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 2hiz_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 0.000 176.673 176.600 0.122 0.000 1.382 1 E CA 0.000 56.460 56.400 0.100 0.000 0.976 1 E CB 0.000 29.760 29.700 0.100 0.000 0.812 2 M N 0.693 120.352 119.600 0.098 0.000 2.382 2 M HA 0.116 4.595 4.480 -0.000 0.000 0.247 2 M C 1.837 178.176 176.300 0.065 0.000 1.104 2 M CA 0.181 55.541 55.300 0.100 0.000 1.030 2 M CB 0.614 33.278 32.600 0.107 0.000 1.424 2 M HN -0.094 nan 8.290 nan 0.000 0.486 3 V N 0.887 120.829 119.914 0.046 0.000 2.231 3 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 3 V C 0.822 176.916 176.094 0.001 0.000 1.058 3 V CA 1.904 64.218 62.300 0.023 0.000 1.022 3 V CB -0.365 31.464 31.823 0.010 0.000 0.640 3 V HN 0.415 nan 8.190 nan 0.000 0.445 4 D N 0.191 120.574 120.400 -0.027 0.000 3.058 4 D HA 0.094 4.733 4.640 -0.000 0.000 0.272 4 D C 0.759 177.013 176.300 -0.076 0.000 1.350 4 D CA -0.065 53.907 54.000 -0.047 0.000 0.863 4 D CB -0.284 40.481 40.800 -0.059 0.000 1.064 4 D HN 0.630 nan 8.370 nan 0.000 0.488 5 N N 0.268 118.944 118.700 -0.040 0.000 2.434 5 N HA -0.046 4.694 4.740 -0.000 0.000 0.196 5 N C 0.008 175.509 175.510 -0.015 0.000 1.183 5 N CA 0.143 53.177 53.050 -0.028 0.000 0.849 5 N CB 0.204 38.731 38.487 0.068 0.000 0.992 5 N HN 0.230 nan 8.380 nan 0.000 0.460 6 L N -0.444 120.755 121.223 -0.041 0.000 2.341 6 L HA 0.598 4.938 4.340 -0.000 0.000 0.267 6 L C 0.329 177.098 176.870 -0.167 0.000 1.009 6 L CA -0.904 53.891 54.840 -0.074 0.000 0.819 6 L CB 2.125 44.189 42.059 0.008 0.000 1.323 6 L HN -0.034 nan 8.230 nan 0.000 0.425 7 R N 0.191 120.412 120.500 -0.464 0.000 3.015 7 R HA 0.869 5.208 4.340 -0.000 0.000 0.258 7 R C -0.919 174.890 176.300 -0.819 0.000 1.172 7 R CA -0.844 54.913 56.100 -0.572 0.000 1.003 7 R CB 2.060 32.037 30.300 -0.539 0.000 1.326 7 R HN 0.822 nan 8.270 nan 0.000 0.449 8 G N 0.797 109.304 108.800 -0.488 0.000 2.334 8 G HA2 0.026 3.986 3.960 -0.000 0.000 0.566 8 G HA3 0.026 3.986 3.960 -0.000 0.000 0.566 8 G C -1.793 173.024 174.900 -0.138 0.000 1.413 8 G CA -0.916 44.086 45.100 -0.163 0.000 0.993 8 G HN 0.588 nan 8.290 nan 0.000 0.642 9 K N -0.649 119.722 120.400 -0.048 0.000 2.156 9 K HA 0.779 5.099 4.320 -0.000 0.000 0.250 9 K C 0.568 177.106 176.600 -0.104 0.000 0.955 9 K CA -0.148 56.100 56.287 -0.065 0.000 0.855 9 K CB 1.915 34.407 32.500 -0.013 0.000 1.101 9 K HN 1.076 nan 8.250 nan 0.000 0.434 10 S N 0.862 116.516 115.700 -0.077 0.000 2.784 10 S HA 0.113 4.582 4.470 -0.000 0.000 0.322 10 S C 1.181 175.767 174.600 -0.024 0.000 1.234 10 S CA 1.326 59.497 58.200 -0.048 0.000 1.064 10 S CB -1.209 61.989 63.200 -0.003 0.000 0.787 10 S HN 1.147 nan 8.310 nan 0.000 0.506 11 G N 4.126 112.917 108.800 -0.014 0.000 2.162 11 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 11 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 11 G C 0.328 175.242 174.900 0.024 0.000 0.976 11 G CA 0.670 45.780 45.100 0.016 0.000 0.655 11 G HN 0.788 nan 8.290 nan 0.000 0.533 12 Q N -0.390 119.419 119.800 0.014 0.000 2.112 12 Q HA 0.467 4.807 4.340 -0.000 0.000 0.222 12 Q C 0.965 177.067 176.000 0.170 0.000 0.798 12 Q CA 0.076 55.941 55.803 0.104 0.000 1.060 12 Q CB 1.544 30.340 28.738 0.097 0.000 1.184 12 Q HN 1.713 nan 8.270 nan 0.000 0.475 13 G N 1.079 109.881 108.800 0.002 0.000 2.733 13 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.686 13 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.686 13 G C -1.211 173.593 174.900 -0.160 0.000 1.373 13 G CA -0.908 44.169 45.100 -0.038 0.000 0.838 13 G HN 0.168 nan 8.290 nan 0.000 0.588 14 Y N 0.180 120.454 120.300 -0.043 0.000 2.342 14 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 14 Y C 0.728 176.591 175.900 -0.062 0.000 1.067 14 Y CA -0.203 57.842 58.100 -0.090 0.000 1.128 14 Y CB 1.630 40.031 38.460 -0.099 0.000 1.200 14 Y HN 0.812 nan 8.280 nan 0.000 0.464 15 Y N 0.009 120.357 120.300 0.081 0.000 2.576 15 Y HA 0.823 5.373 4.550 -0.001 0.000 0.346 15 Y C -1.624 174.308 175.900 0.054 0.000 1.018 15 Y CA -1.795 56.324 58.100 0.032 0.000 1.050 15 Y CB 0.902 39.411 38.460 0.082 0.000 1.280 15 Y HN 0.455 nan 8.280 nan 0.000 0.474 16 V N 1.594 121.657 119.914 0.249 0.000 2.864 16 V HA 0.459 4.579 4.120 -0.000 0.000 0.314 16 V C -0.791 175.429 176.094 0.211 0.000 1.073 16 V CA -0.835 61.567 62.300 0.169 0.000 0.956 16 V CB 1.838 33.691 31.823 0.049 0.000 1.023 16 V HN 1.000 nan 8.190 nan 0.000 0.435 17 E N 4.893 125.214 120.200 0.201 0.000 2.331 17 E HA 0.566 4.915 4.350 -0.000 0.000 0.272 17 E C -0.762 175.883 176.600 0.076 0.000 1.036 17 E CA -0.297 56.201 56.400 0.163 0.000 0.864 17 E CB 1.052 30.872 29.700 0.200 0.000 1.035 17 E HN 0.709 nan 8.360 nan 0.000 0.408 18 M N 1.701 121.329 119.600 0.047 0.000 2.716 18 M HA 0.368 4.848 4.480 -0.000 0.000 0.278 18 M C -0.999 175.313 176.300 0.020 0.000 1.281 18 M CA -0.948 54.357 55.300 0.007 0.000 0.814 18 M CB 2.569 35.150 32.600 -0.032 0.000 1.719 18 M HN 0.632 nan 8.290 nan 0.000 0.457 19 T N -0.337 114.228 114.554 0.019 0.000 2.916 19 T HA 0.801 5.151 4.350 -0.000 0.000 0.298 19 T C -0.942 173.778 174.700 0.033 0.000 1.031 19 T CA -0.760 61.354 62.100 0.024 0.000 0.993 19 T CB 1.469 70.350 68.868 0.022 0.000 1.045 19 T HN 0.737 nan 8.240 nan 0.000 0.454 20 V N -0.690 119.231 119.914 0.011 0.000 2.962 20 V HA 1.031 5.151 4.120 -0.000 0.000 0.313 20 V C 0.544 176.688 176.094 0.083 0.000 1.099 20 V CA 0.045 62.340 62.300 -0.008 0.000 0.971 20 V CB 0.752 32.412 31.823 -0.271 0.000 1.028 20 V HN 2.151 nan 8.190 nan 0.000 0.430 21 G N 2.297 111.186 108.800 0.148 0.000 2.757 21 G HA2 0.202 4.162 3.960 -0.000 0.000 0.638 21 G HA3 0.202 4.162 3.960 -0.000 0.000 0.638 21 G C -0.431 174.544 174.900 0.125 0.000 1.344 21 G CA -0.291 44.929 45.100 0.201 0.000 0.855 21 G HN 1.878 nan 8.290 nan 0.000 0.537 22 S N 2.183 117.950 115.700 0.111 0.000 2.750 22 S HA 0.656 5.125 4.470 -0.000 0.000 0.276 22 S C -2.321 172.315 174.600 0.059 0.000 1.165 22 S CA -0.420 57.825 58.200 0.074 0.000 1.047 22 S CB 2.884 66.127 63.200 0.071 0.000 1.056 22 S HN 0.821 nan 8.310 nan 0.000 0.481 23 P HA 0.267 nan 4.420 nan 0.000 0.272 23 P C -2.909 174.419 177.300 0.047 0.000 1.230 23 P CA -1.516 61.606 63.100 0.038 0.000 0.788 23 P CB -0.753 30.961 31.700 0.023 0.000 0.949 24 P HA 0.059 nan 4.420 nan 0.000 0.261 24 P C -0.419 176.902 177.300 0.036 0.000 1.183 24 P CA 0.820 63.944 63.100 0.041 0.000 0.761 24 P CB 0.083 31.799 31.700 0.027 0.000 0.785 25 Q N 1.663 121.492 119.800 0.047 0.000 2.307 25 Q HA 0.337 4.676 4.340 -0.000 0.000 0.262 25 Q C -0.304 175.710 176.000 0.023 0.000 0.961 25 Q CA -0.485 55.340 55.803 0.037 0.000 0.882 25 Q CB 1.296 30.081 28.738 0.078 0.000 1.264 25 Q HN 0.335 nan 8.270 nan 0.000 0.446 26 T N 3.815 118.377 114.554 0.012 0.000 2.806 26 T HA 0.549 4.899 4.350 -0.000 0.000 0.290 26 T C -0.353 174.356 174.700 0.015 0.000 0.966 26 T CA -0.255 61.855 62.100 0.016 0.000 1.060 26 T CB 0.250 69.128 68.868 0.016 0.000 0.927 26 T HN 0.327 nan 8.240 nan 0.000 0.485 27 L N 3.246 124.485 121.223 0.026 0.000 2.445 27 L HA 0.474 4.814 4.340 -0.000 0.000 0.262 27 L C -0.475 176.426 176.870 0.051 0.000 0.974 27 L CA -1.247 53.612 54.840 0.030 0.000 0.822 27 L CB 2.078 44.155 42.059 0.031 0.000 1.339 27 L HN 0.412 nan 8.230 nan 0.000 0.409 28 N N 3.102 121.819 118.700 0.028 0.000 2.422 28 N HA 0.429 5.169 4.740 -0.000 0.000 0.264 28 N C -0.893 174.683 175.510 0.110 0.000 1.063 28 N CA -0.234 52.828 53.050 0.020 0.000 0.959 28 N CB 1.381 39.692 38.487 -0.293 0.000 1.087 28 N HN 0.321 nan 8.380 nan 0.000 0.483 29 I N 2.692 123.349 120.570 0.145 0.000 2.378 29 I HA 0.263 4.432 4.170 -0.000 0.000 0.291 29 I C 0.454 176.599 176.117 0.046 0.000 0.992 29 I CA -0.827 60.542 61.300 0.116 0.000 1.154 29 I CB 1.435 39.484 38.000 0.082 0.000 1.315 29 I HN 0.289 nan 8.210 nan 0.000 0.448 30 L N 7.250 128.381 121.223 -0.152 0.000 2.462 30 L HA 0.177 4.516 4.340 -0.000 0.000 0.272 30 L C -0.256 176.482 176.870 -0.220 0.000 1.166 30 L CA -0.113 54.506 54.840 -0.368 0.000 0.880 30 L CB 0.759 42.178 42.059 -1.068 0.000 1.142 30 L HN 0.319 nan 8.230 nan 0.000 0.473 31 V N 4.849 124.679 119.914 -0.141 0.000 2.405 31 V HA 0.144 4.264 4.120 -0.000 0.000 0.264 31 V C -0.223 175.788 176.094 -0.139 0.000 1.048 31 V CA -0.135 62.078 62.300 -0.145 0.000 0.966 31 V CB 0.822 32.576 31.823 -0.114 0.000 1.015 31 V HN 0.735 nan 8.190 nan 0.000 0.477 32 D N 3.364 123.681 120.400 -0.139 0.000 2.440 32 D HA 0.220 4.860 4.640 -0.000 0.000 0.252 32 D C 1.084 177.356 176.300 -0.048 0.000 1.180 32 D CA -0.189 53.761 54.000 -0.085 0.000 0.894 32 D CB 1.736 42.492 40.800 -0.074 0.000 1.111 32 D HN 0.559 nan 8.370 nan 0.000 0.544 33 T N -0.009 114.521 114.554 -0.040 0.000 3.160 33 T HA 0.140 4.490 4.350 -0.000 0.000 0.257 33 T C 1.552 176.361 174.700 0.182 0.000 1.147 33 T CA 0.353 62.477 62.100 0.040 0.000 1.064 33 T CB 0.123 68.903 68.868 -0.147 0.000 0.949 33 T HN 0.300 nan 8.240 nan 0.000 0.526 34 G N 0.800 109.675 108.800 0.125 0.000 3.042 34 G HA2 0.405 4.365 3.960 -0.000 0.000 0.212 34 G HA3 0.405 4.365 3.960 -0.000 0.000 0.212 34 G C 0.439 175.461 174.900 0.204 0.000 1.166 34 G CA 0.202 45.408 45.100 0.177 0.000 0.767 34 G HN 0.781 nan 8.290 nan 0.000 0.546 35 S N -1.916 113.868 115.700 0.141 0.000 2.776 35 S HA 0.631 5.101 4.470 -0.000 0.000 0.292 35 S C -0.085 174.555 174.600 0.067 0.000 1.187 35 S CA -0.186 58.096 58.200 0.137 0.000 0.834 35 S CB 1.717 65.109 63.200 0.320 0.000 1.199 35 S HN -0.034 nan 8.310 nan 0.000 0.514 36 S N 0.097 115.838 115.700 0.069 0.000 2.937 36 S HA 0.397 4.867 4.470 -0.000 0.000 0.252 36 S C -0.683 173.998 174.600 0.136 0.000 1.022 36 S CA -0.484 57.752 58.200 0.061 0.000 1.079 36 S CB -0.455 62.747 63.200 0.003 0.000 1.035 36 S HN 0.650 nan 8.310 nan 0.000 0.594 37 N N 1.364 120.191 118.700 0.210 0.000 2.362 37 N HA 0.453 5.193 4.740 -0.000 0.000 0.298 37 N C -1.371 174.356 175.510 0.362 0.000 1.048 37 N CA -0.463 52.761 53.050 0.290 0.000 0.858 37 N CB 1.167 39.873 38.487 0.365 0.000 1.218 37 N HN 0.315 nan 8.380 nan 0.000 0.488 38 F N 2.243 122.273 119.950 0.134 0.000 2.404 38 F HA 0.645 5.172 4.527 -0.001 0.000 0.358 38 F C -0.412 175.387 175.800 -0.002 0.000 1.120 38 F CA -0.694 57.334 58.000 0.047 0.000 1.144 38 F CB 0.369 39.394 39.000 0.041 0.000 1.133 38 F HN 0.447 nan 8.300 nan 0.000 0.495 39 A N 6.282 129.049 122.820 -0.088 0.000 2.455 39 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 39 A C -1.452 175.890 177.584 -0.403 0.000 1.040 39 A CA -0.545 51.204 52.037 -0.480 0.000 0.697 39 A CB 1.637 20.109 19.000 -0.881 0.000 1.265 39 A HN 0.885 nan 8.150 nan 0.000 0.407 40 V N -0.262 119.400 119.914 -0.421 0.000 2.876 40 V HA 0.940 5.059 4.120 -0.000 0.000 0.312 40 V C 0.420 176.507 176.094 -0.012 0.000 1.085 40 V CA -0.270 61.935 62.300 -0.159 0.000 0.945 40 V CB 1.322 32.990 31.823 -0.259 0.000 1.017 40 V HN 1.677 nan 8.190 nan 0.000 0.428 41 G N 1.527 110.421 108.800 0.156 0.000 2.340 41 G HA2 0.514 4.474 3.960 -0.000 0.000 0.245 41 G HA3 0.514 4.474 3.960 -0.000 0.000 0.245 41 G C 0.499 175.484 174.900 0.143 0.000 1.294 41 G CA 0.153 45.339 45.100 0.144 0.000 0.896 41 G HN 1.931 nan 8.290 nan 0.000 0.522 42 A N 1.342 124.202 122.820 0.066 0.000 2.609 42 A HA 0.786 5.106 4.320 -0.000 0.000 0.286 42 A C 0.663 178.147 177.584 -0.166 0.000 1.138 42 A CA 0.708 52.798 52.037 0.089 0.000 0.960 42 A CB 0.099 19.122 19.000 0.037 0.000 1.208 42 A HN 1.913 nan 8.150 nan 0.000 0.541 43 A N 0.480 122.991 122.820 -0.516 0.000 2.604 43 A HA 0.749 5.069 4.320 -0.000 0.000 0.295 43 A C -3.258 173.756 177.584 -0.951 0.000 1.067 43 A CA -1.343 50.205 52.037 -0.815 0.000 0.683 43 A CB 0.864 19.676 19.000 -0.314 0.000 1.281 43 A HN 0.040 nan 8.150 nan 0.000 0.407 44 P HA 0.199 nan 4.420 nan 0.000 0.267 44 P C -0.937 176.257 177.300 -0.177 0.000 1.200 44 P CA 0.680 63.541 63.100 -0.399 0.000 0.772 44 P CB 0.422 32.006 31.700 -0.194 0.000 0.855 45 H N 2.396 121.333 119.070 -0.221 0.000 3.079 45 H HA 0.223 4.779 4.556 -0.000 0.000 0.356 45 H C -2.176 173.029 175.328 -0.204 0.000 1.221 45 H CA -1.521 54.402 56.048 -0.208 0.000 1.185 45 H CB 1.908 31.536 29.762 -0.223 0.000 1.882 45 H HN 0.054 nan 8.280 nan 0.000 0.543 46 P HA -0.066 nan 4.420 nan 0.000 0.217 46 P C 0.961 178.334 177.300 0.121 0.000 1.148 46 P CA 1.449 64.401 63.100 -0.246 0.000 0.828 46 P CB 0.008 31.379 31.700 -0.548 0.000 0.783 47 F N -2.277 117.782 119.950 0.182 0.000 2.749 47 F HA 0.169 4.696 4.527 -0.001 0.000 0.300 47 F C 0.961 176.492 175.800 -0.449 0.000 1.103 47 F CA -0.641 57.286 58.000 -0.123 0.000 1.342 47 F CB 0.237 39.194 39.000 -0.072 0.000 1.098 47 F HN -0.228 nan 8.300 nan 0.000 0.586 48 L N 1.212 122.310 121.223 -0.209 0.000 2.276 48 L HA 