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 2ohu_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 VEDVATSQDD 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 0.000 175.819 175.800 0.032 0.000 0.967 -1 F CA 0.000 58.023 58.000 0.038 0.000 1.383 -1 F CB 0.000 39.023 39.000 0.039 0.000 1.145 0 V N -1.035 118.967 119.914 0.147 0.000 2.626 0 V HA -0.183 3.936 4.120 -0.000 0.000 0.252 0 V C 2.256 178.403 176.094 0.088 0.000 1.067 0 V CA 2.224 64.581 62.300 0.095 0.000 1.081 0 V CB -0.566 31.288 31.823 0.052 0.000 0.686 0 V HN 0.504 nan 8.190 nan 0.000 0.468 1 E N 1.581 121.843 120.200 0.103 0.000 2.153 1 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 1 E C 1.949 178.634 176.600 0.141 0.000 0.988 1 E CA 2.032 58.502 56.400 0.117 0.000 0.811 1 E CB -0.541 29.229 29.700 0.116 0.000 0.746 1 E HN 0.676 nan 8.360 nan 0.000 0.466 2 M N 1.137 120.833 119.600 0.160 0.000 2.556 2 M HA 0.126 4.606 4.480 -0.000 0.000 0.245 2 M C 0.559 176.909 176.300 0.084 0.000 1.128 2 M CA -0.015 55.373 55.300 0.147 0.000 1.069 2 M CB 0.597 33.306 32.600 0.182 0.000 1.469 2 M HN -0.192 nan 8.290 nan 0.000 0.494 3 V N 2.466 122.417 119.914 0.062 0.000 2.655 3 V HA -0.063 4.057 4.120 -0.000 0.000 0.300 3 V C 0.682 176.768 176.094 -0.013 0.000 1.044 3 V CA 0.841 63.154 62.300 0.022 0.000 1.095 3 V CB 0.738 32.570 31.823 0.014 0.000 0.952 3 V HN 0.551 nan 8.190 nan 0.000 0.485 4 D N 3.019 123.407 120.400 -0.019 0.000 3.090 4 D HA -0.179 4.461 4.640 -0.000 0.000 0.215 4 D C 1.041 177.300 176.300 -0.068 0.000 1.140 4 D CA 1.137 55.112 54.000 -0.041 0.000 0.937 4 D CB -0.950 39.819 40.800 -0.053 0.000 1.108 4 D HN 0.863 nan 8.370 nan 0.000 0.420 5 N N 0.497 119.171 118.700 -0.044 0.000 2.515 5 N HA -0.029 4.711 4.740 -0.000 0.000 0.191 5 N C 0.289 175.786 175.510 -0.023 0.000 1.182 5 N CA 0.367 53.396 53.050 -0.035 0.000 0.879 5 N CB -0.116 38.407 38.487 0.060 0.000 0.984 5 N HN 0.423 nan 8.380 nan 0.000 0.453 6 L N 0.301 121.497 121.223 -0.046 0.000 2.365 6 L HA 0.545 4.885 4.340 -0.000 0.000 0.273 6 L C 0.141 176.916 176.870 -0.158 0.000 1.000 6 L CA -0.791 54.006 54.840 -0.072 0.000 0.819 6 L CB 1.832 43.905 42.059 0.024 0.000 1.284 6 L HN -0.046 nan 8.230 nan 0.000 0.418 7 R N 1.304 121.522 120.500 -0.471 0.000 2.905 7 R HA 0.909 5.249 4.340 -0.000 0.000 0.260 7 R C -0.460 175.344 176.300 -0.827 0.000 1.086 7 R CA -0.875 54.865 56.100 -0.599 0.000 0.978 7 R CB 2.249 32.182 30.300 -0.611 0.000 1.215 7 R HN 0.817 nan 8.270 nan 0.000 0.480 8 G N 0.374 108.896 108.800 -0.463 0.000 2.328 8 G HA2 0.309 4.269 3.960 -0.000 0.000 0.295 8 G HA3 0.309 4.269 3.960 -0.000 0.000 0.295 8 G C -1.811 173.022 174.900 -0.112 0.000 1.413 8 G CA -0.713 44.247 45.100 -0.234 0.000 0.817 8 G HN 0.201 nan 8.290 nan 0.000 0.546 9 K N 0.106 120.481 120.400 -0.041 0.000 2.328 9 K HA 0.733 5.053 4.320 -0.000 0.000 0.246 9 K C -0.006 176.549 176.600 -0.074 0.000 0.955 9 K CA -0.897 55.365 56.287 -0.041 0.000 0.817 9 K CB 1.742 34.248 32.500 0.010 0.000 1.208 9 K HN 0.552 nan 8.250 nan 0.000 0.432 10 S N 0.090 115.754 115.700 -0.060 0.000 2.552 10 S HA 0.278 4.748 4.470 -0.000 0.000 0.289 10 S C 1.247 175.840 174.600 -0.013 0.000 1.304 10 S CA 1.574 59.748 58.200 -0.043 0.000 1.063 10 S CB -0.431 62.762 63.200 -0.011 0.000 0.848 10 S HN 0.846 nan 8.310 nan 0.000 0.499 11 G N 3.735 112.536 108.800 0.002 0.000 2.189 11 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 11 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 11 G C 0.455 175.381 174.900 0.045 0.000 0.975 11 G CA 0.827 45.944 45.100 0.028 0.000 0.644 11 G HN 0.738 nan 8.290 nan 0.000 0.537 12 Q N -0.104 119.724 119.800 0.047 0.000 2.179 12 Q HA 0.450 4.790 4.340 -0.000 0.000 0.213 12 Q C 1.278 177.407 176.000 0.214 0.000 0.833 12 Q CA 0.228 56.122 55.803 0.151 0.000 0.990 12 Q CB 1.075 29.902 28.738 0.149 0.000 1.132 12 Q HN 1.570 nan 8.270 nan 0.000 0.493 13 G N 0.967 109.795 108.800 0.046 0.000 2.855 13 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.352 13 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.352 13 G C -1.158 173.668 174.900 -0.124 0.000 1.415 13 G CA -0.773 44.330 45.100 0.004 0.000 0.871 13 G HN 0.230 nan 8.290 nan 0.000 0.543 14 Y N 0.183 120.452 120.300 -0.051 0.000 2.352 14 Y HA 0.645 5.195 4.550 -0.000 0.000 0.339 14 Y C 0.571 176.416 175.900 -0.092 0.000 0.992 14 Y CA -0.331 57.712 58.100 -0.095 0.000 1.100 14 Y CB 1.826 40.226 38.460 -0.100 0.000 1.192 14 Y HN 0.789 nan 8.280 nan 0.000 0.458 15 Y N 0.456 120.783 120.300 0.045 0.000 2.524 15 Y HA 0.848 5.397 4.550 -0.000 0.000 0.344 15 Y C -1.575 174.342 175.900 0.027 0.000 1.012 15 Y CA -1.763 56.331 58.100 -0.011 0.000 1.068 15 Y CB 1.001 39.485 38.460 0.041 0.000 1.249 15 Y HN 0.402 nan 8.280 nan 0.000 0.468 16 V N 2.019 122.048 119.914 0.191 0.000 2.769 16 V HA 0.351 4.471 4.120 -0.000 0.000 0.312 16 V C -0.610 175.592 176.094 0.179 0.000 1.061 16 V CA -0.911 61.465 62.300 0.128 0.000 0.931 16 V CB 1.766 33.603 31.823 0.024 0.000 1.010 16 V HN 0.985 nan 8.190 nan 0.000 0.433 17 E N 5.113 125.420 120.200 0.178 0.000 2.360 17 E HA 0.393 4.742 4.350 -0.000 0.000 0.269 17 E C -0.861 175.771 176.600 0.053 0.000 1.022 17 E CA -0.105 56.378 56.400 0.138 0.000 0.887 17 E CB 0.770 30.568 29.700 0.163 0.000 0.990 17 E HN 0.628 nan 8.360 nan 0.000 0.426 18 M N 1.908 121.523 119.600 0.026 0.000 2.631 18 M HA 0.311 4.791 4.480 -0.000 0.000 0.288 18 M C -0.662 175.637 176.300 -0.001 0.000 1.260 18 M CA -0.931 54.356 55.300 -0.022 0.000 0.842 18 M CB 2.466 35.032 32.600 -0.058 0.000 1.743 18 M HN 0.541 nan 8.290 nan 0.000 0.461 19 T N -0.513 114.035 114.554 -0.009 0.000 2.876 19 T HA 0.835 5.184 4.350 -0.000 0.000 0.289 19 T C -0.871 173.841 174.700 0.021 0.000 1.014 19 T CA -0.702 61.402 62.100 0.008 0.000 0.986 19 T CB 1.522 70.392 68.868 0.004 0.000 1.021 19 T HN 0.427 nan 8.240 nan 0.000 0.458 20 V N 1.566 121.492 119.914 0.020 0.000 2.962 20 V HA 0.923 5.043 4.120 -0.000 0.000 0.313 20 V C 0.946 177.095 176.094 0.093 0.000 1.099 20 V CA 0.150 62.457 62.300 0.011 0.000 0.971 20 V CB 1.077 32.775 31.823 -0.208 0.000 1.028 20 V HN 1.671 nan 8.190 nan 0.000 0.430 21 G N 3.168 112.060 108.800 0.153 0.000 2.828 21 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.463 21 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.463 21 G C -0.409 174.569 174.900 0.130 0.000 1.394 21 G CA -0.229 44.998 45.100 0.211 0.000 0.862 21 G HN 1.201 nan 8.290 nan 0.000 0.540 22 S N 2.263 118.034 115.700 0.118 0.000 2.707 22 S HA 0.708 5.178 4.470 -0.000 0.000 0.303 22 S C -2.173 172.465 174.600 0.064 0.000 1.132 22 S CA -0.649 57.597 58.200 0.077 0.000 1.046 22 S CB 2.669 65.909 63.200 0.067 0.000 1.004 22 S HN 0.823 nan 8.310 nan 0.000 0.483 23 P HA 0.370 nan 4.420 nan 0.000 0.274 23 P C -2.945 174.383 177.300 0.047 0.000 1.256 23 P CA -1.761 61.362 63.100 0.039 0.000 0.795 23 P CB -0.787 30.928 31.700 0.024 0.000 1.038 24 P HA 0.203 nan 4.420 nan 0.000 0.276 24 P C -0.709 176.613 177.300 0.036 0.000 1.235 24 P CA 0.199 63.323 63.100 0.040 0.000 0.772 24 P CB 0.327 32.040 31.700 0.021 0.000 0.871 25 Q N 1.183 121.014 119.800 0.051 0.000 2.347 25 Q HA 0.307 4.647 4.340 -0.000 0.000 0.262 25 Q C -0.273 175.741 176.000 0.022 0.000 0.980 25 Q CA -0.437 55.389 55.803 0.038 0.000 0.867 25 Q CB 0.911 29.697 28.738 0.081 0.000 1.242 25 Q HN 0.355 nan 8.270 nan 0.000 0.453 26 T N 3.937 118.495 114.554 0.008 0.000 2.814 26 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 26 T C -0.163 174.541 174.700 0.006 0.000 0.956 26 T CA 0.007 62.111 62.100 0.007 0.000 1.123 26 T CB 0.145 69.016 68.868 0.005 0.000 0.902 26 T HN 0.326 nan 8.240 nan 0.000 0.528 27 L N 3.486 124.720 121.223 0.019 0.000 2.388 27 L HA 0.495 4.835 4.340 -0.000 0.000 0.264 27 L C -0.176 176.720 176.870 0.043 0.000 0.998 27 L CA -1.237 53.618 54.840 0.024 0.000 0.817 27 L CB 1.939 44.018 42.059 0.033 0.000 1.338 27 L HN 0.424 nan 8.230 nan 0.000 0.414 28 N N 2.939 121.650 118.700 0.019 0.000 2.419 28 N HA 0.464 5.204 4.740 -0.000 0.000 0.264 28 N C -1.010 174.563 175.510 0.106 0.000 1.031 28 N CA -0.290 52.777 53.050 0.028 0.000 0.951 28 N CB 1.589 39.916 38.487 -0.265 0.000 1.101 28 N HN 0.299 nan 8.380 nan 0.000 0.488 29 I N 2.857 123.516 120.570 0.149 0.000 2.418 29 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 29 I C 0.198 176.311 176.117 -0.007 0.000 1.008 29 I CA -0.979 60.381 61.300 0.101 0.000 1.104 29 I CB 1.306 39.369 38.000 0.105 0.000 1.264 29 I HN 0.292 nan 8.210 nan 0.000 0.438 30 L N 7.727 128.790 121.223 -0.266 0.000 2.540 30 L HA 0.068 4.408 4.340 -0.000 0.000 0.276 30 L C -0.168 176.541 176.870 -0.268 0.000 1.212 30 L CA 0.517 55.052 54.840 -0.508 0.000 0.893 30 L CB 0.546 41.905 42.059 -1.167 0.000 1.138 30 L