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 2zhs_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VXXXXXXXDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYN 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 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.836 175.800 0.060 0.000 0.967 -1 F CA 0.000 58.045 58.000 0.075 0.000 1.383 -1 F CB 0.000 39.053 39.000 0.088 0.000 1.145 0 V N -0.091 119.959 119.914 0.227 0.000 2.594 0 V HA -0.202 3.918 4.120 -0.000 0.000 0.253 0 V C 2.096 178.251 176.094 0.103 0.000 1.069 0 V CA 2.251 64.627 62.300 0.128 0.000 1.082 0 V CB -0.855 31.014 31.823 0.077 0.000 0.680 0 V HN 0.520 nan 8.190 nan 0.000 0.469 1 E N 0.914 121.191 120.200 0.127 0.000 2.208 1 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1 E C 1.934 178.613 176.600 0.131 0.000 0.988 1 E CA 1.488 57.960 56.400 0.121 0.000 0.828 1 E CB -0.476 29.307 29.700 0.138 0.000 0.763 1 E HN 0.635 nan 8.360 nan 0.000 0.478 2 M N 1.092 120.779 119.600 0.146 0.000 2.541 2 M HA 0.090 4.570 4.480 -0.000 0.000 0.252 2 M C 0.554 176.894 176.300 0.067 0.000 1.125 2 M CA -0.030 55.344 55.300 0.124 0.000 1.091 2 M CB 0.538 33.214 32.600 0.127 0.000 1.420 2 M HN -0.185 nan 8.290 nan 0.000 0.486 3 V N 1.914 121.862 119.914 0.056 0.000 2.901 3 V HA -0.137 3.983 4.120 -0.000 0.000 0.307 3 V C 0.784 176.869 176.094 -0.015 0.000 1.084 3 V CA 0.614 62.925 62.300 0.019 0.000 1.184 3 V CB 0.345 32.179 31.823 0.018 0.000 0.941 3 V HN 0.518 nan 8.190 nan 0.000 0.493 4 D N 2.522 122.909 120.400 -0.022 0.000 2.737 4 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 4 D C 0.895 177.161 176.300 -0.057 0.000 1.155 4 D CA 1.138 55.115 54.000 -0.037 0.000 0.667 4 D CB -0.720 40.053 40.800 -0.046 0.000 1.060 4 D HN 0.894 nan 8.370 nan 0.000 0.427 5 N N -0.084 118.597 118.700 -0.032 0.000 2.268 5 N HA 0.041 4.781 4.740 -0.000 0.000 0.204 5 N C 0.137 175.648 175.510 0.001 0.000 1.124 5 N CA 0.023 53.063 53.050 -0.017 0.000 0.838 5 N CB 0.004 38.523 38.487 0.054 0.000 0.994 5 N HN 0.364 nan 8.380 nan 0.000 0.489 6 L N 0.044 121.254 121.223 -0.022 0.000 2.386 6 L HA 0.596 4.935 4.340 -0.000 0.000 0.271 6 L C 0.053 176.862 176.870 -0.101 0.000 0.993 6 L CA -0.886 53.930 54.840 -0.040 0.000 0.819 6 L CB 1.969 44.037 42.059 0.015 0.000 1.294 6 L HN -0.104 nan 8.230 nan 0.000 0.414 7 R N 0.875 121.159 120.500 -0.361 0.000 2.922 7 R HA 0.925 5.265 4.340 -0.000 0.000 0.256 7 R C -0.372 175.435 176.300 -0.821 0.000 1.138 7 R CA -0.786 55.025 56.100 -0.481 0.000 0.995 7 R CB 2.015 32.069 30.300 -0.409 0.000 1.226 7 R HN 0.837 nan 8.270 nan 0.000 0.481 8 G N 0.136 108.620 108.800 -0.526 0.000 2.317 8 G HA2 0.278 4.238 3.960 -0.000 0.000 0.293 8 G HA3 0.278 4.238 3.960 -0.000 0.000 0.293 8 G C -1.833 172.979 174.900 -0.148 0.000 1.287 8 G CA -0.646 44.246 45.100 -0.347 0.000 0.850 8 G HN 0.149 nan 8.290 nan 0.000 0.515 9 K N 0.657 121.001 120.400 -0.093 0.000 2.507 9 K HA 0.604 4.924 4.320 -0.000 0.000 0.252 9 K C 0.068 176.604 176.600 -0.107 0.000 0.943 9 K CA -0.672 55.578 56.287 -0.062 0.000 0.808 9 K CB 1.687 34.196 32.500 0.016 0.000 1.142 9 K HN 0.728 nan 8.250 nan 0.000 0.426 10 S N 0.828 116.461 115.700 -0.112 0.000 2.715 10 S HA 0.057 4.527 4.470 -0.000 0.000 0.318 10 S C 1.362 175.923 174.600 -0.065 0.000 1.242 10 S CA 2.148 60.290 58.200 -0.097 0.000 1.044 10 S CB -0.290 62.876 63.200 -0.056 0.000 0.760 10 S HN 0.896 nan 8.310 nan 0.000 0.501 11 G N 3.594 112.357 108.800 -0.061 0.000 2.284 11 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.247 11 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.247 11 G C 0.334 175.222 174.900 -0.020 0.000 1.012 11 G CA 0.621 45.701 45.100 -0.033 0.000 0.618 11 G HN 1.089 nan 8.290 nan 0.000 0.521 12 Q N -0.073 119.718 119.800 -0.016 0.000 2.182 12 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 12 Q C 0.905 176.918 176.000 0.023 0.000 0.861 12 Q CA 0.248 56.084 55.803 0.056 0.000 1.098 12 Q CB 0.723 29.555 28.738 0.157 0.000 1.188 12 Q HN 2.011 nan 8.270 nan 0.000 0.464 13 G N 0.691 109.437 108.800 -0.090 0.000 2.846 13 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.660 13 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.660 13 G C -1.137 173.625 174.900 -0.231 0.000 1.464 13 G CA -0.650 44.376 45.100 -0.123 0.000 0.891 13 G HN 0.312 nan 8.290 nan 0.000 0.552 14 Y N -0.061 120.177 120.300 -0.103 0.000 2.361 14 Y HA 0.663 5.213 4.550 -0.000 0.000 0.332 14 Y C 0.701 176.531 175.900 -0.117 0.000 1.101 14 Y CA -0.136 57.870 58.100 -0.156 0.000 1.137 14 Y CB 1.692 40.069 38.460 -0.137 0.000 1.207 14 Y HN 0.791 nan 8.280 nan 0.000 0.463 15 Y N -0.267 120.072 120.300 0.066 0.000 2.576 15 Y HA 0.815 5.364 4.550 -0.000 0.000 0.346 15 Y C -1.607 174.323 175.900 0.050 0.000 1.018 15 Y CA -1.808 56.305 58.100 0.022 0.000 1.050 15 Y CB 0.950 39.444 38.460 0.057 0.000 1.280 15 Y HN 0.439 nan 8.280 nan 0.000 0.474 16 V N 1.829 121.880 119.914 0.228 0.000 2.769 16 V HA 0.421 4.541 4.120 -0.000 0.000 0.312 16 V C -0.695 175.505 176.094 0.177 0.000 1.061 16 V CA -0.814 61.575 62.300 0.148 0.000 0.931 16 V CB 1.741 33.587 31.823 0.038 0.000 1.010 16 V HN 0.995 nan 8.190 nan 0.000 0.433 17 E N 5.856 126.160 120.200 0.173 0.000 2.338 17 E HA 0.482 4.832 4.350 -0.000 0.000 0.272 17 E C -0.720 175.909 176.600 0.048 0.000 1.029 17 E CA -0.154 56.325 56.400 0.130 0.000 0.872 17 E CB 0.853 30.644 29.700 0.153 0.000 1.015 17 E HN 0.709 nan 8.360 nan 0.000 0.417 18 M N 2.117 121.734 119.600 0.028 0.000 2.667 18 M HA 0.377 4.857 4.480 -0.000 0.000 0.286 18 M C -0.943 175.359 176.300 0.005 0.000 1.270 18 M CA -1.000 54.294 55.300 -0.012 0.000 0.826 18 M CB 2.560 35.143 32.600 -0.029 0.000 1.743 18 M HN 0.615 nan 8.290 nan 0.000 0.460 19 T N -0.372 114.183 114.554 0.001 0.000 2.916 19 T HA 0.787 5.137 4.350 -0.000 0.000 0.298 19 T C -0.824 173.893 174.700 0.027 0.000 1.031 19 T CA -0.793 61.314 62.100 0.012 0.000 0.993 19 T CB 1.399 70.270 68.868 0.005 0.000 1.045 19 T HN 0.677 nan 8.240 nan 0.000 0.454 20 V N -0.571 119.354 119.914 0.018 0.000 2.735 20 V HA 1.014 5.133 4.120 -0.000 0.000 0.310 20 V C 0.640 176.794 176.094 0.100 0.000 1.061 20 V CA 0.028 62.334 62.300 0.010 0.000 0.913 20 V CB 0.622 32.307 31.823 -0.229 0.000 1.005 20 V HN 1.994 nan 8.190 nan 0.000 0.428 21 G N 2.968 111.860 108.800 0.152 0.000 2.828 21 G HA2 0.054 4.014 3.960 -0.000 0.000 0.463 21 G HA3 0.054 4.014 3.960 -0.000 0.000 0.463 21 G C -0.356 174.619 174.900 0.126 0.000 1.394 21 G CA -0.259 44.962 45.100 0.201 0.000 0.862 21 G HN 1.772 nan 8.290 nan 0.000 0.540 22 S N 2.103 117.871 115.700 0.114 0.000 2.659 22 S HA 0.671 5.141 4.470 -0.000 0.000 0.312 22 S C -2.328 172.307 174.600 0.058 0.000 1.114 22 S CA -0.713 57.531 58.200 0.073 0.000 1.063 22 S CB 2.361 65.600 63.200 0.064 0.000 0.996 22 S HN 0.690 nan 8.310 nan 0.000 0.478 23 P HA 0.219 nan 4.420 nan 0.000 0.271 23 P C -2.595 174.733 177.300 0.047 0.000 1.244 23 P CA -1.195 61.926 63.100 0.035 0.000 0.793 23 P CB -0.338 31.374 31.700 0.020 0.000 0.984 24 P HA 0.100 nan 4.420 nan 0.000 0.276 24 P C -0.915 176.407 177.300 0.037 0.000 1.230 24 P CA 0.146 63.272 63.100 0.043 0.000 0.776 24 P CB 0.671 32.386 31.700 0.025 0.000 0.888 25 Q N 1.090 120.922 119.800 0.053 0.000 2.271 25 Q HA 0.337 4.677 4.340 -0.000 0.000 0.258 25 Q C -0.171 175.842 176.000 0.022 0.000 0.936 25 Q CA -0.476 55.352 55.803 0.041 0.000 0.909 25 Q CB 1.383 30.178 28.738 0.096 0.000 1.253 25 Q HN 0.372 nan 8.270 nan 0.000 0.440 26 T N 3.636 118.193 114.554 0.005 0.000 2.817 26 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 26 T C -0.355 174.346 174.700 0.001 0.000 0.964 26 T CA -0.249 61.853 62.100 0.003 0.000 1.085 26 T CB 0.241 69.109 68.868 0.001 0.000 0.921 26 T HN 0.317 nan 8.240 nan 0.000 0.502 27 L N 3.248 124.479 121.223 0.012 0.000 2.434 27 L HA 0.502 4.842 4.340 -0.000 0.000 0.260 27 L C -0.468 176.425 176.870 0.039 0.000 0.983 27 L CA -1.246 53.604 54.840 0.016 0.000 0.820 27 L CB 2.082 44.151 42.059 0.017 0.000 1.361 27 L HN 0.419 nan 8.230 nan 0.000 0.410 28 N N 2.901 121.611 118.700 0.016 0.000 2.426 28 N HA 0.517 5.256 4.740 -0.000 0.000 0.275 28 N C -1.019 174.562 175.510 0.118 0.000 1.019 28 N CA -0.333 52.735 53.050 0.031 0.000 0.941 28 N CB 1.790 40.117 38.487 -0.267 0.000 1.123 28 N HN 0.309 nan 8.380 nan 0.000 0.486 29 I N 2.807 123.483 120.570 0.176 0.000 2.436 29 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 29 I C 0.478 176.659 176.117 0.106 0.000 1.010 29 I CA -0.688 60.710 61.300 0.163 0.000 1.098 29 I CB 1.330 39.429 38.000 0.164 0.000 1.266 29 I HN 0.235 nan 8.210 nan 0.000 0.434 30 L N 5.417 126.601 121.223 -0.066 0.000 2.490 30 L HA 0.126 4.466 4.340 -0.000 0.000 0.274 30 L C 0.017 176.812 176.870 -0.126 0.000 1.201 30 L CA -0.147 54.551 54.840 -0.236 0.000 0.869 30 L CB 0.639 42.290 42.059 -0.680 0.000 1.123 30 L HN 0.262 nan 8.230 nan 0.000 0.484 31 V N 2.706 122.563 119.914 -0.094 0.000 2.334 31 V HA 0.138 4.258 4.120 -0.000 0.000 0.267 31 V C -0.264 175.762 176.094 -0.113 0.000 1.040 31 V CA -0.232 61.998 62.300 -0.118 0.000 0.866 31 V CB 1.236 32.984 31.823 -0.124 0.000 1.019 31 V HN 0.619 nan 8.190 nan 0.000 0.468 32 D N 3.395 123.733 120.400 -0.104 0.000 2.461 32 D HA 0.211 4.851 4.640 -0.000 0.000 0.240 32 D C 1.169 177.449 176.300 -0.033 0.000 1.094 32 D CA -0.255 53.712 54.000 -0.054 0.000 0.868 32 D CB 1.767 42.554 40.800 -0.021 0.000 1.062 32 D HN 0.572 nan 8.370 nan 0.000 0.530 33 T N -0.015 114.519 114.554 -0.034 0.000 3.215 33 T HA 0.143 4.493 4.350 -0.000 0.000 0.254 33 T C 1.493 176.320 174.700 0.212 0.000 1.149 33 T CA 0.333 62.459 62.100 0.043 0.000 1.042 33 T CB 0.137 68.928 68.868 -0.128 0.000 0.966 33 T HN 0.290 nan 8.240 nan 0.000 0.534 34 G N 0.838 109.728 108.800 0.150 0.000 2.887 34 G HA2 0.367 4.327 3.960 -0.000 0.000 0.211 34 G HA3 0.367 4.327 3.960 -0.000 0.000 0.211 34 G C 0.527 175.520 174.900 0.156 0.000 1.152 34 G CA 0.220 45.447 45.100 0.211 0.000 0.769 34 G HN 0.742 nan 8.290 nan 0.000 0.541 35 S N -1.572 114.181 115.700 0.087 0.000 2.740 35 S HA 0.666 5.136 4.470 -0.000 0.000 0.300 35 S C 0.038 174.653 174.600 0.025 0.000 1.147 35 S CA -0.278 57.957 58.200 0.058 0.000 0.871 35 S CB 1.984 65.279 63.200 0.158 0.000 1.173 35 S HN -0.084 nan 8.310 nan 0.000 0.510 36 S N 0.193 115.920 115.700 0.045 0.000 2.819 36 S HA 0.385 4.854 4.470 -0.000 0.000 0.249 36 S C -0.623 174.058 174.600 0.134 0.000 1.030 36 S CA -0.483 57.750 58.200 0.056 0.000 1.052 36 S CB -0.418 62.792 63.200 0.017 0.000 1.017 36 S HN 0.675 nan 8.310 nan 0.000 0.576 37 N N 1.151 119.967 118.700 0.192 0.000 2.417 37 N HA 0.503 5.243 4.740 -0.000 0.000 0.300 37 N C -1.432 174.250 175.510 0.287 0.000 1.102 37 N CA -0.492 52.715 53.050 0.261 0.000 0.886 37 N CB 0.868 39.577 38.487 0.371 0.000 1.203 37 N HN 0.122 nan 8.380 nan 0.000 0.496 38 F N 2.273 122.277 119.950 0.089 0.000 2.313 38 F HA 0.704 5.230 4.527 -0.000 0.000 0.369 38 F C -0.749 175.030 175.800 -0.035 0.000 1.109 38 F CA -1.511 56.496 58.000 0.012 0.000 1.132 38 F CB -0.239 38.781 39.000 0.032 0.000 1.291 38 F HN 0.467 nan 8.300 nan 0.000 0.496 39 A N 6.257 128.906 122.820 -0.285 0.000 2.356 39 A HA 0.777 5.097 4.320 -0.000 0.000 0.310 39 A C -1.400 175.893 177.584 -0.486 0.000 1.075 39 A CA -0.414 51.290 52.037 -0.556 0.000 0.746 39 A CB 1.292 19.654 19.000 -1.063 0.000 1.221 39 A HN 1.034 nan 8.150 nan 0.000 0.443 40 V N 0.154 119.813 119.914 -0.426 0.000 2.823 40 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 40 V C 0.437 176.544 176.094 0.021 0.000 1.072 40 V CA -0.257 61.940 62.300 -0.171 0.000 0.937 40 V CB 1.302 32.953 31.823 -0.287 0.000 1.013 40 V HN 1.476 nan 8.190 nan 0.000 0.430 41 G N 1.702 110.633 108.800 0.219 0.000 2.380 41 G HA2 0.523 4.483 3.960 -0.000 0.000 0.242 41 G HA3 0.523 4.483 3.960 -0.000 0.000 0.242 41 G C 0.446 175.462 174.900 0.192 0.000 1.298 41 G CA 0.090 45.334 45.100 0.240 0.000 0.878 41 G HN 1.918 nan 8.290 nan 0.000 0.542 42 A N 1.256 124.166 122.820 0.149 0.000 2.610 42 A HA 0.777 5.096 4.320 -0.000 0.000 0.291 42 A C 0.601 178.228 177.584 0.073 0.000 1.116 42 A CA 0.614 52.756 52.037 0.174 0.000 0.963 42 A CB 0.062 19.113 19.000 0.086 0.000 1.220 42 A HN 1.836 nan 8.150 nan 0.000 0.530 43 A N -0.212 122.505 122.820 -0.171 0.000 2.594 43 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 43 A C -3.116 173.936 177.584 -0.886 0.000 1.071 43 A CA -1.364 50.386 52.037 -0.478 0.000 0.685 43 A CB 0.639 19.520 19.000 -0.198 0.000 1.285 43 A HN -0.040 nan 8.150 nan 0.000 0.405 44 P HA -0.012 nan 4.420 nan 0.000 0.229 44 P C -0.390 176.693 177.300 -0.362 0.000 1.597 44 P CA 0.484 63.135 63.100 -0.748 0.000 1.030 44 P CB -0.646 30.779 31.700 -0.460 0.000 1.897 45 H N 3.353 122.177 119.070 -0.410 0.000 2.803 45 H HA 0.062 4.618 4.556 -0.000 0.000 0.330 45 H C -1.106 174.030 175.328 -0.320 0.000 1.057 45 H CA -1.718 54.130 56.048 -0.332 0.000 1.458 45 H CB 1.024 30.588 29.762 -0.329 0.000 1.470 45 H HN 0.121 nan 8.280 nan 0.000 0.560 46 P HA -0.189 nan 4.420 nan 0.000 0.218 46 P C 1.018 178.424 177.300 0.176 0.000 1.146 46 P CA 1.107 64.141 63.100 -0.110 0.000 0.813 46 P CB -0.015 31.567 31.700 -0.197 0.000 0.778 47 F N -0.735 119.335 119.950 0.199 0.000 2.780 47 F HA 0.168 4.695 4.527 -0.000 0.000 0.299 47 F C 1.574 177.209 175.800 -0.274 0.000 1.146 47 F CA -0.760 57.192 58.000 -0.080 0.000 1.428 47 F CB -1.227 37.707 39.000 -0.110 0.000 1.115 47 F HN -0.168 nan 8.300 nan 0.000 0.583 48 L N -0.298 120.850 121.223 -0.125 0.000 2.349 48 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 48 L C 1.385 178.186 176.870 -0.115 0.000 1.115 48 L CA -0.241 54.467 54.840 -0.220 0.000 0.820 48 L CB 0.815 42.700 42.059 -0.290 0.000 1.135 48 L HN 0.010 nan 8.230 nan 0.000 0.445 49 H N 1.801 120.802 119.070 -0.116 0.000 2.482 49 H HA 0.099 4.655 4.556 -0.000 0.000 0.286 49 H C 0.078 175.389 175.328 -0.027 0.000 1.017 49 H CA 0.553 56.560 56.048 -0.068 0.000 1.322 49 H CB 0.298 30.004 29.762 -0.094 0.000 1.426 49 H HN 0.500 nan 8.280 nan 0.000 0.546 50 R N -1.305 119.260 120.500 0.109 0.000 2.741 50 R HA 0.343 4.682 4.340 -0.000 0.000 0.274 50 R C -1.872 174.501 176.300 0.121 0.000 1.029 50 R CA -1.118 55.010 56.100 0.048 0.000 0.880 50 R CB 1.392 31.668 30.300 -0.041 0.000 1.264 50 R HN 0.080 nan 8.270 nan 0.000 0.465 51 Y N -2.310 117.971 120.300 -0.033 0.000 2.609 51 Y HA 0.494 5.043 4.550 -0.000 0.000 0.336 51 Y C -1.444 174.488 175.900 0.052 0.000 1.129 51 Y CA -1.730 56.360 58.100 -0.016 0.000 1.040 51 Y CB 0.452 38.880 38.460 -0.054 0.000 1.310 51 Y HN 0.615 nan 8.280 nan 0.000 0.460 52 Y N 2.724 123.034 120.300 0.018 0.000 2.526 52 Y HA 0.301 4.851 4.550 -0.000 0.000 0.330 52 Y C -0.380 175.497 175.900 -0.038 0.000 1.156 52 Y CA -0.417 57.649 58.100 -0.056 0.000 1.419 52 Y CB 0.858 39.279 38.460 -0.064 0.000 1.250 52 Y HN 0.724 nan 8.280 nan 0.000 0.540 53 Q N 7.193 126.790 119.800 -0.339 0.000 2.644 53 Q HA 0.268 4.608 4.340 -0.000 0.000 0.245 53 Q C 0.960 176.564 176.000 -0.661 0.000 1.064 53 Q CA -0.460 55.095 55.803 -0.413 0.000 0.860 53 Q CB 0.955 29.547 28.738 -0.244 0.000 1.145 53 Q HN 0.826 nan 8.270 nan 0.000 0.515 54 R N 1.306 121.156 120.500 -1.083 0.000 2.162 54 R HA -0.314 4.026 4.340 -0.000 0.000 0.245 54 R C 2.177 178.170 176.300 -0.513 0.000 1.129 54 R CA 2.434 57.865 56.100 -1.114 0.000 0.940 54 R CB -0.290 29.225 30.300 -1.310 0.000 0.875 54 R HN 0.627 nan 8.270 nan 0.000 0.437 55 Q N 0.959 120.548 119.800 -0.352 0.000 2.268 55 Q HA -0.231 4.108 4.340 -0.000 0.000 0.213 55 Q C 1.546 177.485 176.000 -0.100 0.000 0.995 55 Q CA 1.855 57.562 55.803 -0.161 0.000 0.901 55 Q CB -0.424 28.240 28.738 -0.123 0.000 0.921 55 Q HN 0.509 nan 8.270 nan 0.000 0.421 56 L N 0.862 122.011 121.223 -0.125 0.000 2.628 56 L HA 0.268 4.607 4.340 -0.000 0.000 0.229 56 L C 0.784 177.644 176.870 -0.017 0.000 1.137 56 L CA -0.235 54.568 54.840 -0.062 0.000 0.909 56 L CB 0.497 42.515 42.059 -0.069 0.000 1.137 56 L HN -0.009 nan 8.230 nan 0.000 0.470 57 S N -0.076 115.624 115.700 -0.000 0.000 2.423 57 S HA 0.155 4.624 4.470 -0.000 0.000 0.317 57 S C 1.301 175.973 174.600 0.120 0.000 1.065 57 S CA -0.497 57.758 58.200 0.092 0.000 1.111 57 S CB 0.999 64.311 63.200 0.188 0.000 0.968 57 S HN 0.355 nan 8.310 nan 0.000 0.474 58 S N 3.128 118.880 115.700 0.087 0.000 2.500 58 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 58 S C 1.402 176.057 174.600 0.093 0.000 0.989 58 S CA 1.245 59.492 58.200 0.078 0.000 0.951 58 S CB -0.734 62.497 63.200 0.052 0.000 0.759 58 S HN 0.844 nan 8.310 nan 0.000 0.523 59 T N -2.797 111.831 114.554 0.123 0.000 3.040 59 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 59 T C 0.294 175.085 174.700 0.152 0.000 1.058 59 T CA -0.573 61.596 62.100 0.115 0.000 0.988 59 T CB -0.551 68.380 68.868 0.105 0.000 0.993 59 T HN 0.425 nan 8.240 nan 0.000 0.519 60 Y N 3.105 123.458 120.300 0.089 0.000 2.457 60 Y HA 0.422 4.972 4.550 -0.000 0.000 0.341 60 Y C 0.147 176.092 175.900 0.075 0.000 1.240 60 Y CA -0.879 57.286 58.100 0.110 0.000 1.437 60 Y CB 0.498 39.017 38.460 0.098 0.000 1.328 60 Y HN 0.028 nan 8.280 nan 0.000 0.588 61 R N 4.409 124.329 120.500 -0.967 0.000 2.569 61 R HA 0.121 4.461 4.340 -0.000 0.000 0.293 61 R C -1.644 174.120 176.300 -0.893 0.000 1.186 61 R CA -0.920 54.778 56.100 -0.669 0.000 0.956 61 R CB 0.958 31.087 30.300 -0.284 0.000 1.196 61 R HN 0.662 nan 8.270 nan 0.000 0.444 62 D N 3.141 123.162 120.400 -0.632 0.000 2.458 62 D HA 0.002 4.642 4.640 -0.000 0.000 0.243 62 D C 0.554 176.791 176.300 -0.105 0.000 1.146 62 D CA 0.220 54.097 54.000 -0.204 0.000 0.877 62 D CB 1.114 41.972 40.800 0.096 0.000 1.176 62 D HN 0.517 nan 8.370 nan 0.000 0.461 63 L N 4.038 125.245 121.223 -0.028 0.000 2.653 63 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 63 L C 0.943 177.829 176.870 0.026 0.000 1.153 63 L CA -0.183 54.655 54.840 -0.003 0.000 0.933 63 L CB -0.124 41.948 42.059 0.021 0.000 1.175 63 L HN 0.397 nan 8.230 nan 0.000 0.473 64 R N 1.199 121.723 120.500 0.040 0.000 3.266 64 R HA -0.219 4.120 4.340 -0.000 0.000 0.245 64 R C 0.022 176.349 176.300 0.044 0.000 0.941 64 R CA 0.781 56.907 56.100 0.044 0.000 0.638 64 R CB -1.443 28.874 30.300 0.029 0.000 1.019 64 R HN 0.304 nan 8.270 nan 0.000 0.462 65 K N -0.126 120.310 120.400 0.059 0.000 2.550 65 K HA 0.421 4.741 4.320 -0.000 0.000 0.252 65 K C -0.241 176.405 176.600 0.076 0.000 0.943 65 K CA -0.153 56.168 56.287 0.056 0.000 0.806 65 K CB 1.823 34.353 32.500 0.050 0.000 1.289 65 K HN 0.149 nan 8.250 nan 0.000 0.435 66 G N 1.173 110.014 108.800 0.068 0.000 2.511 66 G HA2 0.619 4.578 3.960 -0.000 0.000 0.316 66 G HA3 0.619 4.578 3.960 -0.000 0.000 0.316 66 G C -1.290 173.660 174.900 0.082 0.000 1.210 66 G CA -0.559 44.592 45.100 0.085 0.000 0.969 66 G HN 0.411 nan 8.290 nan 0.000 0.492 67 V N -0.323 119.651 119.914 0.101 0.000 2.851 67 V HA 0.690 4.809 4.120 -0.000 0.000 0.307 67 V C -2.152 173.940 176.094 -0.004 0.000 1.129 67 V CA -0.948 61.382 62.300 0.050 0.000 0.932 67 V CB 1.798 33.669 31.823 0.080 0.000 1.024 67 V HN 0.796 nan 8.190 nan 0.000 0.426 68 Y N 4.951 125.091 120.300 -0.266 0.000 2.361 68 Y HA 0.765 5.314 4.550 -0.000 0.000 0.337 68 Y C -0.827 174.727 175.900 -0.576 0.000 0.965 68 Y CA -0.598 57.281 58.100 -0.367 0.000 1.091 68 Y CB 2.243 40.573 38.460 -0.217 0.000 1.182 68 Y HN 0.475 nan 8.280 nan 0.000 0.450 69 V N 8.801 128.008 119.914 -1.180 0.000 2.327 69 V HA 0.353 4.473 4.120 -0.000 0.000 0.272 69 V C -2.404 172.956 176.094 -1.224 0.000 1.019 69 V CA -1.560 60.011 62.300 -1.215 0.000 0.814 69 V CB 0.952 31.692 31.823 -1.805 0.000 1.040 69 V HN 0.629 nan 8.190 nan 0.000 0.440 70 P HA 0.446 nan 4.420 nan 0.000 0.279 70 P C -1.298 175.674 177.300 -0.547 0.000 1.252 70 P CA -0.148 62.611 63.100 -0.568 0.000 0.811 70 P CB 1.558 33.164 31.700 -0.157 0.000 1.035 71 Y N -1.516 118.739 120.300 -0.075 0.000 2.833 71 Y HA 0.241 4.791 4.550 -0.000 0.000 0.319 71 Y C 2.298 178.205 175.900 0.012 0.000 1.254 71 Y CA -0.604 57.490 58.100 -0.010 0.000 1.138 71 Y CB 0.320 38.796 38.460 0.025 0.000 1.352 71 Y HN 0.141 nan 8.280 nan 0.000 0.546 72 T N -0.379 114.311 114.554 0.226 0.000 2.803 72 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 72 T C 1.003 175.769 174.700 0.110 0.000 1.052 72 T CA 2.045 64.220 62.100 0.125 0.000 1.136 72 T CB -0.141 68.780 68.868 0.088 0.000 0.864 72 T HN 0.536 nan 8.240 nan 0.000 0.467 73 Q N -1.667 118.212 119.800 0.132 0.000 2.181 73 Q HA 0.255 4.595 4.340 -0.000 0.000 0.244 73 Q C 1.138 177.217 176.000 0.133 0.000 0.745 73 Q CA 0.010 55.878 55.803 0.109 0.000 0.934 73 Q CB 1.170 29.958 28.738 0.082 0.000 1.220 73 Q HN 0.442 nan 8.270 nan 0.000 0.478 74 G N 1.301 110.217 108.800 0.193 0.000 2.857 74 G HA2 0.614 4.573 3.960 -0.000 0.000 0.217 74 G HA3 0.614 4.573 3.960 -0.000 0.000 0.217 74 G C -0.848 174.218 174.900 0.276 0.000 1.357 74 G CA -0.153 45.085 45.100 0.229 0.000 1.033 74 G HN 0.067 nan 8.290 nan 0.000 0.571 75 K N -2.163 118.412 120.400 0.292 0.000 3.191 75 K HA 0.293 4.613 4.320 -0.000 0.000 0.325 75 K C -1.649 174.948 176.600 -0.004 0.000 1.105 75 K CA -0.898 55.376 56.287 -0.022 0.000 0.843 75 K CB 0.189 32.445 32.500 -0.406 0.000 1.452 75 K HN 1.166 nan 8.250 nan 0.000 0.393 76 W N 0.592 121.650 121.300 -0.403 0.000 3.127 76 W HA 0.775 5.435 4.660 -0.000 0.000 0.330 76 W C -1.502 174.776 176.519 -0.402 0.000 1.187 76 W CA -0.587 56.501 57.345 -0.428 0.000 1.198 76 W CB 1.608 30.614 29.460 -0.757 0.000 1.408 76 W HN 0.952 nan 8.180 nan 0.000 0.529 77 E N 1.877 122.208 120.200 0.218 0.000 2.408 77 E HA 0.853 5.202 4.350 -0.000 0.000 0.275 77 E C -0.634 176.153 176.600 0.313 0.000 0.935 77 E CA -1.000 55.509 56.400 0.182 0.000 0.775 77 E CB 2.521 32.306 29.700 0.141 0.000 1.277 77 E HN 0.845 nan 8.360 nan 0.000 0.455 78 G N 0.510 109.480 108.800 0.283 0.000 2.342 78 G HA2 0.309 4.269 3.960 -0.000 0.000 0.297 78 G HA3 0.309 4.269 3.960 -0.000 0.000 0.297 78 G C -1.719 173.296 174.900 0.191 0.000 1.313 78 G CA -0.850 44.382 45.100 0.218 0.000 0.830 78 G HN 0.512 nan 8.290 nan 0.000 0.506 79 E N -0.367 119.929 120.200 0.159 0.000 2.266 79 E HA 0.636 4.986 4.350 -0.000 0.000 0.277 79 E C -0.018 176.700 176.600 0.197 0.000 1.018 79 E CA -0.478 56.019 56.400 0.162 0.000 0.840 79 E CB 1.126 30.917 29.700 0.151 0.000 1.082 79 E HN 0.438 nan 8.360 nan 0.000 0.395 80 L N 2.902 124.233 121.223 0.179 0.000 2.421 80 L HA 0.778 5.117 4.340 -0.000 0.000 0.263 80 L C 0.834 177.817 176.870 0.188 0.000 1.122 80 L CA 0.070 55.017 54.840 0.177 0.000 0.804 80 L CB 1.303 43.442 42.059 0.133 0.000 1.150 80 L HN 0.756 nan 8.230 nan 0.000 0.457 81 G N -0.029 108.875 108.800 0.174 0.000 2.348 81 G HA2 0.522 4.482 3.960 -0.000 0.000 0.296 81 G HA3 0.522 4.482 3.960 -0.000 0.000 0.296 81 G C -1.288 173.661 174.900 0.082 0.000 1.258 81 G CA 0.188 45.330 45.100 0.070 0.000 0.868 81 G HN 0.680 nan 8.290 nan 0.000 0.488 82 T N -2.298 112.248 114.554 -0.014 0.000 2.821 82 T HA 0.748 5.098 4.350 -0.000 0.000 0.306 82 T C -1.918 172.854 174.700 0.120 0.000 1.313 82 T CA -0.467 61.680 62.100 0.078 0.000 1.012 82 T CB 2.936 71.820 68.868 0.027 0.000 1.298 82 T HN 0.913 nan 8.240 nan 0.000 0.502 83 D N -0.162 120.343 120.400 0.175 0.000 2.742 83 D HA 0.254 4.894 4.640 -0.000 0.000 0.262 83 D C -0.969 175.427 176.300 0.160 0.000 1.240 83 D CA -0.632 53.490 54.000 0.204 0.000 0.752 83 D CB 1.729 42.738 40.800 0.348 0.000 1.290 83 D HN 0.745 nan 8.370 nan 0.000 0.420 84 L N 1.467 122.771 121.223 0.134 0.000 2.418 84 L HA 0.325 4.665 4.340 -0.000 0.000 0.274 84 L C 0.134 177.075 176.870 0.120 0.000 1.135 84 L CA -0.334 54.569 54.840 0.104 0.000 0.870 84 L CB 0.639 42.744 42.059 0.077 0.000 1.154 84 L HN 0.075 nan 8.230 nan 0.000 0.462 85 V N 2.651 122.650 119.914 0.140 0.000 2.769 85 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 85 V C 0.011 176.177 176.094 0.120 0.000 1.058 85 V CA -0.412 61.981 62.300 0.155 0.000 0.952 85 V CB 1.995 33.976 31.823 0.262 0.000 1.019 85 V HN 0.848 nan 8.190 nan 0.000 0.445 86 S N 2.415 118.152 115.700 0.061 0.000 2.596 86 S HA 0.724 5.194 4.470 -0.000 0.000 0.270 86 S C -1.592 172.999 174.600 -0.015 0.000 1.155 86 S CA -0.568 57.655 58.200 0.039 0.000 0.827 86 S CB 1.555 64.766 63.200 0.019 0.000 1.130 86 S HN 0.536 nan 8.310 nan 0.000 0.467 87 I N 3.710 124.273 120.570 -0.012 0.000 2.495 87 I HA 0.325 4.495 4.170 -0.000 0.000 0.277 87 I C -1.918 174.167 176.117 -0.053 0.000 1.045 87 I CA -2.206 59.071 61.300 -0.038 0.000 1.135 87 I CB 1.928 39.914 38.000 -0.022 0.000 1.241 87 I HN 0.469 nan 8.210 nan 0.000 0.469 88 P HA -0.236 nan 4.420 nan 0.000 0.221 88 P C 0.648 177.755 177.300 -0.321 0.000 1.160 88 P CA 1.722 64.660 63.100 -0.269 0.000 0.933 88 P CB 0.009 31.467 31.700 -0.404 0.000 0.793 89 H N -1.322 117.767 119.070 0.033 0.000 2.655 89 H HA 0.472 5.028 4.556 -0.000 0.000 0.309 89 H C 1.115 176.472 175.328 0.047 0.000 1.180 89 H CA 0.266 56.338 56.048 0.040 0.000 1.087 89 H CB -0.488 29.296 29.762 0.037 0.000 1.494 89 H HN 0.156 nan 8.280 nan 0.000 0.515 90 G N 0.947 109.808 108.800 0.100 0.000 3.247 90 G HA2 0.297 4.257 3.960 -0.000 0.000 0.226 90 G HA3 0.297 4.257 3.960 -0.000 0.000 0.226 90 G C -2.514 172.447 174.900 0.101 0.000 1.220 90 G CA -1.250 43.910 45.100 0.101 0.000 0.875 90 G HN -0.040 nan 8.290 nan 0.000 0.606 91 P HA 0.079 nan 4.420 nan 0.000 0.268 91 P C -0.576 176.758 177.300 0.056 0.000 1.205 91 P CA -0.079 63.078 63.100 0.095 0.000 0.771 91 P CB 0.883 32.633 31.700 0.083 0.000 0.858 92 N N 2.099 120.829 118.700 0.050 0.000 3.167 92 N HA 0.133 4.873 4.740 -0.000 0.000 0.318 92 N C -0.049 175.466 175.510 0.009 0.000 1.268 92 N CA -0.235 52.831 53.050 0.026 0.000 