0.192 4.532 4.340 -0.000 0.000 0.286 48 L C 1.043 177.770 176.870 -0.238 0.000 1.061 48 L CA -0.453 54.168 54.840 -0.366 0.000 0.807 48 L CB 0.802 42.643 42.059 -0.363 0.000 1.177 48 L HN 0.137 nan 8.230 nan 0.000 0.429 49 H N 3.757 122.783 119.070 -0.073 0.000 2.551 49 H HA 0.140 4.695 4.556 -0.000 0.000 0.266 49 H C 0.145 175.451 175.328 -0.037 0.000 0.964 49 H CA 0.268 56.289 56.048 -0.045 0.000 1.180 49 H CB 0.355 30.076 29.762 -0.069 0.000 1.408 49 H HN 0.577 nan 8.280 nan 0.000 0.563 50 R N -0.851 119.681 120.500 0.053 0.000 2.741 50 R HA 0.375 4.714 4.340 -0.000 0.000 0.276 50 R C -1.918 174.399 176.300 0.028 0.000 1.028 50 R CA -1.018 55.067 56.100 -0.026 0.000 0.865 50 R CB 1.460 31.727 30.300 -0.055 0.000 1.268 50 R HN 0.006 nan 8.270 nan 0.000 0.475 51 Y N -2.181 118.099 120.300 -0.034 0.000 2.677 51 Y HA 0.465 5.014 4.550 -0.001 0.000 0.334 51 Y C -1.670 174.257 175.900 0.046 0.000 1.196 51 Y CA -1.697 56.390 58.100 -0.021 0.000 1.059 51 Y CB 0.506 38.930 38.460 -0.060 0.000 1.315 51 Y HN 0.622 nan 8.280 nan 0.000 0.455 52 Y N 3.048 123.401 120.300 0.087 0.000 2.650 52 Y HA 0.257 4.807 4.550 -0.001 0.000 0.331 52 Y C -0.355 175.563 175.900 0.029 0.000 1.165 52 Y CA -0.195 57.899 58.100 -0.010 0.000 1.473 52 Y CB 0.688 39.115 38.460 -0.056 0.000 1.224 52 Y HN 0.693 nan 8.280 nan 0.000 0.533 53 Q N 7.182 126.863 119.800 -0.198 0.000 2.560 53 Q HA 0.255 4.595 4.340 -0.000 0.000 0.238 53 Q C 0.944 176.626 176.000 -0.530 0.000 1.079 53 Q CA -0.428 55.198 55.803 -0.295 0.000 0.866 53 Q CB 0.840 29.469 28.738 -0.182 0.000 1.153 53 Q HN 0.797 nan 8.270 nan 0.000 0.530 54 R N 0.917 120.867 120.500 -0.916 0.000 2.139 54 R HA -0.262 4.078 4.340 -0.000 0.000 0.243 54 R C 2.077 178.140 176.300 -0.394 0.000 1.145 54 R CA 1.987 57.489 56.100 -0.997 0.000 0.976 54 R CB -0.014 29.401 30.300 -1.474 0.000 0.866 54 R HN 0.632 nan 8.270 nan 0.000 0.449 55 Q N 0.508 120.156 119.800 -0.253 0.000 2.224 55 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 55 Q C 1.450 177.412 176.000 -0.064 0.000 0.970 55 Q CA 1.182 56.925 55.803 -0.099 0.000 0.865 55 Q CB -0.080 28.613 28.738 -0.074 0.000 0.922 55 Q HN 0.409 nan 8.270 nan 0.000 0.445 56 L N 1.157 122.325 121.223 -0.091 0.000 2.611 56 L HA 0.234 4.573 4.340 -0.000 0.000 0.229 56 L C 0.623 177.489 176.870 -0.007 0.000 1.137 56 L CA -0.307 54.507 54.840 -0.044 0.000 0.901 56 L CB 0.600 42.627 42.059 -0.054 0.000 1.098 56 L HN 0.044 nan 8.230 nan 0.000 0.456 57 S N -0.578 115.126 115.700 0.007 0.000 2.530 57 S HA 0.178 4.647 4.470 -0.000 0.000 0.322 57 S C 1.154 175.817 174.600 0.104 0.000 1.085 57 S CA -0.537 57.711 58.200 0.080 0.000 1.096 57 S CB 1.307 64.598 63.200 0.152 0.000 0.988 57 S HN 0.296 nan 8.310 nan 0.000 0.466 58 S N 3.020 118.769 115.700 0.083 0.000 2.547 58 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 58 S C 1.288 175.941 174.600 0.088 0.000 0.980 58 S CA 1.036 59.281 58.200 0.074 0.000 0.941 58 S CB -0.688 62.543 63.200 0.051 0.000 0.763 58 S HN 0.865 nan 8.310 nan 0.000 0.532 59 T N -3.022 111.605 114.554 0.122 0.000 3.054 59 T HA 0.244 4.594 4.350 -0.000 0.000 0.255 59 T C 0.212 175.010 174.700 0.164 0.000 1.035 59 T CA -0.607 61.565 62.100 0.120 0.000 0.941 59 T CB -0.550 68.385 68.868 0.112 0.000 1.026 59 T HN 0.375 nan 8.240 nan 0.000 0.533 60 Y N 3.368 123.715 120.300 0.079 0.000 2.597 60 Y HA 0.401 4.951 4.550 -0.000 0.000 0.336 60 Y C 0.140 176.075 175.900 0.059 0.000 1.216 60 Y CA -0.956 57.198 58.100 0.090 0.000 1.463 60 Y CB 0.393 38.884 38.460 0.052 0.000 1.303 60 Y HN 0.078 nan 8.280 nan 0.000 0.576 61 R N 4.784 124.846 120.500 -0.729 0.000 2.510 61 R HA 0.151 4.491 4.340 -0.000 0.000 0.294 61 R C -1.538 174.285 176.300 -0.795 0.000 1.056 61 R CA -0.948 54.802 56.100 -0.584 0.000 0.918 61 R CB 1.258 31.421 30.300 -0.229 0.000 1.187 61 R HN 0.672 nan 8.270 nan 0.000 0.437 62 D N 3.457 123.466 120.400 -0.652 0.000 2.383 62 D HA 0.056 4.695 4.640 -0.000 0.000 0.252 62 D C 0.736 176.947 176.300 -0.147 0.000 1.166 62 D CA 0.084 53.879 54.000 -0.341 0.000 0.879 62 D CB 1.251 41.980 40.800 -0.119 0.000 1.164 62 D HN 0.503 nan 8.370 nan 0.000 0.462 63 L N 3.577 124.762 121.223 -0.063 0.000 2.591 63 L HA 0.117 4.457 4.340 -0.000 0.000 0.228 63 L C 0.864 177.737 176.870 0.005 0.000 1.133 63 L CA -0.009 54.819 54.840 -0.020 0.000 0.880 63 L CB -0.058 42.008 42.059 0.013 0.000 1.033 63 L HN 0.429 nan 8.230 nan 0.000 0.450 64 R N 0.689 121.197 120.500 0.015 0.000 3.251 64 R HA -0.154 4.186 4.340 -0.000 0.000 0.249 64 R C -0.787 175.535 176.300 0.036 0.000 0.949 64 R CA 0.480 56.596 56.100 0.028 0.000 0.645 64 R CB -1.494 28.814 30.300 0.014 0.000 1.065 64 R HN 0.121 nan 8.270 nan 0.000 0.452 65 K N -0.168 120.263 120.400 0.051 0.000 2.525 65 K HA 0.426 4.745 4.320 -0.000 0.000 0.254 65 K C 0.335 176.981 176.600 0.077 0.000 0.934 65 K CA -0.247 56.073 56.287 0.055 0.000 0.802 65 K CB 2.215 34.744 32.500 0.048 0.000 1.295 65 K HN 0.196 nan 8.250 nan 0.000 0.433 66 G N 0.016 108.864 108.800 0.080 0.000 2.557 66 G HA2 0.657 4.617 3.960 -0.000 0.000 0.292 66 G HA3 0.657 4.617 3.960 -0.000 0.000 0.292 66 G C -0.925 174.046 174.900 0.119 0.000 1.237 66 G CA -0.469 44.694 45.100 0.106 0.000 0.978 66 G HN 0.356 nan 8.290 nan 0.000 0.498 67 V N -0.394 119.617 119.914 0.160 0.000 3.108 67 V HA 0.683 4.802 4.120 -0.000 0.000 0.287 67 V C -2.112 174.078 176.094 0.159 0.000 1.436 67 V CA -0.938 61.438 62.300 0.127 0.000 1.001 67 V CB 1.603 33.511 31.823 0.141 0.000 1.141 67 V HN 1.444 nan 8.190 nan 0.000 0.443 68 Y N 3.568 123.751 120.300 -0.195 0.000 2.544 68 Y HA 0.906 5.456 4.550 -0.001 0.000 0.342 68 Y C -1.781 173.688 175.900 -0.718 0.000 1.062 68 Y CA -1.207 56.635 58.100 -0.430 0.000 1.023 68 Y CB 2.026 40.336 38.460 -0.251 0.000 1.308 68 Y HN 0.482 nan 8.280 nan 0.000 0.457 69 V N 4.523 123.736 119.914 -1.168 0.000 2.525 69 V HA 0.572 4.692 4.120 -0.000 0.000 0.299 69 V C -2.632 172.871 176.094 -0.985 0.000 1.034 69 V CA -1.690 59.869 62.300 -1.234 0.000 0.863 69 V CB 2.346 33.194 31.823 -1.625 0.000 0.999 69 V HN 0.718 nan 8.190 nan 0.000 0.423 70 P HA 0.479 nan 4.420 nan 0.000 0.304 70 P C -1.518 175.557 177.300 -0.375 0.000 1.366 70 P CA -0.425 62.468 63.100 -0.346 0.000 0.859 70 P CB 1.197 32.836 31.700 -0.102 0.000 0.961 71 Y N 0.465 120.733 120.300 -0.053 0.000 2.496 71 Y HA 0.221 4.771 4.550 -0.000 0.000 0.325 71 Y C 2.480 178.395 175.900 0.024 0.000 1.271 71 Y CA -0.187 57.919 58.100 0.010 0.000 1.368 71 Y CB -0.237 38.273 38.460 0.084 0.000 1.415 71 Y HN 0.236 nan 8.280 nan 0.000 0.527 72 T N -0.205 114.483 114.554 0.223 0.000 2.607 72 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 72 T C 0.394 175.159 174.700 0.109 0.000 1.049 72 T CA 1.764 63.931 62.100 0.111 0.000 1.162 72 T CB -0.240 68.671 68.868 0.072 0.000 0.863 72 T HN 0.393 nan 8.240 nan 0.000 0.424 73 Q N 0.263 120.149 119.800 0.143 0.000 2.320 73 Q HA 0.508 4.848 4.340 -0.000 0.000 0.268 73 Q C -0.475 175.648 176.000 0.205 0.000 1.023 73 Q CA 0.231 56.114 55.803 0.133 0.000 0.744 73 Q CB 1.151 29.946 28.738 0.095 0.000 1.246 73 Q HN 0.555 nan 8.270 nan 0.000 0.462 74 G N 2.725 111.654 108.800 0.216 0.000 2.617 74 G HA2 0.221 4.180 3.960 -0.000 0.000 0.686 74 G HA3 0.221 4.180 3.960 -0.000 0.000 0.686 74 G C -1.648 173.448 174.900 0.327 0.000 1.214 74 G CA -0.403 44.877 45.100 0.301 0.000 0.796 74 G HN 0.809 nan 8.290 nan 0.000 0.654 75 K N -0.377 120.169 120.400 0.243 0.000 2.587 75 K HA 0.760 5.080 4.320 -0.000 0.000 0.276 75 K C -0.526 176.058 176.600 -0.028 0.000 0.956 75 K CA -1.182 55.104 56.287 -0.001 0.000 0.857 75 K CB 1.734 34.194 32.500 -0.066 0.000 1.431 75 K HN 1.411 nan 8.250 nan 0.000 0.420 76 W N 0.530 121.714 121.300 -0.194 0.000 3.032 76 W HA 0.711 5.371 4.660 -0.000 0.000 0.341 76 W C -1.406 175.063 176.519 -0.084 0.000 1.202 76 W CA -0.697 56.516 57.345 -0.219 0.000 1.132 76 W CB 1.382 30.540 29.460 -0.503 0.000 1.465 76 W HN 0.797 nan 8.180 nan 0.000 0.576 77 E N 0.002 120.472 120.200 0.449 0.000 2.343 77 E HA 0.644 4.994 4.350 -0.000 0.000 0.270 77 E C -0.452 176.398 176.600 0.416 0.000 0.895 77 E CA -0.550 56.062 56.400 0.354 0.000 0.767 77 E CB 2.717 32.516 29.700 0.164 0.000 1.248 77 E HN 0.821 nan 8.360 nan 0.000 0.440 78 G N 1.521 110.528 108.800 0.345 0.000 2.348 78 G HA2 0.253 4.213 3.960 -0.000 0.000 0.296 78 G HA3 0.253 4.213 3.960 -0.000 0.000 0.296 78 G C -1.581 173.433 174.900 0.190 0.000 1.258 78 G CA -0.756 44.483 45.100 0.232 0.000 0.868 78 G HN 0.456 nan 8.290 nan 0.000 0.488 79 E N -0.095 120.194 120.200 0.149 0.000 2.210 79 E HA 0.535 4.885 4.350 -0.000 0.000 0.266 79 E C -0.661 176.038 176.600 0.164 0.000 0.883 79 E CA -0.637 55.852 56.400 0.147 0.000 0.761 79 E CB 2.720 32.501 29.700 0.135 0.000 1.156 79 E HN 0.354 nan 8.360 nan 0.000 0.412 80 L N 2.225 123.539 121.223 0.152 0.000 2.349 80 L HA 0.657 4.996 4.340 -0.000 0.000 0.275 80 L C 0.619 177.579 176.870 0.150 0.000 1.115 80 L CA -0.066 54.861 54.840 0.144 0.000 0.820 80 L CB 0.851 42.977 42.059 0.112 0.000 1.135 80 L HN 0.710 nan 8.230 nan 0.000 0.445 81 G N 0.601 109.505 108.800 0.173 0.000 2.576 81 G HA2 0.574 4.533 3.960 -0.000 0.000 0.290 81 G HA3 0.574 4.533 3.960 -0.000 0.000 0.290 81 G C -1.195 173.790 174.900 0.142 0.000 1.442 81 G CA -0.330 44.840 45.100 0.117 0.000 0.792 81 G HN 0.538 nan 8.290 nan 0.000 0.491 82 T N -1.675 112.911 114.554 0.053 0.000 2.908 82 T HA 0.797 5.147 4.350 -0.000 0.000 0.290 82 T C -1.198 173.605 174.700 0.172 0.000 1.034 82 T CA -0.649 61.519 62.100 0.114 0.000 1.010 82 T CB 2.860 71.764 68.868 0.061 0.000 1.068 82 T HN 0.604 nan 8.240 nan 0.000 0.481 83 D N -0.147 120.371 120.400 0.198 0.000 2.713 83 D HA 0.379 5.019 4.640 -0.000 0.000 0.306 83 D C -1.110 175.291 176.300 0.169 0.000 1.299 83 D CA -0.667 53.463 54.000 0.217 0.000 0.823 83 D CB 1.722 42.715 40.800 0.322 0.000 1.353 83 D HN 0.653 nan 8.370 nan 0.000 0.447 84 L N 0.903 122.215 121.223 0.150 0.000 2.326 84 L HA 0.608 4.947 4.340 -0.000 0.000 0.278 84 L C -0.177 176.778 176.870 0.141 0.000 1.092 84 L CA -0.746 54.170 54.840 0.126 0.000 0.810 84 L CB 1.424 43.540 42.059 0.095 0.000 1.153 84 L HN 0.097 nan 8.230 nan 0.000 0.439 85 V N 1.298 121.311 119.914 0.166 0.000 2.914 85 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 85 V C -0.347 175.832 176.094 0.142 0.000 1.084 85 V CA -0.509 61.899 62.300 0.180 0.000 0.963 85 V CB 2.167 34.172 31.823 0.303 0.000 1.025 85 V HN 0.830 nan 8.190 nan 0.000 0.432 86 S N 2.376 118.128 115.700 0.087 0.000 2.556 86 S HA 0.696 5.165 4.470 -0.000 0.000 0.271 86 S C -0.955 173.658 174.600 0.021 0.000 1.135 86 S CA -0.505 57.732 58.200 0.061 0.000 0.858 86 S CB 1.837 65.060 63.200 0.037 0.000 1.114 86 S HN 0.572 nan 8.310 nan 0.000 0.468 87 I N 3.049 123.632 120.570 0.022 0.000 2.428 87 I HA 0.272 4.441 4.170 -0.000 0.000 0.279 87 I C -1.997 174.108 176.117 -0.019 0.000 1.040 87 I CA -2.247 59.054 61.300 0.002 0.000 1.171 87 I CB 1.518 39.532 38.000 0.023 0.000 1.312 87 I HN 0.383 nan 8.210 nan 0.000 0.470 88 P HA -0.221 nan 4.420 nan 0.000 0.217 88 P C 0.659 177.780 177.300 -0.299 0.000 1.162 88 P CA 1.651 64.620 63.100 -0.219 0.000 0.901 88 P CB 0.031 31.543 31.700 -0.312 0.000 0.793 89 H N -1.139 117.953 119.070 0.036 0.000 2.638 89 H HA 0.487 5.043 4.556 -0.001 0.000 0.293 89 H C 1.056 176.408 175.328 0.040 0.000 1.316 89 H CA 0.218 56.288 56.048 0.037 0.000 1.099 89 H CB -0.421 29.363 29.762 0.037 0.000 1.515 89 H HN 0.148 nan 8.280 nan 0.000 0.505 90 G N 0.812 109.665 108.800 0.089 0.000 3.058 90 G HA2 0.298 4.258 3.960 -0.000 0.000 0.282 90 G HA3 0.298 4.258 3.960 -0.000 0.000 0.282 90 G C -2.608 172.333 174.900 0.068 0.000 1.248 90 G CA -1.204 43.947 45.100 0.086 0.000 0.822 90 G HN -0.057 nan 8.290 nan 0.000 0.579 91 P HA 0.052 nan 4.420 nan 0.000 0.270 91 P C -0.710 176.611 177.300 0.036 0.000 1.227 91 P CA -0.186 62.945 63.100 0.052 0.000 0.788 91 P CB 0.747 32.474 31.700 0.045 0.000 0.926 92 N N 0.984 119.703 118.700 0.031 0.000 3.298 92 N HA 0.237 4.977 4.740 -0.000 0.000 0.292 92 N C -0.650 174.872 175.510 0.020 0.000 1.271 92 N CA -0.301 52.762 53.050 0.022 0.000 1.184 92 N CB -0.967 37.532 38.487 0.021 0.000 1.452 92 N HN 0.240 nan 8.380 nan 0.000 0.534 93 V N -1.870 118.056 119.914 0.019 0.000 3.206 93 V HA 0.720 4.839 4.120 -0.000 0.000 0.305 93 V C -0.279 175.827 176.094 0.019 0.000 1.257 93 V CA -0.760 61.548 62.300 0.013 0.000 1.057 93 V CB 1.814 33.636 31.823 -0.002 0.000 1.075 93 V HN 0.078 nan 8.190 nan 0.000 0.443 94 T N 1.611 116.175 114.554 0.015 0.000 2.886 94 T HA 0.809 5.159 4.350 -0.000 0.000 0.292 94 T C -0.652 174.056 174.700 0.014 0.000 1.012 94 T CA -0.218 61.900 62.100 0.031 0.000 0.982 94 T CB 1.532 70.420 68.868 0.035 0.000 1.018 94 T HN 1.782 nan 8.240 nan 