HN 0.343 nan 8.230 nan 0.000 0.491 31 V N 5.225 125.030 119.914 -0.182 0.000 2.389 31 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 31 V C -0.320 175.675 176.094 -0.164 0.000 1.049 31 V CA -0.271 61.928 62.300 -0.169 0.000 0.932 31 V CB 0.958 32.696 31.823 -0.141 0.000 1.011 31 V HN 0.776 nan 8.190 nan 0.000 0.475 32 D N 3.163 123.462 120.400 -0.168 0.000 2.473 32 D HA 0.246 4.886 4.640 -0.000 0.000 0.253 32 D C 0.989 177.237 176.300 -0.087 0.000 1.233 32 D CA -0.206 53.728 54.000 -0.110 0.000 0.908 32 D CB 1.960 42.707 40.800 -0.088 0.000 1.170 32 D HN 0.571 nan 8.370 nan 0.000 0.558 33 T N -0.120 114.397 114.554 -0.061 0.000 3.148 33 T HA 0.167 4.517 4.350 -0.000 0.000 0.253 33 T C 1.445 176.267 174.700 0.204 0.000 1.134 33 T CA 0.335 62.461 62.100 0.045 0.000 1.051 33 T CB 0.209 69.016 68.868 -0.102 0.000 0.959 33 T HN 0.295 nan 8.240 nan 0.000 0.525 34 G N 0.882 109.761 108.800 0.133 0.000 3.337 34 G HA2 0.449 4.409 3.960 -0.000 0.000 0.246 34 G HA3 0.449 4.409 3.960 -0.000 0.000 0.246 34 G C 0.259 175.239 174.900 0.134 0.000 1.131 34 G CA 0.109 45.327 45.100 0.196 0.000 0.773 34 G HN 0.778 nan 8.290 nan 0.000 0.544 35 S N -1.890 113.833 115.700 0.039 0.000 2.656 35 S HA 0.644 5.114 4.470 -0.000 0.000 0.273 35 S C -0.101 174.487 174.600 -0.020 0.000 1.168 35 S CA -0.228 57.971 58.200 -0.003 0.000 0.817 35 S CB 1.781 65.020 63.200 0.065 0.000 1.146 35 S HN -0.014 nan 8.310 nan 0.000 0.475 36 S N 0.148 115.849 115.700 0.002 0.000 2.900 36 S HA 0.373 4.843 4.470 -0.000 0.000 0.253 36 S C -0.527 174.136 174.600 0.104 0.000 1.029 36 S CA -0.499 57.714 58.200 0.022 0.000 1.096 36 S CB -0.423 62.770 63.200 -0.011 0.000 1.067 36 S HN 0.687 nan 8.310 nan 0.000 0.610 37 N N 1.322 120.111 118.700 0.150 0.000 2.430 37 N HA 0.471 5.210 4.740 -0.000 0.000 0.292 37 N C -1.374 174.279 175.510 0.239 0.000 1.051 37 N CA -0.455 52.725 53.050 0.216 0.000 0.917 37 N CB 0.759 39.427 38.487 0.302 0.000 1.164 37 N HN 0.127 nan 8.380 nan 0.000 0.484 38 F N 2.786 122.772 119.950 0.060 0.000 2.390 38 F HA 0.642 5.169 4.527 -0.000 0.000 0.361 38 F C -0.545 175.236 175.800 -0.031 0.000 1.124 38 F CA -1.428 56.563 58.000 -0.015 0.000 1.149 38 F CB -0.241 38.752 39.000 -0.012 0.000 1.160 38 F HN 0.442 nan 8.300 nan 0.000 0.501 39 A N 6.433 129.030 122.820 -0.372 0.000 2.381 39 A HA 0.718 5.037 4.320 -0.000 0.000 0.299 39 A C -1.522 175.767 177.584 -0.491 0.000 1.049 39 A CA -0.423 51.292 52.037 -0.536 0.000 0.715 39 A CB 1.197 19.675 19.000 -0.869 0.000 1.222 39 A HN 1.052 nan 8.150 nan 0.000 0.428 40 V N 0.379 120.049 119.914 -0.407 0.000 2.735 40 V HA 0.921 5.040 4.120 -0.000 0.000 0.310 40 V C 0.477 176.594 176.094 0.039 0.000 1.061 40 V CA -0.216 61.981 62.300 -0.172 0.000 0.913 40 V CB 1.230 32.876 31.823 -0.296 0.000 1.005 40 V HN 1.606 nan 8.190 nan 0.000 0.428 41 G N 2.352 111.279 108.800 0.212 0.000 2.265 41 G HA2 0.471 4.431 3.960 -0.000 0.000 0.240 41 G HA3 0.471 4.431 3.960 -0.000 0.000 0.240 41 G C 0.563 175.578 174.900 0.191 0.000 1.270 41 G CA 0.205 45.423 45.100 0.196 0.000 0.901 41 G HN 1.966 nan 8.290 nan 0.000 0.507 42 A N 1.489 124.400 122.820 0.151 0.000 2.609 42 A HA 0.784 5.104 4.320 -0.000 0.000 0.286 42 A C 0.707 178.304 177.584 0.023 0.000 1.138 42 A CA 0.749 52.889 52.037 0.172 0.000 0.960 42 A CB 0.149 19.220 19.000 0.118 0.000 1.208 42 A HN 1.907 nan 8.150 nan 0.000 0.541 43 A N 0.302 122.973 122.820 -0.248 0.000 2.594 43 A HA 0.733 5.052 4.320 -0.000 0.000 0.295 43 A C -3.144 173.862 177.584 -0.964 0.000 1.071 43 A CA -1.366 50.330 52.037 -0.569 0.000 0.685 43 A CB 0.882 19.745 19.000 -0.229 0.000 1.285 43 A HN -0.029 nan 8.150 nan 0.000 0.405 44 P HA 0.073 nan 4.420 nan 0.000 0.235 44 P C -0.296 176.817 177.300 -0.312 0.000 1.765 44 P CA 0.439 63.122 63.100 -0.695 0.000 1.034 44 P CB -1.029 30.438 31.700 -0.389 0.000 1.984 45 H N 3.726 122.586 119.070 -0.350 0.000 2.848 45 H HA 0.078 4.634 4.556 -0.000 0.000 0.341 45 H C -0.828 174.354 175.328 -0.243 0.000 1.060 45 H CA -1.055 54.830 56.048 -0.271 0.000 1.444 45 H CB 0.905 30.526 29.762 -0.235 0.000 1.446 45 H HN 0.104 nan 8.280 nan 0.000 0.583 46 P HA -0.170 nan 4.420 nan 0.000 0.222 46 P C 0.732 178.103 177.300 0.117 0.000 1.147 46 P CA 0.948 63.952 63.100 -0.160 0.000 0.790 46 P CB 0.174 31.727 31.700 -0.245 0.000 0.780 47 F N -0.251 119.789 119.950 0.149 0.000 2.558 47 F HA 0.116 4.643 4.527 -0.000 0.000 0.298 47 F C 1.566 177.245 175.800 -0.202 0.000 1.119 47 F CA -0.391 57.609 58.000 0.001 0.000 1.451 47 F CB -1.094 37.940 39.000 0.057 0.000 1.091 47 F HN -0.163 nan 8.300 nan 0.000 0.563 48 L N 0.209 121.419 121.223 -0.022 0.000 2.292 48 L HA 0.173 4.513 4.340 -0.000 0.000 0.284 48 L C 1.712 178.516 176.870 -0.109 0.000 1.065 48 L CA -0.412 54.330 54.840 -0.163 0.000 0.806 48 L CB 0.989 42.919 42.059 -0.215 0.000 1.175 48 L HN 0.103 nan 8.230 nan 0.000 0.431 49 H N 3.502 122.524 119.070 -0.082 0.000 2.428 49 H HA 0.026 4.582 4.556 -0.000 0.000 0.296 49 H C 0.376 175.687 175.328 -0.028 0.000 1.062 49 H CA 0.809 56.827 56.048 -0.051 0.000 1.350 49 H CB 0.371 30.084 29.762 -0.083 0.000 1.403 49 H HN 0.554 nan 8.280 nan 0.000 0.533 50 R N -0.755 119.807 120.500 0.102 0.000 2.712 50 R HA 0.303 4.643 4.340 -0.000 0.000 0.272 50 R C -1.939 174.400 176.300 0.065 0.000 1.032 50 R CA -0.880 55.220 56.100 -0.000 0.000 0.874 50 R CB 1.512 31.780 30.300 -0.053 0.000 1.256 50 R HN 0.048 nan 8.270 nan 0.000 0.468 51 Y N -1.974 118.319 120.300 -0.011 0.000 2.638 51 Y HA 0.513 5.063 4.550 -0.000 0.000 0.335 51 Y C -1.555 174.396 175.900 0.084 0.000 1.155 51 Y CA -1.643 56.461 58.100 0.006 0.000 1.046 51 Y CB 0.580 39.022 38.460 -0.030 0.000 1.303 51 Y HN 0.556 nan 8.280 nan 0.000 0.460 52 Y N 2.856 123.209 120.300 0.088 0.000 2.436 52 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 52 Y C -0.433 175.489 175.900 0.037 0.000 1.049 52 Y CA -0.852 57.255 58.100 0.012 0.000 1.294 52 Y CB 0.834 39.295 38.460 0.002 0.000 1.179 52 Y HN 0.693 nan 8.280 nan 0.000 0.520 53 Q N 7.424 127.161 119.800 -0.105 0.000 2.560 53 Q HA 0.250 4.589 4.340 -0.000 0.000 0.238 53 Q C 0.936 176.666 176.000 -0.450 0.000 1.079 53 Q CA -0.405 55.260 55.803 -0.229 0.000 0.866 53 Q CB 0.889 29.545 28.738 -0.136 0.000 1.153 53 Q HN 0.817 nan 8.270 nan 0.000 0.530 54 R N 1.069 121.092 120.500 -0.795 0.000 2.127 54 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 54 R C 2.200 178.215 176.300 -0.475 0.000 1.134 54 R CA 1.512 57.053 56.100 -0.932 0.000 0.975 54 R CB 0.082 29.591 30.300 -1.318 0.000 0.865 54 R HN 0.596 nan 8.270 nan 0.000 0.447 55 Q N 1.022 120.632 119.800 -0.317 0.000 2.291 55 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 55 Q C 1.503 177.447 176.000 -0.094 0.000 0.976 55 Q CA 1.475 57.180 55.803 -0.163 0.000 0.875 55 Q CB -0.150 28.519 28.738 -0.115 0.000 0.927 55 Q HN 0.440 nan 8.270 nan 0.000 0.450 56 L N 0.930 122.095 121.223 -0.097 0.000 2.592 56 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 56 L C 0.809 177.680 176.870 0.001 0.000 1.127 56 L CA -0.174 54.643 54.840 -0.040 0.000 0.884 56 L CB 0.387 42.423 42.059 -0.038 0.000 1.065 56 L HN -0.001 nan 8.230 nan 0.000 0.457 57 S N -0.703 115.003 115.700 0.011 0.000 2.474 57 S HA 0.207 4.677 4.470 -0.000 0.000 0.321 57 S C 1.169 175.837 174.600 0.114 0.000 1.080 57 S CA -0.573 57.680 58.200 0.089 0.000 1.106 57 S CB 1.279 64.580 63.200 0.169 0.000 0.984 57 S HN 0.296 nan 8.310 nan 0.000 0.464 58 S N 2.914 118.670 115.700 0.093 0.000 2.447 58 S HA -0.094 4.375 4.470 -0.000 0.000 0.233 58 S C 1.447 176.108 174.600 0.102 0.000 1.006 58 S CA 1.203 59.455 58.200 0.085 0.000 0.957 58 S CB -0.687 62.548 63.200 0.058 0.000 0.773 58 S HN 0.838 nan 8.310 nan 0.000 0.507 59 T N -2.117 112.512 114.554 0.125 0.000 3.086 59 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 59 T C 0.195 174.982 174.700 0.145 0.000 1.074 59 T CA -0.627 61.540 62.100 0.112 0.000 0.988 59 T CB -0.682 68.243 68.868 0.094 0.000 0.988 59 T HN 0.413 nan 8.240 nan 0.000 0.530 60 Y N 3.187 123.538 120.300 0.084 0.000 2.497 60 Y HA 0.390 4.940 4.550 -0.000 0.000 0.334 60 Y C 0.134 176.077 175.900 0.071 0.000 1.199 60 Y CA -0.852 57.308 58.100 0.100 0.000 1.425 60 Y CB 0.447 38.948 38.460 0.068 0.000 1.291 60 Y HN 0.066 nan 8.280 nan 0.000 0.562 61 R N 4.753 124.728 120.500 -0.874 0.000 2.514 61 R HA 0.158 4.498 4.340 -0.000 0.000 0.296 61 R C -1.578 174.185 176.300 -0.894 0.000 1.012 61 R CA -1.050 54.637 56.100 -0.689 0.000 0.897 61 R CB 1.292 31.428 30.300 -0.274 0.000 1.184 61 R HN 0.650 nan 8.270 nan 0.000 0.440 62 D N 2.746 122.770 120.400 -0.627 0.000 2.389 62 D HA 0.058 4.698 4.640 -0.000 0.000 0.247 62 D C 0.571 176.813 176.300 -0.096 0.000 1.128 62 D CA 0.049 53.920 54.000 -0.215 0.000 0.884 62 D CB 1.252 