1.197 92 N CB -0.819 37.683 38.487 0.026 0.000 1.464 92 N HN 0.203 nan 8.380 nan 0.000 0.555 93 V N -2.715 117.201 119.914 0.004 0.000 3.164 93 V HA 0.778 4.897 4.120 -0.000 0.000 0.313 93 V C -0.012 176.078 176.094 -0.007 0.000 1.188 93 V CA -0.747 61.544 62.300 -0.016 0.000 1.058 93 V CB 1.852 33.650 31.823 -0.041 0.000 1.110 93 V HN 0.063 nan 8.190 nan 0.000 0.453 94 T N 1.054 115.596 114.554 -0.020 0.000 3.032 94 T HA 0.706 5.056 4.350 -0.000 0.000 0.312 94 T C -0.787 173.898 174.700 -0.024 0.000 1.078 94 T CA -0.195 61.905 62.100 -0.000 0.000 1.028 94 T CB 1.451 70.323 68.868 0.006 0.000 1.091 94 T HN 1.604 nan 8.240 nan 0.000 0.457 95 V N 0.924 120.830 119.914 -0.014 0.000 3.130 95 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 95 V C -0.525 175.567 176.094 -0.003 0.000 1.158 95 V CA -1.587 60.678 62.300 -0.059 0.000 1.029 95 V CB 2.135 33.848 31.823 -0.183 0.000 1.057 95 V HN 0.848 nan 8.190 nan 0.000 0.436 96 R N 1.651 122.141 120.500 -0.017 0.000 2.196 96 R HA 0.779 5.119 4.340 -0.000 0.000 0.340 96 R C -0.268 176.049 176.300 0.028 0.000 1.043 96 R CA 0.316 56.432 56.100 0.027 0.000 0.883 96 R CB 0.613 30.921 30.300 0.012 0.000 1.078 96 R HN 1.250 nan 8.270 nan 0.000 0.462 97 A N 4.057 126.944 122.820 0.112 0.000 2.386 97 A HA 0.448 4.768 4.320 -0.000 0.000 0.308 97 A C -0.861 176.859 177.584 0.225 0.000 1.128 97 A CA -1.060 51.070 52.037 0.156 0.000 0.789 97 A CB 1.149 20.322 19.000 0.288 0.000 1.325 97 A HN 0.776 nan 8.150 nan 0.000 0.437 98 N N 0.422 119.256 118.700 0.223 0.000 2.513 98 N HA 0.368 5.108 4.740 -0.000 0.000 0.268 98 N C -0.871 174.823 175.510 0.306 0.000 1.180 98 N CA 0.590 53.771 53.050 0.219 0.000 0.948 98 N CB 0.716 39.311 38.487 0.180 0.000 1.083 98 N HN 0.506 nan 8.380 nan 0.000 0.455 99 I N 0.752 121.452 120.570 0.217 0.000 2.533 99 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 99 I C -0.289 175.874 176.117 0.077 0.000 1.056 99 I CA -1.066 60.278 61.300 0.072 0.000 1.057 99 I CB 2.006 39.993 38.000 -0.022 0.000 1.240 99 I HN 0.362 nan 8.210 nan 0.000 0.423 100 A N 4.844 127.640 122.820 -0.039 0.000 2.253 100 A HA 0.756 5.076 4.320 -0.000 0.000 0.316 100 A C 0.139 177.681 177.584 -0.069 0.000 1.327 100 A CA -0.488 51.565 52.037 0.027 0.000 0.917 100 A CB 0.604 19.632 19.000 0.047 0.000 1.162 100 A HN 0.801 nan 8.150 nan 0.000 0.535 101 A N 4.196 127.062 122.820 0.076 0.000 2.527 101 A HA 0.519 4.839 4.320 -0.000 0.000 0.313 101 A C 0.153 177.765 177.584 0.047 0.000 1.410 101 A CA -0.285 51.805 52.037 0.087 0.000 1.060 101 A CB -0.613 18.459 19.000 0.120 0.000 1.137 101 A HN 0.773 nan 8.150 nan 0.000 0.542 102 I N 3.101 123.651 120.570 -0.033 0.000 2.587 102 I HA 0.037 4.206 4.170 -0.000 0.000 0.284 102 I C 1.442 177.608 176.117 0.081 0.000 1.134 102 I CA 0.554 61.849 61.300 -0.007 0.000 1.410 102 I CB 0.905 38.824 38.000 -0.136 0.000 1.392 102 I HN 0.788 nan 8.210 nan 0.000 0.545 103 T N 0.701 115.313 114.554 0.098 0.000 3.003 103 T HA 0.228 4.578 4.350 -0.000 0.000 0.261 103 T C 0.283 175.034 174.700 0.086 0.000 1.003 103 T CA -0.235 61.907 62.100 0.070 0.000 0.917 103 T CB 0.509 69.408 68.868 0.052 0.000 1.084 103 T HN 0.535 nan 8.240 nan 0.000 0.522 104 E N 1.421 121.696 120.200 0.124 0.000 2.354 104 E HA 0.503 4.852 4.350 -0.000 0.000 0.283 104 E C -1.613 175.075 176.600 0.148 0.000 0.938 104 E CA -0.255 56.223 56.400 0.129 0.000 0.777 104 E CB 2.244 32.005 29.700 0.103 0.000 1.222 104 E HN 0.380 nan 8.360 nan 0.000 0.423 105 S N 2.370 118.176 115.700 0.177 0.000 2.615 105 S HA 0.805 5.274 4.470 -0.000 0.000 0.269 105 S C -1.502 173.211 174.600 0.189 0.000 1.161 105 S CA -0.927 57.366 58.200 0.156 0.000 0.817 105 S CB 1.831 65.086 63.200 0.092 0.000 1.131 105 S HN 0.317 nan 8.310 nan 0.000 0.467 106 D N 0.192 120.706 120.400 0.190 0.000 2.977 106 D HA 0.504 5.144 4.640 -0.000 0.000 0.220 106 D C -1.122 175.306 176.300 0.214 0.000 1.267 106 D CA -0.776 53.337 54.000 0.188 0.000 0.884 106 D CB 1.457 42.341 40.800 0.140 0.000 1.667 106 D HN 0.697 nan 8.370 nan 0.000 0.536 107 K N 0.449 120.971 120.400 0.204 0.000 3.088 107 K HA -0.272 4.048 4.320 -0.000 0.000 0.273 107 K C 0.023 176.725 176.600 0.168 0.000 1.111 107 K CA 0.433 56.823 56.287 0.171 0.000 0.803 107 K CB -0.976 31.602 32.500 0.131 0.000 1.226 107 K HN 0.451 nan 8.250 nan 0.000 0.485 108 F N 0.376 120.336 119.950 0.017 0.000 2.389 108 F HA 0.258 4.785 4.527 -0.000 0.000 0.275 108 F C 0.711 176.482 175.800 -0.049 0.000 1.009 108 F CA 0.052 58.002 58.000 -0.083 0.000 1.187 108 F CB 0.219 39.061 39.000 -0.263 0.000 1.139 108 F HN -0.108 nan 8.300 nan 0.000 0.613 109 F N 1.854 121.772 119.950 -0.054 0.000 2.450 109 F HA 0.294 4.821 4.527 -0.000 0.000 0.339 109 F C 0.147 175.892 175.800 -0.091 0.000 1.146 109 F CA -0.367 57.450 58.000 -0.306 0.000 1.267 109 F CB 0.044 38.808 39.000 -0.393 0.000 1.178 109 F HN -0.216 nan 8.300 nan 0.000 0.585 110 I N 2.302 122.824 120.570 -0.079 0.000 2.362 110 I HA 0.167 4.336 4.170 -0.000 0.000 0.289 110 I C -0.268 175.670 176.117 -0.297 0.000 0.994 110 I CA -0.918 60.320 61.300 -0.103 0.000 1.158 110 I CB 1.327 39.281 38.000 -0.077 0.000 1.315 110 I HN 0.438 nan 8.210 nan 0.000 0.451 111 N N 4.738 123.013 118.700 -0.709 0.000 2.427 111 N HA 0.277 5.017 4.740 -0.000 0.000 0.269 111 N C 0.709 175.934 175.510 -0.475 0.000 1.235 111 N CA 1.511 53.922 53.050 -1.065 0.000 0.934 111 N CB 0.673 38.080 38.487 -1.800 0.000 1.121 111 N HN 0.890 nan 8.380 nan 0.000 0.480 112 G N 1.491 110.105 108.800 -0.309 0.000 2.391 112 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.204 112 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.204 112 G C 0.183 175.032 174.900 -0.086 0.000 1.012 112 G CA 0.129 45.131 45.100 -0.163 0.000 0.651 112 G HN 0.982 nan 8.290 nan 0.000 0.494 113 S N 0.038 115.637 115.700 -0.169 0.000 2.569 113 S HA 0.306 4.775 4.470 -0.000 0.000 0.274 113 S C 0.753 175.235 174.600 -0.198 0.000 1.353 113 S CA 0.897 58.975 58.200 -0.203 0.000 1.023 113 S CB 1.229 64.112 63.200 -0.529 0.000 0.876 113 S HN 0.579 nan 8.310 nan 0.000 0.540 114 N N 1.166 119.717 118.700 -0.248 0.000 2.234 114 N HA 0.145 4.885 4.740 -0.000 0.000 0.227 114 N C -0.436 174.700 175.510 -0.623 0.000 1.151 114 N CA -0.580 52.201 53.050 -0.449 0.000 0.865 114 N CB 0.246 38.525 38.487 -0.347 0.000 1.066 114 N HN 0.821 nan 8.380 nan 0.000 0.515 115 W N 0.201 121.210 121.300 -0.486 0.000 2.639 115 W HA 0.502 5.162 4.660 -0.000 0.000 0.347 115 W C -0.581 175.849 176.519 -0.148 0.000 1.067 115 W CA -0.611 56.465 57.345 -0.448 0.000 1.218 115 W CB 0.696 29.947 29.460 -0.349 0.000 1.393 115 W HN -0.132 nan 8.180 nan 0.000 0.557 116 E N 1.336 121.650 120.200 0.189 0.000 2.562 116 E HA 0.350 4.699 4.350 -0.000 0.000 0.214 116 E C 0.526 177.395 176.600 0.449 0.000 0.979 116 E CA 0.063 56.548 56.400 0.141 0.000 1.002 116 E CB 1.402 31.114 29.700 0.020 0.000 1.048 116 E HN 0.646 nan 8.360 nan 0.000 0.488 117 G N 0.026 109.182 108.800 0.594 0.000 2.608 117 G HA2 0.550 4.510 3.960 -0.000 0.000 0.291 117 G HA3 0.550 4.510 3.960 -0.000 0.000 0.291 117 G C -1.763 173.304 174.900 0.278 0.000 1.425 117 G CA -0.744 44.613 45.100 0.428 0.000 0.787 117 G HN 0.066 nan 8.290 nan 0.000 0.484 118 I N -0.155 120.513 120.570 0.163 0.000 2.509 118 I HA 0.694 4.864 4.170 -0.000 0.000 0.293 118 I C -1.380 174.835 176.117 0.163 0.000 1.020 118 I CA -1.285 60.059 61.300 0.073 0.000 1.088 118 I CB 1.945 40.014 38.000 0.115 0.000 1.267 118 I HN 0.411 nan 8.210 nan 0.000 0.430 119 L N 7.807 129.083 121.223 0.089 0.000 2.313 119 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 119 L C 0.026 176.899 176.870 0.005 0.000 1.028 119 L CA -0.094 54.784 54.840 0.063 0.000 0.871 119 L CB 0.890 42.858 42.059 -0.152 0.000 1.242 119 L HN 0.629 nan 8.230 nan 0.000 0.434 120 G N 5.122 113.972 108.800 0.083 0.000 2.372 120 G HA2 0.332 4.292 3.960 -0.000 0.000 0.286 120 G HA3 0.332 4.292 3.960 -0.000 0.000 0.286 120 G C 0.499 175.406 174.900 0.012 0.000 1.153 120 G CA -0.374 44.761 45.100 0.058 0.000 0.985 120 G HN 0.717 nan 8.290 nan 0.000 0.429 121 L N 1.992 123.180 121.223 -0.058 0.000 2.611 121 L HA 0.237 4.576 4.340 -0.000 0.000 0.229 121 L C 1.822 178.682 176.870 -0.016 0.000 1.137 121 L CA -0.202 54.568 54.840 -0.117 0.000 0.901 121 L CB -0.138 41.664 42.059 -0.429 0.000 1.098 121 L HN 0.589 nan 8.230 nan 0.000 0.456 122 A N -1.053 121.733 122.820 -0.056 0.000 2.301 122 A HA 0.427 4.747 4.320 -0.000 0.000 0.287 122 A C -0.674 176.679 177.584 -0.384 0.000 1.274 122 A CA -0.265 51.573 52.037 -0.332 0.000 0.865 122 A CB 0.091 18.944 19.000 -0.246 0.000 1.324 122 A HN 0.091 nan 8.150 nan 0.000 0.508 123 Y N -1.304 118.889 120.300 -0.179 0.000 2.314 123 Y HA 0.387 4.936 4.550 -0.000 0.000 0.334 123 Y C 1.700 177.586 175.900 -0.024 0.000 1.266 123 Y CA 0.345 58.405 58.100 -0.067 0.000 1.391 123 Y CB 0.580 39.005 38.460 -0.058 0.000 1.306 123 Y HN 0.678 nan 8.280 nan 0.000 0.558 124 A N 0.884 123.822 122.820 0.197 0.000 1.940 124 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 124 A C 2.003 179.650 177.584 0.105 0.000 1.176 124 A CA 1.903 54.014 52.037 0.124 0.000 0.631 124 A CB -0.749 18.319 19.000 0.113 0.000 0.814 124 A HN 0.877 nan 8.150 nan 0.000 0.446 125 E N 0.527 120.808 120.200 0.134 0.000 2.236 125 E HA -0.223 4.127 4.350 -0.000 0.000 0.205 125 E C 1.360 178.030 176.600 0.116 0.000 1.028 125 E CA 1.859 58.337 56.400 0.130 0.000 0.827 125 E CB -0.447 29.371 29.700 0.196 0.000 0.735 125 E HN 0.842 nan 8.360 nan 0.000 0.470 126 I N -3.518 117.084 120.570 0.053 0.000 4.009 126 I HA 0.522 4.692 4.170 -0.000 0.000 0.331 126 I C 0.485 176.592 176.117 -0.017 0.000 1.462 126 I CA -0.439 60.849 61.300 -0.019 0.000 1.117 126 I CB 0.315 38.157 38.000 -0.264 0.000 1.091 126 I HN 0.018 nan 8.210 nan 0.000 0.410 127 A N 1.574 124.408 122.820 0.024 0.000 2.351 127 A HA 0.705 5.025 4.320 -0.000 0.000 0.257 127 A C -0.062 177.540 177.584 0.031 0.000 1.087 127 A CA -0.247 51.817 52.037 0.044 0.000 0.798 127 A CB 0.471 19.515 19.000 0.074 0.000 1.033 127 A HN 0.501 nan 8.150 nan 0.000 0.488 128 R N 1.137 121.652 120.500 0.025 0.000 2.778 128 R HA 0.464 4.804 4.340 -0.000 0.000 0.277 128 R C -1.816 174.495 176.300 0.018 0.000 0.977 128 R CA -1.655 54.434 56.100 -0.018 0.000 0.950 128 R CB 1.402 31.626 30.300 -0.126 0.000 1.165 128 R HN 0.533 nan 8.270 nan 0.000 0.474 129 P HA -0.090 nan 4.420 nan 0.000 0.219 129 P C -0.789 176.514 177.300 0.005 0.000 1.150 129 P CA 1.259 64.353 63.100 -0.009 0.000 0.814 129 P CB 0.260 31.962 31.700 0.003 0.000 0.787 130 D N -2.125 118.289 120.400 0.022 0.000 2.615 130 D HA 0.070 4.710 4.640 -0.000 0.000 0.267 130 D C 0.007 176.331 176.300 0.040 0.000 1.236 130 D CA -0.695 53.321 54.000 0.028 0.000 0.839 130 D CB -0.244 40.569 40.800 0.023 0.000 1.380 130 D HN -0.291 nan 8.370 nan 0.000 0.433 131 D N -0.560 119.865 120.400 0.042 0.000 2.411 131 D HA -0.172 4.468 4.640 -0.000 0.000 0.226 131 D C 1.289 177.619 176.300 0.051 0.000 0.988 131 D CA 1.109 55.140 54.000 0.052 0.000 0.938 131 D CB -0.520 40.309 40.800 0.049 0.000 0.883 131 D HN 0.306 nan 8.370 nan 0.000 0.525 132 S N -0.669 115.057 115.700 0.044 0.000 2.470 132 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 132 S C 0.878 175.509 174.600 0.052 0.000 1.006 132 S CA -0.536 57.689 58.200 0.042 0.000 0.934 132 S CB -0.415 62.805 63.200 0.034 0.000 0.778 132 S HN 0.214 nan 8.310 nan 0.000 0.517 133 L N 3.562 124.823 121.223 0.063 0.000 2.385 133 L HA 0.362 4.701 4.340 -0.000 0.000 0.285 133 L C 0.218 177.141 176.870 0.088 0.000 1.125 133 L CA -0.217 54.671 54.840 0.080 0.000 0.890 133 L CB -0.300 41.816 42.059 0.094 0.000 1.251 133 L HN 0.323 nan 8.230 nan 0.000 0.445 134 E N 6.492 126.739 120.200 0.078 0.000 2.493 134 E HA 0.071 4.420 4.350 -0.000 0.000 0.255 134 E C -2.125 174.533 176.600 0.097 0.000 0.999 134 E CA -1.344 55.101 56.400 0.075 0.000 0.934 134 E CB 0.558 30.286 29.700 0.047 0.000 0.940 134 E HN 0.453 nan 8.360 nan 0.000 0.473 135 P HA -0.045 nan 4.420 nan 0.000 0.270 135 P C -0.046 177.326 177.300 0.121 0.000 1.223 135 P CA -0.172 63.010 63.100 0.136 0.000 0.785 135 P CB 0.378 32.150 31.700 0.120 0.000 0.923 136 F N 1.737 121.694 119.950 0.012 0.000 2.043 136 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 136 F C 2.049 177.805 175.800 -0.073 0.000 1.121 136 F CA 1.554 59.503 58.000 -0.086 0.000 1.199 136 F CB -0.849 37.990 39.000 -0.268 0.000 0.968 136 F HN 0.210 nan 8.300 nan 0.000 0.478 137 F N 1.521 121.413 119.950 -0.096 0.000 2.120 137 F HA -0.272 4.254 4.527 -0.000 0.000 0.300 137 F C 2.447 178.137 175.800 -0.184 0.000 1.095 137 F CA 2.272 60.168 58.000 -0.172 0.000 1.249 137 F CB -0.711 38.264 39.000 -0.043 0.000 0.995 137 F HN 0.070 nan 8.300 nan 0.000 0.480 138 D N -0.623 119.805 120.400 0.047 0.000 2.104 138 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 