0.000 0.451 95 V N 0.991 120.924 119.914 0.031 0.000 3.007 95 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 95 V C -0.656 175.468 176.094 0.051 0.000 1.120 95 V CA -1.517 60.781 62.300 -0.004 0.000 0.980 95 V CB 2.079 33.837 31.823 -0.109 0.000 1.033 95 V HN 0.856 nan 8.190 nan 0.000 0.429 96 R N 2.165 122.684 120.500 0.031 0.000 2.202 96 R HA 0.796 5.136 4.340 -0.000 0.000 0.334 96 R C -0.240 176.109 176.300 0.081 0.000 1.036 96 R CA 0.366 56.508 56.100 0.070 0.000 0.878 96 R CB 0.782 31.110 30.300 0.046 0.000 1.067 96 R HN 1.276 nan 8.270 nan 0.000 0.457 97 A N 4.074 126.996 122.820 0.170 0.000 2.386 97 A HA 0.387 4.707 4.320 -0.000 0.000 0.308 97 A C -0.875 176.857 177.584 0.248 0.000 1.128 97 A CA -1.024 51.149 52.037 0.226 0.000 0.789 97 A CB 1.176 20.436 19.000 0.433 0.000 1.325 97 A HN 0.904 nan 8.150 nan 0.000 0.437 98 N N -0.353 118.490 118.700 0.239 0.000 2.518 98 N HA 0.480 5.220 4.740 -0.000 0.000 0.266 98 N C -1.004 174.639 175.510 0.222 0.000 1.196 98 N CA 0.452 53.621 53.050 0.198 0.000 0.947 98 N CB 0.536 39.125 38.487 0.169 0.000 1.098 98 N HN 0.498 nan 8.380 nan 0.000 0.450 99 I N 0.915 121.552 120.570 0.110 0.000 2.607 99 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 99 I C -0.759 175.338 176.117 -0.032 0.000 1.129 99 I CA -0.956 60.290 61.300 -0.091 0.000 1.042 99 I CB 2.055 39.938 38.000 -0.196 0.000 1.242 99 I HN 0.460 nan 8.210 nan 0.000 0.421 100 A N 4.944 127.681 122.820 -0.140 0.000 2.366 100 A HA 0.730 5.049 4.320 -0.000 0.000 0.322 100 A C 0.375 177.843 177.584 -0.192 0.000 1.397 100 A CA -0.447 51.538 52.037 -0.088 0.000 0.984 100 A CB 0.344 19.291 19.000 -0.089 0.000 1.149 100 A HN 0.808 nan 8.150 nan 0.000 0.540 101 A N 4.189 127.001 122.820 -0.012 0.000 2.545 101 A HA 0.444 4.763 4.320 -0.000 0.000 0.297 101 A C 0.315 177.878 177.584 -0.035 0.000 1.340 101 A CA -0.198 51.848 52.037 0.015 0.000 1.016 101 A CB -0.695 18.345 19.000 0.066 0.000 1.122 101 A HN 0.774 nan 8.150 nan 0.000 0.537 102 I N 3.469 123.961 120.570 -0.129 0.000 2.664 102 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 102 I C 1.689 177.833 176.117 0.045 0.000 1.154 102 I CA 0.616 61.872 61.300 -0.073 0.000 1.402 102 I CB 0.631 38.558 38.000 -0.122 0.000 1.395 102 I HN 0.843 nan 8.210 nan 0.000 0.545 103 T N 1.459 116.064 114.554 0.085 0.000 3.034 103 T HA 0.245 4.595 4.350 -0.000 0.000 0.248 103 T C 0.592 175.345 174.700 0.088 0.000 1.040 103 T CA 0.014 62.149 62.100 0.057 0.000 1.107 103 T CB 0.378 69.275 68.868 0.050 0.000 0.932 103 T HN 0.559 nan 8.240 nan 0.000 0.474 104 E N 0.631 120.916 120.200 0.142 0.000 2.383 104 E HA 0.603 4.953 4.350 -0.000 0.000 0.275 104 E C -1.417 175.307 176.600 0.208 0.000 0.918 104 E CA -0.801 55.692 56.400 0.154 0.000 0.764 104 E CB 2.503 32.262 29.700 0.099 0.000 1.252 104 E HN 0.423 nan 8.360 nan 0.000 0.449 105 S N 0.886 116.722 115.700 0.227 0.000 2.570 105 S HA 0.609 5.078 4.470 -0.000 0.000 0.270 105 S C -1.599 173.126 174.600 0.210 0.000 1.149 105 S CA -1.013 57.317 58.200 0.216 0.000 0.837 105 S CB 2.117 65.430 63.200 0.189 0.000 1.124 105 S HN 0.484 nan 8.310 nan 0.000 0.465 106 D N 0.239 120.756 120.400 0.194 0.000 2.479 106 D HA 0.393 5.033 4.640 -0.000 0.000 0.246 106 D C -0.904 175.523 176.300 0.212 0.000 1.336 106 D CA -0.417 53.689 54.000 0.177 0.000 0.967 106 D CB 0.594 41.462 40.800 0.112 0.000 1.275 106 D HN 0.724 nan 8.370 nan 0.000 0.577 107 K N 2.120 122.656 120.400 0.227 0.000 3.069 107 K HA -0.253 4.067 4.320 -0.000 0.000 0.267 107 K C -0.075 176.688 176.600 0.271 0.000 1.082 107 K CA 0.646 57.069 56.287 0.228 0.000 0.782 107 K CB -1.390 31.216 32.500 0.176 0.000 1.230 107 K HN 0.443 nan 8.250 nan 0.000 0.488 108 F N 0.270 120.270 119.950 0.083 0.000 2.389 108 F HA 0.284 4.811 4.527 -0.000 0.000 0.275 108 F C 0.673 176.491 175.800 0.030 0.000 1.009 108 F CA -0.070 57.941 58.000 0.018 0.000 1.187 108 F CB 0.214 39.125 39.000 -0.148 0.000 1.139 108 F HN -0.043 nan 8.300 nan 0.000 0.613 109 F N 2.377 122.332 119.950 0.008 0.000 2.572 109 F HA 0.173 4.700 4.527 -0.000 0.000 0.370 109 F C 0.243 175.951 175.800 -0.153 0.000 1.103 109 F CA 0.042 57.851 58.000 -0.319 0.000 1.286 109 F CB 0.095 38.875 39.000 -0.365 0.000 1.105 109 F HN -0.189 nan 8.300 nan 0.000 0.583 110 I N 2.929 123.315 120.570 -0.306 0.000 2.392 110 I HA 0.114 4.284 4.170 -0.000 0.000 0.295 110 I C 0.144 175.916 176.117 -0.575 0.000 0.985 110 I CA -0.644 60.467 61.300 -0.315 0.000 1.221 110 I CB 1.414 39.247 38.000 -0.278 0.000 1.366 110 I HN 0.594 nan 8.210 nan 0.000 0.467 111 N N 4.415 122.553 118.700 -0.936 0.000 2.431 111 N HA 0.100 4.839 4.740 -0.000 0.000 0.265 111 N C 0.846 176.030 175.510 -0.544 0.000 1.184 111 N CA 0.684 53.019 53.050 -1.192 0.000 0.943 111 N CB 0.441 38.086 38.487 -1.404 0.000 1.080 111 N HN 0.984 nan 8.380 nan 0.000 0.477 112 G N 2.097 110.663 108.800 -0.390 0.000 2.143 112 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.248 112 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.248 112 G C 0.880 175.673 174.900 -0.179 0.000 0.991 112 G CA 0.590 45.579 45.100 -0.185 0.000 0.689 112 G HN 0.733 nan 8.290 nan 0.000 0.522 113 S N -0.329 115.177 115.700 -0.323 0.000 2.395 113 S HA 0.037 4.506 4.470 -0.000 0.000 0.225 113 S C 1.411 175.882 174.600 -0.214 0.000 1.027 113 S CA 1.381 59.400 58.200 -0.302 0.000 0.965 113 S CB -0.131 62.639 63.200 -0.717 0.000 0.812 113 S HN 1.707 nan 8.310 nan 0.000 0.482 114 N N 0.152 118.665 118.700 -0.313 0.000 3.003 114 N HA -0.110 4.630 4.740 -0.000 0.000 0.237 114 N C -0.563 174.702 175.510 -0.409 0.000 0.969 114 N CA 1.296 54.204 53.050 -0.237 0.000 0.941 114 N CB -1.867 36.546 38.487 -0.124 0.000 1.098 114 N HN 0.864 nan 8.380 nan 0.000 0.563 115 W N -0.256 120.843 121.300 -0.334 0.000 2.666 115 W HA 0.722 5.382 4.660 -0.000 0.000 0.334 115 W C -0.062 176.380 176.519 -0.128 0.000 1.051 115 W CA -0.648 56.509 57.345 -0.313 0.000 1.224 115 W CB 0.624 29.953 29.460 -0.218 0.000 1.405 115 W HN -0.071 nan 8.180 nan 0.000 0.513 116 E N 1.756 122.094 120.200 0.231 0.000 2.583 116 E HA 0.350 4.699 4.350 -0.000 0.000 0.213 116 E C 0.544 177.377 176.600 0.389 0.000 0.989 116 E CA -0.020 56.475 56.400 0.158 0.000 0.991 116 E CB 1.339 31.035 29.700 -0.007 0.000 1.040 116 E HN 0.625 nan 8.360 nan 0.000 0.481 117 G N 0.105 109.210 108.800 0.508 0.000 2.649 117 G HA2 0.646 4.606 3.960 -0.000 0.000 0.290 117 G HA3 0.646 4.606 3.960 -0.000 0.000 0.290 117 G C -1.712 173.348 174.900 0.267 0.000 1.426 117 G CA -0.699 44.624 45.100 0.372 0.000 0.794 117 G HN 0.081 nan 8.290 nan 0.000 0.483 118 I N -0.066 120.629 120.570 0.208 0.000 2.569 118 I HA 0.628 4.798 4.170 -0.000 0.000 0.290 118 I C -1.644 174.593 176.117 0.200 0.000 1.088 118 I CA -1.191 60.171 61.300 0.103 0.000 1.047 118 I CB 2.057 40.178 38.000 0.202 0.000 1.237 118 I HN 0.435 nan 8.210 nan 0.000 0.421 119 L N 8.023 129.276 121.223 0.050 0.000 2.301 119 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 119 L C 0.028 176.883 176.870 -0.025 0.000 1.022 119 L CA -0.055 54.768 54.840 -0.028 0.000 0.854 119 L CB 1.023 42.899 42.059 -0.305 0.000 1.226 119 L HN 0.635 nan 8.230 nan 0.000 0.429 120 G N 5.075 113.929 108.800 0.089 0.000 2.372 120 G HA2 0.358 4.318 3.960 -0.000 0.000 0.286 120 G HA3 0.358 4.318 3.960 -0.000 0.000 0.286 120 G C 0.430 175.342 174.900 0.021 0.000 1.153 120 G CA -0.364 44.784 45.100 0.079 0.000 0.985 120 G HN 0.733 nan 8.290 nan 0.000 0.429 121 L N 2.096 123.291 121.223 -0.047 0.000 2.607 121 L HA 0.262 4.601 4.340 -0.000 0.000 0.228 121 L C 1.887 178.736 176.870 -0.035 0.000 1.123 121 L CA -0.131 54.653 54.840 -0.093 0.000 0.890 121 L CB -0.102 41.739 42.059 -0.363 0.000 1.103 121 L HN 0.577 nan 8.230 nan 0.000 0.468 122 A N -0.961 121.802 122.820 -0.094 0.000 2.251 122 A HA 0.382 4.702 4.320 -0.000 0.000 0.278 122 A C -0.554 176.782 177.584 -0.413 0.000 1.206 122 A CA -0.221 51.565 52.037 -0.418 0.000 0.822 122 A CB 0.021 18.846 19.000 -0.291 0.000 1.187 122 A HN 0.103 nan 8.150 nan 0.000 0.504 123 Y N -1.277 118.893 120.300 -0.216 0.000 2.299 123 Y HA 0.355 4.905 4.550 -0.000 0.000 0.335 123 Y C 1.720 177.594 175.900 -0.042 0.000 1.287 123 Y CA 0.391 58.444 58.100 -0.079 0.000 1.424 123 Y CB 0.576 39.000 38.460 -0.059 0.000 1.326 123 Y HN 0.681 nan 8.280 nan 0.000 0.567 124 A N 0.946 123.871 122.820 0.175 0.000 1.940 124 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 124 A C 1.980 179.603 177.584 0.064 0.000 1.176 124 A CA 1.887 53.982 52.037 0.096 0.000 0.631 124 A CB -0.919 18.136 19.000 0.093 0.000 0.814 124 A HN 0.955 nan 8.150 nan 0.000 0.446 125 E N 0.287 120.540 120.200 0.088 0.000 2.301 125 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 125 E C 1.297 177.918 176.600 0.036 0.000 1.017 125 E CA 1.632 58.069 56.400 0.062 0.000 0.831 125 E CB -0.402 29.351 29.700 0.089 0.000 0.742 125 E HN 0.835 nan 8.360 nan 0.000 0.491 126 I N -3.385 117.172 120.570 -0.021 0.000 3.936 126 I HA 0.498 4.668 4.170 -0.000 0.000 0.330 126 I C 0.420 176.472 176.117 -0.108 0.000 1.509 126 I CA -0.666 60.564 61.300 -0.117 0.000 1.126 126 I CB 0.509 38.282 38.000 -0.379 0.000 1.115 126 I HN 0.004 nan 8.210 nan 0.000 0.424 127 A N 1.643 124.431 122.820 -0.053 0.000 2.287 127 A HA 0.753 5.073 4.320 -0.000 0.000 0.273 127 A C -0.048 177.485 177.584 -0.085 0.000 1.091 127 A CA -0.439 51.572 52.037 -0.042 0.000 0.817 127 A CB 0.554 19.562 19.000 0.014 0.000 1.069 127 A HN 0.352 nan 8.150 nan 0.000 0.492 128 R N 0.268 120.704 120.500 -0.107 0.000 2.637 128 R HA 0.411 4.751 4.340 -0.000 0.000 0.291 128 R C -2.359 173.890 176.300 -0.085 0.000 0.963 128 R CA -2.354 53.639 56.100 -0.178 0.000 0.901 128 R CB 0.695 30.779 30.300 -0.360 0.000 1.160 128 R HN 0.382 nan 8.270 nan 0.000 0.457 129 P HA -0.081 nan 4.420 nan 0.000 0.221 129 P C -0.630 176.614 177.300 -0.093 0.000 1.150 129 P CA 1.144 64.175 63.100 -0.116 0.000 0.800 129 P CB 0.400 32.067 31.700 -0.055 0.000 0.787 130 D N -3.816 116.553 120.400 -0.052 0.000 2.692 130 D HA 0.075 4.715 4.640 -0.000 0.000 0.303 130 D C -0.450 175.841 176.300 -0.014 0.000 1.278 130 D CA -0.705 53.273 54.000 -0.036 0.000 0.852 130 D CB -0.391 40.395 40.800 -0.023 0.000 1.375 130 D HN -0.253 nan 8.370 nan 0.000 0.453 131 D N -0.977 119.420 120.400 -0.005 0.000 2.390 131 D HA -0.084 4.556 4.640 -0.000 0.000 0.235 131 D C 1.135 177.447 176.300 0.020 0.000 1.040 131 D CA 0.842 54.849 54.000 0.012 0.000 0.923 131 D CB -0.359 40.448 40.800 0.013 0.000 0.886 131 D HN 0.288 nan 8.370 nan 0.000 0.532 132 S N -0.841 114.868 115.700 0.015 0.000 2.548 132 S HA 0.042 4.512 4.470 -0.000 0.000 0.215 132 S C 0.722 175.340 174.600 0.029 0.000 0.976 132 S CA -0.664 57.547 58.200 0.019 0.000 0.908 132 S CB -0.329 62.879 63.200 0.013 0.000 0.781 132 S HN 0.220 nan 8.310 nan 0.000 0.519 133 L N 3.510 124.754 121.223 0.035 0.000 2.356 133 L HA 0.391 4.731 4.340 -0.000 0.000 0.282 133 L C 0.172 177.082 176.870 0.068 0.000 1.132 133 L CA -0.356 54.516 54.840 0.053 0.000 0.923 133 L CB 0.044 42.137 42.059 0.058 0.000 1.278 133 L HN 0.305 nan 8.230 nan 0.000 0.436 134 E N 6.284 126.523 120.200 0.065 0.000 2.585 134 E HA 0.033 4.383 4.350 -0.000 0.000 0.252 134 E C -2.119 174.541 176.600 0.101 0.000 0.981 134 E CA -1.195 55.247 56.400 0.070 0.000 0.943 134 E CB 0.502 30.230 29.700 0.047 0.000 0.923 134 E HN 0.435 nan 8.360 nan 0.000 0.486 135 P HA -0.033 nan 4.420 nan 0.000 0.272 135 P C 0.016 177.413 177.300 0.162 0.000 1.230 135 P CA -0.261 62.931 63.100 0.153 0.000 0.788 135 P CB 0.379 32.154 31.700 0.125 0.000 0.949 136 F N 1.870 121.859 119.950 0.064 0.000 2.043 136 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 136 F C 2.053 177.849 175.800 -0.006 0.000 1.118 136 F CA 1.654 59.650 58.000 -0.008 0.000 1.202 136 F CB -0.968 37.927 39.000 -0.175 0.000 0.965 136 F HN 0.213 nan 8.300 nan 0.000 0.482 137 F N 1.501 121.377 119.950 -0.122 0.000 2.120 137 F HA -0.272 4.255 4.527 -0.001 0.000 0.300 137 F C 2.461 178.148 175.800 -0.189 0.000 1.095 137 F CA 2.302 60.184 58.000 -0.197 0.000 1.249 137 F CB -0.727 38.255 39.000 -0.029 0.000 0.995 137 F HN 0.097 nan 8.300 nan 0.000 0.480 138 D N -0.798 119.622 120.400 0.033 0.000 2.123 138 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 138 D C 2.382 178.594 176.300 -0.147 0.000 0.992 138 D CA 1.730 55.729 54.000 -0.002 0.000 0.833 138 D CB -0.186 40.653 40.800 0.065 0.000 0.954 138 D HN 0.275 nan 8.370 nan 0.000 0.455 139 S N 0.960 116.535 115.700 -0.208 0.000 2.356 139 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 139 S C 1.942 176.324 174.600 -0.364 0.000 1.032 139 S CA 0.432 58.487 58.200 -0.242 0.000 1.005 139 S CB -0.331 62.733 63.200 -0.227 0.000 0.867 139 S HN 0.171 nan 8.310 nan 0.000 0.449 140 L N 2.165 123.017 121.223 -0.618 0.000 2.013 140 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 140 L C 2.149 178.740 176.870 -0.464 0.000 1.073 140 L CA 1.732 56.188 54.840 -0.640 0.000 0.753 140 L CB -0.860 40.641 42.059 -0.930 0.000 0.890 140 L HN 0.157 nan 8.230 nan 0.000 0.432 141 V N -0.400 119.230 119.914 -0.473 0.000 2.427 141 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 141 V C 2.583 178.559 176.094 -0.196 0.000 1.051 141 V CA 2.003 64.120 62.300 -0.305 0.000 1.048 141 V CB -0.668 31.029 31.823 -0.209 0.000 0.666 141 V HN 0.471 nan 8.190 nan 0.000 0.456 142 K N -0.458 119.837 120.400 -0.175 0.000 2.167 142 K HA -0.099 4.220 4.320 -0.000 0.000 0.203 142 K C 2.183 178.692 176.600 -0.152 0.000 1.052 142 K CA 1.074 57.282 56.287 -0.131 0.000 0.956 142 K CB -0.083 32.360 32.500 -0.094 0.000 0.735 142 K HN 0.509 nan 8.250 nan 0.000 0.451 143 Q N 0.080 119.777 119.800 -0.172 0.000 2.354 143 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 143 Q C 1.008 176.902 176.000 -0.175 0.000 0.933 143 Q CA 0.931 56.641 55.803 -0.155 0.000 0.901 143 Q CB 0.576 29.233 28.738 -0.136 0.000 1.007 143 Q HN 0.328 nan 8.270 nan 0.000 0.495 144 T N -3.845 110.587 114.554 -0.204 0.000 2.718 144 T HA 0.246 4.596 4.350 -0.000 0.000 0.267 144 T C 0.144 174.693 174.700 -0.252 0.000 0.957 144 T CA -0.652 61.339 62.100 -0.183 0.000 1.025 144 T CB 0.835 69.636 68.868 -0.112 0.000 1.355 144 T HN 0.032 nan 8.240 nan 0.000 0.572 145 H N -1.235 117.802 119.070 -0.055 0.000 2.586 145 H HA 0.477 5.033 4.556 -0.001 0.000 0.273 145 H C 0.327 175.634 175.328 -0.035 0.000 0.997 145 H CA -0.194 55.833 56.048 -0.036 0.000 1.177 145 H CB 0.188 29.940 29.762 -0.017 0.000 1.471 145 H HN 0.259 nan 8.280 nan 0.000 0.538 146 V N 3.532 123.459 119.914 0.022 0.000 2.625 146 V HA -0.072 4.047 4.120 -0.000 0.000 0.305 146 V C -1.801 174.301 176.094 0.013 0.000 1.055 146 V CA -0.766 61.533 62.300 -0.002 0.000 1.209 146 V CB 0.329 32.089 31.823 -0.106 0.000 0.877 146 V HN 0.212 nan 8.190 nan 0.000 0.489 147 P HA 0.075 nan 4.420 nan 0.000 0.269 147 P C -0.141 177.255 177.300 0.159 0.000 1.215 147 P CA -0.345 62.817 63.100 0.103 0.000 0.780 147 P CB 0.325 32.093 31.700 0.115 0.000 0.898 148 N N 2.656 121.465 118.700 0.181 0.000 2.971 148 N HA 0.220 4.960 4.740 -0.000 0.000 0.294 148 N C -0.968 174.760 175.510 0.363 0.000 1.210 148 N CA 0.305 53.549 53.050 0.324 0.000 1.157 148 N CB -1.142 37.486 38.487 0.235 0.000 1.450 148 N HN 0.335 nan 8.380 nan 0.000 0.527 149 L N 1.932 123.435 121.223 0.466 0.000 2.789 149 L HA 0.569 4.908 4.340 -0.000 0.000 0.258 149 L C -1.974 175.097 176.870 0.334 0.000 0.966 149 L CA -0.917 54.069 54.840 0.243 0.000 0.916 149 L CB 1.051 43.188 42.059 0.131 0.000 1.475 149 L HN 0.224 nan 8.230 nan 0.000 0.418 150 F N 0.962 120.905 119.950 -0.010 0.000 2.665 150 F HA 0.840 5.367 4.527 -0.001 0.000 0.308 150 F C -1.343 174.428 175.800 -0.050 0.000 1.112 150 F CA -0.421 57.560 58.000 -0.031 0.000 0.972 150 F CB 1.673 40.575 39.000 -0.163 0.000 1.295 150 F HN 0.440 nan 8.300 nan 0.000 0.440 151 S N 2.850 118.650 115.700 0.168 0.000 2.542 151 S HA 0.862 5.332 4.470 -0.000 0.000 0.293 151 S C -1.411 173.259 174.600 0.116 0.000 1.089 151 S CA -0.851 57.303 58.200 -0.077 0.000 0.961 151 S CB 2.029 64.977 63.200 -0.420 0.000 1.062 151 S HN 0.839 nan 8.310 nan 0.000 0.483 152 L N 1.929 123.172 121.223 0.035 0.000 2.362 152 L HA 0.552 4.891 4.340 -0.000 0.000 0.275 152 L C -0.313 176.623 176.870 0.109 0.000 0.998 152 L CA -0.410 54.490 54.840 0.100 0.000 0.820 152 L CB 2.032 44.157 42.059 0.108 0.000 1.270 152 L HN 0.776 nan 8.230 nan 0.000 0.415 153 Q N 5.023 124.911 119.800 0.145 0.000 2.508 153 Q HA 0.450 4.790 4.340 -0.000 0.000 0.247 153 Q C -1.618 174.351 176.000 -0.051 0.000 1.047 153 Q CA -0.526 55.360 55.803 0.138 0.000 0.783 153 Q CB 0.987 29.806 28.738 0.137 0.000 1.172 153 Q HN 0.629 nan 8.270 nan 0.000 0.515 154 L N 3.262 124.390 121.223 -0.159 0.000 2.276 154 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 154 L C -0.484 176.297 176.870 -0.147 0.000 1.061 154 L CA -0.764 53.836 54.840 -0.401 0.000 0.807 154 L CB 1.043 42.669 42.059 -0.720 0.000 1.177 154 L HN 0.625 nan 8.230 nan 0.000 0.429 155 C N 2.395 121.685 119.300 -0.016 0.000 2.376 155 C HA 0.711 5.171 4.460 -0.000 0.000 0.335 155 C C 1.054 176.120 174.990 0.127 0.000 1.229 155 C CA -0.789 58.255 59.018 0.043 0.000 1.867 155 C CB 0.967 28.727 27.740 0.033 0.000 2.319 155 C HN 0.940 nan 8.230 nan 0.000 0.515 156 G N 0.891 109.726 108.800 0.059 0.000 2.580 156 G HA2 0.598 4.557 3.960 -0.000 0.000 0.278 156 G HA3 0.598 4.557 3.960 -0.000 0.000 0.278 156 G C -0.169 174.754 174.900 0.038 0.000 1.212 156 G CA 0.075 45.213 45.100 0.063 0.000 0.939 156 G HN 1.149 nan 8.290 nan 0.000 0.513 170 V N 0.799 120.677 119.914 -0.060 0.000 3.049 170 V HA 0.992 5.112 4.120 -0.000 0.000 0.309 170 V C 0.685 176.758 176.094 -0.035 0.000 1.148 170 V CA 0.067 62.338 62.300 -0.049 0.000 0.990 170 V CB 1.911 33.663 31.823 -0.118 0.000 1.039 170 V HN 1.500 nan 8.190 nan 0.000 0.430 171 G N -0.343 108.494 108.800 0.062 0.000 2.949 171 G HA2 0.950 4.910 3.960 -0.000 0.000 0.285 171 G HA3 0.950 4.910 3.960 -0.000 0.000 0.285 171 G C -0.441 174.547 174.900 0.147 0.000 1.395 171 G CA -0.276 44.863 45.100 0.066 0.000 0.901 171 G HN 1.484 nan 8.290 nan 0.000 0.519 172 G N -1.653 107.184 108.800 0.062 0.000 2.317 172 G HA2 0.579 4.539 3.960 -0.000 0.000 0.293 172 G HA3 0.579 4.539 3.960 -0.000 0.000 0.293 172 G C -1.253 173.648 174.900 0.002 0.000 1.287 172 G CA 0.207 45.316 45.100 0.015 0.000 0.850 172 G HN 1.333 nan 8.290 nan 0.000 0.515 173 S N -0.710 114.993 115.700 0.006 0.000 2.549 173 S HA 0.735 5.205 4.470 -0.000 0.000 0.280 173 S C -0.606 174.033 174.600 0.065 0.000 1.109 173 S CA -0.572 57.650 58.200 0.037 0.000 0.905 173 S CB 1.913 65.146 63.200 0.056 0.000 1.081 173 S HN 0.950 nan 8.310 nan 0.000 0.477 174 M N 3.566 123.208 119.600 0.070 0.000 2.093 174 M HA 0.491 4.971 4.480 -0.000 0.000 0.297 174 M C -1.875 174.500 176.300 0.124 0.000 0.938 174 M CA -0.690 54.660 55.300 0.084 0.000 0.920 174 M CB 0.426 33.032 32.600 0.011 0.000 1.517 174 M HN 0.487 nan 8.290 nan 0.000 0.427 175 I N 6.796 127.474 120.570 0.181 0.000 2.287 175 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 175 I C -0.038 176.211 176.117 0.220 0.000 1.069 175 I CA -0.473 60.941 61.300 0.190 0.000 1.237 175 I CB -0.063 38.071 38.000 0.223 0.000 1.418 175 I HN 0.633 nan 8.210 nan 0.000 0.481 176 I N 5.484 126.175 120.570 0.201 0.000 2.436 176 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 176 I C 1.360 177.625 176.117 0.247 0.000 1.083 176 I CA 0.408 61.865 61.300 0.262 0.000 1.372 176 I CB 0.090 38.212 38.000 0.203 0.000 1.408 176 I HN 0.888 nan 8.210 nan 0.000 0.516 177 G N 4.320 113.317 108.800 0.328 0.000 2.132 177 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.234 177 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.234 177 G C 0.348 175.358 174.900 0.184 0.000 0.989 177 G CA -0.041 45.205 45.100 0.243 0.000 0.676 177 G HN 1.269 nan 8.290 nan 0.000 0.522 178 G N -1.366 107.541 108.800 0.178 0.000 2.325 178 G HA2 0.558 4.518 3.960 -0.000 0.000 0.295 178 G HA3 0.558 4.518 3.960 -0.000 0.000 0.295 178 G C -1.518 173.459 174.900 0.128 0.000 1.274 178 G CA -0.384 44.800 45.100 0.140 0.000 0.857 178 G HN 0.804 nan 8.290 nan 0.000 0.499 179 I N 1.068 121.715 120.570 0.128 0.000 2.436 179 I HA 0.313 4.482 4.170 -0.000 0.000 0.289 179 I C -1.268 174.942 176.117 0.156 0.000 1.010 179 I CA -0.626 60.753 61.300 0.131 0.000 1.098 179 I CB 2.138 40.140 38.000 0.004 0.000 1.266 179 I HN 0.363 nan 8.210 nan 0.000 0.434 180 D N 5.693 126.229 120.400 0.226 0.000 2.396 180 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 180 D C 1.097 177.433 176.300 0.060 0.000 1.121 180 D CA -0.125 53.959 54.000 0.140 0.000 0.853 180 D CB 0.650 41.509 40.800 0.098 0.000 1.043 180 D HN 0.484 nan 8.370 nan 0.000 0.500 181 H N 1.623 120.761 119.070 0.113 0.000 2.557 181 H HA -0.091 4.465 4.556 -0.001 0.000 0.287 181 H C 1.537 176.704 175.328 -0.268 0.000 1.043 181 H CA 1.043 57.058 56.048 -0.055 0.000 1.226 181 H CB 0.345 30.068 29.762 -0.065 0.000 1.361 181 H HN 0.358 nan 8.280 nan 0.000 0.592 182 S N 0.122 115.776 115.700 -0.077 0.000 2.593 182 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 182 S C 1.671 176.167 174.600 -0.174 0.000 0.966 182 S CA -0.137 57.991 58.200 -0.120 0.000 0.914 182 S CB -0.219 62.946 63.200 -0.058 0.000 0.776 182 S HN 0.264 nan 8.310 nan 0.000 0.523 183 L N 0.426 121.494 121.223 -0.258 0.000 2.607 183 L HA 0.390 4.730 4.340 -0.000 0.000 0.228 183 L C 0.203 176.912 176.870 -0.268 0.000 1.123 183 L CA -0.332 54.305 54.840 -0.338 0.000 0.890 183 L CB -0.194 41.498 42.059 -0.611 0.000 1.103 183 L HN 0.569 nan 8.230 nan 0.000 0.468 184 Y N -2.254 117.855 120.300 -0.319 0.000 2.655 184 Y HA 0.715 5.264 4.550 -0.000 0.000 0.336 184 Y C -0.479 175.383 175.900 -0.064 0.000 1.154 184 Y CA -1.436 56.571 58.100 -0.154 0.000 1.055 184 Y CB 0.955 39.376 38.460 -0.065 0.000 1.295 184 Y HN -0.095 nan 8.280 nan 0.000 0.465 185 T N -0.940 113.652 114.554 0.064 0.000 2.916 185 T HA 0.802 5.152 4.350 -0.000 0.000 0.292 185 T C 0.344 175.125 174.700 0.135 0.000 1.064 185 T CA -0.362 61.721 62.100 -0.028 0.000 1.011 185 T CB 1.101 69.934 68.868 -0.058 0.000 1.152 185 T HN 2.270 nan 8.240 nan 0.000 0.510 186 G N 1.410 110.256 108.800 0.077 0.000 2.698 186 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.233 186 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.233 186 G C -0.249 174.771 174.900 0.199 0.000 1.352 186 G CA -0.390 44.790 45.100 0.132 0.000 0.879 186 G HN 1.376 nan 8.290 nan 0.000 0.567 187 S N -0.487 115.313 115.700 0.166 0.000 2.586 187 S HA 0.608 5.078 4.470 -0.000 0.000 0.274 187 S C 0.492 175.065 174.600 -0.045 0.000 1.281 187 S CA -0.592 57.623 58.200 0.025 0.000 1.035 187 S CB 1.587 64.689 63.200 -0.163 0.000 0.962 187 S HN 0.662 nan 8.310 nan 0.000 0.512 188 L N 2.185 123.282 121.223 -0.210 0.000 2.305 188 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 188 L C -1.133 175.356 176.870 -0.635 0.000 1.085 188 L CA -0.315 54.289 54.840 -0.393 0.000 0.813 188 L CB 0.511 42.296 42.059 -0.457 0.000 1.157 188 L HN 0.696 nan 8.230 nan 0.000 0.436 189 W N 2.996 123.916 121.300 -0.634 0.000 2.573 189 W HA 0.442 5.102 4.660 -0.001 0.000 0.326 189 W C -0.773 175.188 176.519 -0.931 0.000 1.049 189 W CA -0.261 56.569 57.345 -0.858 0.000 1.220 189 W CB 1.067 29.663 29.460 -1.440 0.000 1.373 189 W HN 0.211 nan 8.180 nan 0.000 0.507 190 Y N 1.397 121.562 120.300 -0.224 0.000 2.377 190 Y HA 0.538 5.088 4.550 -0.000 0.000 0.339 190 Y C 0.506 176.598 175.900 0.320 0.000 1.011 190 Y CA -0.791 57.320 58.100 0.019 0.000 1.093 190 Y CB 2.221 40.664 38.460 -0.028 0.000 1.201 190 Y HN 0.154 nan 8.280 nan 0.000 0.455 191 T N 4.923 119.799 114.554 0.536 0.000 2.841 191 T HA 0.506 4.856 4.350 -0.000 0.000 0.283 191 T C -2.827 172.049 174.700 0.293 0.000 1.000 191 T CA -2.545 59.825 62.100 0.450 0.000 0.977 191 T CB 1.089 70.175 68.868 0.363 0.000 0.979 191 T HN 0.249 nan 8.240 nan 0.000 0.446 192 P HA 0.308 nan 4.420 nan 0.000 0.272 192 P C -0.591 176.819 177.300 0.182 0.000 1.223 192 P CA -0.281 62.923 63.100 0.174 0.000 0.784 192 P CB 0.419 32.200 31.700 0.137 0.000 0.923 193 I N 2.948 123.628 120.570 0.183 0.000 2.291 193 I HA 0.192 4.362 4.170 -0.000 0.000 0.292 193 I C 1.944 178.168 176.117 0.179 0.000 1.064 193 I CA -0.201 61.236 61.300 0.229 0.000 1.269 193 I CB 0.588 38.759 38.000 0.286 0.000 1.418 193 I HN 0.440 nan 8.210 nan 0.000 0.485 194 R N 5.711 126.326 120.500 0.192 0.000 2.103 194 R HA -0.063 4.277 4.340 -0.000 0.000 0.242 194 R C 0.788 177.160 176.300 0.119 0.000 1.142 194 R CA 1.481 57.673 56.100 0.155 0.000 0.960 194 R CB 0.274 30.683 30.300 0.182 0.000 0.858 194 R HN 0.610 nan 8.270 nan 0.000 0.439 195 R N -0.281 120.323 120.500 0.174 0.000 2.629 195 R HA 0.098 4.437 4.340 -0.000 0.000 0.266 195 R C -1.642 174.744 176.300 0.144 0.000 1.051 195 R CA -0.499 55.643 56.100 0.069 0.000 0.895 195 R CB 1.506 31.768 30.300 -0.064 0.000 1.246 195 R HN 0.037 nan 8.270 nan 0.000 0.459 196 E N 4.300 124.425 120.200 -0.126 0.000 1.964 196 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 196 E C -0.218 176.314 176.600 -0.112 0.000 1.120 196 E CA -0.115 55.974 56.400 -0.517 0.000 1.061 196 E CB 0.281 29.235 29.700 -1.243 0.000 1.190 196 E HN 0.481 nan 8.360 nan 0.000 0.459 197 W N 1.357 122.610 121.300 -0.078 0.000 4.714 197 W HA 0.215 4.875 4.660 -0.000 0.000 0.177 197 W C -0.245 176.234 176.519 -0.066 0.000 2.961 197 W CA -0.163 57.147 57.345 -0.058 0.000 1.926 197 W CB -0.511 28.887 29.460 -0.103 0.000 1.627 197 W HN 0.037 nan 8.180 nan 0.000 0.726 