42.088 40.800 0.060 0.000 1.194 62 D HN 0.496 nan 8.370 nan 0.000 0.441 63 L N 3.042 124.254 121.223 -0.018 0.000 2.640 63 L HA 0.201 4.541 4.340 -0.000 0.000 0.230 63 L C 0.771 177.660 176.870 0.032 0.000 1.123 63 L CA -0.132 54.712 54.840 0.007 0.000 0.900 63 L CB 0.012 42.088 42.059 0.028 0.000 1.146 63 L HN 0.462 nan 8.230 nan 0.000 0.484 64 R N 0.730 121.260 120.500 0.050 0.000 3.333 64 R HA -0.211 4.129 4.340 -0.000 0.000 0.256 64 R C -0.129 176.201 176.300 0.050 0.000 1.010 64 R CA 0.696 56.828 56.100 0.052 0.000 0.680 64 R CB -1.518 28.805 30.300 0.037 0.000 1.102 64 R HN 0.223 nan 8.270 nan 0.000 0.440 65 K N -0.353 120.084 120.400 0.063 0.000 2.523 65 K HA 0.562 4.882 4.320 -0.000 0.000 0.257 65 K C -0.126 176.520 176.600 0.078 0.000 0.932 65 K CA -0.246 56.077 56.287 0.060 0.000 0.812 65 K CB 1.847 34.379 32.500 0.054 0.000 1.326 65 K HN 0.139 nan 8.250 nan 0.000 0.433 66 G N 0.946 109.789 108.800 0.072 0.000 2.488 66 G HA2 0.599 4.558 3.960 -0.000 0.000 0.318 66 G HA3 0.599 4.558 3.960 -0.000 0.000 0.318 66 G C -0.975 173.973 174.900 0.081 0.000 1.188 66 G CA -0.669 44.483 45.100 0.086 0.000 0.944 66 G HN 0.408 nan 8.290 nan 0.000 0.495 67 V N -1.269 118.697 119.914 0.086 0.000 2.638 67 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 67 V C -1.483 174.596 176.094 -0.025 0.000 1.052 67 V CA -1.163 61.151 62.300 0.025 0.000 0.885 67 V CB 1.400 33.229 31.823 0.009 0.000 0.999 67 V HN 0.703 nan 8.190 nan 0.000 0.424 68 Y N 3.480 123.665 120.300 -0.193 0.000 2.326 68 Y HA 0.731 5.281 4.550 -0.000 0.000 0.331 68 Y C -0.575 175.108 175.900 -0.362 0.000 0.962 68 Y CA -0.777 57.179 58.100 -0.241 0.000 1.167 68 Y CB 1.996 40.370 38.460 -0.143 0.000 1.148 68 Y HN 0.520 nan 8.280 nan 0.000 0.463 69 V N 9.193 128.559 119.914 -0.913 0.000 2.250 69 V HA 0.334 4.454 4.120 -0.000 0.000 0.268 69 V C -2.350 173.344 176.094 -0.667 0.000 1.043 69 V CA -1.661 60.136 62.300 -0.839 0.000 0.814 69 V CB 0.428 31.371 31.823 -1.468 0.000 1.072 69 V HN 0.629 nan 8.190 nan 0.000 0.451 70 P HA 0.448 nan 4.420 nan 0.000 0.282 70 P C -1.333 175.922 177.300 -0.074 0.000 1.249 70 P CA -0.074 62.851 63.100 -0.292 0.000 0.806 70 P CB 1.181 32.862 31.700 -0.031 0.000 0.984 71 Y N -2.622 117.633 120.300 -0.074 0.000 2.715 71 Y HA 0.505 5.055 4.550 -0.000 0.000 0.331 71 Y C 1.726 177.634 175.900 0.012 0.000 1.197 71 Y CA -0.839 57.254 58.100 -0.012 0.000 1.079 71 Y CB -0.469 38.002 38.460 0.018 0.000 1.298 71 Y HN 0.313 nan 8.280 nan 0.000 0.477 72 T N -2.322 112.353 114.554 0.202 0.000 2.652 72 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 72 T C 1.122 175.862 174.700 0.068 0.000 1.039 72 T CA 1.989 64.150 62.100 0.102 0.000 1.153 72 T CB -0.357 68.573 68.868 0.102 0.000 0.863 72 T HN 0.742 nan 8.240 nan 0.000 0.428 73 Q N 1.030 120.925 119.800 0.160 0.000 2.392 73 Q HA 0.395 4.735 4.340 -0.000 0.000 0.203 73 Q C 1.040 177.040 176.000 -0.000 0.000 0.917 73 Q CA 0.288 56.159 55.803 0.115 0.000 0.939 73 Q CB 0.580 29.430 28.738 0.186 0.000 1.063 73 Q HN 0.724 nan 8.270 nan 0.000 0.516 74 G N 0.494 109.076 108.800 -0.364 0.000 2.510 74 G HA2 0.371 4.330 3.960 -0.000 0.000 0.277 74 G HA3 0.371 4.330 3.960 -0.000 0.000 0.277 74 G C -1.731 172.393 174.900 -1.294 0.000 1.223 74 G CA -0.477 44.242 45.100 -0.635 0.000 0.887 74 G HN -0.018 nan 8.290 nan 0.000 0.485 75 K N -0.863 118.946 120.400 -0.986 0.000 2.660 75 K HA 0.327 4.647 4.320 -0.000 0.000 0.285 75 K C -2.089 174.376 176.600 -0.225 0.000 0.997 75 K CA -0.670 55.175 56.287 -0.737 0.000 0.861 75 K CB 0.945 33.044 32.500 -0.668 0.000 1.469 75 K HN 1.301 nan 8.250 nan 0.000 0.395 76 W N 1.527 122.594 121.300 -0.388 0.000 2.950 76 W HA 0.718 5.378 4.660 -0.000 0.000 0.340 76 W C -1.090 175.181 176.519 -0.414 0.000 1.139 76 W CA -0.782 56.305 57.345 -0.430 0.000 1.188 76 W CB 1.009 30.044 29.460 -0.708 0.000 1.426 76 W HN 0.759 nan 8.180 nan 0.000 0.531 77 E N 1.442 121.673 120.200 0.051 0.000 2.416 77 E HA 0.861 5.211 4.350 -0.000 0.000 0.273 77 E C -0.691 176.076 176.600 0.278 0.000 0.935 77 E CA -1.024 55.396 56.400 0.033 0.000 0.784 77 E CB 2.549 32.233 29.700 -0.027 0.000 1.301 77 E HN 0.766 nan 8.360 nan 0.000 0.454 78 G N 0.423 109.372 108.800 0.247 0.000 2.548 78 G HA2 0.397 4.357 3.960 -0.000 0.000 0.301 78 G HA3 0.397 4.357 3.960 -0.000 0.000 0.301 78 G C -1.681 173.332 174.900 0.187 0.000 1.349 78 G CA -0.851 44.395 45.100 0.243 0.000 0.792 78 G HN 0.473 nan 8.290 nan 0.000 0.481 79 E N 0.048 120.351 120.200 0.172 0.000 2.176 79 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 79 E C -0.418 176.291 176.600 0.182 0.000 0.893 79 E CA -0.544 55.949 56.400 0.155 0.000 0.761 79 E CB 2.535 32.316 29.700 0.136 0.000 1.133 79 E HN 0.293 nan 8.360 nan 0.000 0.409 80 L N 2.297 123.616 121.223 0.160 0.000 2.397 80 L HA 0.597 4.937 4.340 -0.000 0.000 0.271 80 L C 0.718 177.684 176.870 0.160 0.000 1.148 80 L CA 0.008 54.942 54.840 0.157 0.000 0.825 80 L CB 0.848 42.980 42.059 0.122 0.000 1.117 80 L HN 0.702 nan 8.230 nan 0.000 0.456 81 G N 0.552 109.450 108.800 0.164 0.000 2.619 81 G HA2 0.641 4.601 3.960 -0.000 0.000 0.305 81 G HA3 0.641 4.601 3.960 -0.000 0.000 0.305 81 G C -1.239 173.713 174.900 0.086 0.000 1.330 81 G CA -0.049 45.106 45.100 0.093 0.000 0.789 81 G HN 0.580 nan 8.290 nan 0.000 0.487 82 T N -2.256 112.300 114.554 0.004 0.000 2.896 82 T HA 0.766 5.116 4.350 -0.000 0.000 0.297 82 T C -1.580 173.176 174.700 0.093 0.000 1.108 82 T CA -0.587 61.553 62.100 0.066 0.000 1.004 82 T CB 2.959 71.843 68.868 0.025 0.000 1.159 82 T HN 0.739 nan 8.240 nan 0.000 0.499 83 D N -0.331 120.158 120.400 0.149 0.000 2.764 83 D HA 0.281 4.921 4.640 -0.000 0.000 0.293 83 D C -1.187 175.200 176.300 0.144 0.000 1.287 83 D CA -0.632 53.477 54.000 0.181 0.000 0.768 83 D CB 1.517 42.512 40.800 0.325 0.000 1.288 83 D HN 0.701 nan 8.370 nan 0.000 0.426 84 L N 1.185 122.485 121.223 0.129 0.000 2.331 84 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 84 L C -0.159 176.774 176.870 0.104 0.000 1.106 84 L CA -0.625 54.273 54.840 0.097 0.000 0.824 84 L CB 1.222 43.325 42.059 0.073 0.000 1.142 84 L HN 0.097 nan 8.230 nan 0.000 0.443 85 V N 2.365 122.344 119.914 0.108 0.000 2.604 85 V HA 0.593 4.712 4.120 -0.000 0.000 0.305 85 V C -0.160 175.987 176.094 0.089 0.000 1.043 85 V CA -0.422 61.946 62.300 0.113 0.000 0.888 85 V CB 1.985 33.917 31.823 0.181 0.000 0.995 85 V HN 0.847 nan 8.190 nan 0.000 0.429 86 S N 4.234 119.958 115.700 0.041 0.000 2.588 86 S HA 0.766 5.236 4.470 -0.000 0.000 0.275 86 S C -1.317 173.275 174.600 -0.012 0.000 1.130 86 S CA -0.621 57.594 58.200 0.025 0.000 0.855 86 S CB 1.732 64.939 63.200 0.011 0.000 1.116 86 S HN 0.554 nan 8.310 nan 0.000 0.472 87 I N 3.880 124.446 120.570 -0.008 0.000 2.464 87 I HA 0.322 4.491 4.170 -0.000 0.000 0.277 87 I C -1.923 174.165 176.117 -0.050 0.000 1.040 87 I CA -2.274 59.010 61.300 -0.026 0.000 1.153 87 I CB 1.845 39.848 38.000 0.004 0.000 1.274 87 I HN 0.481 nan 8.210 nan 0.000 0.469 88 P HA -0.219 nan 4.420 nan 0.000 0.218 88 P C 0.546 177.641 177.300 -0.341 0.000 1.165 88 P CA 1.693 64.627 63.100 -0.277 0.000 0.922 88 P CB 0.014 31.470 31.700 -0.406 0.000 0.794 89 H N -1.020 118.070 119.070 0.034 0.000 2.595 89 H HA 0.519 5.075 4.556 -0.000 0.000 0.264 89 H C 1.037 176.398 175.328 0.056 0.000 1.503 89 H CA 0.171 56.245 56.048 0.042 0.000 1.142 89 H CB -0.463 29.322 29.762 0.038 0.000 1.554 89 H HN 0.154 nan 8.280 nan 0.000 0.501 90 G N 0.910 109.777 108.800 0.111 0.000 3.058 90 G HA2 0.351 4.311 3.960 -0.000 0.000 0.282 90 G HA3 0.351 4.311 3.960 -0.000 0.000 0.282 90 G C -2.781 172.182 174.900 0.105 0.000 1.248 90 G CA -1.251 43.919 45.100 0.117 0.000 0.822 90 G HN -0.032 nan 8.290 nan 0.000 0.579 91 P HA 0.194 nan 4.420 nan 0.000 0.274 91 P C -0.628 176.697 177.300 0.042 0.000 1.231 91 P CA -0.466 62.685 63.100 0.084 0.000 0.790 91 P CB 0.751 32.499 31.700 0.080 0.000 0.951 92 N N 1.389 120.106 118.700 0.029 0.000 3.178 92 N HA 0.214 4.954 4.740 -0.000 0.000 0.300 92 N C -0.586 174.924 175.510 0.001 0.000 1.242 92 N CA -0.139 52.917 53.050 0.010 0.000 1.192 92 N CB -0.973 37.518 38.487 0.008 0.000 1.463 92 N HN 0.224 nan 8.380 nan 0.000 0.539 93 V N -1.759 118.152 119.914 -0.004 0.000 3.181 93 V HA 0.744 4.863 4.120 -0.000 0.000 0.308 93 V C -0.274 175.811 176.094 -0.015 0.000 1.214 93 V CA -0.752 61.536 62.300 -0.020 0.000 1.053 93 V CB 1.971 33.767 31.823 -0.044 0.000 1.069 93 V HN 0.085 nan 8.190 nan 0.000 0.441 94 T N 1.979 116.519 114.554 -0.024 0.000 2.879 94 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 94 T C -0.599 174.084 174.700 -0.028 0.000 0.993 94 T CA -0.135 61.960 62.100 -0.009 0.000 0.975 94 T CB 1.281 70.150 68.868 0.001 0.000 0.981 94 T HN 1.641 nan 8.240 nan 0.000 0.439 95 