138 D C 2.332 178.548 176.300 -0.141 0.000 0.994 138 D CA 1.925 55.934 54.000 0.016 0.000 0.830 138 D CB -0.343 40.501 40.800 0.073 0.000 0.959 138 D HN 0.264 nan 8.370 nan 0.000 0.452 139 S N 0.678 116.245 115.700 -0.221 0.000 2.419 139 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 139 S C 1.834 176.196 174.600 -0.396 0.000 1.016 139 S CA 0.256 58.298 58.200 -0.263 0.000 0.974 139 S CB -0.095 62.959 63.200 -0.244 0.000 0.786 139 S HN 0.163 nan 8.310 nan 0.000 0.492 140 L N 1.920 122.760 121.223 -0.639 0.000 2.007 140 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 140 L C 2.194 178.802 176.870 -0.435 0.000 1.073 140 L CA 1.609 56.048 54.840 -0.669 0.000 0.744 140 L CB -0.911 40.557 42.059 -0.986 0.000 0.898 140 L HN 0.111 nan 8.230 nan 0.000 0.435 141 V N 0.206 119.853 119.914 -0.445 0.000 2.380 141 V HA -0.355 3.765 4.120 -0.000 0.000 0.251 141 V C 2.637 178.662 176.094 -0.116 0.000 1.063 141 V CA 2.231 64.393 62.300 -0.231 0.000 1.055 141 V CB -0.894 30.860 31.823 -0.115 0.000 0.657 141 V HN 0.469 nan 8.190 nan 0.000 0.455 142 K N -0.164 120.164 120.400 -0.120 0.000 1.984 142 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 142 K C 2.098 178.653 176.600 -0.075 0.000 1.046 142 K CA 1.598 57.844 56.287 -0.068 0.000 0.934 142 K CB -0.245 32.217 32.500 -0.063 0.000 0.717 142 K HN 0.502 nan 8.250 nan 0.000 0.438 143 Q N 0.511 120.238 119.800 -0.121 0.000 2.515 143 Q HA -0.038 4.301 4.340 -0.000 0.000 0.212 143 Q C 0.454 176.365 176.000 -0.148 0.000 0.970 143 Q CA 0.702 56.433 55.803 -0.121 0.000 0.941 143 Q CB 0.201 28.861 28.738 -0.130 0.000 0.998 143 Q HN 0.400 nan 8.270 nan 0.000 0.518 144 T N -5.053 109.414 114.554 -0.145 0.000 2.618 144 T HA 0.250 4.599 4.350 -0.000 0.000 0.286 144 T C -0.172 174.497 174.700 -0.050 0.000 1.027 144 T CA -0.827 61.163 62.100 -0.185 0.000 1.063 144 T CB 0.716 69.493 68.868 -0.152 0.000 1.440 144 T HN 0.153 nan 8.240 nan 0.000 0.505 145 H N -0.980 118.069 119.070 -0.035 0.000 2.486 145 H HA 0.491 5.047 4.556 -0.000 0.000 0.284 145 H C -0.226 175.104 175.328 0.003 0.000 1.103 145 H CA -0.573 55.467 56.048 -0.012 0.000 1.089 145 H CB 0.594 30.355 29.762 -0.002 0.000 1.603 145 H HN 0.193 nan 8.280 nan 0.000 0.557 146 V N 3.579 123.541 119.914 0.081 0.000 2.446 146 V HA 0.046 4.166 4.120 -0.000 0.000 0.276 146 V C -1.875 174.268 176.094 0.082 0.000 1.030 146 V CA -1.570 60.768 62.300 0.064 0.000 1.033 146 V CB 0.456 32.261 31.823 -0.030 0.000 0.993 146 V HN 0.191 nan 8.190 nan 0.000 0.477 147 P HA -0.032 nan 4.420 nan 0.000 0.265 147 P C 0.027 177.456 177.300 0.215 0.000 1.187 147 P CA 0.031 63.222 63.100 0.150 0.000 0.766 147 P CB 0.258 32.055 31.700 0.161 0.000 0.820 148 N N 3.743 122.574 118.700 0.218 0.000 2.971 148 N HA 0.181 4.921 4.740 -0.000 0.000 0.294 148 N C -0.751 174.983 175.510 0.373 0.000 1.210 148 N CA 0.101 53.368 53.050 0.362 0.000 1.157 148 N CB -1.221 37.425 38.487 0.265 0.000 1.450 148 N HN 0.338 nan 8.380 nan 0.000 0.527 149 L N -0.933 120.562 121.223 0.453 0.000 2.789 149 L HA 0.679 5.019 4.340 -0.000 0.000 0.258 149 L C -1.737 175.289 176.870 0.260 0.000 0.966 149 L CA -1.204 53.746 54.840 0.184 0.000 0.916 149 L CB 0.994 43.087 42.059 0.056 0.000 1.475 149 L HN 0.011 nan 8.230 nan 0.000 0.418 150 F N 0.016 119.898 119.950 -0.114 0.000 2.626 150 F HA 0.956 5.483 4.527 -0.000 0.000 0.311 150 F C -0.734 174.991 175.800 -0.126 0.000 1.088 150 F CA -0.377 57.553 58.000 -0.116 0.000 0.949 150 F CB 1.600 40.464 39.000 -0.227 0.000 1.322 150 F HN 0.722 nan 8.300 nan 0.000 0.461 151 S N 1.733 117.439 115.700 0.010 0.000 2.548 151 S HA 0.871 5.341 4.470 -0.000 0.000 0.286 151 S C -1.503 173.141 174.600 0.073 0.000 1.098 151 S CA -0.842 57.274 58.200 -0.141 0.000 0.930 151 S CB 1.897 64.896 63.200 -0.335 0.000 1.070 151 S HN 0.849 nan 8.310 nan 0.000 0.480 152 L N 1.686 122.931 121.223 0.037 0.000 2.385 152 L HA 0.574 4.914 4.340 -0.000 0.000 0.273 152 L C -0.406 176.580 176.870 0.193 0.000 0.990 152 L CA -0.426 54.476 54.840 0.104 0.000 0.821 152 L CB 2.105 44.193 42.059 0.048 0.000 1.279 152 L HN 0.813 nan 8.230 nan 0.000 0.412 153 Q N 4.711 124.599 119.800 0.147 0.000 2.674 153 Q HA 0.418 4.758 4.340 -0.000 0.000 0.249 153 Q C -1.518 174.440 176.000 -0.070 0.000 1.011 153 Q CA -0.509 55.364 55.803 0.115 0.000 0.734 153 Q CB 0.972 29.748 28.738 0.063 0.000 1.201 153 Q HN 0.627 nan 8.270 nan 0.000 0.498 154 L N 2.478 123.595 121.223 -0.176 0.000 2.313 154 L HA 0.246 4.586 4.340 -0.000 0.000 0.282 154 L C 0.399 177.200 176.870 -0.114 0.000 1.092 154 L CA -0.544 54.039 54.840 -0.428 0.000 0.831 154 L CB 0.790 42.461 42.059 -0.647 0.000 1.159 154 L HN 0.708 nan 8.230 nan 0.000 0.442 155 c N 2.309 120.919 118.600 0.017 0.000 3.038 155 c HA 0.342 4.912 4.570 -0.000 0.000 0.279 155 c C 1.545 175.715 174.090 0.133 0.000 1.276 155 c CA -0.033 56.344 56.329 0.081 0.000 1.697 155 c CB -1.068 41.475 42.510 0.054 0.000 2.032 155 c HN 1.183 nan 8.230 nan 0.000 0.636 156 G N 1.767 110.721 108.800 0.257 0.000 2.578 156 G HA2 0.041 4.000 3.960 -0.000 0.000 0.284 156 G HA3 0.041 4.000 3.960 -0.000 0.000 0.284 156 G C 0.153 175.096 174.900 0.071 0.000 1.283 156 G CA 0.128 45.321 45.100 0.154 0.000 0.944 156 G HN 0.992 nan 8.290 nan 0.000 0.558 169 S N 0.894 116.573 115.700 -0.034 0.000 2.545 169 S HA 0.607 5.076 4.470 -0.000 0.000 0.275 169 S C 0.380 174.943 174.600 -0.061 0.000 1.299 169 S CA 0.210 58.382 58.200 -0.046 0.000 1.048 169 S CB 0.279 63.462 63.200 -0.029 0.000 0.938 169 S HN 1.903 nan 8.310 nan 0.000 0.496 170 V N 2.578 122.425 119.914 -0.112 0.000 2.975 170 V HA 1.059 5.179 4.120 -0.000 0.000 0.318 170 V C 0.509 176.576 176.094 -0.046 0.000 1.077 170 V CA -0.456 61.785 62.300 -0.097 0.000 1.000 170 V CB 1.223 32.896 31.823 -0.250 0.000 1.066 170 V HN 0.918 nan 8.190 nan 0.000 0.452 171 G N -0.786 108.073 108.800 0.098 0.000 2.680 171 G HA2 0.900 4.860 3.960 -0.000 0.000 0.290 171 G HA3 0.900 4.860 3.960 -0.000 0.000 0.290 171 G C -0.520 174.507 174.900 0.212 0.000 1.355 171 G CA -0.387 44.778 45.100 0.110 0.000 0.903 171 G HN 1.595 nan 8.290 nan 0.000 0.474 172 G N -1.280 107.575 108.800 0.092 0.000 2.495 172 G HA2 0.592 4.552 3.960 -0.000 0.000 0.294 172 G HA3 0.592 4.552 3.960 -0.000 0.000 0.294 172 G C -1.422 173.460 174.900 -0.030 0.000 1.397 172 G CA -0.257 44.832 45.100 -0.019 0.000 0.790 172 G HN 1.039 nan 8.290 nan 0.000 0.486 173 S N -0.314 115.360 115.700 -0.043 0.000 2.547 173 S HA 0.648 5.118 4.470 -0.000 0.000 0.281 173 S C -0.560 174.048 174.600 0.013 0.000 1.118 173 S CA -0.521 57.674 58.200 -0.009 0.000 0.947 173 S CB 1.663 64.862 63.200 -0.002 0.000 1.053 173 S HN 0.761 nan 8.310 nan 0.000 0.482 174 M N 4.775 124.386 119.600 0.018 0.000 2.006 174 M HA 0.453 4.933 4.480 -0.000 0.000 0.314 174 M C -1.621 174.706 176.300 0.045 0.000 0.926 174 M CA -0.671 54.649 55.300 0.033 0.000 0.906 174 M CB 0.104 32.696 32.600 -0.014 0.000 1.422 174 M HN 0.431 nan 8.290 nan 0.000 0.397 175 I N 6.184 126.783 120.570 0.048 0.000 2.363 175 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 175 I C -0.050 176.061 176.117 -0.009 0.000 1.075 175 I CA -0.107 61.151 61.300 -0.070 0.000 1.333 175 I CB -0.222 37.658 38.000 -0.200 0.000 1.415 175 I HN 0.703 nan 8.210 nan 0.000 0.502 176 I N 5.426 126.021 120.570 0.042 0.000 2.315 176 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 176 I C 1.204 177.423 176.117 0.171 0.000 1.006 176 I CA 0.073 61.490 61.300 0.196 0.000 1.265 176 I CB 1.355 39.482 38.000 0.212 0.000 1.387 176 I HN 0.856 nan 8.210 nan 0.000 0.475 177 G N 4.152 113.111 108.800 0.265 0.000 2.234 177 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.235 177 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.235 177 G C 0.270 175.297 174.900 0.211 0.000 0.997 177 G CA -0.191 45.058 45.100 0.249 0.000 0.623 177 G HN 1.088 nan 8.290 nan 0.000 0.514 178 G N -1.146 107.642 108.800 -0.021 0.000 2.634 178 G HA2 0.650 4.610 3.960 -0.000 0.000 0.309 178 G HA3 0.650 4.610 3.960 -0.000 0.000 0.309 178 G C -1.475 173.294 174.900 -0.218 0.000 1.299 178 G CA -0.467 44.623 45.100 -0.016 0.000 0.798 178 G HN 0.702 nan 8.290 nan 0.000 0.490 179 I N 0.807 121.416 120.570 0.065 0.000 2.474 179 I HA 0.327 4.497 4.170 -0.000 0.000 0.294 179 I C -1.281 175.055 176.117 0.366 0.000 1.005 179 I CA -0.649 60.768 61.300 0.195 0.000 1.113 179 I CB 2.269 40.397 38.000 0.213 0.000 1.289 179 I HN 0.313 nan 8.210 nan 0.000 0.436 180 D N 4.971 125.588 120.400 0.361 0.000 2.441 180 D HA 0.081 4.721 4.640 -0.000 0.000 0.231 180 D C 0.980 177.463 176.300 0.303 0.000 1.073 180 D CA -0.219 53.983 54.000 0.337 0.000 0.850 180 D CB 0.767 41.669 40.800 0.169 0.000 1.062 180 D HN 0.496 nan 8.370 nan 0.000 0.524 181 H N 2.498 121.690 119.070 0.205 0.000 2.492 181 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 181 H C 1.112 176.250 175.328 -0.317 0.000 1.095 181 H CA 1.259 57.287 56.048 -0.032 0.000 1.281 181 H CB 0.414 30.155 29.762 -0.035 0.000 1.374 181 H HN 0.255 nan 8.280 nan 0.000 0.545 182 S N -0.310 115.370 115.700 -0.033 0.000 2.481 182 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 182 S C 2.162 176.660 174.600 -0.171 0.000 0.996 182 S CA 0.436 58.554 58.200 -0.137 0.000 0.942 182 S CB 0.122 63.279 63.200 -0.073 0.000 0.768 182 S HN 0.373 nan 8.310 nan 0.000 0.520 183 L N 0.425 121.511 121.223 -0.228 0.000 2.558 183 L HA 0.223 4.563 4.340 -0.000 0.000 0.225 183 L C 0.241 176.985 176.870 -0.211 0.000 1.128 183 L CA 0.029 54.667 54.840 -0.337 0.000 0.868 183 L CB -0.215 41.403 42.059 -0.735 0.000 1.006 183 L HN 0.465 nan 8.230 nan 0.000 0.454 184 Y N -2.384 117.814 120.300 -0.170 0.000 2.615 184 Y HA 0.688 5.238 4.550 -0.000 0.000 0.341 184 Y C -0.471 175.474 175.900 0.076 0.000 1.089 184 Y CA -1.421 56.675 58.100 -0.006 0.000 1.049 184 Y CB 1.134 39.671 38.460 0.128 0.000 1.296 184 Y HN -0.115 nan 8.280 nan 0.000 0.470 185 T N -0.305 114.326 114.554 0.128 0.000 2.876 185 T HA 0.798 5.148 4.350 -0.000 0.000 0.289 185 T C 0.230 175.052 174.700 0.204 0.000 1.014 185 T CA -0.169 61.964 62.100 0.055 0.000 0.986 185 T CB 1.027 69.898 68.868 0.005 0.000 1.021 185 T HN 2.291 nan 8.240 nan 0.000 0.458 186 G N 1.955 110.867 108.800 0.187 0.000 2.568 186 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.222 186 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.222 186 G C -0.288 174.779 174.900 0.278 0.000 1.321 186 G CA -0.423 44.801 45.100 0.208 0.000 0.893 186 G HN 1.177 nan 8.290 nan 0.000 0.569 187 S N -0.444 115.401 115.700 0.242 0.000 2.586 187 S HA 0.627 5.097 4.470 -0.000 0.000 0.274 187 S C 0.295 174.955 174.600 0.099 0.000 1.281 187 S CA -0.471 57.836 58.200 0.179 0.000 1.035 187 S CB 1.365 64.751 63.200 0.311 0.000 0.962 187 S HN 0.656 nan 8.310 nan 0.000 0.512 188 L N 2.723 123.813 121.223 -0.221 0.000 2.272 188 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 188 L C -1.523 174.899 176.870 -0.747 0.000 1.032 188 L CA -0.495 54.073 54.840 -0.454 0.000 0.810 188 L CB 0.621 42.305 42.059 -0.626 0.000 1.205 188 L HN 0.710 nan 8.230 nan 0.000 0.422 189 W N 3.187 124.041 121.300 -0.744 0.000 2.606 189 W HA 0.445 5.105 4.660 -0.001 0.000 0.332 189 W C -0.781 175.080 176.519 -1.097 0.000 1.052 189 W CA -0.274 56.453 57.345 -1.030 0.000 1.223 189 W CB 1.157 29.677 29.460 -1.567 0.000 1.383 189 W HN 0.225 nan 8.180 nan 0.000 0.524 190 Y N 1.290 121.344 120.300 -0.410 0.000 2.352 190 Y HA 0.497 5.047 4.550 -0.001 0.000 0.339 190 Y C 0.562 176.584 175.900 0.204 0.000 0.992 190 Y CA -0.893 57.150 58.100 -0.096 0.000 1.100 190 Y CB 1.989 40.379 38.460 -0.116 0.000 1.192 190 Y HN 0.183 nan 8.280 nan 0.000 0.458 191 T N 4.841 119.713 114.554 0.531 0.000 2.888 191 T HA 0.555 4.905 4.350 -0.000 0.000 0.284 191 T C -2.813 172.063 174.700 0.293 0.000 1.017 191 T CA -2.651 59.734 62.100 0.475 0.000 1.022 191 T CB 1.132 70.241 68.868 0.401 0.000 1.013 191 T HN 0.259 nan 8.240 nan 0.000 0.465 192 P HA 0.356 nan 4.420 nan 0.000 0.274 192 P C -0.628 176.772 177.300 0.168 0.000 1.231 192 P CA -0.340 62.855 63.100 0.159 0.000 0.790 192 P CB 0.426 32.202 31.700 0.127 0.000 0.951 193 I N 3.164 123.829 120.570 0.159 0.000 2.281 193 I HA 0.181 4.350 4.170 -0.000 0.000 0.293 193 I C 1.942 178.157 176.117 0.164 0.000 1.085 193 I CA -0.151 61.269 61.300 0.201 0.000 1.257 193 I CB 0.344 38.484 38.000 0.234 0.000 1.430 193 I HN 0.445 nan 8.210 nan 0.000 0.489 194 R N 5.168 125.779 120.500 0.185 0.000 2.112 194 R HA -0.102 4.237 4.340 -0.000 0.000 0.242 194 R C 0.803 177.182 176.300 0.133 0.000 1.137 194 R CA 1.631 57.825 56.100 0.158 0.000 0.944 194 R CB 0.239 30.654 30.300 0.192 0.000 0.857 194 R HN 0.541 nan 8.270 nan 0.000 0.435 195 R N -0.221 120.406 120.500 0.212 0.000 2.584 195 R HA 0.120 4.460 4.340 -0.000 0.000 0.276 195 R C -1.414 175.023 176.300 0.229 0.000 1.046 195 R CA -0.450 