198 Y N 0.223 120.232 120.300 -0.484 0.000 2.436 198 Y HA 0.353 4.903 4.550 -0.001 0.000 0.336 198 Y C -0.184 175.606 175.900 -0.184 0.000 1.318 198 Y CA -0.614 57.211 58.100 -0.458 0.000 1.493 198 Y CB 0.115 38.141 38.460 -0.724 0.000 1.547 198 Y HN -0.170 nan 8.280 nan 0.000 0.549 199 Y N 0.926 121.386 120.300 0.267 0.000 2.724 199 Y HA 0.129 4.679 4.550 -0.000 0.000 0.332 199 Y C 0.299 176.341 175.900 0.237 0.000 1.276 199 Y CA -0.351 57.937 58.100 0.314 0.000 1.597 199 Y CB -0.131 38.536 38.460 0.345 0.000 1.584 199 Y HN 0.393 nan 8.280 nan 0.000 0.478 200 E N 2.571 122.978 120.200 0.344 0.000 2.316 200 E HA 0.357 4.707 4.350 -0.000 0.000 0.275 200 E C -0.745 176.015 176.600 0.267 0.000 1.029 200 E CA -0.395 56.180 56.400 0.291 0.000 0.871 200 E CB 0.833 30.795 29.700 0.437 0.000 1.022 200 E HN 0.416 nan 8.360 nan 0.000 0.418 201 V N 1.669 121.701 119.914 0.198 0.000 3.074 201 V HA 0.614 4.734 4.120 -0.000 0.000 0.314 201 V C -0.379 175.784 176.094 0.115 0.000 1.117 201 V CA -1.002 61.392 62.300 0.156 0.000 1.014 201 V CB 1.736 33.638 31.823 0.132 0.000 1.057 201 V HN 0.553 nan 8.190 nan 0.000 0.438 202 I N 2.367 122.987 120.570 0.084 0.000 2.382 202 I HA 0.469 4.638 4.170 -0.000 0.000 0.286 202 I C -0.545 175.582 176.117 0.017 0.000 1.002 202 I CA -0.430 60.913 61.300 0.072 0.000 1.135 202 I CB 1.713 39.763 38.000 0.084 0.000 1.288 202 I HN 0.505 nan 8.210 nan 0.000 0.448 203 I N 6.806 127.394 120.570 0.030 0.000 2.371 203 I HA 0.085 4.255 4.170 -0.000 0.000 0.290 203 I C 1.202 177.362 176.117 0.070 0.000 1.028 203 I CA -0.182 61.108 61.300 -0.017 0.000 1.345 203 I CB 1.590 39.568 38.000 -0.037 0.000 1.407 203 I HN 0.508 nan 8.210 nan 0.000 0.501 204 V N 2.994 122.914 119.914 0.010 0.000 3.431 204 V HA 0.353 4.473 4.120 -0.000 0.000 0.253 204 V C 0.676 176.812 176.094 0.071 0.000 1.184 204 V CA 0.209 62.544 62.300 0.058 0.000 1.104 204 V CB -0.043 31.780 31.823 0.001 0.000 0.799 204 V HN 0.845 nan 8.190 nan 0.000 0.462 205 R N -0.481 119.989 120.500 -0.050 0.000 2.663 205 R HA 0.710 5.049 4.340 -0.000 0.000 0.267 205 R C -2.365 173.760 176.300 -0.291 0.000 1.038 205 R CA -0.400 55.602 56.100 -0.163 0.000 0.886 205 R CB 2.748 32.721 30.300 -0.545 0.000 1.249 205 R HN 0.078 nan 8.270 nan 0.000 0.463 206 V N 2.535 122.234 119.914 -0.360 0.000 2.623 206 V HA 0.465 4.584 4.120 -0.000 0.000 0.304 206 V C -0.951 175.069 176.094 -0.124 0.000 1.054 206 V CA -0.760 61.334 62.300 -0.343 0.000 0.882 206 V CB 1.945 33.352 31.823 -0.693 0.000 1.002 206 V HN 0.793 nan 8.190 nan 0.000 0.424 207 E N 4.577 124.755 120.200 -0.036 0.000 2.293 207 E HA 0.603 4.953 4.350 -0.000 0.000 0.270 207 E C -1.518 175.089 176.600 0.011 0.000 0.879 207 E CA -0.875 55.528 56.400 0.006 0.000 0.756 207 E CB 2.856 32.595 29.700 0.064 0.000 1.208 207 E HN 0.388 nan 8.360 nan 0.000 0.428 208 I N 2.991 123.573 120.570 0.021 0.000 2.382 208 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 208 I C 0.041 176.194 176.117 0.059 0.000 1.002 208 I CA -0.713 60.611 61.300 0.040 0.000 1.135 208 I CB 0.711 38.728 38.000 0.028 0.000 1.288 208 I HN 0.594 nan 8.210 nan 0.000 0.448 209 N N 5.242 123.991 118.700 0.081 0.000 2.716 209 N HA -0.217 4.522 4.740 -0.000 0.000 0.250 209 N C 1.228 176.780 175.510 0.071 0.000 1.033 209 N CA 1.335 54.438 53.050 0.087 0.000 0.727 209 N CB -0.716 37.829 38.487 0.097 0.000 0.950 209 N HN 1.129 nan 8.380 nan 0.000 0.541 210 G N -1.688 107.151 108.800 0.065 0.000 2.253 210 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.251 210 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.251 210 G C 0.069 174.997 174.900 0.046 0.000 0.998 210 G CA 0.645 45.783 45.100 0.063 0.000 0.621 210 G HN 0.537 nan 8.290 nan 0.000 0.524 211 Q N 1.453 121.275 119.800 0.036 0.000 2.279 211 Q HA 0.490 4.829 4.340 -0.000 0.000 0.256 211 Q C -0.007 175.999 176.000 0.010 0.000 0.937 211 Q CA -0.300 55.516 55.803 0.021 0.000 0.933 211 Q CB 0.993 29.743 28.738 0.019 0.000 1.189 211 Q HN 0.348 nan 8.270 nan 0.000 0.417 212 D N 2.256 122.654 120.400 -0.002 0.000 2.414 212 D HA -0.068 4.572 4.640 -0.000 0.000 0.242 212 D C 0.423 176.731 176.300 0.013 0.000 1.129 212 D CA -0.060 53.931 54.000 -0.014 0.000 0.885 212 D CB 1.054 41.835 40.800 -0.031 0.000 1.198 212 D HN 0.460 nan 8.370 nan 0.000 0.437 213 L N 3.478 124.726 121.223 0.042 0.000 2.465 213 L HA -0.005 4.334 4.340 -0.000 0.000 0.224 213 L C 1.489 178.403 176.870 0.073 0.000 1.145 213 L CA 0.933 55.817 54.840 0.073 0.000 0.834 213 L CB -0.685 41.456 42.059 0.137 0.000 0.944 213 L HN 0.625 nan 8.230 nan 0.000 0.451 214 K N -1.069 119.367 120.400 0.061 0.000 3.048 214 K HA -0.248 4.072 4.320 -0.000 0.000 0.274 214 K C 0.244 176.839 176.600 -0.009 0.000 1.098 214 K CA 0.720 57.018 56.287 0.020 0.000 0.807 214 K CB -1.267 31.233 32.500 0.000 0.000 1.217 214 K HN 0.354 nan 8.250 nan 0.000 0.477 215 M N 0.160 119.753 119.600 -0.011 0.000 2.371 215 M HA 0.140 4.620 4.480 -0.000 0.000 0.301 215 M C 0.470 176.602 176.300 -0.279 0.000 1.173 215 M CA -0.587 54.620 55.300 -0.154 0.000 1.020 215 M CB 0.546 33.016 32.600 -0.217 0.000 1.490 215 M HN -0.036 nan 8.290 nan 0.000 0.485 216 D N 1.094 121.330 120.400 -0.273 0.000 2.401 216 D HA 0.034 4.674 4.640 -0.000 0.000 0.254 216 D C 1.007 177.054 176.300 -0.422 0.000 1.192 216 D CA -0.224 53.631 54.000 -0.241 0.000 0.885 216 D CB 0.988 41.694 40.800 -0.156 0.000 1.147 216 D HN 0.834 nan 8.370 nan 0.000 0.478 217 C N 3.578 122.677 119.300 -0.336 0.000 2.399 217 C HA -0.073 4.387 4.460 -0.000 0.000 0.296 217 C C 2.040 176.930 174.990 -0.167 0.000 1.415 217 C CA 0.011 58.839 59.018 -0.317 0.000 1.798 217 C CB -0.812 26.934 27.740 0.010 0.000 1.802 217 C HN 0.595 nan 8.230 nan 0.000 0.549 218 K N 0.746 121.080 120.400 -0.110 0.000 2.211 218 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 218 K C 2.212 178.837 176.600 0.042 0.000 1.050 218 K CA 1.256 57.564 56.287 0.035 0.000 0.945 218 K CB -0.094 32.451 32.500 0.075 0.000 0.732 218 K HN 0.545 nan 8.250 nan 0.000 0.451 219 E N 0.154 120.276 120.200 -0.129 0.000 2.106 219 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 219 E C 1.797 178.426 176.600 0.050 0.000 0.984 219 E CA 1.254 57.602 56.400 -0.086 0.000 0.806 219 E CB -0.244 29.330 29.700 -0.210 0.000 0.750 219 E HN 0.535 nan 8.360 nan 0.000 0.458 220 Y N 0.873 121.207 120.300 0.058 0.000 2.333 220 Y HA -0.085 4.465 4.550 -0.000 0.000 0.290 220 Y C 1.383 177.311 175.900 0.046 0.000 1.144 220 Y CA 0.400 58.522 58.100 0.038 0.000 1.228 220 Y CB 0.160 38.626 38.460 0.010 0.000 0.985 220 Y HN 0.027 nan 8.280 nan 0.000 0.542 221 N N -0.993 117.834 118.700 0.212 0.000 2.351 221 N HA -0.036 4.703 4.740 -0.000 0.000 0.254 221 N C -0.780 174.796 175.510 0.111 0.000 1.241 221 N CA -0.214 52.927 53.050 0.151 0.000 0.883 221 N CB -0.023 38.565 38.487 0.169 0.000 1.202 221 N HN 0.174 nan 8.380 nan 0.000 0.512 222 Y N 3.182 123.454 120.300 -0.047 0.000 2.802 222 Y HA -0.047 4.503 4.550 -0.001 0.000 0.351 222 Y C 1.034 176.729 175.900 -0.341 0.000 1.237 222 Y CA 0.598 58.549 58.100 -0.248 0.000 1.599 222 Y CB -0.293 38.050 38.460 -0.194 0.000 1.214 222 Y HN 0.222 nan 8.280 nan 0.000 0.520 223 D N 2.018 121.825 120.400 -0.987 0.000 3.418 223 D HA -0.202 4.438 4.640 -0.000 0.000 0.228 223 D C -0.817 175.399 176.300 -0.139 0.000 0.866 223 D CA 2.011 55.569 54.000 -0.737 0.000 2.122 223 D CB -1.162 39.202 40.800 -0.727 0.000 1.232 223 D HN 0.761 nan 8.370 nan 0.000 0.566 224 K N -1.101 119.231 120.400 -0.113 0.000 2.772 224 K HA 0.647 4.966 4.320 -0.000 0.000 0.292 224 K C -1.717 174.865 176.600 -0.030 0.000 1.049 224 K CA -0.746 55.559 56.287 0.030 0.000 0.846 224 K CB 1.031 33.587 32.500 0.093 0.000 1.514 224 K HN 0.066 nan 8.250 nan 0.000 0.373 225 S N 0.771 116.481 115.700 0.017 0.000 2.557 225 S HA 0.709 5.178 4.470 -0.000 0.000 0.291 225 S C -0.702 173.898 174.600 0.001 0.000 1.116 225 S CA -0.827 57.371 58.200 -0.002 0.000 0.992 225 S CB 0.703 63.926 63.200 0.038 0.000 1.028 225 S HN 0.579 nan 8.310 nan 0.000 0.484 226 I N -0.842 119.709 120.570 -0.033 0.000 2.969 226 I HA 0.777 4.947 4.170 -0.000 0.000 0.307 226 I C -1.354 174.819 176.117 0.094 0.000 1.149 226 I CA -1.267 60.045 61.300 0.020 0.000 1.008 226 I CB 1.922 39.843 38.000 -0.132 0.000 1.232 226 I HN 0.269 nan 8.210 nan 0.000 0.435 227 V N 2.820 122.860 119.914 0.210 0.000 2.318 227 V HA 0.339 4.459 4.120 -0.000 0.000 0.271 227 V C -0.823 175.419 176.094 0.247 0.000 1.030 227 V CA 0.025 62.467 62.300 0.238 0.000 0.844 227 V CB 0.625 32.621 31.823 0.289 0.000 1.015 227 V HN 0.683 nan 8.190 nan 0.000 0.460 228 D N 3.166 123.659 120.400 0.155 0.000 2.454 228 D HA 0.223 4.863 4.640 -0.000 0.000 0.247 228 D C 1.215 177.568 176.300 0.089 0.000 1.129 228 D CA -0.121 53.949 54.000 0.118 0.000 0.877 228 D CB 1.862 42.700 40.800 0.063 0.000 1.082 228 D HN 0.502 nan 8.370 nan 0.000 0.537 229 S N 1.299 117.044 115.700 0.075 0.000 2.481 229 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 229 S C 1.887 176.509 174.600 0.035 0.000 0.996 229 S CA 0.563 58.792 58.200 0.049 0.000 0.942 229 S CB 0.068 63.269 63.200 0.001 0.000 0.768 229 S HN 0.396 nan 8.310 nan 0.000 0.520 230 G N 0.627 109.432 108.800 0.009 0.000 2.744 230 G HA2 0.209 4.169 3.960 -0.000 0.000 0.211 230 G HA3 0.209 4.169 3.960 -0.000 0.000 0.211 230 G C 0.244 175.131 174.900 -0.022 0.000 1.143 230 G CA 0.319 45.395 45.100 -0.039 0.000 0.788 230 G HN 0.500 nan 8.290 nan 0.000 0.534 231 T N -0.126 114.438 114.554 0.017 0.000 2.823 231 T HA 0.406 4.756 4.350 -0.000 0.000 0.279 231 T C 1.150 175.875 174.700 0.042 0.000 0.998 231 T CA -0.410 61.702 62.100 0.020 0.000 0.994 231 T CB 2.044 70.920 68.868 0.013 0.000 0.960 231 T HN -0.049 nan 8.240 nan 0.000 0.448 232 T N 2.816 117.393 114.554 0.038 0.000 2.770 232 T HA 0.016 4.366 4.350 -0.000 0.000 0.258 232 T C 1.103 175.828 174.700 0.042 0.000 1.039 232 T CA 0.719 62.852 62.100 0.054 0.000 1.143 232 T CB -0.116 68.779 68.868 0.045 0.000 0.866 232 T HN 0.410 nan 8.240 nan 0.000 0.428 233 N N 1.078 119.786 118.700 0.012 0.000 2.317 233 N HA 0.250 4.990 4.740 -0.000 0.000 0.245 233 N C -0.638 174.866 175.510 -0.010 0.000 1.294 233 N CA -0.384 52.657 53.050 -0.015 0.000 0.924 233 N CB 0.200 38.656 38.487 -0.052 0.000 1.186 233 N HN 0.166 nan 8.380 nan 0.000 0.495 234 L N 1.388 122.592 121.223 -0.031 0.000 2.265 234 L HA 0.338 4.678 4.340 -0.000 0.000 0.288 234 L C -0.471 176.380 176.870 -0.031 0.000 1.058 234 L CA -0.515 54.314 54.840 -0.018 0.000 0.809 234 L CB 0.188 42.231 42.059 -0.027 0.000 1.179 234 L HN 0.337 nan 8.230 nan 0.000 0.429 235 R N 6.758 127.243 120.500 -0.025 0.000 2.338 235 R HA 0.579 4.919 4.340 -0.000 0.000 0.317 235 R C -1.130 175.167 176.300 -0.005 0.000 0.968 235 R CA -0.708 55.369 56.100 -0.038 0.000 0.849 235 R CB 1.782 32.045 30.300 -0.062 0.000 1.128 235 R HN 0.633 nan 8.270 nan 0.000 0.448 236 L N 3.927 125.173 121.223 0.038 0.000 2.362 236 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 236 L C -2.288 174.642 176.870 0.100 0.000 1.002 236 L CA -2.584 52.317 54.840 0.102 0.000 0.818 236 L CB 2.292 44.475 42.059 0.206 0.000 1.298 236 L HN 0.193 nan 8.230 nan 0.000 0.420 237 P HA -0.017 nan 4.420 nan 0.000 0.268 237 P C 0.283 177.682 177.300 0.166 0.000 1.208 237 P CA -0.122 63.055 63.100 0.128 0.000 0.777 237 P CB 0.702 32.516 31.700 0.189 0.000 0.875 238 K N 2.936 123.420 120.400 0.141 0.000 2.015 238 K HA -0.284 4.036 4.320 -0.000 0.000 0.220 238 K C 1.524 178.232 176.600 0.180 0.000 1.055 238 K CA 2.139 58.518 56.287 0.153 0.000 0.951 238 K CB -0.278 32.284 32.500 0.104 0.000 0.725 238 K HN 0.250 nan 8.250 nan 0.000 0.449 239 K N 0.064 120.530 120.400 0.110 0.000 2.074 239 K HA -0.151 4.168 4.320 -0.000 0.000 0.209 239 K C 2.118 178.776 176.600 0.097 0.000 1.048 239 K CA 1.843 58.173 56.287 0.072 0.000 0.926 239 K CB -0.181 32.324 32.500 0.007 0.000 0.713 239 K HN 0.076 nan 8.250 nan 0.000 0.444 240 V N 1.001 120.999 119.914 0.139 0.000 2.358 240 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 240 V C 1.996 178.178 176.094 0.147 0.000 1.047 240 V CA 1.612 64.011 62.300 0.166 0.000 1.035 240 V CB -0.563 31.398 31.823 0.231 0.000 0.658 240 V HN 0.216 nan 8.190 nan 0.000 0.452 241 F N 1.546 121.527 119.950 0.052 0.000 2.126 241 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 241 F C 2.338 178.165 175.800 0.044 0.000 1.096 241 F CA 2.129 60.156 58.000 0.046 0.000 1.255 241 F CB -0.201 38.828 39.000 0.047 0.000 0.997 241 F HN 0.251 nan 8.300 nan 0.000 0.479 242 E N 0.086 120.300 120.200 0.024 0.000 2.107 242 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 242 E C 2.378 178.896 176.600 -0.137 0.000 0.982 242 E CA 0.870 57.219 56.400 -0.085 0.000 0.809 242 E CB -0.394 29.330 29.700 0.040 0.000 0.756 