V N 2.159 122.062 119.914 -0.019 0.000 2.960 95 V HA 0.783 4.903 4.120 -0.000 0.000 0.315 95 V C -0.482 175.613 176.094 0.001 0.000 1.087 95 V CA -1.538 60.729 62.300 -0.055 0.000 0.982 95 V CB 1.999 33.722 31.823 -0.166 0.000 1.039 95 V HN 0.843 nan 8.190 nan 0.000 0.437 96 R N 2.907 123.400 120.500 -0.011 0.000 2.196 96 R HA 0.775 5.115 4.340 -0.000 0.000 0.340 96 R C -0.269 176.053 176.300 0.036 0.000 1.043 96 R CA 0.410 56.526 56.100 0.027 0.000 0.883 96 R CB 0.605 30.912 30.300 0.013 0.000 1.078 96 R HN 1.241 nan 8.270 nan 0.000 0.462 97 A N 4.153 127.040 122.820 0.113 0.000 2.354 97 A HA 0.441 4.761 4.320 -0.000 0.000 0.321 97 A C -0.834 176.872 177.584 0.203 0.000 1.125 97 A CA -1.083 51.056 52.037 0.172 0.000 0.799 97 A CB 1.072 20.279 19.000 0.345 0.000 1.293 97 A HN 0.798 nan 8.150 nan 0.000 0.452 98 N N 0.406 119.230 118.700 0.206 0.000 2.454 98 N HA 0.302 5.042 4.740 -0.000 0.000 0.254 98 N C -0.789 174.890 175.510 0.282 0.000 1.228 98 N CA 0.737 53.911 53.050 0.207 0.000 0.900 98 N CB 0.491 39.085 38.487 0.178 0.000 1.089 98 N HN 0.510 nan 8.380 nan 0.000 0.449 99 I N 0.613 121.296 120.570 0.188 0.000 2.534 99 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 99 I C -0.313 175.847 176.117 0.072 0.000 1.077 99 I CA -1.065 60.259 61.300 0.040 0.000 1.051 99 I CB 1.936 39.924 38.000 -0.020 0.000 1.234 99 I HN 0.353 nan 8.210 nan 0.000 0.425 100 A N 5.021 127.841 122.820 0.000 0.000 2.343 100 A HA 0.718 5.038 4.320 -0.000 0.000 0.305 100 A C 0.403 177.999 177.584 0.021 0.000 1.308 100 A CA -0.383 51.707 52.037 0.089 0.000 0.949 100 A CB 0.291 19.420 19.000 0.215 0.000 1.148 100 A HN 0.825 nan 8.150 nan 0.000 0.545 101 A N 4.106 127.009 122.820 0.138 0.000 2.395 101 A HA 0.513 4.833 4.320 -0.000 0.000 0.286 101 A C 0.152 177.804 177.584 0.112 0.000 1.193 101 A CA -0.235 51.894 52.037 0.152 0.000 0.852 101 A CB -0.406 18.705 19.000 0.184 0.000 1.118 101 A HN 0.765 nan 8.150 nan 0.000 0.524 102 I N 3.417 124.025 120.570 0.063 0.000 2.396 102 I HA 0.130 4.299 4.170 -0.000 0.000 0.289 102 I C 1.379 177.566 176.117 0.116 0.000 1.056 102 I CA 0.281 61.630 61.300 0.081 0.000 1.365 102 I CB 1.212 39.211 38.000 -0.002 0.000 1.407 102 I HN 0.833 nan 8.210 nan 0.000 0.509 103 T N 0.827 115.454 114.554 0.121 0.000 3.004 103 T HA 0.253 4.603 4.350 -0.000 0.000 0.266 103 T C 0.202 174.953 174.700 0.085 0.000 0.986 103 T CA -0.295 61.854 62.100 0.081 0.000 0.902 103 T CB 0.393 69.301 68.868 0.066 0.000 1.118 103 T HN 0.655 nan 8.240 nan 0.000 0.522 104 E N 0.859 121.129 120.200 0.116 0.000 2.381 104 E HA 0.510 4.860 4.350 -0.000 0.000 0.286 104 E C -1.671 174.999 176.600 0.116 0.000 0.960 104 E CA -0.561 55.904 56.400 0.107 0.000 0.793 104 E CB 1.876 31.622 29.700 0.076 0.000 1.225 104 E HN 0.328 nan 8.360 nan 0.000 0.420 105 S N 2.694 118.473 115.700 0.133 0.000 2.596 105 S HA 0.642 5.112 4.470 -0.000 0.000 0.270 105 S C -1.630 173.043 174.600 0.121 0.000 1.155 105 S CA -1.027 57.239 58.200 0.110 0.000 0.827 105 S CB 1.859 65.122 63.200 0.105 0.000 1.130 105 S HN 0.363 nan 8.310 nan 0.000 0.467 106 D N 0.838 121.297 120.400 0.099 0.000 2.696 106 D HA 0.435 5.075 4.640 -0.000 0.000 0.251 106 D C -0.847 175.572 176.300 0.199 0.000 1.188 106 D CA -0.422 53.639 54.000 0.102 0.000 0.876 106 D CB 1.566 42.358 40.800 -0.013 0.000 1.334 106 D HN 0.733 nan 8.370 nan 0.000 0.540 107 K N 1.022 121.572 120.400 0.249 0.000 3.071 107 K HA -0.257 4.063 4.320 -0.000 0.000 0.262 107 K C 0.227 177.078 176.600 0.418 0.000 0.977 107 K CA 0.260 56.729 56.287 0.303 0.000 0.721 107 K CB -0.882 31.771 32.500 0.256 0.000 1.293 107 K HN 0.381 nan 8.250 nan 0.000 0.475 108 F N 0.220 120.269 119.950 0.166 0.000 2.387 108 F HA 0.252 4.779 4.527 -0.000 0.000 0.278 108 F C 0.649 176.418 175.800 -0.053 0.000 1.010 108 F CA 0.042 58.062 58.000 0.034 0.000 1.236 108 F CB 0.269 39.155 39.000 -0.189 0.000 1.137 108 F HN -0.066 nan 8.300 nan 0.000 0.604 109 F N 1.877 121.821 119.950 -0.011 0.000 2.418 109 F HA 0.301 4.828 4.527 -0.000 0.000 0.341 109 F C 0.226 175.935 175.800 -0.152 0.000 1.120 109 F CA -0.475 57.349 58.000 -0.293 0.000 1.232 109 F CB 0.037 38.882 39.000 -0.259 0.000 1.175 109 F HN -0.234 nan 8.300 nan 0.000 0.569 110 I N 2.265 122.705 120.570 -0.218 0.000 2.359 110 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 110 I C -0.040 175.807 176.117 -0.450 0.000 0.987 110 I CA -0.867 60.282 61.300 -0.252 0.000 1.225 110 I CB 1.176 39.028 38.000 -0.246 0.000 1.366 110 I HN 0.454 nan 8.210 nan 0.000 0.466 111 N N 4.252 122.491 118.700 -0.769 0.000 2.452 111 N HA 0.254 4.994 4.740 -0.000 0.000 0.266 111 N C 0.694 175.900 175.510 -0.506 0.000 1.175 111 N CA 1.249 53.631 53.050 -1.113 0.000 0.945 111 N CB 0.784 38.438 38.487 -1.388 0.000 1.063 111 N HN 0.849 nan 8.380 nan 0.000 0.472 112 G N 1.437 110.015 108.800 -0.370 0.000 2.176 112 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 112 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 112 G C 0.178 174.996 174.900 -0.137 0.000 0.986 112 G CA 0.366 45.345 45.100 -0.201 0.000 0.643 112 G HN 0.966 nan 8.290 nan 0.000 0.522 113 S N -0.757 114.811 115.700 -0.220 0.000 2.693 113 S HA 0.645 5.114 4.470 -0.000 0.000 0.276 113 S C 0.518 175.018 174.600 -0.165 0.000 1.192 113 S CA 0.333 58.386 58.200 -0.245 0.000 0.994 113 S CB 1.796 64.666 63.200 -0.550 0.000 1.012 113 S HN 0.365 nan 8.310 nan 0.000 0.550 114 N N 0.774 119.323 118.700 -0.252 0.000 2.282 114 N HA 0.276 5.016 4.740 -0.000 0.000 0.240 114 N C -0.800 174.375 175.510 -0.558 0.000 1.182 114 N CA -0.720 52.094 53.050 -0.393 0.000 0.874 114 N CB 0.348 38.598 38.487 -0.396 0.000 1.126 114 N HN 0.736 nan 8.380 nan 0.000 0.516 115 W N -0.431 120.626 121.300 -0.405 0.000 2.719 115 W HA 0.586 5.245 4.660 -0.000 0.000 0.352 115 W C -0.724 175.733 176.519 -0.104 0.000 1.085 115 W CA -0.691 56.459 57.345 -0.326 0.000 1.187 115 W CB 0.704 30.017 29.460 -0.245 0.000 1.417 115 W HN -0.092 nan 8.180 nan 0.000 0.557 116 E N 1.010 121.397 120.200 0.313 0.000 2.743 116 E HA 0.368 4.718 4.350 -0.000 0.000 0.222 116 E C 0.325 177.175 176.600 0.416 0.000 0.959 116 E CA -0.062 56.423 56.400 0.142 0.000 1.198 116 E CB 1.448 31.155 29.700 0.012 0.000 1.100 116 E HN 0.681 nan 8.360 nan 0.000 0.518 117 G N 0.248 109.393 108.800 0.575 0.000 2.550 117 G HA2 0.580 4.539 3.960 -0.000 0.000 0.293 117 G HA3 0.580 4.539 3.960 -0.000 0.000 0.293 117 G C -1.869 173.128 174.900 0.162 0.000 1.402 117 G CA -0.710 44.599 45.100 0.347 0.000 0.784 117 G HN 0.054 nan 8.290 nan 0.000 0.482 118 I N -0.137 120.462 120.570 0.049 0.000 2.569 118 I HA 0.634 4.803 4.170 -0.000 0.000 0.290 118 I C -1.608 174.563 176.117 0.090 0.000 1.088 118 I CA -1.168 60.107 61.300 -0.041 0.000 1.047 118 I CB 1.980 39.969 38.000 -0.019 0.000 1.237 118 I HN 0.479 nan 8.210 nan 0.000 0.421 119 L N 8.123 129.350 121.223 0.007 0.000 2.283 119 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 119 L C -0.005 176.826 176.870 -0.064 0.000 1.033 119 L CA -0.039 54.787 54.840 -0.024 0.000 0.848 119 L CB 0.994 42.906 42.059 -0.245 0.000 1.226 119 L HN 0.623 nan 8.230 nan 0.000 0.429 120 G N 5.227 114.039 108.800 0.021 0.000 2.351 120 G HA2 0.409 4.368 3.960 -0.000 0.000 0.287 120 G HA3 0.409 4.368 3.960 -0.000 0.000 0.287 120 G C 0.375 175.260 174.900 -0.026 0.000 1.159 120 G CA -0.397 44.707 45.100 0.007 0.000 0.929 120 G HN 0.738 nan 8.290 nan 0.000 0.435 121 L N 1.944 123.112 121.223 -0.092 0.000 2.640 121 L HA 0.274 4.613 4.340 -0.000 0.000 0.230 121 L C 1.853 178.679 176.870 -0.074 0.000 1.123 121 L CA -0.115 54.632 54.840 -0.156 0.000 0.900 121 L CB 0.054 41.828 42.059 -0.474 0.000 1.146 121 L HN 0.590 nan 8.230 nan 0.000 0.484 122 A N -0.840 121.909 122.820 -0.118 0.000 2.275 122 A HA 0.410 4.729 4.320 -0.000 0.000 0.282 122 A C -0.695 176.641 177.584 -0.413 0.000 1.275 122 A CA -0.098 51.686 52.037 -0.421 0.000 0.842 122 A CB 0.059 18.876 19.000 -0.304 0.000 1.280 122 A HN 0.071 nan 8.150 nan 0.000 0.508 123 Y N -1.899 118.283 120.300 -0.198 0.000 2.392 123 Y HA 0.439 4.988 4.550 -0.000 0.000 0.323 123 Y C 1.664 177.551 175.900 -0.023 0.000 1.291 123 Y CA 0.289 58.348 58.100 -0.068 0.000 1.345 123 Y CB 0.910 39.340 38.460 -0.051 0.000 1.320 123 Y HN 0.658 nan 8.280 nan 0.000 0.518 124 A N 0.290 123.236 122.820 0.209 0.000 1.978 124 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 124 A C 1.917 179.565 177.584 0.106 0.000 1.170 124 A CA 1.844 53.958 52.037 0.128 0.000 0.636 124 A CB -0.660 18.412 19.000 0.119 0.000 0.810 124 A HN 0.951 nan 8.150 nan 0.000 0.448 125 E N -0.456 119.822 120.200 0.130 0.000 2.169 125 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 125 E C 1.590 178.253 176.600 0.106 0.000 1.016 125 E CA 1.706 58.179 56.400 0.123 0.000 