871 120.198 119.300 0.044 0.000 2.448 382 C HA 0.141 4.601 4.460 -0.000 0.000 0.280 382 C C 1.715 176.764 174.990 0.098 0.000 1.398 382 C CA -0.304 58.754 59.018 0.066 0.000 1.774 382 C CB -1.036 26.751 27.740 0.078 0.000 1.888 382 C HN 0.218 nan 8.230 nan 0.000 0.519 383 G N -0.763 108.091 108.800 0.089 0.000 2.406 383 G HA2 0.355 4.315 3.960 -0.000 0.000 0.251 383 G HA3 0.355 4.315 3.960 -0.000 0.000 0.251 383 G C -0.762 174.220 174.900 0.137 0.000 1.271 383 G CA 0.039 45.209 45.100 0.116 0.000 0.859 383 G HN 0.435 nan 8.290 nan 0.000 0.540 384 Y N 2.628 122.969 120.300 0.068 0.000 2.307 384 Y HA 0.435 4.985 4.550 -0.000 0.000 0.324 384 Y C 0.282 176.214 175.900 0.053 0.000 1.238 384 Y CA -0.563 57.581 58.100 0.074 0.000 1.280 384 Y CB 0.968 39.485 38.460 0.095 0.000 1.248 384 Y HN 0.523 nan 8.280 nan 0.000 0.508 385 N N 0.000 118.063 118.700 -1.062 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.615 53.050 -0.726 0.000 0.885 385 N CB 0.000 38.284 38.487 -0.339 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667