242 E HN 0.500 nan 8.360 nan 0.000 0.459 243 A N 1.740 124.519 122.820 -0.068 0.000 1.873 243 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 243 A C 2.426 179.948 177.584 -0.104 0.000 1.186 243 A CA 1.504 53.505 52.037 -0.060 0.000 0.616 243 A CB -0.700 18.301 19.000 0.001 0.000 0.823 243 A HN 0.275 nan 8.150 nan 0.000 0.442 244 A N -0.355 122.395 122.820 -0.116 0.000 1.851 244 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 244 A C 2.240 179.705 177.584 -0.198 0.000 1.195 244 A CA 2.095 54.053 52.037 -0.133 0.000 0.622 244 A CB -1.224 17.703 19.000 -0.121 0.000 0.831 244 A HN 0.460 nan 8.150 nan 0.000 0.444 245 V N 0.439 120.145 119.914 -0.347 0.000 2.332 245 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 245 V C 2.577 178.405 176.094 -0.443 0.000 1.055 245 V CA 2.557 64.593 62.300 -0.439 0.000 1.038 245 V CB -0.755 30.697 31.823 -0.618 0.000 0.651 245 V HN 0.727 nan 8.190 nan 0.000 0.450 246 K N -0.171 120.035 120.400 -0.324 0.000 2.032 246 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 246 K C 2.501 178.982 176.600 -0.198 0.000 1.048 246 K CA 1.998 58.134 56.287 -0.252 0.000 0.927 246 K CB -0.376 32.027 32.500 -0.162 0.000 0.712 246 K HN 0.387 nan 8.250 nan 0.000 0.441 247 S N 0.399 116.013 115.700 -0.144 0.000 2.368 247 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 247 S C 1.901 176.461 174.600 -0.066 0.000 1.030 247 S CA 1.256 59.407 58.200 -0.082 0.000 0.999 247 S CB -0.243 62.929 63.200 -0.047 0.000 0.844 247 S HN 0.350 nan 8.310 nan 0.000 0.459 248 I N 0.950 121.468 120.570 -0.087 0.000 2.286 248 I HA -0.181 3.988 4.170 -0.000 0.000 0.248 248 I C 2.563 178.653 176.117 -0.045 0.000 1.115 248 I CA 1.166 62.473 61.300 0.011 0.000 1.392 248 I CB -0.294 37.755 38.000 0.081 0.000 1.065 248 I HN 0.256 nan 8.210 nan 0.000 0.418 249 K N 0.967 121.169 120.400 -0.329 0.000 2.002 249 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 249 K C 2.319 178.874 176.600 -0.075 0.000 1.048 249 K CA 1.617 57.702 56.287 -0.338 0.000 0.930 249 K CB -0.295 31.864 32.500 -0.569 0.000 0.714 249 K HN 0.298 nan 8.250 nan 0.000 0.438 250 A N 1.451 124.218 122.820 -0.089 0.000 1.908 250 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 250 A C 2.356 179.940 177.584 -0.001 0.000 1.181 250 A CA 2.029 54.044 52.037 -0.036 0.000 0.627 250 A CB -0.787 18.187 19.000 -0.043 0.000 0.818 250 A HN 0.377 nan 8.150 nan 0.000 0.445 251 A N 0.051 122.878 122.820 0.012 0.000 1.908 251 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 251 A C 2.184 179.772 177.584 0.006 0.000 1.181 251 A CA 2.205 54.260 52.037 0.031 0.000 0.627 251 A CB -0.730 18.314 19.000 0.075 0.000 0.818 251 A HN 1.138 nan 8.150 nan 0.000 0.445 252 S N -0.347 115.361 115.700 0.012 0.000 2.583 252 S HA 0.142 4.611 4.470 -0.000 0.000 0.239 252 S C 1.179 175.841 174.600 0.103 0.000 0.966 252 S CA 0.573 58.755 58.200 -0.029 0.000 0.973 252 S CB -0.366 62.722 63.200 -0.187 0.000 0.794 252 S HN 0.799 nan 8.310 nan 0.000 0.463 253 S N 0.447 116.188 115.700 0.069 0.000 2.584 253 S HA -0.094 4.376 4.470 -0.000 0.000 0.240 253 S C 1.457 176.075 174.600 0.030 0.000 0.975 253 S CA 1.076 59.316 58.200 0.066 0.000 0.949 253 S CB -1.033 62.183 63.200 0.026 0.000 0.761 253 S HN 0.481 nan 8.310 nan 0.000 0.536 254 T N 1.725 116.284 114.554 0.009 0.000 2.867 254 T HA 0.062 4.412 4.350 -0.000 0.000 0.268 254 T C 0.500 175.177 174.700 -0.038 0.000 1.057 254 T CA 0.979 63.068 62.100 -0.018 0.000 1.136 254 T CB -0.106 68.744 68.868 -0.031 0.000 0.874 254 T HN 0.654 nan 8.240 nan 0.000 0.466 255 E N 0.710 120.879 120.200 -0.051 0.000 2.299 255 E HA 0.424 4.773 4.350 -0.000 0.000 0.265 255 E C -0.854 175.561 176.600 -0.308 0.000 0.911 255 E CA -0.851 55.432 56.400 -0.195 0.000 0.789 255 E CB 1.729 31.288 29.700 -0.236 0.000 1.246 255 E HN 0.270 nan 8.360 nan 0.000 0.427 256 K N 1.226 121.366 120.400 -0.433 0.000 2.221 256 K HA 0.607 4.927 4.320 -0.000 0.000 0.258 256 K C -1.191 175.085 176.600 -0.538 0.000 0.944 256 K CA -0.626 55.491 56.287 -0.283 0.000 0.823 256 K CB 1.159 33.606 32.500 -0.087 0.000 1.113 256 K HN 0.212 nan 8.250 nan 0.000 0.431 257 F N 1.145 121.177 119.950 0.136 0.000 2.577 257 F HA 0.453 4.980 4.527 -0.000 0.000 0.318 257 F C -2.084 173.785 175.800 0.116 0.000 1.065 257 F CA -2.558 55.432 58.000 -0.018 0.000 0.929 257 F CB 1.102 39.918 39.000 -0.307 0.000 1.237 257 F HN 0.479 nan 8.300 nan 0.000 0.468 258 P HA 0.073 nan 4.420 nan 0.000 0.272 258 P C -0.064 177.423 177.300 0.311 0.000 1.223 258 P CA -0.087 63.140 63.100 0.211 0.000 0.784 258 P CB 1.156 32.931 31.700 0.125 0.000 0.923 259 D N 2.025 122.608 120.400 0.305 0.000 2.182 259 D HA -0.116 4.523 4.640 -0.000 0.000 0.201 259 D C 2.109 178.580 176.300 0.285 0.000 0.986 259 D CA 1.742 55.957 54.000 0.358 0.000 0.847 259 D CB -0.575 40.370 40.800 0.241 0.000 0.942 259 D HN 0.640 nan 8.370 nan 0.000 0.467 260 G N 0.168 109.088 108.800 0.200 0.000 2.462 260 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 260 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 260 G C 1.417 176.401 174.900 0.140 0.000 1.121 260 G CA 0.284 45.477 45.100 0.154 0.000 0.758 260 G HN 0.253 nan 8.290 nan 0.000 0.559 261 F N 0.464 120.387 119.950 -0.045 0.000 2.084 261 F HA 0.017 4.544 4.527 -0.000 0.000 0.296 261 F C 2.265 177.934 175.800 -0.219 0.000 1.111 261 F CA 1.067 58.936 58.000 -0.219 0.000 1.224 261 F CB -0.461 38.249 39.000 -0.483 0.000 0.991 261 F HN 0.222 nan 8.300 nan 0.000 0.471 262 W N 0.534 121.725 121.300 -0.183 0.000 2.421 262 W HA -0.054 4.605 4.660 -0.000 0.000 0.270 262 W C 1.855 178.437 176.519 0.105 0.000 1.233 262 W CA 0.474 57.629 57.345 -0.316 0.000 1.226 262 W CB -0.495 28.872 29.460 -0.156 0.000 1.121 262 W HN 0.021 nan 8.180 nan 0.000 0.579 263 L N 0.192 121.577 121.223 0.271 0.000 2.591 263 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 263 L C 1.913 178.877 176.870 0.157 0.000 1.133 263 L CA 0.680 55.671 54.840 0.252 0.000 0.880 263 L CB -0.737 41.435 42.059 0.188 0.000 1.033 263 L HN 0.255 nan 8.230 nan 0.000 0.450 264 G N -0.060 108.801 108.800 0.101 0.000 2.159 264 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 264 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 264 G C 0.681 175.612 174.900 0.051 0.000 0.977 264 G CA 0.666 45.798 45.100 0.053 0.000 0.652 264 G HN 0.441 nan 8.290 nan 0.000 0.531 265 E N 0.183 120.423 120.200 0.066 0.000 2.013 265 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 265 E C 1.537 178.183 176.600 0.076 0.000 0.973 265 E CA 0.966 57.407 56.400 0.069 0.000 0.842 265 E CB -0.136 29.610 29.700 0.076 0.000 0.801 265 E HN 0.797 nan 8.360 nan 0.000 0.476 266 Q N 1.592 121.448 119.800 0.095 0.000 2.259 266 Q HA 0.355 4.695 4.340 -0.000 0.000 0.246 266 Q C -0.396 175.700 176.000 0.160 0.000 0.920 266 Q CA -0.789 55.072 55.803 0.097 0.000 0.895 266 Q CB 0.995 29.780 28.738 0.077 0.000 1.220 266 Q HN 0.070 nan 8.270 nan 0.000 0.439 267 L N 0.256 121.552 121.223 0.122 0.000 2.469 267 L HA 0.713 5.053 4.340 -0.000 0.000 0.253 267 L C -0.353 176.537 176.870 0.032 0.000 1.143 267 L CA -0.859 54.077 54.840 0.159 0.000 0.804 267 L CB 0.354 42.468 42.059 0.092 0.000 1.214 267 L HN 0.474 nan 8.230 nan 0.000 0.476 268 V N -1.278 118.599 119.914 -0.061 0.000 2.769 268 V HA 0.684 4.804 4.120 -0.000 0.000 0.312 268 V C -0.517 175.363 176.094 -0.357 0.000 1.061 268 V CA -0.327 61.748 62.300 -0.374 0.000 0.931 268 V CB 1.788 33.151 31.823 -0.768 0.000 1.010 268 V HN 1.073 nan 8.190 nan 0.000 0.433 269 C N 2.384 121.354 119.300 -0.550 0.000 2.898 269 C HA 0.742 5.201 4.460 -0.000 0.000 0.304 269 C C -1.121 173.554 174.990 -0.525 0.000 1.237 269 C CA -1.026 57.778 59.018 -0.358 0.000 1.529 269 C CB 1.833 29.456 27.740 -0.195 0.000 2.021 269 C HN 0.875 nan 8.230 nan 0.000 0.474 270 W N 0.491 121.810 121.300 0.032 0.000 3.033 270 W HA 0.393 5.052 4.660 -0.001 0.000 0.336 270 W C -0.583 175.943 176.519 0.011 0.000 1.173 270 W CA -0.499 56.857 57.345 0.019 0.000 1.185 270 W CB 1.198 30.673 29.460 0.025 0.000 1.425 270 W HN 0.708 nan 8.180 nan 0.000 0.536 271 Q N 1.426 121.366 119.800 0.232 0.000 2.269 271 Q HA 0.215 4.555 4.340 -0.000 0.000 0.300 271 Q C 0.591 176.676 176.000 0.142 0.000 1.070 271 Q CA 0.258 56.142 55.803 0.134 0.000 0.957 271 Q CB 0.579 29.378 28.738 0.102 0.000 1.131 271 Q HN 0.402 nan 8.270 nan 0.000 0.377 272 A N 2.777 125.658 122.820 0.102 0.000 2.616 272 A HA 0.120 4.440 4.320 -0.000 0.000 0.242 272 A C 1.400 179.047 177.584 0.106 0.000 0.987 272 A CA 0.902 52.998 52.037 0.098 0.000 0.800 272 A CB -0.662 18.376 19.000 0.064 0.000 0.883 272 A HN 1.194 nan 8.150 nan 0.000 0.496 273 G N 1.633 110.511 108.800 0.129 0.000 2.175 273 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.265 273 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.265 273 G C 0.796 175.753 174.900 0.095 0.000 0.979 273 G CA 1.471 46.646 45.100 0.124 0.000 0.663 273 G HN 2.372 nan 8.290 nan 0.000 0.533 274 T N -1.967 112.634 114.554 0.078 0.000 3.174 274 T HA 0.431 4.780 4.350 -0.000 0.000 0.269 274 T C 0.757 175.339 174.700 -0.195 0.000 1.017 274 T CA 0.767 62.868 62.100 0.001 0.000 0.899 274 T CB 0.314 69.213 68.868 0.053 0.000 1.077 274 T HN 0.363 nan 8.240 nan 0.000 0.552 275 T N 5.902 120.291 114.554 -0.275 0.000 2.831 275 T HA 0.173 4.523 4.350 -0.000 0.000 0.291 275 T C -2.053 172.061 174.700 -0.975 0.000 0.981 275 T CA -0.705 60.879 62.100 -0.859 0.000 1.174 275 T CB 0.689 68.940 68.868 -1.029 0.000 0.929 275 T HN 0.240 nan 8.240 nan 0.000 0.532 276 P HA 0.064 nan 4.420 nan 0.000 0.232 276 P C 0.283 177.420 177.300 -0.272 0.000 1.738 276 P CA -0.271 62.494 63.100 -0.558 0.000 0.948 276 P CB -0.333 31.047 31.700 -0.533 0.000 1.943 277 W N 2.303 123.584 121.300 -0.032 0.000 2.304 277 W HA -0.310 4.350 4.660 -0.001 0.000 0.315 277 W C 2.191 178.830 176.519 0.200 0.000 1.233 277 W CA 1.575 58.982 57.345 0.103 0.000 1.261 277 W CB -1.525 27.952 29.460 0.028 0.000 1.150 277 W HN 0.282 nan 8.180 nan 0.000 0.494 278 N N 1.618 120.587 118.700 0.449 0.000 2.258 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.187 278 N C 1.364 177.012 175.510 0.229 0.000 1.012 278 N CA 2.282 55.596 53.050 0.440 0.000 0.870 278 N CB -1.290 37.310 38.487 0.189 0.000 0.977 278 N HN 0.457 nan 8.380 nan 0.000 0.434 279 I N -4.771 115.827 120.570 0.048 0.000 3.419 279 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 279 I C -0.461 175.558 176.117 -0.164 0.000 1.268 279 I CA -0.159 61.075 61.300 -0.108 0.000 1.414 279 I CB -0.214 37.629 38.000 -0.262 0.000 1.074 279 I HN -0.172 nan 8.210 nan 0.000 0.457 280 F N 4.413 124.489 119.950 0.211 0.000 2.410 280 F HA 0.538 5.065 4.527 -0.001 0.000 0.349 280 F C -2.005 173.966 175.800 0.285 0.000 1.117 280 F CA -2.892 55.279 58.000 0.286 0.000 1.104 280 F CB 0.588 39.764 39.000 0.293 0.000 1.122 280 F HN -0.112 nan 8.300 nan 0.000 0.483 281 P HA 0.218 nan 4.420 nan 0.000 0.276 281 P C -0.835 176.686 177.300 0.368 0.000 1.252 281 P CA -0.267 63.032 63.100 0.332 0.000 0.802 281 P CB 1.613 33.459 31.700 0.245 0.000 1.035 282 V N -0.829 119.223 119.914 0.231 0.000 2.617 282 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 282 V C 0.122 176.314 176.094 0.163 0.000 1.048 282 V CA -0.772 61.643 62.300 0.191 0.000 0.964 282 V CB 0.719 32.593 31.823 0.084 0.000 1.004 282 V HN 0.292 nan 8.190 nan 0.000 0.466 283 I N 2.834 123.496 120.570 0.153 0.000 2.406 283 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 283 I C 0.103 176.217 176.117 -0.005 0.000 0.999 283 I CA -0.103 61.236 61.300 0.064 0.000 1.124 283 I CB 1.936 39.964 38.000 0.046 0.000 1.289 283 I HN 0.670 nan 8.210 nan 0.000 0.441 284 S N 7.034 122.702 115.700 -0.052 0.000 2.437 284 S HA 0.607 5.076 4.470 -0.000 0.000 0.305 284 S C -0.388 174.094 174.600 -0.195 0.000 1.109 284 S CA -0.585 57.520 58.200 -0.159 0.000 1.099 284 S CB 0.958 64.056 63.200 -0.170 0.000 1.004 284 S HN 0.350 nan 8.310 nan 0.000 0.475 285 L N 4.042 125.072 121.223 -0.322 0.000 2.298 285 L HA 0.466 4.805 4.340 -0.000 0.000 0.284 285 L C -1.273 175.300 176.870 -0.496 0.000 1.013 285 L CA -0.751 53.887 54.840 -0.337 0.000 0.824 285 L CB 0.613 42.471 42.059 -0.337 0.000 1.221 285 L HN 0.604 nan 8.230 nan 0.000 0.418 286 Y N 4.065 124.066 120.300 -0.499 0.000 2.350 286 Y HA 0.461 5.011 4.550 -0.001 0.000 0.340 286 Y C 0.202 175.761 175.900 -0.568 0.000 1.006 286 Y CA -0.274 57.481 58.100 -0.575 0.000 1.166 286 Y CB 1.000 39.173 38.460 -0.477 0.000 1.168 286 Y HN 0.375 nan 8.280 nan 0.000 0.502 287 L N 4.080 124.856 121.223 -0.744 0.000 2.334 287 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 287 L C 0.161 176.769 176.870 -0.437 0.000 1.020 287 L CA -1.137 53.309 54.840 -0.657 0.000 0.812 287 L CB 1.590 43.075 42.059 -0.958 0.000 1.264 