0.817 125 E CB -0.334 29.476 29.700 0.183 0.000 0.736 125 E HN 0.942 nan 8.360 nan 0.000 0.462 126 I N -3.062 117.535 120.570 0.045 0.000 3.941 126 I HA 0.342 4.511 4.170 -0.000 0.000 0.335 126 I C 0.605 176.705 176.117 -0.028 0.000 1.402 126 I CA -0.567 60.705 61.300 -0.047 0.000 1.112 126 I CB 0.375 38.167 38.000 -0.347 0.000 1.043 126 I HN -0.222 nan 8.210 nan 0.000 0.395 127 A N 1.731 124.564 122.820 0.023 0.000 2.425 127 A HA 0.515 4.835 4.320 -0.000 0.000 0.242 127 A C 0.079 177.692 177.584 0.047 0.000 1.077 127 A CA -0.100 51.967 52.037 0.049 0.000 0.781 127 A CB 0.309 19.354 19.000 0.074 0.000 1.020 127 A HN 0.576 nan 8.150 nan 0.000 0.494 128 R N 1.273 121.807 120.500 0.057 0.000 2.562 128 R HA 0.423 4.762 4.340 -0.000 0.000 0.298 128 R C -1.916 174.415 176.300 0.050 0.000 0.961 128 R CA -1.707 54.410 56.100 0.028 0.000 0.881 128 R CB 1.900 32.180 30.300 -0.033 0.000 1.159 128 R HN 0.570 nan 8.270 nan 0.000 0.450 129 P HA -0.033 nan 4.420 nan 0.000 0.231 129 P C -0.850 176.469 177.300 0.030 0.000 1.168 129 P CA 1.009 64.121 63.100 0.021 0.000 0.779 129 P CB 0.343 32.058 31.700 0.026 0.000 0.844 130 D N -1.722 118.703 120.400 0.042 0.000 2.779 130 D HA 0.035 4.674 4.640 -0.000 0.000 0.331 130 D C -0.425 175.906 176.300 0.052 0.000 1.331 130 D CA -0.607 53.419 54.000 0.044 0.000 0.866 130 D CB -0.489 40.334 40.800 0.038 0.000 1.409 130 D HN -0.272 nan 8.370 nan 0.000 0.486 131 D N -1.163 119.268 120.400 0.052 0.000 2.363 131 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 131 D C 1.159 177.494 176.300 0.057 0.000 1.020 131 D CA 0.674 54.709 54.000 0.060 0.000 0.892 131 D CB -0.124 40.711 40.800 0.058 0.000 0.900 131 D HN 0.278 nan 8.370 nan 0.000 0.531 132 S N -0.403 115.327 115.700 0.051 0.000 2.496 132 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 132 S C 0.866 175.500 174.600 0.056 0.000 0.996 132 S CA -0.465 57.763 58.200 0.048 0.000 0.927 132 S CB -0.349 62.874 63.200 0.039 0.000 0.774 132 S HN 0.236 nan 8.310 nan 0.000 0.524 133 L N 3.495 124.758 121.223 0.066 0.000 2.401 133 L HA 0.320 4.660 4.340 -0.000 0.000 0.283 133 L C 0.275 177.199 176.870 0.090 0.000 1.151 133 L CA -0.161 54.727 54.840 0.080 0.000 0.942 133 L CB -0.234 41.881 42.059 0.092 0.000 1.283 133 L HN 0.286 nan 8.230 nan 0.000 0.442 134 E N 6.320 126.569 120.200 0.081 0.000 2.606 134 E HA 0.016 4.366 4.350 -0.000 0.000 0.248 134 E C -2.111 174.551 176.600 0.103 0.000 1.005 134 E CA -1.209 55.239 56.400 0.080 0.000 0.946 134 E CB 0.475 30.208 29.700 0.055 0.000 0.928 134 E HN 0.411 nan 8.360 nan 0.000 0.494 135 P HA -0.053 nan 4.420 nan 0.000 0.270 135 P C -0.046 177.343 177.300 0.147 0.000 1.223 135 P CA -0.175 63.013 63.100 0.146 0.000 0.785 135 P CB 0.369 32.142 31.700 0.122 0.000 0.923 136 F N 1.905 121.881 119.950 0.043 0.000 2.091 136 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 136 F C 1.910 177.691 175.800 -0.032 0.000 1.103 136 F CA 1.572 59.553 58.000 -0.031 0.000 1.228 136 F CB -0.705 38.199 39.000 -0.161 0.000 0.984 136 F HN 0.212 nan 8.300 nan 0.000 0.477 137 F N 1.246 121.111 119.950 -0.141 0.000 2.186 137 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 137 F C 2.019 177.705 175.800 -0.190 0.000 1.090 137 F CA 2.017 59.882 58.000 -0.226 0.000 1.307 137 F CB -0.665 38.312 39.000 -0.039 0.000 1.019 137 F HN -0.006 nan 8.300 nan 0.000 0.489 138 D N -0.721 119.722 120.400 0.071 0.000 2.116 138 D HA -0.209 4.430 4.640 -0.000 0.000 0.193 138 D C 2.353 178.582 176.300 -0.119 0.000 0.998 138 D CA 1.947 55.963 54.000 0.025 0.000 0.836 138 D CB -0.272 40.576 40.800 0.080 0.000 0.951 138 D HN 0.158 nan 8.370 nan 0.000 0.449 139 S N 0.069 115.656 115.700 -0.189 0.000 2.368 139 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 139 S C 1.810 176.192 174.600 -0.363 0.000 1.030 139 S CA 0.404 58.465 58.200 -0.232 0.000 0.999 139 S CB -0.313 62.766 63.200 -0.203 0.000 0.844 139 S HN 0.190 nan 8.310 nan 0.000 0.459 140 L N 1.809 122.652 121.223 -0.633 0.000 2.012 140 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 140 L C 2.157 178.750 176.870 -0.462 0.000 1.073 140 L CA 1.668 56.093 54.840 -0.691 0.000 0.748 140 L CB -0.588 40.827 42.059 -1.073 0.000 0.891 140 L HN 0.137 nan 8.230 nan 0.000 0.431 141 V N -0.585 119.077 119.914 -0.419 0.000 2.488 141 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 141 V C 2.590 178.600 176.094 -0.140 0.000 1.046 141 V CA 1.828 63.985 62.300 -0.238 0.000 1.053 141 V CB -0.521 31.229 31.823 -0.121 0.000 0.679 141 V HN 0.476 nan 8.190 nan 0.000 0.458 142 K N -0.202 120.120 120.400 -0.131 0.000 2.148 142 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 142 K C 1.997 178.531 176.600 -0.110 0.000 1.050 142 K CA 1.436 57.670 56.287 -0.087 0.000 0.942 142 K CB 0.031 32.490 32.500 -0.067 0.000 0.724 142 K HN 0.527 nan 8.250 nan 0.000 0.446 143 Q N -0.395 119.312 119.800 -0.155 0.000 2.319 143 Q HA 0.049 4.389 4.340 -0.000 0.000 0.209 143 Q C -0.020 175.855 176.000 -0.208 0.000 0.884 143 Q CA 0.355 56.063 55.803 -0.159 0.000 0.938 143 Q CB 1.399 30.049 28.738 -0.147 0.000 1.098 143 Q HN 0.300 nan 8.270 nan 0.000 0.517 144 T N -3.539 110.877 114.554 -0.230 0.000 2.858 144 T HA 0.283 4.633 4.350 -0.000 0.000 0.285 144 T C 0.202 174.738 174.700 -0.274 0.000 1.052 144 T CA -0.822 61.114 62.100 -0.274 0.000 1.009 144 T CB 1.042 69.797 68.868 -0.188 0.000 1.241 144 T HN 0.011 nan 8.240 nan 0.000 0.542 145 H N -0.420 118.627 119.070 -0.038 0.000 2.538 145 H HA 0.343 4.899 4.556 -0.000 0.000 0.286 145 H C 0.286 175.611 175.328 -0.006 0.000 1.035 145 H CA -0.231 55.806 56.048 -0.018 0.000 1.169 145 H CB -0.392 29.366 29.762 -0.007 0.000 1.417 145 H HN 0.280 nan 8.280 nan 0.000 0.567 146 V N 4.263 124.204 119.914 0.045 0.000 2.493 146 V HA 0.003 4.122 4.120 -0.000 0.000 0.292 146 V C -1.720 174.412 176.094 0.062 0.000 1.016 146 V CA -0.990 61.334 62.300 0.040 0.000 1.097 146 V CB 0.446 32.235 31.823 -0.058 0.000 0.947 146 V HN 0.152 nan 8.190 nan 0.000 0.479 147 P HA 0.057 nan 4.420 nan 0.000 0.269 147 P C -0.058 177.354 177.300 0.186 0.000 1.215 147 P CA -0.277 62.907 63.100 0.140 0.000 0.780 147 P CB 0.332 32.125 31.700 0.154 0.000 0.898 148 N N 2.625 121.440 118.700 0.192 0.000 3.178 148 N HA 0.188 4.928 4.740 -0.000 0.000 0.300 148 N C -0.734 174.962 175.510 0.310 0.000 1.242 148 N CA -0.020 53.209 53.050 0.298 0.000 1.192 148 N CB -1.203 37.422 38.487 0.231 0.000 1.463 148 N HN 0.352 nan 8.380 nan 0.000 0.539 149 L N -1.317 120.121 121.223 0.359 0.000 2.710 149 L HA 0.750 5.090 4.340 -0.000 0.000 0.260 149 L C -1.646 175.380 176.870 0.261 0.000 0.993 149 L CA -1.142 53.801 54.840 0.171 0.000 0.877 149 L CB 1.372 43.449 42.059 0.029 0.000 1.461 149 L HN 0.012 nan 8.230 nan 0.000 0.413 150 F N -0.130 119.786 119.950 -0.056 0.000 2.662 150 F HA 0.952 5.478 4.527 -0.000 0.000 0.312 150 F C -0.845 174.887 175.800 -0.113 0.000 1.113 150 F CA -0.241 57.707 58.000 -0.086 0.000 0.951 150 F CB 1.583 40.471 39.000 -0.186 0.000 1.344 150 F HN 0.773 nan 8.300 nan 0.000 0.462 151 S N 1.131 116.851 115.700 0.033 0.000 2.588 151 S HA 0.867 5.337 4.470 -0.000 0.000 0.275 151 S C -1.714 172.924 174.600 0.064 0.000 1.130 151 S CA -0.903 57.214 58.200 -0.138 0.000 0.855 151 S CB 1.987 64.917 63.200 -0.449 0.000 1.116 151 S HN 0.893 nan 8.310 nan 0.000 0.472 152 L N 1.330 122.553 121.223 0.001 0.000 2.438 152 L HA 0.551 4.891 4.340 -0.000 0.000 0.270 152 L C -0.701 176.267 176.870 0.163 0.000 0.972 152 L CA -0.365 54.529 54.840 0.090 0.000 0.831 152 L CB 2.163 44.265 42.059 0.070 0.000 1.273 152 L HN 0.767 nan 8.230 nan 0.000 0.405 153 Q N 4.820 124.734 119.800 0.191 0.000 2.413 153 Q HA 0.482 4.822 4.340 -0.000 0.000 0.258 153 Q C -1.563 174.410 176.000 -0.045 0.000 1.037 153 Q CA -0.556 55.333 55.803 0.144 0.000 0.764 153 Q CB 1.304 30.112 28.738 0.116 0.000 1.217 153 Q HN 0.614 nan 8.270 nan 0.000 0.490 154 L N 3.517 124.653 121.223 -0.145 0.000 2.257 154 L HA 0.326 4.666 4.340 -0.000 0.000 0.290 154 L C 0.507 177.320 176.870 -0.094 0.000 1.044 154 L CA -0.598 54.009 54.840 -0.388 0.000 0.810 154 L CB 1.086 42.730 42.059 -0.691 0.000 1.193 154 L HN 0.783 nan 8.230 nan 0.000 0.425 155 c N 1.014 119.644 118.600 0.050 0.000 2.609 155 c HA 0.169 4.739 4.570 -0.000 0.000 0.305 155 c C 1.638 175.814 174.090 0.143 0.000 1.319 155 c CA 0.282 56.669 56.329 0.096 0.000 1.793 155 c CB -0.215 42.338 42.510 0.072 0.000 2.260 155 c HN 1.158 nan 8.230 nan 0.000 0.535 156 G N 1.409 110.365 108.800 0.260 0.000 2.323 156 G HA2 0.216 4.175 3.960 -0.000 0.000 0.292 156 G HA3 0.216 4.175 3.960 -0.000 0.000 0.292 156 G C 0.380 175.326 174.900 0.077 0.000 1.040 156 G CA 0.512 45.719 45.100 0.179 0.000 0.942 156 G HN 1.934 nan 8.290 nan 0.000 0.506 169 S N 0.393 116.079 115.700 -0.023 