55.733 56.100 0.139 0.000 0.906 195 R CB 1.696 31.999 30.300 0.005 0.000 1.215 195 R HN 0.102 nan 8.270 nan 0.000 0.449 196 E N 5.031 125.171 120.200 -0.100 0.000 1.972 196 E HA 0.043 4.392 4.350 -0.000 0.000 0.292 196 E C -0.170 176.324 176.600 -0.177 0.000 1.193 196 E CA -0.042 55.973 56.400 -0.642 0.000 1.228 196 E CB 0.187 29.148 29.700 -1.231 0.000 1.167 196 E HN 0.507 nan 8.360 nan 0.000 0.479 197 W N 0.526 121.813 121.300 -0.022 0.000 4.600 197 W HA 0.203 4.862 4.660 -0.000 0.000 0.182 197 W C -0.121 176.427 176.519 0.047 0.000 2.575 197 W CA -0.197 57.178 57.345 0.051 0.000 2.151 197 W CB -0.456 29.023 29.460 0.032 0.000 1.520 197 W HN -0.023 nan 8.180 nan 0.000 0.733 198 Y N 0.283 120.233 120.300 -0.583 0.000 2.408 198 Y HA 0.349 4.899 4.550 -0.000 0.000 0.324 198 Y C -0.337 175.463 175.900 -0.167 0.000 1.302 198 Y CA -0.653 57.158 58.100 -0.482 0.000 1.384 198 Y CB 0.372 38.352 38.460 -0.799 0.000 1.367 198 Y HN -0.209 nan 8.280 nan 0.000 0.525 199 Y N 1.215 121.670 120.300 0.258 0.000 2.632 199 Y HA 0.116 4.666 4.550 -0.001 0.000 0.336 199 Y C 0.376 176.410 175.900 0.223 0.000 1.237 199 Y CA -0.410 57.874 58.100 0.308 0.000 1.595 199 Y CB -0.335 38.335 38.460 0.349 0.000 1.508 199 Y HN 0.396 nan 8.280 nan 0.000 0.480 200 E N 2.465 122.859 120.200 0.325 0.000 2.313 200 E HA 0.493 4.842 4.350 -0.000 0.000 0.276 200 E C -0.766 175.990 176.600 0.261 0.000 1.031 200 E CA -0.473 56.097 56.400 0.282 0.000 0.857 200 E CB 0.889 30.846 29.700 0.429 0.000 1.040 200 E HN 0.402 nan 8.360 nan 0.000 0.408 201 V N 1.386 121.419 119.914 0.199 0.000 3.167 201 V HA 0.626 4.745 4.120 -0.000 0.000 0.310 201 V C -0.705 175.460 176.094 0.117 0.000 1.207 201 V CA -0.994 61.401 62.300 0.158 0.000 1.059 201 V CB 1.714 33.620 31.823 0.139 0.000 1.079 201 V HN 0.620 nan 8.190 nan 0.000 0.446 202 I N 1.784 122.401 120.570 0.079 0.000 2.418 202 I HA 0.482 4.651 4.170 -0.000 0.000 0.287 202 I C -0.721 175.389 176.117 -0.011 0.000 1.008 202 I CA -0.507 60.830 61.300 0.061 0.000 1.104 202 I CB 1.874 39.922 38.000 0.081 0.000 1.264 202 I HN 0.514 nan 8.210 nan 0.000 0.438 203 I N 7.040 127.604 120.570 -0.011 0.000 2.312 203 I HA 0.089 4.258 4.170 -0.000 0.000 0.291 203 I C 1.165 177.249 176.117 -0.054 0.000 1.031 203 I CA -0.265 60.973 61.300 -0.103 0.000 1.293 203 I CB 1.339 39.262 38.000 -0.128 0.000 1.403 203 I HN 0.484 nan 8.210 nan 0.000 0.484 204 V N 3.103 122.960 119.914 -0.095 0.000 3.621 204 V HA 0.388 4.508 4.120 -0.000 0.000 0.285 204 V C 0.572 176.596 176.094 -0.116 0.000 1.346 204 V CA 0.129 62.408 62.300 -0.035 0.000 1.104 204 V CB -0.322 31.491 31.823 -0.018 0.000 0.913 204 V HN 0.903 nan 8.190 nan 0.000 0.432 205 R N -0.514 119.794 120.500 -0.321 0.000 2.858 205 R HA 0.582 4.922 4.340 -0.000 0.000 0.252 205 R C -2.496 173.481 176.300 -0.538 0.000 1.063 205 R CA -0.349 55.472 56.100 -0.466 0.000 0.955 205 R CB 2.296 32.216 30.300 -0.633 0.000 1.259 205 R HN 0.073 nan 8.270 nan 0.000 0.477 206 V N 3.120 122.693 119.914 -0.568 0.000 2.709 206 V HA 0.527 4.646 4.120 -0.000 0.000 0.308 206 V C -0.630 175.384 176.094 -0.134 0.000 1.062 206 V CA -0.709 61.388 62.300 -0.338 0.000 0.901 206 V CB 2.032 33.612 31.823 -0.404 0.000 1.003 206 V HN 0.759 nan 8.190 nan 0.000 0.425 207 E N 4.038 124.212 120.200 -0.044 0.000 2.343 207 E HA 0.683 5.033 4.350 -0.000 0.000 0.270 207 E C -1.464 175.143 176.600 0.013 0.000 0.895 207 E CA -0.849 55.544 56.400 -0.013 0.000 0.767 207 E CB 3.278 32.987 29.700 0.016 0.000 1.248 207 E HN 0.500 nan 8.360 nan 0.000 0.440 208 I N 2.348 122.928 120.570 0.018 0.000 2.468 208 I HA 0.218 4.387 4.170 -0.000 0.000 0.285 208 I C -0.180 175.962 176.117 0.042 0.000 1.039 208 I CA -0.568 60.752 61.300 0.034 0.000 1.074 208 I CB 1.204 39.220 38.000 0.025 0.000 1.228 208 I HN 0.511 nan 8.210 nan 0.000 0.436 209 N N 4.775 123.514 118.700 0.065 0.000 2.747 209 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 209 N C 0.919 176.458 175.510 0.048 0.000 1.107 209 N CA 1.398 54.487 53.050 0.066 0.000 0.707 209 N CB -0.640 37.883 38.487 0.061 0.000 1.054 209 N HN 1.194 nan 8.380 nan 0.000 0.555 210 G N -0.552 108.275 108.800 0.044 0.000 2.176 210 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.253 210 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.253 210 G C -0.186 174.722 174.900 0.013 0.000 0.979 210 G CA 0.701 45.822 45.100 0.035 0.000 0.641 210 G HN 0.658 nan 8.290 nan 0.000 0.530 211 Q N 0.833 120.637 119.800 0.007 0.000 2.325 211 Q HA 0.481 4.821 4.340 -0.000 0.000 0.262 211 Q C -0.432 175.554 176.000 -0.023 0.000 0.968 211 Q CA -0.800 54.997 55.803 -0.010 0.000 0.877 211 Q CB 0.973 29.708 28.738 -0.005 0.000 1.253 211 Q HN 0.198 nan 8.270 nan 0.000 0.448 212 D N 3.174 123.545 120.400 -0.048 0.000 2.478 212 D HA -0.095 4.545 4.640 -0.000 0.000 0.234 212 D C 0.478 176.768 176.300 -0.016 0.000 1.154 212 D CA 0.475 54.440 54.000 -0.059 0.000 0.874 212 D CB 0.891 41.641 40.800 -0.084 0.000 1.198 212 D HN 0.730 nan 8.370 nan 0.000 0.455 213 L N 1.881 123.116 121.223 0.020 0.000 2.591 213 L HA 0.015 4.355 4.340 -0.000 0.000 0.228 213 L C 0.403 177.292 176.870 0.032 0.000 1.133 213 L CA 0.051 54.918 54.840 0.046 0.000 0.880 213 L CB -0.228 41.902 42.059 0.118 0.000 1.033 213 L HN 0.517 nan 8.230 nan 0.000 0.450 214 K N 0.703 121.116 120.400 0.022 0.000 3.653 214 K HA -0.188 4.132 4.320 -0.000 0.000 0.275 214 K C -0.814 175.776 176.600 -0.017 0.000 0.962 214 K CA 1.089 57.374 56.287 -0.003 0.000 0.773 214 K CB -1.413 31.076 32.500 -0.020 0.000 1.463 214 K HN 0.273 nan 8.250 nan 0.000 0.450 215 M N -0.180 119.413 119.600 -0.011 0.000 2.501 215 M HA 0.269 4.749 4.480 -0.000 0.000 0.293 215 M C -0.276 175.919 176.300 -0.175 0.000 1.192 215 M CA -1.119 54.096 55.300 -0.141 0.000 0.886 215 M CB 1.886 34.307 32.600 -0.298 0.000 1.710 215 M HN 0.100 nan 8.290 nan 0.000 0.457 216 D N 1.464 121.752 120.400 -0.186 0.000 2.493 216 D HA -0.008 4.631 4.640 -0.000 0.000 0.240 216 D C 1.167 177.347 176.300 -0.199 0.000 1.142 216 D CA -0.002 53.919 54.000 -0.132 0.000 0.872 216 D CB 1.170 41.902 40.800 -0.113 0.000 1.173 216 D HN 0.903 nan 8.370 nan 0.000 0.467 217 c N 3.702 122.301 118.600 -0.001 0.000 2.409 217 c HA -0.038 4.532 4.570 -0.000 0.000 0.284 217 c C 2.228 176.390 174.090 0.119 0.000 1.354 217 c CA 0.118 56.571 56.329 0.206 0.000 1.787 217 c CB -0.735 41.904 42.510 0.214 0.000 1.900 217 c HN 0.649 nan 8.230 nan 0.000 0.520 218 K N 0.681 121.089 120.400 0.014 0.000 2.147 218 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 218 K C 2.085 178.692 176.600 0.012 0.000 1.049 218 K CA 1.375 57.694 56.287 0.053 0.000 0.936 218 K CB -0.095 32.431 32.500 0.044 0.000 0.722 218 K HN 0.493 nan 8.250 nan 0.000 0.446 219 E N -0.380 119.721 120.200 -0.164 0.000 2.409 219 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 219 E C 1.294 177.818 176.600 -0.127 0.000 1.024 219 E CA 0.991 57.276 56.400 -0.192 0.000 0.861 219 E CB -0.013 29.497 29.700 -0.317 0.000 0.788 219 E HN 0.530 nan 8.360 nan 0.000 0.521 220 Y N 0.358 120.687 120.300 0.049 0.000 2.448 220 Y HA 0.077 4.627 4.550 -0.001 0.000 0.289 220 Y C 1.296 177.225 175.900 0.048 0.000 1.114 220 Y CA 0.267 58.390 58.100 0.038 0.000 1.235 220 Y CB 0.376 38.843 38.460 0.012 0.000 1.045 220 Y HN -0.023 nan 8.280 nan 0.000 0.554 221 N N -0.502 118.327 118.700 0.215 0.000 2.458 221 N HA 0.012 4.751 4.740 -0.000 0.000 0.274 221 N C -1.341 174.251 175.510 0.137 0.000 1.242 221 N CA -0.019 53.131 53.050 0.167 0.000 0.904 221 N CB 0.236 38.837 38.487 0.189 0.000 1.206 221 N HN 0.202 nan 8.380 nan 0.000 0.510 222 Y N 2.588 122.832 120.300 -0.094 0.000 2.369 222 Y HA 0.187 4.737 4.550 -0.000 0.000 0.337 222 Y C 0.573 176.308 175.900 -0.276 0.000 0.961 222 Y CA -1.297 56.604 58.100 -0.331 0.000 1.186 222 Y CB 0.700 38.986 38.460 -0.290 0.000 1.139 222 Y HN 0.037 nan 8.280 nan 0.000 0.494 223 D N 4.580 124.528 120.400 -0.752 0.000 2.363 223 D HA 0.121 4.761 4.640 -0.000 0.000 0.214 223 D C -0.518 175.676 176.300 -0.177 0.000 1.093 223 D CA 0.019 53.503 54.000 -0.861 0.000 0.837 223 D CB 0.244 40.553 40.800 -0.819 0.000 0.948 223 D HN 0.667 nan 8.370 nan 0.000 0.507 224 K N -2.186 118.165 120.400 -0.082 0.000 2.931 224 K HA 0.418 4.738 4.320 -0.000 0.000 0.292 224 K C -1.860 174.747 176.600 0.011 0.000 1.077 224 K CA -0.824 55.505 56.287 0.071 0.000 0.829 224 K CB 0.675 33.250 32.500 0.125 0.000 1.488 224 K HN -0.169 nan 8.250 nan 0.000 0.358 225 S N 0.707 116.439 115.700 0.053 0.000 2.538 225 S HA 0.742 5.211 4.470 -0.000 0.000 0.288 225 S C -0.775 173.846 174.600 0.035 0.000 1.108 225 S CA -0.808 57.409 58.200 0.030 0.000 0.971 225 S CB 0.757 63.992 63.200 0.059 0.000 1.041 225 S HN 0.587 nan 8.310 nan 0.000 0.483 226 I N -0.931 119.645 120.570 0.010 0.000 3.095 226 I HA 0.790 4.960 4.170 -0.000 0.000 0.310 226 I C -1.420 174.766 176.117 0.114 0.000 1.196 226 I CA -1.269 60.068 61.300 0.061 0.000 0.985 226 I CB 1.877 39.859 38.000 -0.030 0.000 1.250 226 I HN 0.274 nan 8.210 nan 0.000 0.446 227 V N 2.351 122.388 119.914 0.205 0.000 2.370 227 V HA 0.469 4.588 4.120 -0.000 0.000 0.283 227 V C -1.078 175.174 176.094 0.262 0.000 1.023 227 V CA 0.115 62.547 62.300 0.219 0.000 0.857 227 V CB 1.033 32.966 31.823 0.184 0.000 0.985 227 V HN 0.810 nan 8.190 nan 0.000 0.443 228 D N 2.662 123.176 120.400 0.189 0.000 2.479 228 D HA 0.244 4.884 4.640 -0.000 0.000 0.246 228 D C 0.927 177.295 176.300 0.113 0.000 1.336 228 D CA -0.046 54.050 54.000 0.160 0.000 0.967 228 D CB 1.971 42.846 40.800 0.125 0.000 1.275 228 D HN 0.421 nan 8.370 nan 0.000 0.577 229 S N 1.526 117.278 115.700 0.088 0.000 2.507 229 S HA 0.035 4.505 4.470 -0.000 0.000 0.235 229 S C 1.819 176.452 174.600 0.055 0.000 0.988 229 S CA 0.490 58.722 58.200 0.054 0.000 0.944 229 S CB 0.065 63.256 63.200 -0.015 0.000 0.762 229 S HN 0.462 nan 8.310 nan 0.000 0.526 230 G N 0.386 109.209 108.800 0.039 0.000 2.985 230 G HA2 0.285 4.245 3.960 -0.000 0.000 0.209 230 G HA3 0.285 4.245 3.960 -0.000 0.000 0.209 230 G C 0.129 175.034 174.900 0.007 0.000 1.165 230 G CA 0.019 45.123 45.100 0.008 0.000 0.776 230 G HN 0.476 nan 8.290 nan 0.000 0.541 231 T N -0.190 114.382 114.554 0.029 0.000 2.856 231 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 231 T C 1.266 175.982 174.700 0.027 0.000 1.008 231 T CA -0.401 61.707 62.100 0.014 0.000 0.997 231 T CB 2.062 70.936 68.868 0.010 0.000 0.992 231 T HN -0.033 nan 8.240 nan 0.000 0.454 232 T N 3.053 117.611 114.554 0.007 0.000 2.668 232 T HA -0.027 4.323 4.350 -0.000 0.000 0.258 232 T C 0.980 175.690 174.700 0.016 0.000 1.051 232 T CA 1.107 63.216 62.100 0.015 0.000 1.155 232 T CB -0.218 68.644 68.868 -0.009 0.000 0.864 232 T HN 0.775 nan 8.240 nan 0.000 0.413 233 N N 0.712 119.402 118.700 -0.017 0.000 2.592 233 N HA 0.466 5.206 4.740 -0.000 0.000 0.292 233 N C -0.998 174.494 175.510 -0.029 0.000 1.260 233 N CA -1.041 51.992 53.050 -0.029 0.000 0.910 233 N CB 0.023 38.459 38.487 -0.085 0.000 1.257 233 N HN 0.080 nan 8.380 nan 0.000 0.569 234 L N -0.177 121.029 121.223 -0.029 0.000 2.455 234 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 234 L C -0.380 176.451 176.870 -0.064 0.000 1.174 234 L CA 0.465 55.294 54.840 -0.017 0.000 0.869 234 L CB -0.327 41.737 42.059 0.009 0.000 1.130 234 L HN 0.546 nan 8.230 nan 0.000 0.474 235 R N 6.409 126.877 120.500 -0.054 0.000 2.412 235 R HA 0.513 4.853 4.340 -0.000 0.000 0.304 235 R C -1.126 175.141 176.300 -0.055 0.000 1.066 235 R CA -0.607 55.437 56.100 -0.094 0.000 0.923 235 R CB 0.909 31.149 30.300 -0.100 0.000 1.156 235 R HN 0.633 nan 8.270 nan 0.000 0.513 236 L N 3.312 124.517 121.223 -0.031 0.000 2.387 236 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 236 L C -2.171 174.721 176.870 0.036 0.000 1.059 236 L CA -2.508 52.362 54.840 0.050 0.000 0.801 236 L CB 1.062 43.215 42.059 0.158 0.000 1.223 236 L HN 0.188 nan 8.230 nan 0.000 0.456 237 P HA 0.165 nan 4.420 nan 0.000 0.274 237 P C -0.154 177.232 177.300 0.144 0.000 1.246 237 P CA -0.490 62.652 63.100 0.070 0.000 0.795 237 P CB 0.688 32.445 31.700 0.096 0.000 1.006 238 K N 1.096 121.581 120.400 0.141 0.000 1.990 238 K HA -0.269 4.051 4.320 -0.000 0.000 0.225 238 K C 1.729 178.443 176.600 0.191 0.000 1.053 238 K CA 2.126 58.536 56.287 0.204 0.000 0.982 238 K CB -0.583 32.004 32.500 0.144 0.000 0.734 238 K HN 0.395 nan 8.250 nan 0.000 0.448 239 K N 0.659 121.124 120.400 0.110 0.000 2.077 239 K HA -0.208 4.112 4.320 -0.000 0.000 0.213 239 K C 2.185 178.819 176.600 0.057 0.000 1.051 239 K CA 2.057 58.375 56.287 0.051 0.000 0.929 239 K CB -0.526 31.974 32.500 -0.000 0.000 0.715 239 K HN 0.006 nan 8.250 nan 0.000 0.451 240 V N 1.091 121.062 119.914 0.096 0.000 2.307 240 V HA -0.225 3.894 4.120 -0.000 0.000 0.245 240 V C 2.019 178.224 176.094 0.185 0.000 1.045 240 V CA 1.617 63.997 62.300 0.133 0.000 1.024 240 V CB -0.612 31.320 31.823 0.183 0.000 0.651 240 V HN 0.202 nan 8.190 nan 0.000 0.449 241 F N 1.692 121.677 119.950 0.059 0.000 2.011 241 F HA -0.188 4.339 4.527 -0.000 0.000 0.296 241 F C 2.548 178.392 175.800 0.072 0.000 1.144 241 F CA 2.088 60.131 58.000 0.072 0.000 1.185 241 F CB -0.681 38.361 39.000 0.070 0.000 0.961 241 F HN 0.120 nan 8.300 nan 0.000 0.485 242 E N 0.828 120.916 120.200 -0.187 0.000 2.048 242 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 242 E C 2.388 178.855 176.600 -0.222 0.000 1.021 242 E CA 1.611 57.830 56.400 -0.303 0.000 0.825 242 E CB -1.349 28.284 29.700 -0.112 0.000 0.756 242 E HN 0.495 nan 8.360 nan 0.000 0.454 243 A N 1.477 124.238 122.820 -0.099 0.000 1.927 243 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 243 A C 2.441 179.984 177.584 -0.069 0.000 1.185 243 A CA 2.770 54.767 52.037 -0.067 0.000 0.639 243 A CB -0.715 18.275 19.000 -0.016 0.000 0.820 243 A HN 0.313 nan 8.150 nan 0.000 0.451 244 A N -0.953 121.841 122.820 -0.043 0.000 1.969 244 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 244 A C 2.211 179.757 177.584 -0.064 0.000 1.169 244 A CA 1.724 53.756 52.037 -0.009 0.000 0.635 244 A CB -0.659 18.390 19.000 0.081 0.000 0.810 244 A HN 0.400 nan 8.150 nan 0.000 0.445 245 V N 0.016 119.810 119.914 -0.201 0.000 2.302 245 V HA -0.193 3.927 4.120 -0.000 0.000 0.243 245 V C 2.413 178.272 176.094 -0.392 0.000 1.036 245 V CA 2.016 64.122 62.300 -0.323 0.000 1.020 245 V CB -0.725 30.790 31.823 -0.513 0.000 0.657 245 V HN 0.651 nan 8.190 nan 0.000 0.453 246 K N 0.207 120.415 120.400 -0.319 0.000 2.107 246 K HA -0.299 4.020 4.320 -0.000 0.000 0.211 246 K C 2.413 178.890 176.600 -0.206 0.000 1.049 246 K CA 2.154 58.287 56.287 -0.257 0.000 0.927 246 K CB -0.311 32.084 32.500 -0.176 0.000 0.714 246 K HN 0.417 nan 8.250 nan 0.000 0.452 247 S N -0.143 115.466 115.700 -0.151 0.000 2.395 247 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 247 S C 1.835 176.382 174.600 -0.088 0.000 1.027 247 S CA 0.702 58.845 58.200 -0.095 0.000 0.965 247 S CB -0.082 63.089 63.200 -0.049 0.000 0.812 247 S HN 0.343 nan 8.310 nan 0.000 0.482 248 I N 2.015 122.521 120.570 -0.108 0.000 2.333 248 I HA -0.121 4.049 4.170 -0.000 0.000 0.246 248 I C 2.357 178.398 176.117 -0.126 0.000 1.106 248 I CA 1.082 62.368 61.300 -0.022 0.000 1.411 248 I CB -0.308 37.771 38.000 0.131 0.000 1.082 248 I HN 0.385 nan 8.210 nan 0.000 0.420 249 K N 1.713 121.824 120.400 -0.482 0.000 2.280 249 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 249 K C 1.910 178.386 176.600 -0.207 0.000 1.047 249 K CA 1.378 57.342 56.287 -0.539 0.000 0.942 249 K CB -0.271 31.660 32.500 -0.948 0.000 0.739 249 K HN 0.247 nan 8.250 nan 0.000 0.457 250 A N 1.375 124.088 122.820 -0.178 0.000 2.030 250 A HA 0.287 4.606 4.320 -0.000 0.000 0.215 250 A C 2.322 179.867 177.584 -0.064 0.000 1.164 250 A CA 0.754 52.729 52.037 -0.103 0.000 0.697 250 A CB -0.263 18.677 19.000 -0.101 0.000 0.827 250 A HN 0.387 nan 8.150 nan 0.000 0.457 251 A N -0.548 122.241 122.820 -0.052 0.000 2.016 251 A HA 0.123 4.442 4.320 -0.000 0.000 0.217 251 A C 1.649 179.196 177.584 -0.062 0.000 1.162 251 A CA 1.548 53.569 52.037 -0.027 0.000 0.662 251 A CB -0.188 18.826 19.000 0.023 0.000 0.812 251 A HN 0.378 nan 8.150 nan 0.000 0.450 252 S N -0.636 115.004 115.700 -0.099 0.000 2.624 252 S HA 0.155 4.624 4.470 -0.000 0.000 0.246 252 S C 0.990 175.564 174.600 -0.043 0.000 1.072 252 S CA 0.247 58.326 58.200 -0.203 0.000 1.045 252 S CB 0.429 63.251 63.200 -0.629 0.000 0.851 252 S HN 0.432 nan 8.310 nan 0.000 0.480 253 S N 1.693 117.385 115.700 -0.014 0.000 2.595 253 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 253 S C 1.837 176.453 174.600 0.026 0.000 0.974 253 S CA 1.034 59.252 58.200 0.031 0.000 0.942 253 S CB -0.412 62.784 63.200 -0.007 0.000 0.766 253 S HN 0.595 nan 8.310 nan 0.000 0.536 254 T N 0.854 115.404 114.554 -0.007 0.000 3.155 254 T HA 0.085 4.435 4.350 -0.000 0.000 0.264 254 T C 0.288 174.982 174.700 -0.009 0.000 1.160 254 T CA 0.619 62.705 62.100 -0.023 0.000 1.075 254 T CB -0.154 68.681 68.868 -0.055 0.000 0.921 254 T HN 0.595 nan 8.240 nan 0.000 0.533 255 E N -0.465 119.763 120.200 0.047 0.000 2.421 255 E HA 0.550 4.900 4.350 -0.000 0.000 0.265 255 E C -1.374 175.269 176.600 0.072 0.000 0.990 255 E CA -1.064 55.350 56.400 0.023 0.000 0.874 255 E CB 1.729 31.446 29.700 0.029 0.000 1.646 255 E HN -0.013 nan 8.360 nan 0.000 0.451 256 K N 0.850 121.172 120.400 -0.129 0.000 2.498 256 K HA 0.565 4.884 4.320 -0.000 0.000 0.254 256 K C -1.964 174.460 176.600 -0.293 0.000 0.933 256 K CA -0.474 55.817 56.287 0.007 0.000 0.806 256 K CB 1.112 33.615 32.500 0.004 0.000 1.301 256 K HN 0.295 nan 8.250 nan 0.000 0.432 257 F N 2.539 122.585 119.950 0.160 0.000 2.578 257 F HA 0.449 4.975 4.527 -0.000 0.000 0.311 257 F C -1.908 174.019 175.800 0.212 0.000 1.094 257 F CA -2.003 56.050 58.000 0.087 0.000 0.923 257 F CB 1.290 40.231 39.000 -0.097 0.000 1.230 257 F HN 0.414 nan 8.300 nan 0.000 0.450 258 P HA 0.087 nan 4.420 nan 0.000 0.271 258 P C -0.162 177.365 177.300 0.378 0.000 1.233 258 P CA -0.110 63.150 63.100 0.265 0.000 0.789 258 P CB 1.072 32.877 31.700 0.175 0.000 0.951 259 D N 0.370 120.946 120.400 0.294 0.000 2.378 259 D HA -0.034 4.606 4.640 -0.000 0.000 0.222 259 D C 1.981 178.461 176.300 0.299 0.000 0.980 259 D CA 1.152 55.337 54.000 0.309 0.000 0.907 259 D CB -0.546 40.373 40.800 0.198 0.000 0.899 259 D HN 0.604 nan 8.370 nan 0.000 0.527 260 G N -0.068 108.888 108.800 0.260 0.000 2.408 260 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.213 260 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.213 260 G C 1.401 176.431 174.900 0.217 0.000 1.177 260 G CA -0.068 45.157 45.100 0.209 0.000 0.802 260 G HN 0.250 nan 8.290 nan 0.000 0.533 261 F N 1.014 121.003 119.950 0.066 0.000 2.063 261 F HA -0.139 4.388 4.527 -0.001 0.000 0.298 261 F C 1.666 177.402 175.800 -0.107 0.000 1.109 261 F CA 1.258 59.205 58.000 -0.088 0.000 1.212 261 F CB -0.350 38.495 39.000 -0.258 0.000 0.973 261 F HN 0.208 nan 8.300 nan 0.000 0.480 262 W N 1.280 122.655 121.300 0.125 0.000 3.422 262 W HA 0.200 4.860 4.660 -0.000 0.000 0.337 262 W C 0.293 176.983 176.519 0.284 0.000 1.234 262 W CA 0.120 57.480 57.345 0.024 0.000 1.686 262 W CB -0.440 29.018 29.460 -0.005 0.000 0.964 262 W HN 0.044 nan 8.180 nan 0.000 0.776 263 L N -0.091 121.326 121.223 0.323 0.000 4.013 263 L HA 0.213 4.553 4.340 -0.000 0.000 0.387 263 L C 1.693 178.636 176.870 0.122 0.000 1.204 263 L CA 0.352 55.358 54.840 0.278 0.000 1.313 263 L CB 0.118 42.322 42.059 0.241 0.000 1.538 263 L HN 0.135 nan 8.230 nan 0.000 0.625 264 G N 0.430 109.254 108.800 0.039 0.000 2.196 264 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 264 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 264 G C 0.878 175.785 174.900 0.011 0.000 0.975 264 G CA 0.882 45.967 45.100 -0.025 0.000 0.648 264 G HN 0.384 nan 8.290 nan 0.000 0.538 265 E N 0.060 120.291 120.200 0.053 0.000 2.077 265 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 265 E C 1.530 178.170 176.600 0.067 0.000 0.989 265 E CA 1.490 57.930 56.400 0.067 0.000 0.800 265 E CB 0.037 29.795 29.700 0.097 0.000 0.746 265 E HN 0.809 nan 8.360 nan 0.000 0.452 266 Q N -0.988 118.869 119.800 0.095 0.000 2.882 266 Q HA 0.626 4.966 4.340 -0.000 0.000 0.315 266 Q C -0.417 175.697 176.000 0.191 0.000 1.004 266 Q CA -0.647 55.226 55.803 0.116 0.000 0.777 266 Q CB 2.202 31.016 28.738 0.127 0.000 1.506 266 Q HN 0.040 nan 8.270 nan 0.000 0.489 267 L N -2.823 118.523 121.223 0.204 0.000 2.194 267 L HA 0.980 5.319 4.340 -0.000 0.000 0.248 267 L C -1.141 175.808 176.870 0.132 0.000 1.071 267 L CA -1.046 53.980 54.840 0.311 0.000 0.901 267 L CB 1.382 43.526 42.059 0.142 0.000 1.497 267 L HN 0.435 nan 8.230 nan 0.000 0.442 268 V N -0.677 119.216 119.914 -0.035 0.000 2.962 268 V HA 0.775 4.895 4.120 -0.000 0.000 0.313 268 V C -1.059 174.718 176.094 -0.528 0.000 1.099 268 V CA -0.324 61.742 62.300 -0.390 0.000 0.971 268 V CB 1.945 33.404 31.823 -0.606 0.000 1.028 268 V HN 1.006 nan 8.190 nan 0.000 0.430 269 c N 4.514 122.701 118.600 -0.688 0.000 2.898 269 c HA 0.821 5.391 4.570 -0.000 0.000 0.304 269 c C -1.429 172.267 174.090 -0.657 0.000 1.237 269 c CA -0.940 55.067 56.329 -0.537 0.000 1.529 269 c CB 1.720 44.083 42.510 -0.245 0.000 2.021 269 c HN 0.898 nan 8.230 nan 0.000 0.474 270 W N 0.508 121.824 121.300 0.025 0.000 3.217 270 W HA 0.372 5.032 4.660 -0.000 0.000 0.323 270 W C -0.920 175.598 176.519 -0.002 0.000 1.216 270 W CA -0.688 56.654 57.345 -0.005 0.000 1.194 270 W CB 0.830 30.275 29.460 -0.024 0.000 1.397 270 W HN 0.666 nan 8.180 nan 0.000 0.537 271 Q N 1.380 121.311 119.800 0.218 0.000 2.348 271 Q HA 0.250 4.589 4.340 -0.000 0.000 0.331 271 Q C 0.563 176.636 176.000 0.121 0.000 1.099 271 Q CA 0.583 56.457 55.803 0.119 0.000 1.021 271 Q CB 0.152 28.939 28.738 0.082 0.000 1.166 271 Q HN 0.362 nan 8.270 nan 0.000 0.393 272 A N 2.266 125.136 122.820 0.083 0.000 2.548 272 A HA 0.393 4.713 4.320 -0.000 0.000 0.247 272 A C 1.443 179.070 177.584 0.073 0.000 1.067 272 A CA 0.607 52.692 52.037 0.080 0.000 0.757 272 A CB -0.718 18.311 19.000 0.048 0.000 0.996 272 A HN 1.183 nan 8.150 nan 0.000 0.504 273 G N 1.664 110.517 108.800 0.087 0.000 2.258 273 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.233 273 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.233 273 G C 0.560 175.485 174.900 0.042 0.000 1.006 273 G CA 0.921 46.060 45.100 0.065 0.000 0.620 273 G HN 2.186 nan 8.290 nan 0.000 0.511 274 T N -0.038 114.536 114.554 0.033 0.000 3.332 274 T HA 0.609 4.959 4.350 -0.000 0.000 0.385 274 T C -0.173 174.451 174.700 -0.126 0.000 1.695 274 T CA 0.333 62.415 62.100 -0.029 0.000 1.397 274 T CB 1.170 70.027 68.868 -0.019 0.000 1.100 274 T HN 0.274 nan 8.240 nan 0.000 0.669 275 T N 5.188 119.597 114.554 -0.241 0.000 2.794 275 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 275 T C -2.301 171.963 174.700 -0.727 0.000 0.987 275 T CA -1.463 60.286 62.100 -0.585 0.000 0.993 275 T CB 1.597 69.961 68.868 -0.840 0.000 0.939 275 T HN 0.290 nan 8.240 nan 0.000 0.449 276 P HA 0.124 nan 4.420 nan 0.000 0.230 276 P C 0.103 177.334 177.300 -0.115 0.000 1.791 276 P CA -0.263 62.529 63.100 -0.513 0.000 1.020 276 P CB -0.189 31.110 31.700 -0.669 0.000 1.977 277 W N 2.250 123.576 121.300 0.044 0.000 2.354 277 W HA -0.209 4.450 4.660 -0.001 0.000 0.315 277 W C 2.426 179.083 176.519 0.229 0.000 1.206 277 W CA 0.743 58.192 57.345 0.172 0.000 1.290 277 W CB -0.715 28.796 29.460 0.084 0.000 1.152 277 W HN 0.232 nan 8.180 nan 0.000 0.489 278 N N 2.247 121.192 118.700 0.408 0.000 2.184 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 278 N C 1.374 176.974 175.510 0.150 0.000 1.011 278 N CA 2.279 55.480 53.050 0.251 0.000 0.867 278 N CB -1.417 37.146 38.487 0.127 0.000 0.993 278 N HN 0.451 nan 8.380 nan 0.000 0.433 279 I N -4.023 116.589 120.570 0.069 0.000 3.111 279 I HA 0.178 4.348 4.170 -0.000 0.000 0.272 279 I C -0.079 175.962 176.117 -0.126 0.000 1.268 279 I CA -0.035 61.210 61.300 -0.093 0.000 1.467 279 I CB -0.384 37.462 38.000 -0.257 0.000 1.087 279 I HN -0.228 nan 8.210 nan 0.000 0.467 280 F N 4.157 124.249 119.950 0.237 0.000 2.404 280 F HA 0.489 5.015 4.527 -0.000 0.000 0.345 280 F C -1.981 174.006 175.800 0.313 0.000 1.110 280 F CA -2.639 55.560 58.000 0.331 0.000 1.130 280 F CB 0.680 39.963 39.000 0.471 0.000 1.129 280 F HN -0.124 nan 8.300 nan 0.000 0.500 281 P HA 0.127 nan 4.420 nan 0.000 0.275 281 P C -0.644 176.868 177.300 0.353 0.000 1.227 281 P CA -0.181 63.103 63.100 0.307 0.000 0.781 281 P CB 1.491 33.308 31.700 0.196 0.000 0.906 282 V N 1.965 122.033 119.914 0.256 0.000 2.953 282 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 282 V C 0.267 176.462 176.094 0.168 0.000 1.073 282 V CA -0.507 61.939 62.300 0.244 0.000 1.064 282 V CB 0.250 32.173 31.823 0.167 0.000 1.047 282 V HN 0.318 nan 8.190 nan 0.000 0.478 283 I N 2.283 122.947 120.570 0.157 0.000 2.474 283 I HA 0.494 4.664 4.170 -0.000 0.000 0.294 283 I C -0.029 176.115 176.117 0.045 0.000 1.005 283 I CA -0.262 61.084 61.300 0.076 0.000 1.113 283 I CB 2.058 40.086 38.000 0.047 0.000 1.289 283 I HN 0.682 nan 8.210 nan 0.000 0.436 284 S N 6.628 122.330 115.700 0.003 0.000 2.478 284 S HA 0.631 5.101 4.470 -0.000 0.000 0.312 284 S C -0.496 174.043 174.600 -0.102 0.000 1.094 284 S CA -0.603 57.558 58.200 -0.065 0.000 1.081 284 S CB 1.209 64.396 63.200 -0.022 0.000 1.007 284 S HN 0.340 nan 8.310 nan 0.000 0.475 285 L N 3.596 124.678 121.223 -0.235 0.000 2.305 285 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 285 L C -1.361 175.240 176.870 -0.448 0.000 1.013 285 L CA -0.765 53.904 54.840 -0.285 0.000 0.819 285 L CB 0.877 42.750 42.059 -0.310 0.000 1.227 285 L HN 0.615 nan 8.230 nan 0.000 0.417 286 Y N 4.162 124.162 120.300 -0.499 0.000 