287 L HN 0.602 nan 8.230 nan 0.000 0.439 288 M N 1.079 120.587 119.600 -0.153 0.000 2.248 288 M HA 0.221 4.700 4.480 -0.000 0.000 0.345 288 M C 0.491 176.883 176.300 0.153 0.000 1.243 288 M CA 0.297 55.606 55.300 0.016 0.000 1.090 288 M CB 0.860 33.496 32.600 0.060 0.000 1.683 288 M HN 0.719 nan 8.290 nan 0.000 0.450 289 G N 3.131 112.073 108.800 0.237 0.000 2.509 289 G HA2 0.236 4.195 3.960 -0.000 0.000 0.269 289 G HA3 0.236 4.195 3.960 -0.000 0.000 0.269 289 G C -0.105 174.961 174.900 0.277 0.000 1.416 289 G CA -0.345 44.986 45.100 0.384 0.000 1.052 289 G HN 0.889 nan 8.290 nan 0.000 0.542 290 E N -1.848 118.506 120.200 0.256 0.000 2.476 290 E HA 0.227 4.577 4.350 -0.000 0.000 0.199 290 E C -0.051 176.622 176.600 0.123 0.000 1.021 290 E CA -0.108 56.390 56.400 0.163 0.000 0.907 290 E CB 1.078 30.854 29.700 0.126 0.000 0.974 290 E HN 0.053 nan 8.360 nan 0.000 0.489 291 V N 0.926 120.926 119.914 0.144 0.000 2.960 291 V HA 0.170 4.290 4.120 -0.000 0.000 0.315 291 V C 0.253 176.411 176.094 0.108 0.000 1.087 291 V CA -0.878 61.489 62.300 0.112 0.000 0.982 291 V CB 2.122 34.015 31.823 0.116 0.000 1.039 291 V HN -0.000 nan 8.190 nan 0.000 0.437 292 T N 3.906 118.508 114.554 0.081 0.000 2.908 292 T HA 0.035 4.385 4.350 -0.000 0.000 0.301 292 T C 0.767 175.515 174.700 0.080 0.000 1.019 292 T CA 0.483 62.626 62.100 0.071 0.000 1.152 292 T CB -0.328 68.571 68.868 0.053 0.000 0.966 292 T HN 0.813 nan 8.240 nan 0.000 0.540 293 N N 1.500 120.246 118.700 0.076 0.000 2.693 293 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 293 N C -0.243 175.331 175.510 0.106 0.000 1.119 293 N CA 0.840 53.936 53.050 0.078 0.000 0.717 293 N CB -0.561 37.963 38.487 0.062 0.000 1.071 293 N HN 0.712 nan 8.380 nan 0.000 0.555 294 Q N 0.688 120.568 119.800 0.134 0.000 2.340 294 Q HA 0.568 4.908 4.340 -0.000 0.000 0.268 294 Q C -0.480 175.654 176.000 0.222 0.000 1.031 294 Q CA -0.289 55.626 55.803 0.187 0.000 0.804 294 Q CB 1.910 30.771 28.738 0.205 0.000 1.286 294 Q HN 0.289 nan 8.270 nan 0.000 0.448 295 S N 2.827 118.677 115.700 0.250 0.000 2.851 295 S HA 0.929 5.399 4.470 -0.000 0.000 0.317 295 S C -0.674 174.095 174.600 0.282 0.000 1.144 295 S CA -0.565 57.759 58.200 0.206 0.000 0.862 295 S CB 1.449 64.698 63.200 0.082 0.000 1.259 295 S HN 0.643 nan 8.310 nan 0.000 0.564 296 F N -1.535 118.366 119.950 -0.082 0.000 2.741 296 F HA 0.834 5.361 4.527 -0.001 0.000 0.313 296 F C -1.054 174.382 175.800 -0.607 0.000 1.153 296 F CA -1.190 56.597 58.000 -0.354 0.000 0.931 296 F CB 1.210 39.862 39.000 -0.581 0.000 1.335 296 F HN 0.989 nan 8.300 nan 0.000 0.460 297 R N 2.271 122.355 120.500 -0.694 0.000 2.795 297 R HA 0.872 5.212 4.340 -0.000 0.000 0.275 297 R C -1.622 174.330 176.300 -0.581 0.000 0.981 297 R CA -0.945 54.567 56.100 -0.979 0.000 0.917 297 R CB 2.668 31.946 30.300 -1.703 0.000 1.202 297 R HN 1.032 nan 8.270 nan 0.000 0.469 298 I N -0.817 119.385 120.570 -0.613 0.000 2.474 298 I HA 0.521 4.691 4.170 -0.000 0.000 0.294 298 I C -1.056 174.883 176.117 -0.297 0.000 1.005 298 I CA -0.761 60.233 61.300 -0.510 0.000 1.113 298 I CB 2.617 40.080 38.000 -0.895 0.000 1.289 298 I HN 0.510 nan 8.210 nan 0.000 0.436 299 T N 6.831 121.361 114.554 -0.040 0.000 2.779 299 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 299 T C -0.273 174.532 174.700 0.175 0.000 0.987 299 T CA -0.233 61.879 62.100 0.021 0.000 0.966 299 T CB 1.262 70.123 68.868 -0.011 0.000 0.933 299 T HN 0.355 nan 8.240 nan 0.000 0.442 300 I N 3.578 124.227 120.570 0.132 0.000 2.353 300 I HA 0.345 4.515 4.170 -0.000 0.000 0.293 300 I C 0.142 176.312 176.117 0.089 0.000 0.992 300 I CA -0.429 60.959 61.300 0.147 0.000 1.268 300 I CB 0.822 38.940 38.000 0.196 0.000 1.387 300 I HN 0.431 nan 8.210 nan 0.000 0.478 301 L N 7.789 128.986 121.223 -0.043 0.000 2.421 301 L HA 0.392 4.731 4.340 -0.000 0.000 0.263 301 L C -1.085 175.591 176.870 -0.324 0.000 1.122 301 L CA -1.493 53.256 54.840 -0.151 0.000 0.804 301 L CB 0.733 42.633 42.059 -0.264 0.000 1.150 301 L HN 0.437 nan 8.230 nan 0.000 0.457 302 P HA -0.181 nan 4.420 nan 0.000 0.219 302 P C 0.879 177.772 177.300 -0.679 0.000 1.146 302 P CA 1.159 63.651 63.100 -1.013 0.000 0.808 302 P CB 0.329 31.877 31.700 -0.253 0.000 0.779 303 Q N -0.185 119.235 119.800 -0.634 0.000 2.291 303 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 303 Q C 2.403 178.214 176.000 -0.315 0.000 0.976 303 Q CA 1.463 56.852 55.803 -0.690 0.000 0.875 303 Q CB -0.586 27.641 28.738 -0.852 0.000 0.927 303 Q HN 0.461 nan 8.270 nan 0.000 0.450 304 Q N -1.372 118.256 119.800 -0.286 0.000 2.204 304 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 304 Q C 0.959 176.961 176.000 0.004 0.000 0.946 304 Q CA 0.930 56.666 55.803 -0.111 0.000 0.859 304 Q CB 0.230 28.930 28.738 -0.064 0.000 0.946 304 Q HN 0.673 nan 8.270 nan 0.000 0.474 305 Y N -1.708 118.596 120.300 0.008 0.000 2.457 305 Y HA 0.390 4.940 4.550 -0.000 0.000 0.263 305 Y C 0.008 175.916 175.900 0.013 0.000 1.164 305 Y CA -0.268 57.824 58.100 -0.014 0.000 1.274 305 Y CB 0.046 38.488 38.460 -0.030 0.000 1.097 305 Y HN -0.174 nan 8.280 nan 0.000 0.523 306 L N 2.973 124.239 121.223 0.072 0.000 2.337 306 L HA 0.443 4.783 4.340 -0.000 0.000 0.269 306 L C -0.104 176.915 176.870 0.249 0.000 1.018 306 L CA -0.612 54.315 54.840 0.144 0.000 0.876 306 L CB 1.191 43.186 42.059 -0.108 0.000 1.236 306 L HN 0.102 nan 8.230 nan 0.000 0.436 307 R N 4.178 124.835 120.500 0.261 0.000 2.389 307 R HA 0.329 4.669 4.340 -0.000 0.000 0.295 307 R C -2.433 174.065 176.300 0.330 0.000 1.075 307 R CA -1.301 54.949 56.100 0.249 0.000 1.005 307 R CB 0.994 31.383 30.300 0.148 0.000 0.987 307 R HN 0.183 nan 8.270 nan 0.000 0.452 308 P HA 0.048 nan 4.420 nan 0.000 0.276 308 P C -1.071 176.236 177.300 0.012 0.000 1.230 308 P CA -0.289 62.866 63.100 0.091 0.000 0.776 308 P CB 1.234 32.993 31.700 0.098 0.000 0.888 317 D N 1.235 121.632 120.400 -0.006 0.000 2.432 317 D HA 0.306 4.946 4.640 -0.000 0.000 0.258 317 D C -1.054 175.237 176.300 -0.014 0.000 1.146 317 D CA -0.043 53.962 54.000 0.009 0.000 1.015 317 D CB 0.579 41.377 40.800 -0.003 0.000 1.107 317 D HN 0.169 nan 8.370 nan 0.000 0.529 318 D N 0.179 120.589 120.400 0.018 0.000 2.280 318 D HA 0.286 4.925 4.640 -0.000 0.000 0.236 318 D C -0.516 175.654 176.300 -0.216 0.000 1.082 318 D CA -0.115 53.830 54.000 -0.091 0.000 0.834 318 D CB 0.722 41.577 40.800 0.091 0.000 1.100 318 D HN 0.151 nan 8.370 nan 0.000 0.486 319 C N 2.817 121.857 119.300 -0.432 0.000 2.493 319 C HA 0.687 5.147 4.460 -0.000 0.000 0.326 319 C C -0.616 174.048 174.990 -0.543 0.000 1.200 319 C CA -0.776 58.047 59.018 -0.327 0.000 1.739 319 C CB 0.063 27.708 27.740 -0.158 0.000 2.300 319 C HN 0.540 nan 8.230 nan 0.000 0.500 320 Y N -0.280 120.074 120.300 0.090 0.000 2.615 320 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 320 Y C -0.066 175.947 175.900 0.188 0.000 1.089 320 Y CA -1.017 57.169 58.100 0.144 0.000 1.049 320 Y CB 1.263 39.832 38.460 0.182 0.000 1.296 320 Y HN 0.441 nan 8.280 nan 0.000 0.470 321 K N 1.072 121.686 120.400 0.357 0.000 2.324 321 K HA 0.378 4.698 4.320 -0.000 0.000 0.253 321 K C -1.552 175.185 176.600 0.230 0.000 0.932 321 K CA -0.921 55.522 56.287 0.260 0.000 0.799 321 K CB 1.670 34.257 32.500 0.144 0.000 1.154 321 K HN 0.549 nan 8.250 nan 0.000 0.425 322 F N 2.514 122.354 119.950 -0.185 0.000 2.533 322 F HA 0.120 4.646 4.527 -0.000 0.000 0.378 322 F C 0.483 176.244 175.800 -0.065 0.000 1.070 322 F CA -0.426 57.401 58.000 -0.287 0.000 1.172 322 F CB 0.448 38.917 39.000 -0.885 0.000 1.085 322 F HN 0.608 nan 8.300 nan 0.000 0.552 323 A N 7.931 130.613 122.820 -0.230 0.000 2.640 323 A HA 0.397 4.717 4.320 -0.000 0.000 0.282 323 A C 0.101 177.486 177.584 -0.332 0.000 1.357 323 A CA -0.197 51.725 52.037 -0.192 0.000 0.946 323 A CB -1.107 17.882 19.000 -0.018 0.000 1.065 323 A HN 0.621 nan 8.150 nan 0.000 0.541 324 I N 1.153 121.289 120.570 -0.723 0.000 2.447 324 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 324 I C -0.247 175.790 176.117 -0.133 0.000 1.023 324 I CA -0.344 60.673 61.300 -0.471 0.000 1.083 324 I CB 2.300 39.912 38.000 -0.645 0.000 1.245 324 I HN 0.276 nan 8.210 nan 0.000 0.434 325 S N 4.460 120.127 115.700 -0.055 0.000 2.627 325 S HA 0.568 5.037 4.470 -0.000 0.000 0.283 325 S C -0.905 173.324 174.600 -0.620 0.000 1.127 325 S CA -1.052 56.982 58.200 -0.275 0.000 0.863 325 S CB 1.845 64.929 63.200 -0.193 0.000 1.121 325 S HN 0.620 nan 8.310 nan 0.000 0.479 326 Q N 0.461 119.546 119.800 -1.191 0.000 2.306 326 Q HA 0.705 5.045 4.340 -0.000 0.000 0.241 326 Q C -0.342 175.460 176.000 -0.330 0.000 0.948 326 Q CA -0.621 54.705 55.803 -0.794 0.000 0.886 326 Q CB 1.137 29.367 28.738 -0.848 0.000 1.227 326 Q HN 0.600 nan 8.270 nan 0.000 0.457 327 S N 0.270 115.865 115.700 -0.175 0.000 2.634 327 S HA 0.480 4.950 4.470 -0.000 0.000 0.296 327 S C -0.281 174.277 174.600 -0.070 0.000 1.104 327 S CA -0.221 57.913 58.200 -0.111 0.000 0.920 327 S CB 1.671 64.813 63.200 -0.096 0.000 1.111 327 S HN 0.755 nan 8.310 nan 0.000 0.493 328 S N 0.245 115.902 115.700 -0.072 0.000 2.846 328 S HA 0.187 4.656 4.470 -0.000 0.000 0.249 328 S C 0.462 174.990 174.600 -0.119 0.000 1.028 328 S CA 0.301 58.467 58.200 -0.058 0.000 1.043 328 S CB -0.138 63.046 63.200 -0.027 0.000 0.990 328 S HN 0.923 nan 8.310 nan 0.000 0.564 329 T N -2.062 112.404 114.554 -0.146 0.000 3.337 329 T HA 0.623 4.972 4.350 -0.000 0.000 0.299 329 T C 0.841 175.401 174.700 -0.234 0.000 0.998 329 T CA 0.124 62.111 62.100 -0.188 0.000 0.948 329 T CB 0.090 68.868 68.868 -0.151 0.000 1.170 329 T HN 1.414 nan 8.240 nan 0.000 0.508 330 G N 1.056 109.717 108.800 -0.232 0.000 2.710 330 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.668 330 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.668 330 G C -0.431 174.402 174.900 -0.112 0.000 1.320 330 G CA -0.613 44.371 45.100 -0.194 0.000 0.860 330 G HN 0.494 nan 8.290 nan 0.000 0.538 331 T N -0.253 114.263 114.554 -0.063 0.000 2.918 331 T HA 0.492 4.842 4.350 -0.000 0.000 0.302 331 T C 0.304 174.967 174.700 -0.062 0.000 1.045 331 T CA 0.326 62.407 62.100 -0.032 0.000 1.114 331 T CB 1.291 70.162 68.868 0.006 0.000 0.965 331 T HN 1.218 nan 8.240 nan 0.000 0.540 332 V N 4.503 124.390 119.914 -0.045 0.000 2.419 332 V HA 0.268 4.387 4.120 -0.000 0.000 0.287 332 V C -0.081 176.012 176.094 -0.002 0.000 1.017 332 V CA -0.624 61.652 62.300 -0.041 0.000 0.844 332 V CB 1.326 33.117 31.823 -0.055 0.000 1.011 332 V HN 0.899 nan 8.190 nan 0.000 0.429 333 M N 4.428 124.043 119.600 0.026 0.000 2.618 333 M HA 0.294 4.774 4.480 -0.000 0.000 0.322 333 M C 1.155 177.503 176.300 0.079 0.000 1.471 333 M CA 0.337 55.670 55.300 0.056 0.000 1.450 333 M CB 0.182 32.832 32.600 0.083 0.000 1.444 333 M HN 0.796 nan 8.290 nan 0.000 0.471 334 G N 1.130 109.966 108.800 0.061 0.000 2.570 334 G HA2 0.368 4.328 3.960 -0.000 0.000 0.276 334 G HA3 0.368 4.328 3.960 -0.000 0.000 0.276 334 G C 0.918 175.875 174.900 0.096 0.000 1.346 334 G CA 0.023 45.164 45.100 0.068 0.000 1.034 334 G HN 0.759 nan 8.290 nan 0.000 0.512 335 A N -1.134 121.747 122.820 0.101 0.000 1.940 335 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 335 A C 2.555 180.214 177.584 0.124 0.000 1.176 335 A CA 2.855 54.968 52.037 0.125 0.000 0.631 335 A CB -0.878 18.244 19.000 0.204 0.000 0.814 335 A HN 1.323 nan 8.150 nan 0.000 0.446 336 V N -2.467 117.514 119.914 0.112 0.000 2.626 336 V HA -0.131 3.988 4.120 -0.000 0.000 0.252 336 V C 2.007 178.166 176.094 0.108 0.000 1.067 336 V CA 1.442 63.802 62.300 0.099 0.000 1.081 336 V CB -0.819 31.057 31.823 0.088 0.000 0.686 336 V HN 0.403 nan 8.190 nan 0.000 0.468 337 I N -0.116 120.536 120.570 0.137 0.000 2.406 337 I HA -0.004 4.166 4.170 -0.000 0.000 0.249 337 I C 2.515 178.823 176.117 0.318 0.000 1.122 337 I CA 1.616 63.039 61.300 0.205 0.000 1.431 337 I CB -0.773 37.324 38.000 0.161 0.000 1.087 337 I HN 0.344 nan 8.210 nan 0.000 0.424 338 M N -0.090 119.649 119.600 0.232 0.000 2.349 338 M HA -0.098 4.382 4.480 -0.000 0.000 0.266 338 M C 1.930 178.314 176.300 0.140 0.000 1.076 338 M CA 1.016 56.460 55.300 0.239 0.000 1.126 338 M CB -0.304 32.363 32.600 0.113 0.000 1.392 338 M HN 0.157 nan 8.290 nan 0.000 0.440 339 E N 0.472 120.701 120.200 0.048 0.000 2.130 339 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 339 E C 2.034 178.543 176.600 -0.153 0.000 0.998 339 E CA 1.207 57.584 56.400 -0.038 0.000 0.806 339 E CB -0.297 29.402 29.700 -0.002 0.000 0.738 339 E HN 0.628 nan 8.360 nan 0.000 0.459 340 G N -0.301 108.280 108.800 -0.366 0.000 2.744 340 G HA2 0.007 3.967 3.960 -0.000 0.000 0.211 340 G HA3 0.007 3.967 3.960 -0.000 0.000 0.211 340 G C 0.219 174.592 174.900 -0.879 0.000 1.143 340 G CA 0.167 44.812 45.100 -0.759 0.000 0.788 340 G HN 0.010 nan 