0.000 2.489 169 S HA 0.504 4.973 4.470 -0.000 0.000 0.277 169 S C 0.467 175.037 174.600 -0.049 0.000 1.230 169 S CA 0.060 58.237 58.200 -0.038 0.000 1.053 169 S CB 0.631 63.815 63.200 -0.026 0.000 0.955 169 S HN 1.739 nan 8.310 nan 0.000 0.488 170 V N 1.790 121.645 119.914 -0.097 0.000 3.134 170 V HA 1.052 5.171 4.120 -0.000 0.000 0.313 170 V C 0.549 176.613 176.094 -0.050 0.000 1.069 170 V CA -0.351 61.900 62.300 -0.080 0.000 1.048 170 V CB 1.054 32.742 31.823 -0.225 0.000 1.119 170 V HN 0.853 nan 8.190 nan 0.000 0.461 171 G N -0.793 108.063 108.800 0.092 0.000 2.721 171 G HA2 0.909 4.869 3.960 -0.000 0.000 0.296 171 G HA3 0.909 4.869 3.960 -0.000 0.000 0.296 171 G C -0.452 174.560 174.900 0.187 0.000 1.383 171 G CA -0.241 44.913 45.100 0.089 0.000 0.788 171 G HN 1.782 nan 8.290 nan 0.000 0.500 172 G N -1.597 107.252 108.800 0.082 0.000 2.317 172 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 172 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 172 G C -1.431 173.470 174.900 0.002 0.000 1.287 172 G CA 0.159 45.275 45.100 0.027 0.000 0.850 172 G HN 1.287 nan 8.290 nan 0.000 0.515 173 S N -0.178 115.520 115.700 -0.003 0.000 2.571 173 S HA 0.642 5.112 4.470 -0.000 0.000 0.284 173 S C -0.530 174.095 174.600 0.041 0.000 1.128 173 S CA -0.474 57.738 58.200 0.020 0.000 0.970 173 S CB 1.607 64.821 63.200 0.023 0.000 1.039 173 S HN 0.760 nan 8.310 nan 0.000 0.485 174 M N 5.019 124.643 119.600 0.039 0.000 2.044 174 M HA 0.465 4.945 4.480 -0.000 0.000 0.333 174 M C -1.596 174.752 176.300 0.079 0.000 1.004 174 M CA -0.678 54.654 55.300 0.052 0.000 0.954 174 M CB 0.133 32.730 32.600 -0.005 0.000 1.468 174 M HN 0.444 nan 8.290 nan 0.000 0.414 175 I N 6.599 127.222 120.570 0.088 0.000 2.291 175 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 175 I C -0.017 176.130 176.117 0.050 0.000 1.064 175 I CA -0.389 60.919 61.300 0.012 0.000 1.269 175 I CB 0.081 38.005 38.000 -0.128 0.000 1.418 175 I HN 0.592 nan 8.210 nan 0.000 0.485 176 I N 5.285 125.932 120.570 0.129 0.000 2.325 176 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 176 I C 1.272 177.529 176.117 0.234 0.000 1.019 176 I CA 0.111 61.562 61.300 0.252 0.000 1.302 176 I CB 0.673 38.819 38.000 0.243 0.000 1.401 176 I HN 0.876 nan 8.210 nan 0.000 0.485 177 G N 4.302 113.267 108.800 0.275 0.000 2.141 177 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.242 177 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.242 177 G C 0.363 175.367 174.900 0.173 0.000 0.982 177 G CA 0.008 45.260 45.100 0.254 0.000 0.662 177 G HN 1.254 nan 8.290 nan 0.000 0.527 178 G N -1.276 107.462 108.800 -0.103 0.000 2.348 178 G HA2 0.590 4.549 3.960 -0.000 0.000 0.296 178 G HA3 0.590 4.549 3.960 -0.000 0.000 0.296 178 G C -1.664 172.966 174.900 -0.449 0.000 1.258 178 G CA -0.255 44.666 45.100 -0.297 0.000 0.868 178 G HN 0.853 nan 8.290 nan 0.000 0.488 179 I N 0.864 121.169 120.570 -0.443 0.000 2.569 179 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 179 I C -1.662 174.294 176.117 -0.268 0.000 1.088 179 I CA -0.654 60.529 61.300 -0.195 0.000 1.047 179 I CB 2.453 40.414 38.000 -0.065 0.000 1.237 179 I HN 0.398 nan 8.210 nan 0.000 0.421 180 D N 5.172 125.506 120.400 -0.112 0.000 2.381 180 D HA 0.234 4.874 4.640 -0.000 0.000 0.235 180 D C 0.848 177.048 176.300 -0.165 0.000 1.068 180 D CA -0.243 53.673 54.000 -0.139 0.000 0.832 180 D CB 0.962 41.724 40.800 -0.063 0.000 1.101 180 D HN 0.480 nan 8.370 nan 0.000 0.515 181 H N 1.730 120.839 119.070 0.065 0.000 2.521 181 H HA -0.086 4.470 4.556 -0.000 0.000 0.286 181 H C 1.860 176.984 175.328 -0.340 0.000 1.034 181 H CA 1.075 57.029 56.048 -0.157 0.000 1.278 181 H CB 0.105 29.790 29.762 -0.128 0.000 1.386 181 H HN 0.412 nan 8.280 nan 0.000 0.567 182 S N 0.705 116.340 115.700 -0.109 0.000 2.481 182 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 182 S C 1.946 176.440 174.600 -0.178 0.000 0.996 182 S CA 0.277 58.401 58.200 -0.127 0.000 0.942 182 S CB -0.526 62.635 63.200 -0.065 0.000 0.768 182 S HN 0.304 nan 8.310 nan 0.000 0.520 183 L N 0.333 121.390 121.223 -0.277 0.000 2.554 183 L HA 0.265 4.605 4.340 -0.000 0.000 0.226 183 L C 0.548 177.288 176.870 -0.216 0.000 1.137 183 L CA 0.028 54.636 54.840 -0.386 0.000 0.863 183 L CB -0.486 41.053 42.059 -0.866 0.000 0.985 183 L HN 0.622 nan 8.230 nan 0.000 0.451 184 Y N -2.563 117.601 120.300 -0.226 0.000 2.625 184 Y HA 0.625 5.175 4.550 -0.000 0.000 0.338 184 Y C -0.299 175.615 175.900 0.024 0.000 1.123 184 Y CA -1.390 56.687 58.100 -0.038 0.000 1.046 184 Y CB 1.020 39.534 38.460 0.089 0.000 1.299 184 Y HN -0.116 nan 8.280 nan 0.000 0.464 185 T N -0.795 113.863 114.554 0.174 0.000 2.942 185 T HA 0.750 5.099 4.350 -0.000 0.000 0.289 185 T C 0.573 175.413 174.700 0.233 0.000 1.044 185 T CA -0.147 62.006 62.100 0.089 0.000 1.023 185 T CB 1.032 69.938 68.868 0.064 0.000 1.123 185 T HN 2.197 nan 8.240 nan 0.000 0.512 186 G N 1.288 110.174 108.800 0.144 0.000 2.574 186 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.282 186 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.282 186 G C 0.095 175.157 174.900 0.271 0.000 1.257 186 G CA 0.064 45.270 45.100 0.178 0.000 0.956 186 G HN 1.505 nan 8.290 nan 0.000 0.560 187 S N -1.160 114.683 115.700 0.237 0.000 2.593 187 S HA 0.680 5.150 4.470 -0.000 0.000 0.297 187 S C 0.420 175.048 174.600 0.045 0.000 1.112 187 S CA -0.638 57.643 58.200 0.135 0.000 1.043 187 S CB 0.831 63.997 63.200 -0.056 0.000 1.054 187 S HN 0.737 nan 8.310 nan 0.000 0.516 188 L N 3.367 124.485 121.223 -0.174 0.000 2.416 188 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 188 L C -0.950 175.538 176.870 -0.637 0.000 1.161 188 L CA -0.069 54.506 54.840 -0.442 0.000 0.845 188 L CB 0.416 42.124 42.059 -0.584 0.000 1.119 188 L HN 0.687 nan 8.230 nan 0.000 0.464 189 W N 2.610 123.492 121.300 -0.698 0.000 2.656 189 W HA 0.444 5.104 4.660 -0.000 0.000 0.327 189 W C -0.760 175.124 176.519 -1.058 0.000 1.041 189 W CA -0.280 56.514 57.345 -0.917 0.000 1.229 189 W CB 1.133 29.764 29.460 -1.381 0.000 1.397 189 W HN 0.184 nan 8.180 nan 0.000 0.479 190 Y N 1.498 121.587 120.300 -0.352 0.000 2.387 190 Y HA 0.553 5.103 4.550 -0.001 0.000 0.336 190 Y C 0.579 176.608 175.900 0.215 0.000 1.067 190 Y CA -0.728 57.322 58.100 -0.083 0.000 1.114 190 Y CB 2.123 40.532 38.460 -0.086 0.000 1.208 190 Y HN 0.142 nan 8.280 nan 0.000 0.458 191 T N 4.734 119.595 114.554 0.511 0.000 2.856 191 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 191 T C -2.872 172.003 174.700 0.293 0.000 1.008 191 T CA -2.618 59.765 62.100 0.471 0.000 0.997 191 T CB 1.044 70.173 68.868 0.435 0.000 0.992 191 T HN 0.241 nan 8.240 nan 0.000 0.454 192 P HA 0.291 nan 4.420 nan 0.000 0.271 192 P C -0.487 176.920 177.300 0.178 0.000 1.216 192 P CA -0.236 62.966 63.100 0.170 0.000 0.776 192 P CB 0.249 32.031 31.700 0.136 0.000 0.881 193 I N 3.643 124.319 120.570 0.178 0.000 2.421 193 I HA 0.088 4.258 4.170 -0.000 0.000 0.291 193 I C 2.023 178.241 176.117 0.168 0.000 1.089 193 I CA 0.110 61.539 61.300 0.215 0.000 1.354 193 I CB 0.302 38.460 38.000 0.264 0.000 1.413 193 I HN 0.428 nan 8.210 nan 0.000 0.513 194 R N 5.542 126.153 120.500 0.185 0.000 2.081 194 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 194 R C 0.768 177.137 176.300 0.114 0.000 1.131 194 R CA 1.284 57.473 56.100 0.147 0.000 0.960 194 R CB 0.274 30.679 30.300 0.174 0.000 0.856 194 R HN 0.589 nan 8.270 nan 0.000 0.436 195 R N -0.067 120.538 120.500 0.175 0.000 2.604 195 R HA 0.116 4.455 4.340 -0.000 0.000 0.270 195 R C -1.579 174.831 176.300 0.183 0.000 1.052 195 R CA -0.448 55.707 56.100 0.092 0.000 0.902 195 R CB 1.671 31.944 30.300 -0.045 0.000 1.233 195 R HN 0.033 nan 8.270 nan 0.000 0.455 196 E N 4.932 125.067 120.200 -0.107 0.000 1.856 196 E HA 0.074 4.424 4.350 -0.000 0.000 0.263 196 E C -0.252 176.282 176.600 -0.111 0.000 1.137 196 E CA -0.041 56.017 56.400 -0.569 0.000 1.007 196 E CB 0.256 29.299 29.700 -1.095 0.000 1.117 196 E HN 0.489 nan 8.360 nan 0.000 0.438 197 W N 1.571 122.833 121.300 -0.063 0.000 4.559 197 W HA 0.174 4.834 4.660 -0.000 0.000 0.172 197 W C -0.235 176.266 176.519 -0.030 0.000 3.305 197 W CA -0.271 57.074 57.345 -0.001 0.000 1.529 197 W CB -0.608 28.847 29.460 -0.008 0.000 1.951 197 W HN 0.020 nan 8.180 nan 0.000 0.514 198 Y N 0.826 120.821 120.300 -0.507 0.000 2.260 198 Y HA 0.224 4.773 4.550 -0.000 0.000 0.339 198 Y C -0.018 175.810 175.900 -0.119 0.000 1.317 198 Y CA -0.238 57.633 58.100 -0.383 0.000 1.514 198 Y CB -0.042 38.085 38.460 -0.555 0.000 1.382 198 Y HN -0.172 nan 8.280 nan 0.000 0.581 199 Y N 1.058 121.556 120.300 0.331 0.000 2.530 199 Y HA 0.082 4.632 4.550 -0.001 0.000 0.340 199 Y C 0.457 176.511 175.900 0.258 0.000 1.247 199 Y CA -0.360 57.947 58.100 0.345 0.000 