2.404 286 Y HA 0.433 4.983 4.550 -0.000 0.000 0.344 286 Y C 0.092 175.660 175.900 -0.554 0.000 0.970 286 Y CA -0.340 57.435 58.100 -0.542 0.000 1.180 286 Y CB 0.976 39.161 38.460 -0.458 0.000 1.138 286 Y HN 0.358 nan 8.280 nan 0.000 0.510 287 L N 4.414 125.188 121.223 -0.748 0.000 2.343 287 L HA 0.436 4.776 4.340 -0.000 0.000 0.275 287 L C 0.360 176.991 176.870 -0.399 0.000 1.056 287 L CA -0.943 53.498 54.840 -0.664 0.000 0.804 287 L CB 1.342 42.797 42.059 -1.008 0.000 1.203 287 L HN 0.611 nan 8.230 nan 0.000 0.440 288 M N 1.733 121.263 119.600 -0.116 0.000 2.260 288 M HA 0.144 4.624 4.480 -0.000 0.000 0.348 288 M C 0.526 176.948 176.300 0.203 0.000 1.342 288 M CA 0.341 55.671 55.300 0.050 0.000 1.040 288 M CB 0.600 33.247 32.600 0.078 0.000 1.810 288 M HN 0.707 nan 8.290 nan 0.000 0.453 289 G N 3.482 112.448 108.800 0.277 0.000 2.543 289 G HA2 0.212 4.171 3.960 -0.000 0.000 0.290 289 G HA3 0.212 4.171 3.960 -0.000 0.000 0.290 289 G C 0.027 175.091 174.900 0.273 0.000 1.310 289 G CA -0.418 44.930 45.100 0.412 0.000 1.025 289 G HN 0.903 nan 8.290 nan 0.000 0.502 290 E N -1.666 118.677 120.200 0.238 0.000 2.299 290 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 290 E C 0.448 177.111 176.600 0.104 0.000 0.998 290 E CA 0.158 56.643 56.400 0.141 0.000 0.851 290 E CB 0.385 30.137 29.700 0.088 0.000 0.795 290 E HN 0.088 nan 8.360 nan 0.000 0.492 291 V N 1.356 121.344 119.914 0.123 0.000 2.713 291 V HA 0.113 4.233 4.120 -0.000 0.000 0.307 291 V C 0.385 176.538 176.094 0.098 0.000 1.052 291 V CA -0.741 61.615 62.300 0.093 0.000 0.967 291 V CB 1.858 33.734 31.823 0.088 0.000 1.019 291 V HN 0.014 nan 8.190 nan 0.000 0.459 292 T N 3.468 118.066 114.554 0.073 0.000 2.908 292 T HA 0.055 4.405 4.350 -0.000 0.000 0.301 292 T C 0.942 175.688 174.700 0.076 0.000 1.019 292 T CA 1.039 63.180 62.100 0.068 0.000 1.152 292 T CB -0.542 68.356 68.868 0.049 0.000 0.966 292 T HN 0.916 nan 8.240 nan 0.000 0.540 293 N N 0.147 118.894 118.700 0.078 0.000 2.778 293 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 293 N C -0.003 175.573 175.510 0.110 0.000 1.069 293 N CA 0.459 53.557 53.050 0.081 0.000 0.831 293 N CB -0.292 38.234 38.487 0.065 0.000 1.142 293 N HN 0.595 nan 8.380 nan 0.000 0.573 294 Q N 1.486 121.367 119.800 0.135 0.000 2.316 294 Q HA 0.528 4.868 4.340 -0.000 0.000 0.264 294 Q C -0.710 175.432 176.000 0.236 0.000 0.987 294 Q CA -0.125 55.789 55.803 0.185 0.000 0.852 294 Q CB 1.874 30.725 28.738 0.189 0.000 1.287 294 Q HN 0.267 nan 8.270 nan 0.000 0.448 295 S N 2.756 118.626 115.700 0.283 0.000 2.732 295 S HA 0.893 5.363 4.470 -0.000 0.000 0.293 295 S C -0.734 174.105 174.600 0.399 0.000 1.159 295 S CA -0.626 57.749 58.200 0.291 0.000 0.847 295 S CB 1.361 64.673 63.200 0.187 0.000 1.169 295 S HN 0.588 nan 8.310 nan 0.000 0.501 296 F N -1.510 118.472 119.950 0.053 0.000 2.715 296 F HA 0.888 5.415 4.527 -0.000 0.000 0.318 296 F C -0.865 174.698 175.800 -0.395 0.000 1.141 296 F CA -1.243 56.658 58.000 -0.164 0.000 0.950 296 F CB 1.160 39.870 39.000 -0.482 0.000 1.374 296 F HN 1.001 nan 8.300 nan 0.000 0.477 297 R N 1.603 121.808 120.500 -0.492 0.000 2.771 297 R HA 0.876 5.216 4.340 -0.000 0.000 0.274 297 R C -1.727 174.250 176.300 -0.538 0.000 0.987 297 R CA -0.970 54.587 56.100 -0.906 0.000 0.908 297 R CB 2.637 31.978 30.300 -1.600 0.000 1.213 297 R HN 1.020 nan 8.270 nan 0.000 0.468 298 I N -0.818 119.406 120.570 -0.577 0.000 2.509 298 I HA 0.596 4.766 4.170 -0.000 0.000 0.293 298 I C -0.843 175.170 176.117 -0.174 0.000 1.020 298 I CA -0.817 60.228 61.300 -0.424 0.000 1.088 298 I CB 2.634 40.106 38.000 -0.880 0.000 1.267 298 I HN 0.802 nan 8.210 nan 0.000 0.430 299 T N 4.422 119.035 114.554 0.098 0.000 2.824 299 T HA 0.693 5.043 4.350 -0.000 0.000 0.282 299 T C -0.282 174.568 174.700 0.249 0.000 0.993 299 T CA -0.661 61.513 62.100 0.123 0.000 0.967 299 T CB 1.599 70.504 68.868 0.063 0.000 0.960 299 T HN 0.730 nan 8.240 nan 0.000 0.441 300 I N 1.495 122.190 120.570 0.208 0.000 2.392 300 I HA 0.628 4.797 4.170 -0.000 0.000 0.295 300 I C -0.513 175.720 176.117 0.192 0.000 0.985 300 I CA -1.344 60.065 61.300 0.182 0.000 1.221 300 I CB 1.043 39.182 38.000 0.232 0.000 1.366 300 I HN 0.556 nan 8.210 nan 0.000 0.467 301 L N 5.974 127.238 121.223 0.068 0.000 2.469 301 L HA 0.417 4.757 4.340 -0.000 0.000 0.253 301 L C -1.162 175.602 176.870 -0.176 0.000 1.143 301 L CA -1.633 53.214 54.840 0.012 0.000 0.804 301 L CB 0.422 42.414 42.059 -0.111 0.000 1.214 301 L HN 0.474 nan 8.230 nan 0.000 0.476 302 P HA -0.169 nan 4.420 nan 0.000 0.217 302 P C 0.976 177.603 177.300 -1.121 0.000 1.150 302 P CA 1.208 63.713 63.100 -0.992 0.000 0.832 302 P CB 0.228 31.855 31.700 -0.122 0.000 0.787 303 Q N 0.249 119.461 119.800 -0.980 0.000 2.082 303 Q HA -0.240 4.100 4.340 -0.000 0.000 0.211 303 Q C 2.473 178.229 176.000 -0.408 0.000 1.002 303 Q CA 2.032 57.363 55.803 -0.786 0.000 0.868 303 Q CB -1.269 27.089 28.738 -0.633 0.000 0.931 303 Q HN 0.231 nan 8.270 nan 0.000 0.414 304 Q N -0.805 118.781 119.800 -0.355 0.000 2.077 304 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 304 Q C 1.669 177.623 176.000 -0.077 0.000 0.989 304 Q CA 1.882 57.594 55.803 -0.152 0.000 0.853 304 Q CB -0.374 28.336 28.738 -0.048 0.000 0.907 304 Q HN 0.791 nan 8.270 nan 0.000 0.418 305 Y N -2.251 118.049 120.300 -0.001 0.000 2.461 305 Y HA 0.430 4.980 4.550 -0.000 0.000 0.277 305 Y C -0.165 175.749 175.900 0.023 0.000 1.182 305 Y CA -0.356 57.730 58.100 -0.023 0.000 1.276 305 Y CB -0.042 38.411 38.460 -0.012 0.000 1.087 305 Y HN -0.145 nan 8.280 nan 0.000 0.519 306 L N 2.823 124.012 121.223 -0.056 0.000 2.384 306 L HA 0.437 4.777 4.340 -0.000 0.000 0.261 306 L C -0.235 176.797 176.870 0.270 0.000 1.024 306 L CA -0.576 54.348 54.840 0.139 0.000 0.899 306 L CB 1.100 43.199 42.059 0.068 0.000 1.243 306 L HN 0.098 nan 8.230 nan 0.000 0.449 307 R N 3.685 124.313 120.500 0.213 0.000 2.265 307 R HA 0.374 4.714 4.340 -0.000 0.000 0.314 307 R C -2.371 174.041 176.300 0.187 0.000 1.053 307 R CA -1.331 54.879 56.100 0.183 0.000 0.931 307 R CB 1.023 31.366 30.300 0.072 0.000 1.024 307 R HN 0.158 nan 8.270 nan 0.000 0.457 308 P HA -0.018 nan 4.420 nan 0.000 0.270 308 P C -1.070 176.157 177.300 -0.122 0.000 1.223 308 P CA -0.207 62.792 63.100 -0.169 0.000 0.785 308 P CB 0.832 32.448 31.700 -0.139 0.000 0.923 318 D N -0.538 119.882 120.400 0.033 0.000 2.498 318 D HA 0.601 5.240 4.640 -0.000 0.000 0.247 318 D C -0.679 175.564 176.300 -0.094 0.000 1.070 318 D CA 0.011 54.000 54.000 -0.018 0.000 0.842 318 D CB 1.805 42.719 40.800 0.191 0.000 1.361 318 D HN 0.479 nan 8.370 nan 0.000 0.484 319 c N 1.754 120.145 118.600 -0.348 0.000 2.802 319 c HA 0.715 5.285 4.570 -0.000 0.000 0.307 319 c C -1.181 172.601 174.090 -0.513 0.000 1.222 319 c CA -0.742 55.416 56.329 -0.286 0.000 1.580 319 c CB 0.535 42.930 42.510 -0.192 0.000 2.119 319 c HN 0.557 nan 8.230 nan 0.000 0.479 320 Y N 0.302 120.568 120.300 -0.057 0.000 2.513 320 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 320 Y C -0.171 175.821 175.900 0.152 0.000 1.055 320 Y CA -0.783 57.350 58.100 0.054 0.000 1.020 320 Y CB 1.340 39.857 38.460 0.095 0.000 1.301 320 Y HN 0.607 nan 8.280 nan 0.000 0.453 321 K N 2.287 122.827 120.400 0.234 0.000 2.118 321 K HA 0.499 4.818 4.320 -0.000 0.000 0.254 321 K C -1.405 175.186 176.600 -0.015 0.000 0.961 321 K CA -0.638 55.699 56.287 0.083 0.000 0.876 321 K CB 1.062 33.570 32.500 0.012 0.000 1.077 321 K HN 0.733 nan 8.250 nan 0.000 0.440 322 F N 3.629 123.210 119.950 -0.616 0.000 2.434 322 F HA 0.210 4.736 4.527 -0.001 0.000 0.358 322 F C 0.841 176.522 175.800 -0.199 0.000 1.136 322 F CA -0.343 57.313 58.000 -0.574 0.000 1.157 322 F CB 0.875 39.208 39.000 -1.112 0.000 1.167 322 F HN 0.800 nan 8.300 nan 0.000 0.539 323 A N 6.771 129.377 122.820 -0.357 0.000 1.821 323 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 323 A C 1.204 178.485 177.584 -0.505 0.000 1.214 323 A CA 0.641 52.496 52.037 -0.304 0.000 0.608 323 A CB -0.851 18.074 19.000 -0.125 0.000 0.862 323 A HN 0.740 nan 8.150 nan 0.000 0.448 324 I N 2.293 122.458 120.570 -0.675 0.000 3.581 324 I HA -0.140 4.030 4.170 -0.000 0.000 0.304 324 I C 0.613 176.484 176.117 -0.410 0.000 1.244 324 I CA 0.199 61.185 61.300 -0.524 0.000 1.418 324 I CB -1.141 36.560 38.000 -0.498 0.000 1.503 324 I HN 0.416 nan 8.210 nan 0.000 0.571 325 S N 4.755 120.250 115.700 -0.343 0.000 2.681 325 S HA 0.417 4.886 4.470 -0.000 0.000 0.299 325 S C -0.297 173.772 174.600 -0.885 0.000 1.113 325 S CA -0.935 56.972 58.200 -0.489 0.000 1.013 325 S CB 2.143 65.162 63.200 -0.301 0.000 1.076 325 S HN 0.636 nan 8.310 nan 0.000 0.534 326 Q N 0.296 119.286 119.800 -1.350 0.000 2.841 326 Q HA 0.451 4.791 4.340 -0.000 0.000 0.198 326 Q C -0.318 175.417 176.000 -0.441 0.000 1.135 326 Q CA -0.006 55.132 55.803 -1.107 0.000 1.167 326 Q CB 0.402 28.721 28.738 -0.699 0.000 1.288 326 Q HN 0.858 nan 8.270 nan 0.000 0.670 327 S N -1.377 114.178 115.700 -0.241 0.000 2.611 327 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 327 S C -1.323 173.222 174.600 -0.091 0.000 1.131 327 S CA -0.078 58.035 58.200 -0.145 0.000 0.826 327 S CB 0.993 64.116 63.200 -0.129 0.000 1.095 327 S HN 0.800 nan 8.310 nan 0.000 0.461 328 S N 0.145 115.787 115.700 -0.096 0.000 3.101 328 S HA 0.216 4.686 4.470 -0.000 0.000 0.252 328 S C 0.280 174.780 174.600 -0.168 0.000 0.920 328 S CA 0.428 58.567 58.200 -0.103 0.000 1.158 328 S CB -0.207 62.959 63.200 -0.058 0.000 1.125 328 S HN 1.173 nan 8.310 nan 0.000 0.608 329 T N -1.462 112.990 114.554 -0.169 0.000 3.288 329 T HA 0.646 4.996 4.350 -0.000 0.000 0.293 329 T C 0.912 175.478 174.700 -0.223 0.000 1.008 329 T CA 0.052 62.035 62.100 -0.195 0.000 0.929 329 T CB 0.234 69.017 68.868 -0.143 0.000 1.152 329 T HN 1.552 nan 8.240 nan 0.000 0.517 330 G N 1.196 109.861 108.800 -0.224 0.000 2.661 330 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.685 330 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.685 330 G C -0.478 174.363 174.900 -0.099 0.000 1.298 330 G CA -0.710 44.285 45.100 -0.174 0.000 0.855 330 G HN 0.463 nan 8.290 nan 0.000 0.560 331 T N 0.099 114.626 114.554 -0.044 0.000 2.901 331 T HA 0.482 4.831 4.350 -0.000 0.000 0.301 331 T C 0.398 175.077 174.700 -0.034 0.000 1.012 331 T CA 0.069 62.159 62.100 -0.016 0.000 1.135 331 T CB 1.409 70.292 68.868 0.026 0.000 0.936 331 T HN 1.084 nan 8.240 nan 0.000 0.539 332 V N 4.994 124.890 119.914 -0.029 0.000 2.444 332 V HA 0.343 4.463 4.120 -0.000 0.000 0.294 332 V C -0.052 176.051 176.094 0.016 0.000 1.022 332 V CA -0.736 61.553 62.300 -0.018 0.000 0.850 332 V CB 1.583 33.383 31.823 -0.038 0.000 0.992 332 V HN 0.899 nan 8.190 nan 0.000 0.426 333 M N 4.703 124.334 119.600 0.051 0.000 2.852 333 M HA 0.395 4.875 4.480 -0.000 0.000 0.321 333 M C 0.937 177.299 176.300 0.103 0.000 1.337 333 M CA -0.017 55.332 55.300 0.082 0.000 1.406 333 M CB 0.680 33.345 32.600 0.108 0.000 1.152 333 M HN 0.789 nan 8.290 nan 0.000 0.508 334 G N 0.765 109.611 108.800 0.076 0.000 2.489 334 G HA2 0.443 4.403 3.960 -0.000 0.000 0.271 334 G HA3 0.443 4.403 3.960 -0.000 0.000 0.271 334 G C 0.973 175.933 174.900 0.101 0.000 1.427 334 G CA 0.103 45.250 45.100 0.079 0.000 1.057 334 G HN 0.669 nan 8.290 nan 0.000 0.532 335 A N -1.400 121.482 122.820 0.104 0.000 1.903 335 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 335 A C 2.629 180.279 177.584 0.110 0.000 1.191 335 A CA 2.431 54.548 52.037 0.133 0.000 0.638 335 A CB -1.064 18.051 19.000 0.193 0.000 0.823 335 A HN 0.626 nan 8.150 nan 0.000 0.451 336 V N 0.414 120.380 119.914 0.086 0.000 2.236 336 V HA -0.366 3.754 4.120 -0.000 0.000 0.255 336 V C 2.469 178.620 176.094 0.094 0.000 1.068 336 V CA 2.385 64.729 62.300 0.074 0.000 1.044 336 V CB -0.656 31.202 31.823 0.058 0.000 0.653 336 V HN 0.566 nan 8.190 nan 0.000 0.448 337 I N -0.917 119.732 120.570 0.132 0.000 2.094 337 I HA -0.251 3.918 4.170 -0.000 0.000 0.234 337 I C 2.486 178.762 176.117 0.264 0.000 1.063 337 I CA 1.981 63.410 61.300 0.213 0.000 1.328 337 I CB -1.259 36.873 38.000 0.220 0.000 1.058 337 I HN 0.298 nan 8.210 nan 0.000 0.400 338 M N 0.185 119.928 119.600 0.238 0.000 2.255 338 M HA -0.243 4.236 4.480 -0.000 0.000 0.259 338 M C 1.873 178.246 176.300 0.122 0.000 1.071 338 M CA 1.612 57.043 55.300 0.218 0.000 1.074 338 M CB -0.540 32.140 32.600 0.133 0.000 1.384 338 M HN 0.288 nan 8.290 nan 0.000 0.415 339 E N -0.484 119.754 120.200 0.063 0.000 2.347 339 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 339 E C 2.043 178.605 176.600 -0.064 0.000 1.008 339 E CA 0.783 57.191 56.400 0.012 0.000 0.852 339 E CB -0.124 29.604 29.700 0.046 0.000 0.783 339 E HN 0.645 nan 8.360 nan 0.000 0.505 340 G N 0.187 108.863 108.800 -0.207 0.000 2.683 340 G HA2 0.037 3.997 3.960 -0.000 0.000 0.213 340 G HA3 0.037 3.997 3.960 -0.000 0.000 0.213 340 