8.290 nan 0.000 0.534 341 F N -2.681 117.309 119.950 0.066 0.000 2.679 341 F HA 0.568 5.095 4.527 -0.000 0.000 0.341 341 F C -0.885 174.968 175.800 0.088 0.000 1.095 341 F CA -1.903 56.151 58.000 0.090 0.000 1.004 341 F CB 1.161 40.248 39.000 0.144 0.000 1.388 341 F HN -0.152 nan 8.300 nan 0.000 0.505 342 Y N 1.767 122.134 120.300 0.111 0.000 2.369 342 Y HA 0.663 5.213 4.550 -0.000 0.000 0.337 342 Y C -1.114 174.622 175.900 -0.273 0.000 0.961 342 Y CA -1.681 56.373 58.100 -0.078 0.000 1.186 342 Y CB 0.774 39.180 38.460 -0.090 0.000 1.139 342 Y HN 0.301 nan 8.280 nan 0.000 0.494 343 V N 7.173 126.765 119.914 -0.537 0.000 2.370 343 V HA 0.399 4.518 4.120 -0.000 0.000 0.279 343 V C -0.474 174.999 176.094 -1.035 0.000 1.029 343 V CA -0.971 60.771 62.300 -0.930 0.000 0.870 343 V CB 1.210 32.506 31.823 -0.878 0.000 0.984 343 V HN 0.532 nan 8.190 nan 0.000 0.451 344 V N 5.463 124.717 119.914 -1.100 0.000 2.347 344 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 344 V C -0.385 175.195 176.094 -0.857 0.000 1.021 344 V CA -0.302 61.490 62.300 -0.847 0.000 0.847 344 V CB 1.054 32.498 31.823 -0.630 0.000 0.990 344 V HN 0.722 nan 8.190 nan 0.000 0.444 345 F N 2.627 122.100 119.950 -0.796 0.000 2.541 345 F HA 0.273 4.799 4.527 -0.001 0.000 0.351 345 F C 0.927 176.391 175.800 -0.559 0.000 1.209 345 F CA -0.467 56.993 58.000 -0.901 0.000 1.277 345 F CB 0.263 38.182 39.000 -1.803 0.000 1.632 345 F HN 0.437 nan 8.300 nan 0.000 0.619 346 D N 2.302 122.599 120.400 -0.173 0.000 2.545 346 D HA 0.059 4.698 4.640 -0.000 0.000 0.227 346 D C 1.501 177.829 176.300 0.046 0.000 1.150 346 D CA 0.229 54.202 54.000 -0.044 0.000 1.046 346 D CB 0.216 41.000 40.800 -0.027 0.000 1.098 346 D HN 0.418 nan 8.370 nan 0.000 0.502 347 R N 1.556 122.116 120.500 0.099 0.000 2.081 347 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 347 R C 2.152 178.568 176.300 0.193 0.000 1.131 347 R CA 1.500 57.748 56.100 0.247 0.000 0.960 347 R CB -0.104 30.378 30.300 0.303 0.000 0.856 347 R HN 0.356 nan 8.270 nan 0.000 0.436 348 A N 1.172 124.077 122.820 0.141 0.000 1.948 348 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 348 A C 1.606 179.224 177.584 0.057 0.000 1.177 348 A CA 1.386 53.483 52.037 0.100 0.000 0.636 348 A CB -0.218 18.830 19.000 0.080 0.000 0.815 348 A HN 0.245 nan 8.150 nan 0.000 0.449 349 R N -0.981 119.534 120.500 0.026 0.000 2.586 349 R HA 0.187 4.526 4.340 -0.000 0.000 0.336 349 R C -0.622 175.685 176.300 0.010 0.000 1.060 349 R CA -0.222 55.870 56.100 -0.014 0.000 1.079 349 R CB 0.169 30.412 30.300 -0.096 0.000 1.317 349 R HN 0.413 nan 8.270 nan 0.000 0.568 350 K N 1.982 122.424 120.400 0.070 0.000 3.540 350 K HA -0.264 4.055 4.320 -0.000 0.000 0.274 350 K C -0.515 176.151 176.600 0.109 0.000 0.890 350 K CA 1.049 57.401 56.287 0.109 0.000 0.701 350 K CB -1.281 31.262 32.500 0.071 0.000 1.523 350 K HN 0.527 nan 8.250 nan 0.000 0.450 351 R N -0.853 119.712 120.500 0.108 0.000 2.692 351 R HA 0.658 4.998 4.340 -0.000 0.000 0.269 351 R C -1.133 175.242 176.300 0.125 0.000 1.030 351 R CA -1.147 55.034 56.100 0.134 0.000 0.882 351 R CB 1.293 31.642 30.300 0.082 0.000 1.250 351 R HN 0.075 nan 8.270 nan 0.000 0.465 352 I N 1.044 121.695 120.570 0.135 0.000 2.465 352 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 352 I C 0.016 176.040 176.117 -0.154 0.000 1.014 352 I CA -0.974 60.235 61.300 -0.153 0.000 1.093 352 I CB 2.339 40.172 38.000 -0.278 0.000 1.267 352 I HN 0.878 nan 8.210 nan 0.000 0.431 353 G N 5.166 113.611 108.800 -0.592 0.000 2.388 353 G HA2 0.721 4.681 3.960 -0.000 0.000 0.330 353 G HA3 0.721 4.681 3.960 -0.000 0.000 0.330 353 G C -1.335 173.039 174.900 -0.876 0.000 1.142 353 G CA -0.219 44.279 45.100 -1.003 0.000 0.908 353 G HN 0.317 nan 8.290 nan 0.000 0.473 354 F N 0.411 120.011 119.950 -0.584 0.000 2.551 354 F HA 0.772 5.299 4.527 -0.001 0.000 0.316 354 F C 0.394 176.022 175.800 -0.286 0.000 1.089 354 F CA -0.551 57.216 58.000 -0.388 0.000 0.915 354 F CB 2.815 41.633 39.000 -0.303 0.000 1.186 354 F HN 0.731 nan 8.300 nan 0.000 0.456 355 A N 1.286 124.132 122.820 0.044 0.000 2.589 355 A HA 0.667 4.987 4.320 -0.000 0.000 0.296 355 A C -1.491 176.297 177.584 0.339 0.000 1.062 355 A CA -0.819 51.304 52.037 0.143 0.000 0.686 355 A CB 0.905 19.878 19.000 -0.046 0.000 1.282 355 A HN 0.462 nan 8.150 nan 0.000 0.404 356 V N 1.707 121.823 119.914 0.336 0.000 2.617 356 V HA 0.216 4.335 4.120 -0.000 0.000 0.304 356 V C 1.244 177.461 176.094 0.205 0.000 1.040 356 V CA 0.707 63.170 62.300 0.272 0.000 1.149 356 V CB 1.125 33.007 31.823 0.100 0.000 0.914 356 V HN 0.950 nan 8.190 nan 0.000 0.487 357 S N 3.797 119.578 115.700 0.134 0.000 2.601 357 S HA 0.465 4.935 4.470 -0.000 0.000 0.271 357 S C 1.322 175.963 174.600 0.068 0.000 1.305 357 S CA -0.100 58.162 58.200 0.104 0.000 1.022 357 S CB 1.461 64.697 63.200 0.060 0.000 0.940 357 S HN 0.965 nan 8.310 nan 0.000 0.525 358 A N 2.390 125.228 122.820 0.029 0.000 1.972 358 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 358 A C 1.860 179.505 177.584 0.101 0.000 1.169 358 A CA 1.589 53.647 52.037 0.035 0.000 0.635 358 A CB -1.277 17.705 19.000 -0.030 0.000 0.810 358 A HN 1.250 nan 8.150 nan 0.000 0.446 359 C N 0.761 120.090 119.300 0.048 0.000 2.293 359 C HA 0.448 4.908 4.460 -0.000 0.000 0.380 359 C C 0.867 175.837 174.990 -0.034 0.000 1.343 359 C CA -0.837 58.186 59.018 0.010 0.000 1.754 359 C CB -2.562 25.170 27.740 -0.014 0.000 2.265 359 C HN 0.620 nan 8.230 nan 0.000 0.579 360 H N -0.146 118.845 119.070 -0.131 0.000 2.822 360 H HA 0.408 4.964 4.556 -0.000 0.000 0.373 360 H C -0.204 174.965 175.328 -0.265 0.000 1.223 360 H CA -0.010 55.897 56.048 -0.234 0.000 1.436 360 H CB 0.322 29.923 29.762 -0.269 0.000 1.439 360 H HN 0.272 nan 8.280 nan 0.000 0.618 361 V N 1.783 121.477 119.914 -0.366 0.000 3.003 361 V HA 0.092 4.211 4.120 -0.000 0.000 0.305 361 V C 0.797 176.569 176.094 -0.537 0.000 1.078 361 V CA -0.237 61.829 62.300 -0.390 0.000 1.083 361 V CB 0.643 32.267 31.823 -0.332 0.000 1.039 361 V HN 0.768 nan 8.190 nan 0.000 0.481 362 H N 1.979 120.832 119.070 -0.362 0.000 2.670 362 H HA 0.601 5.157 4.556 -0.000 0.000 0.361 362 H C -1.192 173.950 175.328 -0.310 0.000 1.169 362 H CA -0.484 55.385 56.048 -0.298 0.000 1.198 362 H CB 2.260 31.861 29.762 -0.269 0.000 1.700 362 H HN 0.793 nan 8.280 nan 0.000 0.542 363 D N 1.297 121.657 120.400 -0.065 0.000 2.633 363 D HA -0.034 4.605 4.640 -0.000 0.000 0.198 363 D C 0.496 176.781 176.300 -0.025 0.000 1.273 363 D CA -0.318 53.585 54.000 -0.161 0.000 0.830 363 D CB 1.479 42.057 40.800 -0.370 0.000 1.771 363 D HN 0.688 nan 8.370 nan 0.000 0.547 364 E N 2.276 122.519 120.200 0.071 0.000 2.160 364 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 364 E C 1.441 178.154 176.600 0.188 0.000 0.991 364 E CA 1.360 57.841 56.400 0.135 0.000 0.810 364 E CB 0.046 29.837 29.700 0.151 0.000 0.742 364 E HN 0.561 nan 8.360 nan 0.000 0.466 365 F N -1.139 118.832 119.950 0.034 0.000 2.678 365 F HA 0.371 4.897 4.527 -0.000 0.000 0.291 365 F C 0.708 176.525 175.800 0.029 0.000 1.123 365 F CA -0.565 57.455 58.000 0.033 0.000 1.395 365 F CB 0.375 39.396 39.000 0.035 0.000 1.121 365 F HN -0.302 nan 8.300 nan 0.000 0.592 366 R N 0.197 120.386 120.500 -0.520 0.000 2.854 366 R HA 0.598 4.938 4.340 -0.000 0.000 0.271 366 R C -1.146 175.009 176.300 -0.243 0.000 0.996 366 R CA -0.750 55.103 56.100 -0.412 0.000 0.961 366 R CB 1.975 31.887 30.300 -0.646 0.000 1.182 366 R HN 0.084 nan 8.270 nan 0.000 0.479 367 T N 0.110 114.571 114.554 -0.155 0.000 3.032 367 T HA 0.547 4.897 4.350 -0.000 0.000 0.312 367 T C -0.808 173.839 174.700 -0.087 0.000 1.078 367 T CA -0.464 61.566 62.100 -0.117 0.000 1.028 367 T CB 1.310 70.135 68.868 -0.071 0.000 1.091 367 T HN 0.699 nan 8.240 nan 0.000 0.457 368 A N 2.921 125.681 122.820 -0.100 0.000 2.492 368 A HA 0.754 5.074 4.320 -0.000 0.000 0.236 368 A C 0.651 178.266 177.584 0.051 0.000 1.078 368 A CA 0.322 52.333 52.037 -0.044 0.000 0.773 368 A CB -0.327 18.558 19.000 -0.192 0.000 1.023 368 A HN 1.709 nan 8.150 nan 0.000 0.504 369 A N -0.110 122.826 122.820 0.193 0.000 2.599 369 A HA 0.654 4.973 4.320 -0.000 0.000 0.290 369 A C -1.357 176.322 177.584 0.158 0.000 1.101 369 A CA -0.320 51.818 52.037 0.168 0.000 0.674 369 A CB 1.079 20.109 19.000 0.050 0.000 1.277 369 A HN 1.547 nan 8.150 nan 0.000 0.419 370 V N 1.399 121.355 119.914 0.070 0.000 2.462 370 V HA 0.497 4.616 4.120 -0.000 0.000 0.288 370 V C -0.707 175.300 176.094 -0.145 0.000 1.020 370 V CA -0.271 61.990 62.300 -0.065 0.000 0.857 370 V CB 1.094 32.944 31.823 0.045 0.000 1.013 370 V HN 0.885 nan 8.190 nan 0.000 0.431 371 E N 2.429 122.460 120.200 -0.282 0.000 2.288 371 E HA 0.863 5.213 4.350 -0.000 0.000 0.268 371 E C -0.022 176.293 176.600 -0.475 0.000 0.885 371 E CA -0.719 55.522 56.400 -0.265 0.000 0.767 371 E CB 2.977 32.677 29.700 0.000 0.000 1.220 371 E HN 0.834 nan 8.360 nan 0.000 0.427 372 G N 1.661 110.077 108.800 -0.640 0.000 2.559 372 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 372 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 372 G C -2.912 171.878 174.900 -0.184 0.000 1.424 372 G CA -0.824 43.832 45.100 -0.741 0.000 0.786 372 G HN 0.371 nan 8.290 nan 0.000 0.485 373 P HA 0.774 nan 4.420 nan 0.000 0.283 373 P C -1.605 175.612 177.300 -0.139 0.000 1.271 373 P CA -0.537 62.598 63.100 0.058 0.000 0.841 373 P CB 1.617 33.473 31.700 0.260 0.000 1.122 374 F N -1.121 118.859 119.950 0.050 0.000 2.576 374 F HA 0.291 4.817 4.527 -0.001 0.000 0.313 374 F C -0.014 175.830 175.800 0.073 0.000 1.078 374 F CA -0.860 57.183 58.000 0.070 0.000 0.921 374 F CB 2.022 41.099 39.000 0.130 0.000 1.232 374 F HN -0.026 nan 8.300 nan 0.000 0.459 375 V N 1.045 121.086 119.914 0.212 0.000 2.546 375 V HA 0.636 4.756 4.120 -0.000 0.000 0.284 375 V C -0.325 175.842 176.094 0.123 0.000 1.050 375 V CA -0.368 62.013 62.300 0.135 0.000 0.981 375 V CB 1.057 32.928 31.823 0.081 0.000 0.990 375 V HN 0.813 nan 8.190 nan 0.000 0.474 376 T N 5.603 120.211 114.554 0.090 0.000 3.355 376 T HA 0.435 4.785 4.350 -0.000 0.000 0.324 376 T C -0.455 174.269 174.700 0.041 0.000 0.932 376 T CA -0.466 61.662 62.100 0.047 0.000 1.032 376 T CB 0.655 69.544 68.868 0.035 0.000 1.027 376 T HN 0.464 nan 8.240 nan 0.000 0.456 377 L N 2.453 123.692 121.223 0.027 0.000 2.436 377 L HA 0.365 4.705 4.340 -0.000 0.000 0.265 377 L C 0.398 177.280 176.870 0.019 0.000 1.168 377 L CA -0.445 54.409 54.840 0.024 0.000 0.815 377 L CB 0.198 42.267 42.059 0.017 0.000 1.109 377 L HN 0.679 nan 8.230 nan 0.000 0.462 378 D N 1.260 121.673 120.400 0.021 0.000 2.811 378 D HA -0.231 4.409 4.640 -0.000 0.000 0.231 378 D C 1.199 177.512 176.300 0.022 0.000 1.157 378 D CA 0.812 54.823 54.000 0.018 0.000 0.716 378 D CB -0.664 40.142 40.800 0.009 0.000 1.077 378 D HN 0.633 nan 8.370 nan 0.000 0.428 379 M N -0.318 119.301 119.600 0.031 0.000 2.260 379 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 379 M C 2.022 178.346 176.300 0.040 0.000 1.066 379 M CA 1.562 56.884 55.300 0.037 0.000 1.082 379 M CB -0.226 32.402 32.600 0.046 0.000 1.388 379 M HN 0.135 nan 8.290 nan 0.000 0.419 380 E N 0.473 120.695 120.200 0.036 0.000 2.110 380 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 380 E C 1.216 177.835 176.600 0.030 0.000 0.988 380 E CA 0.965 57.386 56.400 0.034 0.000 0.804 380 E CB -0.272 29.444 29.700 0.026 0.000 0.745 380 E HN 0.562 nan 8.360 nan 0.000 0.458 381 D N 0.358 120.772 120.400 0.022 0.000 2.378 381 D HA -0.091 4.549 4.640 -0.000 0.000 0.222 381 D C 1.530 177.848 176.300 0.029 0.000 0.980 381 D CA 0.528 54.538 54.000 0.016 0.000 0.907 381 D CB -0.124 40.679 40.800 0.005 0.000 0.899 381 D HN 0.263 nan 8.370 nan 0.000 0.527 382 C N 0.725 120.052 119.300 0.045 0.000 2.485 382 C HA 0.160 4.619 4.460 -0.000 0.000 0.277 382 C C 1.726 176.778 174.990 0.103 0.000 1.376 382 C CA -0.315 58.743 59.018 0.066 0.000 1.759 382 C CB -0.853 26.933 27.740 0.077 0.000 1.970 382 C HN 0.230 nan 8.230 nan 0.000 0.509 383 G N -0.852 108.006 108.800 0.097 0.000 2.491 383 G HA2 0.345 4.305 3.960 -0.000 0.000 0.242 383 G HA3 0.345 4.305 3.960 -0.000 0.000 0.242 383 G C -0.843 174.150 174.900 0.155 0.000 1.266 383 G CA 0.072 45.249 45.100 0.129 0.000 0.844 383 G HN 0.420 nan 8.290 nan 0.000 0.571 384 Y N 2.058 122.410 120.300 0.086 0.000 2.307 384 Y HA 0.435 4.985 4.550 -0.000 0.000 0.324 384 Y C 0.355 176.299 175.900 0.073 0.000 1.238 384 Y CA -0.604 57.553 58.100 0.096 0.000 1.280 384 Y CB 1.078 39.616 38.460 0.130 0.000 1.248 384 Y HN 0.519 nan 8.280 nan 0.000 0.508 385 N N 0.000 118.160 118.700 -0.901 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.710 53.050 -0.567 0.000 0.885 385 N CB 0.000 38.306 38.487 -0.301 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667