1.727 199 Y CB -0.596 38.089 38.460 0.375 0.000 1.613 199 Y HN 0.400 nan 8.280 nan 0.000 0.464 200 E N 2.651 123.073 120.200 0.370 0.000 2.227 200 E HA 0.514 4.864 4.350 -0.000 0.000 0.282 200 E C -0.838 175.925 176.600 0.273 0.000 1.015 200 E CA -0.549 56.036 56.400 0.309 0.000 0.823 200 E CB 1.018 30.989 29.700 0.451 0.000 1.081 200 E HN 0.417 nan 8.360 nan 0.000 0.396 201 V N 1.412 121.451 119.914 0.208 0.000 3.141 201 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 201 V C -0.611 175.559 176.094 0.126 0.000 1.157 201 V CA -0.970 61.430 62.300 0.167 0.000 1.041 201 V CB 1.745 33.659 31.823 0.152 0.000 1.071 201 V HN 0.583 nan 8.190 nan 0.000 0.441 202 I N 1.929 122.556 120.570 0.094 0.000 2.389 202 I HA 0.495 4.665 4.170 -0.000 0.000 0.288 202 I C -0.686 175.443 176.117 0.019 0.000 0.999 202 I CA -0.463 60.884 61.300 0.079 0.000 1.129 202 I CB 1.825 39.881 38.000 0.093 0.000 1.288 202 I HN 0.512 nan 8.210 nan 0.000 0.444 203 I N 6.729 127.313 120.570 0.024 0.000 2.325 203 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 203 I C 1.134 177.287 176.117 0.059 0.000 1.019 203 I CA -0.188 61.090 61.300 -0.036 0.000 1.302 203 I CB 1.499 39.452 38.000 -0.078 0.000 1.401 203 I HN 0.505 nan 8.210 nan 0.000 0.485 204 V N 3.088 123.003 119.914 0.002 0.000 3.660 204 V HA 0.407 4.527 4.120 -0.000 0.000 0.276 204 V C 0.557 176.673 176.094 0.036 0.000 1.317 204 V CA 0.146 62.476 62.300 0.050 0.000 1.097 204 V CB -0.248 31.576 31.823 0.002 0.000 0.863 204 V HN 0.868 nan 8.190 nan 0.000 0.438 205 R N -0.646 119.788 120.500 -0.111 0.000 2.728 205 R HA 0.629 4.969 4.340 -0.000 0.000 0.259 205 R C -2.517 173.525 176.300 -0.429 0.000 1.057 205 R CA -0.377 55.569 56.100 -0.255 0.000 0.908 205 R CB 2.417 32.375 30.300 -0.569 0.000 1.259 205 R HN 0.037 nan 8.270 nan 0.000 0.472 206 V N 2.757 122.373 119.914 -0.497 0.000 2.577 206 V HA 0.466 4.585 4.120 -0.000 0.000 0.303 206 V C -0.807 175.175 176.094 -0.187 0.000 1.042 206 V CA -0.689 61.359 62.300 -0.420 0.000 0.872 206 V CB 1.952 33.351 31.823 -0.708 0.000 0.998 206 V HN 0.764 nan 8.190 nan 0.000 0.423 207 E N 3.836 123.982 120.200 -0.090 0.000 2.238 207 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 207 E C -1.407 175.172 176.600 -0.034 0.000 0.887 207 E CA -0.738 55.637 56.400 -0.042 0.000 0.769 207 E CB 3.061 32.771 29.700 0.016 0.000 1.187 207 E HN 0.539 nan 8.360 nan 0.000 0.416 208 I N 2.560 123.118 120.570 -0.020 0.000 2.410 208 I HA 0.187 4.357 4.170 -0.000 0.000 0.286 208 I C 0.211 176.344 176.117 0.027 0.000 1.009 208 I CA -0.073 61.228 61.300 0.003 0.000 1.111 208 I CB 0.910 38.904 38.000 -0.008 0.000 1.262 208 I HN 0.667 nan 8.210 nan 0.000 0.443 209 N N 4.734 123.466 118.700 0.053 0.000 2.725 209 N HA -0.240 4.499 4.740 -0.000 0.000 0.249 209 N C 1.009 176.542 175.510 0.038 0.000 1.103 209 N CA 0.598 53.683 53.050 0.058 0.000 0.707 209 N CB -0.369 38.156 38.487 0.063 0.000 1.043 209 N HN 1.158 nan 8.380 nan 0.000 0.553 210 G N -0.916 107.900 108.800 0.027 0.000 2.217 210 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 210 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 210 G C -0.200 174.703 174.900 0.005 0.000 0.990 210 G CA 0.498 45.610 45.100 0.021 0.000 0.627 210 G HN 0.490 nan 8.290 nan 0.000 0.522 211 Q N 1.628 121.428 119.800 -0.001 0.000 2.278 211 Q HA 0.437 4.776 4.340 -0.000 0.000 0.257 211 Q C -0.535 175.450 176.000 -0.026 0.000 0.928 211 Q CA -0.374 55.421 55.803 -0.013 0.000 0.932 211 Q CB 1.749 30.482 28.738 -0.009 0.000 1.221 211 Q HN 0.647 nan 8.270 nan 0.000 0.434 212 D N 2.241 122.617 120.400 -0.041 0.000 2.294 212 D HA 0.051 4.690 4.640 -0.000 0.000 0.250 212 D C 0.431 176.718 176.300 -0.022 0.000 1.058 212 D CA -0.561 53.408 54.000 -0.051 0.000 0.950 212 D CB 1.356 42.096 40.800 -0.101 0.000 1.158 212 D HN 0.257 nan 8.370 nan 0.000 0.453 213 L N 0.717 121.946 121.223 0.009 0.000 2.551 213 L HA -0.007 4.333 4.340 -0.000 0.000 0.228 213 L C 1.343 178.240 176.870 0.045 0.000 1.153 213 L CA 0.575 55.442 54.840 0.045 0.000 0.851 213 L CB -1.100 41.030 42.059 0.118 0.000 0.959 213 L HN 0.560 nan 8.230 nan 0.000 0.451 214 K N -0.523 119.898 120.400 0.035 0.000 3.035 214 K HA -0.224 4.096 4.320 -0.000 0.000 0.262 214 K C 0.164 176.752 176.600 -0.019 0.000 1.024 214 K CA 0.827 57.113 56.287 -0.001 0.000 0.748 214 K CB -1.473 31.015 32.500 -0.019 0.000 1.247 214 K HN 0.346 nan 8.250 nan 0.000 0.482 215 M N 0.803 120.396 119.600 -0.013 0.000 2.363 215 M HA 0.092 4.572 4.480 -0.000 0.000 0.343 215 M C 0.256 176.393 176.300 -0.272 0.000 1.165 215 M CA -0.641 54.571 55.300 -0.148 0.000 1.046 215 M CB 1.256 33.738 32.600 -0.197 0.000 1.648 215 M HN 0.040 nan 8.290 nan 0.000 0.452 216 D N 2.146 122.402 120.400 -0.239 0.000 2.581 216 D HA -0.091 4.549 4.640 -0.000 0.000 0.238 216 D C 1.173 177.224 176.300 -0.416 0.000 1.145 216 D CA 0.012 53.872 54.000 -0.234 0.000 0.866 216 D CB 0.723 41.420 40.800 -0.171 0.000 1.151 216 D HN 0.734 nan 8.370 nan 0.000 0.500 217 c N 3.609 122.019 118.600 -0.316 0.000 2.437 217 c HA 0.033 4.603 4.570 -0.000 0.000 0.283 217 c C 2.153 176.102 174.090 -0.236 0.000 1.424 217 c CA -0.057 56.062 56.329 -0.350 0.000 1.782 217 c CB -0.846 41.683 42.510 0.031 0.000 1.833 217 c HN 0.706 nan 8.230 nan 0.000 0.532 218 K N 0.845 121.151 120.400 -0.157 0.000 2.209 218 K HA -0.107 4.212 4.320 -0.000 0.000 0.204 218 K C 2.034 178.610 176.600 -0.040 0.000 1.048 218 K CA 1.226 57.492 56.287 -0.036 0.000 0.940 218 K CB -0.084 32.410 32.500 -0.010 0.000 0.729 218 K HN 0.522 nan 8.250 nan 0.000 0.451 219 E N -0.222 119.860 120.200 -0.196 0.000 2.150 219 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 219 E C 1.688 178.285 176.600 -0.004 0.000 0.985 219 E CA 1.158 57.476 56.400 -0.138 0.000 0.814 219 E CB -0.239 29.316 29.700 -0.242 0.000 0.752 219 E HN 0.552 nan 8.360 nan 0.000 0.466 220 Y N 0.637 120.965 120.300 0.046 0.000 2.421 220 Y HA -0.095 4.455 4.550 -0.000 0.000 0.292 220 Y C 0.880 176.808 175.900 0.047 0.000 1.136 220 Y CA 0.568 58.688 58.100 0.032 0.000 1.255 220 Y CB 0.007 38.467 38.460 0.001 0.000 0.991 220 Y HN 0.053 nan 8.280 nan 0.000 0.552 221 N N -1.428 117.394 118.700 0.204 0.000 2.433 221 N HA 0.025 4.765 4.740 -0.000 0.000 0.270 221 N C -1.205 174.410 175.510 0.174 0.000 1.354 221 N CA -0.266 52.888 53.050 0.172 0.000 0.889 221 N CB 0.259 38.856 38.487 0.184 0.000 1.285 221 N HN 0.085 nan 8.380 nan 0.000 0.503 222 Y N 2.680 122.951 120.300 -0.049 0.000 2.454 222 Y HA 0.173 4.723 4.550 -0.000 0.000 0.345 222 Y C 0.377 176.142 175.900 -0.225 0.000 0.970 222 Y CA -1.626 56.330 58.100 -0.240 0.000 1.204 222 Y CB 0.393 38.728 38.460 -0.209 0.000 1.122 222 Y HN 0.212 nan 8.280 nan 0.000 0.514 223 D N 3.629 123.703 120.400 -0.543 0.000 2.363 223 D HA 0.129 4.769 4.640 -0.000 0.000 0.214 223 D C -0.303 176.009 176.300 0.021 0.000 1.093 223 D CA 0.055 53.796 54.000 -0.431 0.000 0.837 223 D CB 0.520 41.024 40.800 -0.493 0.000 0.948 223 D HN 0.376 nan 8.370 nan 0.000 0.507 224 K N -0.529 119.872 120.400 0.002 0.000 2.551 224 K HA 0.433 4.753 4.320 -0.000 0.000 0.269 224 K C -1.567 175.047 176.600 0.024 0.000 0.949 224 K CA -0.600 55.727 56.287 0.066 0.000 0.849 224 K CB 2.545 34.999 32.500 -0.076 0.000 1.411 224 K HN -0.216 nan 8.250 nan 0.000 0.432 225 S N 2.065 117.803 115.700 0.062 0.000 2.532 225 S HA 0.655 5.125 4.470 -0.000 0.000 0.299 225 S C -0.915 173.704 174.600 0.033 0.000 1.105 225 S CA -0.792 57.428 58.200 0.034 0.000 1.018 225 S CB 0.739 63.977 63.200 0.063 0.000 1.021 225 S HN 0.534 nan 8.310 nan 0.000 0.483 226 I N -0.536 120.033 120.570 -0.002 0.000 2.969 226 I HA 0.786 4.956 4.170 -0.000 0.000 0.307 226 I C -1.333 174.849 176.117 0.107 0.000 1.149 226 I CA -1.250 60.077 61.300 0.044 0.000 1.008 226 I CB 1.889 39.829 38.000 -0.101 0.000 1.232 226 I HN 0.265 nan 8.210 nan 0.000 0.435 227 V N 2.668 122.711 119.914 0.214 0.000 2.370 227 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 227 V C -0.914 175.347 176.094 0.279 0.000 1.029 227 V CA 0.062 62.507 62.300 0.242 0.000 0.870 227 V CB 0.931 32.895 31.823 0.235 0.000 0.984 227 V HN 0.761 nan 8.190 nan 0.000 0.451 228 D N 2.864 123.379 120.400 0.192 0.000 2.336 228 D HA 0.199 4.839 4.640 -0.000 0.000 0.248 228 D C 1.015 177.376 176.300 0.102 0.000 1.326 228 D CA -0.056 54.031 54.000 0.144 0.000 0.973 228 D CB 1.837 42.691 40.800 0.089 0.000 1.255 228 D HN 0.486 nan 8.370 nan 0.000 0.558 229 S N 1.171 116.918 115.700 0.077 0.000 2.507 229 S HA 0.003 4.472 4.470 -0.000 0.000 0.235 229 S C 1.837 176.459 174.600 0.037 0.000 0.988 229 S CA 0.699 58.923 58.200 0.040 0.000 0.944 229 S CB 0.068 63.250 63.200 -0.029 0.000 0.762 229 S HN 0.389 nan 8.310 nan 0.000 0.526 230 G N 0.460 109.271 108.800 0.018 0.000 2.813 230 G