G C 0.271 174.690 174.900 -0.801 0.000 1.142 340 G CA 0.034 44.799 45.100 -0.558 0.000 0.793 340 G HN -0.020 nan 8.290 nan 0.000 0.534 341 F N -2.134 117.873 119.950 0.096 0.000 2.631 341 F HA 0.547 5.073 4.527 -0.000 0.000 0.328 341 F C -0.849 175.026 175.800 0.124 0.000 1.067 341 F CA -2.025 56.044 58.000 0.116 0.000 0.969 341 F CB 1.258 40.377 39.000 0.197 0.000 1.332 341 F HN -0.095 nan 8.300 nan 0.000 0.490 342 Y N 2.002 122.400 120.300 0.162 0.000 2.385 342 Y HA 0.645 5.195 4.550 -0.000 0.000 0.341 342 Y C -1.085 174.724 175.900 -0.152 0.000 0.965 342 Y CA -1.665 56.441 58.100 0.011 0.000 1.180 342 Y CB 0.543 39.029 38.460 0.043 0.000 1.139 342 Y HN 0.289 nan 8.280 nan 0.000 0.502 343 V N 7.369 127.052 119.914 -0.386 0.000 2.383 343 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 343 V C -0.359 175.224 176.094 -0.852 0.000 1.036 343 V CA -0.939 60.901 62.300 -0.767 0.000 0.889 343 V CB 1.126 32.541 31.823 -0.680 0.000 0.985 343 V HN 0.551 nan 8.190 nan 0.000 0.459 344 V N 5.832 125.176 119.914 -0.951 0.000 2.333 344 V HA 0.356 4.476 4.120 -0.000 0.000 0.274 344 V C -0.311 175.369 176.094 -0.691 0.000 1.028 344 V CA -0.278 61.593 62.300 -0.716 0.000 0.851 344 V CB 0.672 32.178 31.823 -0.529 0.000 1.000 344 V HN 0.693 nan 8.190 nan 0.000 0.456 345 F N 2.801 122.262 119.950 -0.815 0.000 2.499 345 F HA 0.261 4.788 4.527 -0.000 0.000 0.353 345 F C 0.939 176.395 175.800 -0.573 0.000 1.196 345 F CA -0.689 56.785 58.000 -0.875 0.000 1.244 345 F CB 0.132 38.099 39.000 -1.722 0.000 1.577 345 F HN 0.429 nan 8.300 nan 0.000 0.614 346 D N 2.967 123.247 120.400 -0.201 0.000 2.498 346 D HA 0.046 4.686 4.640 -0.000 0.000 0.229 346 D C 1.434 177.732 176.300 -0.002 0.000 1.188 346 D CA 0.173 54.108 54.000 -0.108 0.000 1.028 346 D CB 0.341 41.042 40.800 -0.165 0.000 1.087 346 D HN 0.414 nan 8.370 nan 0.000 0.510 347 R N 2.155 122.694 120.500 0.064 0.000 2.073 347 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 347 R C 1.997 178.396 176.300 0.164 0.000 1.134 347 R CA 1.270 57.496 56.100 0.210 0.000 0.952 347 R CB -0.428 30.031 30.300 0.264 0.000 0.850 347 R HN 0.387 nan 8.270 nan 0.000 0.433 348 A N 1.633 124.523 122.820 0.117 0.000 1.948 348 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 348 A C 1.658 179.260 177.584 0.030 0.000 1.177 348 A CA 1.467 53.552 52.037 0.079 0.000 0.636 348 A CB -0.263 18.773 19.000 0.060 0.000 0.815 348 A HN 0.284 nan 8.150 nan 0.000 0.449 349 R N -1.221 119.271 120.500 -0.013 0.000 2.633 349 R HA 0.236 4.576 4.340 -0.000 0.000 0.348 349 R C -0.511 175.769 176.300 -0.033 0.000 1.100 349 R CA -0.255 55.812 56.100 -0.054 0.000 1.068 349 R CB 0.153 30.367 30.300 -0.144 0.000 1.351 349 R HN 0.374 nan 8.270 nan 0.000 0.575 350 K N 2.034 122.452 120.400 0.030 0.000 3.540 350 K HA -0.263 4.057 4.320 -0.000 0.000 0.274 350 K C -0.604 176.033 176.600 0.062 0.000 0.890 350 K CA 1.076 57.402 56.287 0.066 0.000 0.701 350 K CB -1.117 31.404 32.500 0.035 0.000 1.523 350 K HN 0.520 nan 8.250 nan 0.000 0.450 351 R N -0.846 119.682 120.500 0.047 0.000 2.692 351 R HA 0.629 4.969 4.340 -0.000 0.000 0.269 351 R C -1.112 175.219 176.300 0.053 0.000 1.030 351 R CA -1.114 55.019 56.100 0.054 0.000 0.882 351 R CB 1.270 31.542 30.300 -0.047 0.000 1.250 351 R HN 0.056 nan 8.270 nan 0.000 0.465 352 I N 1.381 122.016 120.570 0.109 0.000 2.436 352 I HA 0.467 4.636 4.170 -0.000 0.000 0.289 352 I C 0.060 176.188 176.117 0.017 0.000 1.010 352 I CA -0.859 60.373 61.300 -0.114 0.000 1.098 352 I CB 2.260 40.103 38.000 -0.261 0.000 1.266 352 I HN 0.887 nan 8.210 nan 0.000 0.434 353 G N 5.152 113.778 108.800 -0.291 0.000 2.410 353 G HA2 0.750 4.710 3.960 -0.000 0.000 0.330 353 G HA3 0.750 4.710 3.960 -0.000 0.000 0.330 353 G C -1.303 173.156 174.900 -0.735 0.000 1.142 353 G CA -0.217 44.472 45.100 -0.685 0.000 0.902 353 G HN 0.327 nan 8.290 nan 0.000 0.491 354 F N -0.216 119.437 119.950 -0.496 0.000 2.588 354 F HA 0.792 5.318 4.527 -0.000 0.000 0.314 354 F C 0.318 175.969 175.800 -0.248 0.000 1.069 354 F CA -0.687 57.116 58.000 -0.328 0.000 0.931 354 F CB 2.823 41.649 39.000 -0.290 0.000 1.260 354 F HN 0.750 nan 8.300 nan 0.000 0.465 355 A N 0.882 123.772 122.820 0.116 0.000 2.577 355 A HA 0.614 4.934 4.320 -0.000 0.000 0.297 355 A C -1.553 176.274 177.584 0.405 0.000 1.060 355 A CA -0.800 51.351 52.037 0.190 0.000 0.697 355 A CB 0.780 19.771 19.000 -0.015 0.000 1.281 355 A HN 0.504 nan 8.150 nan 0.000 0.402 356 V N 1.989 122.121 119.914 0.362 0.000 2.584 356 V HA 0.137 4.257 4.120 -0.000 0.000 0.303 356 V C 1.347 177.499 176.094 0.096 0.000 1.035 356 V CA 0.931 63.337 62.300 0.176 0.000 1.172 356 V CB 0.955 32.741 31.823 -0.061 0.000 0.896 356 V HN 1.003 nan 8.190 nan 0.000 0.486 357 S N 4.183 119.882 115.700 -0.001 0.000 2.564 357 S HA 0.361 4.831 4.470 -0.000 0.000 0.278 357 S C 1.249 175.888 174.600 0.064 0.000 1.333 357 S CA -0.128 58.114 58.200 0.070 0.000 1.048 357 S CB 1.236 64.470 63.200 0.058 0.000 0.900 357 S HN 1.003 nan 8.310 nan 0.000 0.505 358 A N 2.837 125.703 122.820 0.076 0.000 2.206 358 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 358 A C 1.426 179.091 177.584 0.136 0.000 1.158 358 A CA 0.745 52.835 52.037 0.089 0.000 0.761 358 A CB -0.943 18.049 19.000 -0.015 0.000 0.801 358 A HN 1.197 nan 8.150 nan 0.000 0.473 359 c N 0.508 119.185 118.600 0.128 0.000 2.792 359 c HA 0.635 5.204 4.570 -0.000 0.000 0.306 359 c C -0.044 174.105 174.090 0.099 0.000 1.462 359 c CA -0.885 55.489 56.329 0.075 0.000 1.640 359 c CB -1.728 40.800 42.510 0.029 0.000 2.434 359 c HN 0.550 nan 8.230 nan 0.000 0.538 360 H N -0.257 118.793 119.070 -0.033 0.000 2.529 360 H HA 0.693 5.248 4.556 -0.000 0.000 0.348 360 H C -0.596 174.757 175.328 0.041 0.000 1.152 360 H CA -1.094 54.923 56.048 -0.052 0.000 1.202 360 H CB 1.475 31.162 29.762 -0.126 0.000 1.562 360 H HN 0.476 nan 8.280 nan 0.000 0.515 361 V N 1.687 121.554 119.914 -0.077 0.000 2.364 361 V HA 0.345 4.464 4.120 -0.000 0.000 0.272 361 V C 0.084 176.109 176.094 -0.115 0.000 1.036 361 V CA -0.631 61.593 62.300 -0.127 0.000 0.880 361 V CB 0.154 31.900 31.823 -0.129 0.000 0.991 361 V HN 1.024 nan 8.190 nan 0.000 0.460 362 H N 1.874 120.759 119.070 -0.308 0.000 2.754 362 H HA 0.702 5.257 4.556 -0.000 0.000 0.352 362 H C -1.100 174.086 175.328 -0.236 0.000 1.213 362 H CA -1.200 54.711 56.048 -0.228 0.000 1.244 362 H CB 1.389 31.074 29.762 -0.128 0.000 1.843 362 H HN 0.555 nan 8.280 nan 0.000 0.587 363 D N -0.097 120.221 120.400 -0.137 0.000 2.387 363 D HA 0.043 4.683 4.640 -0.000 0.000 0.251 363 D C 0.916 177.073 176.300 -0.238 0.000 1.141 363 D CA -0.384 53.497 54.000 -0.199 0.000 0.987 363 D CB 1.153 41.924 40.800 -0.048 0.000 1.116 363 D HN 0.716 nan 8.370 nan 0.000 0.491 364 E N -0.586 119.318 120.200 -0.492 0.000 2.489 364 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 364 E C 0.362 176.679 176.600 -0.472 0.000 1.057 364 E CA 0.650 56.731 56.400 -0.531 0.000 0.866 364 E CB 0.025 29.304 29.700 -0.703 0.000 0.916 364 E HN 0.342 nan 8.360 nan 0.000 0.500 365 F N -0.842 119.143 119.950 0.058 0.000 2.532 365 F HA 0.407 4.934 4.527 -0.000 0.000 0.276 365 F C 1.200 177.040 175.800 0.068 0.000 0.911 365 F CA -0.155 57.882 58.000 0.061 0.000 1.196 365 F CB -0.437 38.599 39.000 0.061 0.000 1.087 365 F HN -0.258 nan 8.300 nan 0.000 0.775 366 R N -0.208 120.448 120.500 0.260 0.000 2.531 366 R HA 0.613 4.952 4.340 -0.000 0.000 0.260 366 R C -0.472 175.907 176.300 0.133 0.000 1.144 366 R CA -0.157 56.047 56.100 0.174 0.000 1.171 366 R CB 0.927 31.324 30.300 0.163 0.000 1.199 366 R HN 0.057 nan 8.270 nan 0.000 0.594 367 T N -1.027 113.592 114.554 0.109 0.000 2.957 367 T HA 0.490 4.840 4.350 -0.000 0.000 0.336 367 T C -1.638 173.100 174.700 0.063 0.000 1.462 367 T CA -0.553 61.602 62.100 0.091 0.000 1.073 367 T CB 1.364 70.275 68.868 0.072 0.000 1.319 367 T HN 0.659 nan 8.240 nan 0.000 0.485 368 A N 2.231 125.069 122.820 0.031 0.000 2.322 368 A HA 0.958 5.278 4.320 -0.000 0.000 0.269 368 A C 0.397 178.002 177.584 0.034 0.000 1.094 368 A CA 0.160 52.205 52.037 0.014 0.000 0.807 368 A CB 0.335 19.276 19.000 -0.099 0.000 1.047 368 A HN 1.574 nan 8.150 nan 0.000 0.487 369 A N 0.265 123.164 122.820 0.132 0.000 2.567 369 A HA 0.729 5.048 4.320 -0.000 0.000 0.289 369 A C -1.404 176.274 177.584 0.157 0.000 1.177 369 A CA -0.420 51.694 52.037 0.127 0.000 0.694 369 A CB 1.189 20.223 19.000 0.056 0.000 1.292 369 A HN 1.419 nan 8.150 nan 0.000 0.425 370 V N 2.122 122.074 119.914 0.064 0.000 2.516 370 V HA 0.369 4.489 4.120 -0.000 0.000 0.271 370 V C -0.741 175.227 176.094 -0.210 0.000 0.992 370 V CA -0.347 61.922 62.300 -0.051 0.000 0.857 370 V CB 0.881 32.735 31.823 0.051 0.000 1.047 370 V HN 0.950 nan 8.190 nan 0.000 0.455 371 E N 2.997 123.019 120.200 -0.296 0.000 2.299 371 E HA 0.936 5.286 4.350 -0.000 0.000 0.265 371 E C -0.087 176.111 176.600 -0.669 0.000 0.911 371 E CA -0.962 55.187 56.400 -0.419 0.000 0.789 371 E CB 3.351 32.972 29.700 -0.132 0.000 1.246 371 E HN 0.607 nan 8.360 nan 0.000 0.427 372 G N 0.962 109.159 108.800 -1.005 0.000 2.488 372 G HA2 0.444 4.404 3.960 -0.000 0.000 0.301 372 G HA3 0.444 4.404 3.960 -0.000 0.000 0.301 372 G C -2.955 171.591 174.900 -0.590 0.000 1.339 372 G CA -0.887 43.543 45.100 -1.116 0.000 0.803 372 G HN 0.535 nan 8.290 nan 0.000 0.482 373 P HA 0.757 nan 4.420 nan 0.000 0.283 373 P C -1.589 175.450 177.300 -0.435 0.000 1.271 373 P CA -0.480 62.508 63.100 -0.187 0.000 0.841 373 P CB 1.619 33.415 31.700 0.161 0.000 1.122 374 F N -0.941 119.040 119.950 0.050 0.000 2.561 374 F HA 0.323 4.850 4.527 -0.001 0.000 0.321 374 F C 0.091 175.938 175.800 0.078 0.000 1.065 374 F CA -0.961 57.081 58.000 0.070 0.000 0.934 374 F CB 2.024 41.102 39.000 0.130 0.000 1.215 374 F HN -0.071 nan 8.300 nan 0.000 0.471 375 V N 1.978 122.038 119.914 0.242 0.000 2.364 375 V HA 0.420 4.540 4.120 -0.000 0.000 0.272 375 V C -0.469 175.702 176.094 0.129 0.000 1.036 375 V CA -0.280 62.110 62.300 0.150 0.000 0.880 375 V CB 0.852 32.734 31.823 0.099 0.000 0.991 375 V HN 0.796 nan 8.190 nan 0.000 0.460 376 T N 6.479 121.099 114.554 0.108 0.000 2.890 376 T HA 0.555 4.905 4.350 -0.000 0.000 0.295 376 T C -0.344 174.387 174.700 0.052 0.000 0.993 376 T CA -0.449 61.688 62.100 0.062 0.000 0.979 376 T CB 1.042 69.943 68.868 0.054 0.000 0.967 376 T HN 0.300 nan 8.240 nan 0.000 0.441 377 L N 2.679 123.923 121.223 0.034 0.000 2.375 377 L HA 0.360 4.700 4.340 -0.000 0.000 0.271 377 L C 0.150 177.037 176.870 0.028 0.000 1.107 377 L CA -0.619 54.240 54.840 0.032 0.000 0.806 377 L CB 0.329 42.402 42.059 0.024 0.000 1.146 377 L HN 0.722 nan 8.230 nan 0.000 0.447 378 D N 2.193 122.611 120.400 0.030 0.000 2.689 378 D HA -0.229 4.411 4.640 -0.000 0.000 0.237 378 D C 1.047 177.368 176.300 0.035 0.000 1.148 378 D CA 0.712 54.730 54.000 0.029 0.000 0.656 378 D CB -0.603 40.210 40.800 0.021 0.000 1.050 378 D HN 0.624 nan 8.370 nan 0.000 0.426 379 M N -0.461 119.165 119.600 0.043 0.000 2.213 379 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 379 M C 2.052 178.386 176.300 0.055 0.000 1.062 379 M CA 1.156 56.486 55.300 0.050 0.000 1.105 379 M CB -0.041 32.593 32.600 0.057 0.000 1.385 379 M HN -0.022 nan 8.290 nan 0.000 0.417 380 E N 0.912 121.142 120.200 0.050 0.000 2.097 380 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 380 E C 1.362 177.992 176.600 0.050 0.000 1.000 380 E CA 1.261 57.691 56.400 0.050 0.000 0.804 380 E CB -0.585 29.138 29.700 0.038 0.000 0.740 380 E HN 0.529 nan 8.360 nan 0.000 0.454 381 D N -0.143 120.282 120.400 0.042 0.000 2.389 381 D HA -0.111 4.529 4.640 -0.000 0.000 0.221 381 D C 1.585 177.921 176.300 0.059 0.000 0.974 381 D CA 0.454 54.477 54.000 0.039 0.000 0.923 381 D CB -0.389 40.427 40.800 0.026 0.000 0.892 381 D HN 0.229 nan 8.370 nan 0.000 0.518 382 c N 0.508 119.153 118.600 0.076 0.000 2.514 382 c HA 0.211 4.781 4.570 -0.000 0.000 0.271 382 c C 1.674 175.846 174.090 0.137 0.000 1.399 382 c CA -0.393 55.999 56.329 0.106 0.000 1.765 382 c CB -0.881 41.696 42.510 0.110 0.000 1.893 382 c HN 0.237 nan 8.230 nan 0.000 0.531 383 G N -0.365 108.508 108.800 0.122 0.000 2.361 383 G HA2 0.346 4.306 3.960 -0.000 0.000 0.260 383 G HA3 0.346 4.306 3.960 -0.000 0.000 0.260 383 G C -0.712 174.295 174.900 0.178 0.000 1.261 383 G CA 0.091 45.281 45.100 0.151 0.000 0.897 383 G HN 0.428 nan 8.290 nan 0.000 0.499 384 Y N 3.233 123.599 120.300 0.110 0.000 2.336 384 Y HA 0.308 4.858 4.550 -0.000 0.000 0.331 384 Y C 0.427 176.384 175.900 0.095 0.000 1.211 384 Y CA -0.287 57.886 58.100 0.122 0.000 1.346 384 Y CB 0.700 39.273 38.460 0.188 0.000 1.271 384 Y HN 0.518 nan 8.280 nan 0.000 0.538 385 N N 0.000 118.297 118.700 -0.671 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.767 53.050 -0.472 0.000 0.885 385 N CB 0.000 38.344 38.487 -0.238 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667