HA2 0.232 4.191 3.960 -0.000 0.000 0.209 230 G HA3 0.232 4.191 3.960 -0.000 0.000 0.209 230 G C 0.234 175.137 174.900 0.006 0.000 1.150 230 G CA 0.205 45.298 45.100 -0.012 0.000 0.785 230 G HN 0.501 nan 8.290 nan 0.000 0.535 231 T N -0.132 114.440 114.554 0.030 0.000 2.823 231 T HA 0.384 4.734 4.350 -0.000 0.000 0.279 231 T C 1.214 175.944 174.700 0.049 0.000 0.998 231 T CA -0.379 61.737 62.100 0.027 0.000 0.994 231 T CB 1.990 70.867 68.868 0.014 0.000 0.960 231 T HN -0.071 nan 8.240 nan 0.000 0.448 232 T N 2.586 117.167 114.554 0.044 0.000 2.812 232 T HA 0.022 4.372 4.350 -0.000 0.000 0.264 232 T C 0.898 175.625 174.700 0.046 0.000 1.042 232 T CA 0.994 63.129 62.100 0.059 0.000 1.140 232 T CB -0.103 68.794 68.868 0.047 0.000 0.870 232 T HN 0.469 nan 8.240 nan 0.000 0.445 233 N N 0.807 119.516 118.700 0.016 0.000 2.495 233 N HA 0.356 5.095 4.740 -0.000 0.000 0.280 233 N C -1.011 174.494 175.510 -0.009 0.000 1.168 233 N CA -0.554 52.489 53.050 -0.011 0.000 0.978 233 N CB 1.081 39.538 38.487 -0.049 0.000 1.191 233 N HN 0.142 nan 8.380 nan 0.000 0.497 234 L N 2.499 123.707 121.223 -0.026 0.000 2.385 234 L HA 0.201 4.541 4.340 -0.000 0.000 0.281 234 L C -0.337 176.503 176.870 -0.050 0.000 1.106 234 L CA 0.081 54.904 54.840 -0.028 0.000 0.856 234 L CB -0.118 41.918 42.059 -0.039 0.000 1.186 234 L HN 0.432 nan 8.230 nan 0.000 0.453 235 R N 5.863 126.339 120.500 -0.039 0.000 2.393 235 R HA 0.649 4.989 4.340 -0.000 0.000 0.310 235 R C -1.204 175.086 176.300 -0.018 0.000 0.968 235 R CA -0.680 55.386 56.100 -0.056 0.000 0.867 235 R CB 1.841 32.098 30.300 -0.072 0.000 1.124 235 R HN 0.581 nan 8.270 nan 0.000 0.450 236 L N 3.835 125.068 121.223 0.017 0.000 2.381 236 L HA 0.502 4.841 4.340 -0.000 0.000 0.268 236 L C -2.346 174.578 176.870 0.090 0.000 0.997 236 L CA -2.713 52.180 54.840 0.089 0.000 0.818 236 L CB 2.365 44.540 42.059 0.193 0.000 1.310 236 L HN 0.286 nan 8.230 nan 0.000 0.416 237 P HA -0.017 nan 4.420 nan 0.000 0.264 237 P C 0.362 177.753 177.300 0.151 0.000 1.183 237 P CA 0.022 63.173 63.100 0.086 0.000 0.763 237 P CB 0.670 32.437 31.700 0.110 0.000 0.807 238 K N 4.025 124.497 120.400 0.119 0.000 2.097 238 K HA -0.339 3.981 4.320 -0.000 0.000 0.223 238 K C 1.707 178.430 176.600 0.204 0.000 1.049 238 K CA 2.353 58.740 56.287 0.167 0.000 0.956 238 K CB -0.200 32.364 32.500 0.108 0.000 0.746 238 K HN 0.276 nan 8.250 nan 0.000 0.461 239 K N -0.222 120.267 120.400 0.147 0.000 2.097 239 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 239 K C 1.915 178.575 176.600 0.101 0.000 1.050 239 K CA 1.356 57.705 56.287 0.103 0.000 0.938 239 K CB 0.165 32.703 32.500 0.064 0.000 0.718 239 K HN 0.085 nan 8.250 nan 0.000 0.442 240 V N 0.858 120.858 119.914 0.142 0.000 2.379 240 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 240 V C 1.929 178.114 176.094 0.151 0.000 1.044 240 V CA 1.492 63.893 62.300 0.169 0.000 1.036 240 V CB -0.570 31.404 31.823 0.251 0.000 0.664 240 V HN 0.277 nan 8.190 nan 0.000 0.453 241 F N 2.325 122.312 119.950 0.061 0.000 2.075 241 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 241 F C 2.630 178.459 175.800 0.049 0.000 1.113 241 F CA 2.298 60.332 58.000 0.056 0.000 1.218 241 F CB -0.444 38.591 39.000 0.058 0.000 0.984 241 F HN 0.404 nan 8.300 nan 0.000 0.472 242 E N 0.570 120.743 120.200 -0.045 0.000 2.085 242 E HA -0.213 4.136 4.350 -0.000 0.000 0.194 242 E C 2.243 178.717 176.600 -0.210 0.000 0.994 242 E CA 1.266 57.564 56.400 -0.170 0.000 0.801 242 E CB -0.869 28.839 29.700 0.012 0.000 0.743 242 E HN 0.422 nan 8.360 nan 0.000 0.453 243 A N 1.988 124.744 122.820 -0.107 0.000 1.877 243 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 243 A C 2.572 180.078 177.584 -0.129 0.000 1.186 243 A CA 2.009 53.993 52.037 -0.088 0.000 0.620 243 A CB -0.919 18.071 19.000 -0.016 0.000 0.822 243 A HN 0.432 nan 8.150 nan 0.000 0.443 244 A N -0.406 122.332 122.820 -0.136 0.000 1.865 244 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 244 A C 2.253 179.698 177.584 -0.233 0.000 1.191 244 A CA 2.123 54.074 52.037 -0.144 0.000 0.623 244 A CB -1.141 17.802 19.000 -0.094 0.000 0.826 244 A HN 0.488 nan 8.150 nan 0.000 0.444 245 V N 0.409 120.066 119.914 -0.429 0.000 2.295 245 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 245 V C 2.499 178.291 176.094 -0.503 0.000 1.049 245 V CA 2.375 64.356 62.300 -0.531 0.000 1.024 245 V CB -0.856 30.495 31.823 -0.787 0.000 0.648 245 V HN 0.694 nan 8.190 nan 0.000 0.447 246 K N 0.259 120.429 120.400 -0.384 0.000 2.059 246 K HA -0.302 4.018 4.320 -0.000 0.000 0.212 246 K C 2.483 178.944 176.600 -0.233 0.000 1.050 246 K CA 2.213 58.330 56.287 -0.284 0.000 0.927 246 K CB -0.350 32.039 32.500 -0.185 0.000 0.714 246 K HN 0.459 nan 8.250 nan 0.000 0.447 247 S N 0.176 115.766 115.700 -0.183 0.000 2.371 247 S HA -0.048 4.421 4.470 -0.000 0.000 0.224 247 S C 1.973 176.508 174.600 -0.108 0.000 1.029 247 S CA 0.901 59.030 58.200 -0.119 0.000 0.978 247 S CB -0.226 62.927 63.200 -0.078 0.000 0.833 247 S HN 0.369 nan 8.310 nan 0.000 0.466 248 I N 1.452 121.943 120.570 -0.131 0.000 2.208 248 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 248 I C 2.689 178.734 176.117 -0.119 0.000 1.097 248 I CA 1.481 62.754 61.300 -0.044 0.000 1.363 248 I CB -0.341 37.665 38.000 0.011 0.000 1.051 248 I HN 0.359 nan 8.210 nan 0.000 0.413 249 K N 1.156 121.305 120.400 -0.418 0.000 2.032 249 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 249 K C 2.188 178.697 176.600 -0.151 0.000 1.048 249 K CA 1.671 57.683 56.287 -0.458 0.000 0.927 249 K CB -0.098 32.005 32.500 -0.662 0.000 0.712 249 K HN 0.316 nan 8.250 nan 0.000 0.441 250 A N 0.946 123.685 122.820 -0.135 0.000 1.872 250 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 250 A C 2.330 179.891 177.584 -0.039 0.000 1.187 250 A CA 1.622 53.614 52.037 -0.075 0.000 0.614 250 A CB -0.873 18.082 19.000 -0.074 0.000 0.826 250 A HN 0.452 nan 8.150 nan 0.000 0.442 251 A N 0.313 123.120 122.820 -0.021 0.000 1.997 251 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 251 A C 2.008 179.593 177.584 0.001 0.000 1.172 251 A CA 2.168 54.210 52.037 0.009 0.000 0.645 251 A CB -0.834 18.197 19.000 0.051 0.000 0.813 251 A HN 1.156 nan 8.150 nan 0.000 0.454 252 S N -1.401 114.304 115.700 0.008 0.000 2.506 252 S HA 0.366 4.836 4.470 -0.000 0.000 0.245 252 S C 0.876 175.459 174.600 -0.028 0.000 1.088 252 S CA 0.321 58.501 58.200 -0.033 0.000 1.099 252 S CB 0.392 63.616 63.200 0.041 0.000 0.805 252 S HN 0.274 nan 8.310 nan 0.000 0.461 253 S N 2.072 117.745 115.700 -0.046 0.000 2.383 253 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 253 S C 1.942 176.486 174.600 -0.092 0.000 1.026 253 S CA 1.552 59.715 58.200 -0.061 0.000 0.981 253 S CB -0.677 62.493 63.200 -0.050 0.000 0.818 253 S HN 0.778 nan 8.310 nan 0.000 0.472 254 T N 2.101 116.603 114.554 -0.087 0.000 2.668 254 T HA -0.199 4.151 4.350 -0.000 0.000 0.265 254 T C 0.653 175.282 174.700 -0.118 0.000 1.041 254 T CA 1.528 63.575 62.100 -0.088 0.000 1.160 254 T CB -0.272 68.548 68.868 -0.080 0.000 0.857 254 T HN 0.567 nan 8.240 nan 0.000 0.455 255 E N -0.218 119.872 120.200 -0.183 0.000 2.359 255 E HA 0.649 4.998 4.350 -0.000 0.000 0.266 255 E C -0.769 175.449 176.600 -0.635 0.000 0.920 255 E CA -0.981 55.224 56.400 -0.324 0.000 0.788 255 E CB 1.739 31.307 29.700 -0.220 0.000 1.279 255 E HN -0.097 nan 8.360 nan 0.000 0.438 256 K N 1.065 121.006 120.400 -0.764 0.000 2.259 256 K HA 0.609 4.928 4.320 -0.000 0.000 0.249 256 K C -1.867 174.177 176.600 -0.926 0.000 0.942 256 K CA -0.390 55.501 56.287 -0.659 0.000 0.816 256 K CB 0.780 33.117 32.500 -0.271 0.000 1.155 256 K HN 0.408 nan 8.250 nan 0.000 0.428 257 F N 1.995 121.986 119.950 0.069 0.000 2.613 257 F HA 0.458 4.985 4.527 -0.000 0.000 0.310 257 F C -1.971 173.869 175.800 0.067 0.000 1.085 257 F CA -2.194 55.766 58.000 -0.067 0.000 0.945 257 F CB 1.427 40.227 39.000 -0.333 0.000 1.298 257 F HN 0.406 nan 8.300 nan 0.000 0.455 258 P HA 0.135 nan 4.420 nan 0.000 0.269 258 P C -0.002 177.484 177.300 0.310 0.000 1.215 258 P CA -0.087 63.133 63.100 0.200 0.000 0.780 258 P CB 0.758 32.531 31.700 0.122 0.000 0.898 259 D N 1.446 122.041 120.400 0.325 0.000 2.218 259 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 259 D C 2.109 178.615 176.300 0.344 0.000 0.976 259 D CA 1.669 55.918 54.000 0.416 0.000 0.853 259 D CB -0.694 40.266 40.800 0.267 0.000 0.939 259 D HN 0.573 nan 8.370 nan 0.000 0.481 260 G N 0.533 109.473 108.800 0.232 0.000 2.418 260 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 260 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 260 G C 1.448 176.452 174.900 0.174 0.000 1.158 260 G CA 0.509 45.717 45.100 0.181 0.000 0.771 260 G HN 0.262 nan 8.290 nan 0.000 0.545 261 F N 0.924 120.860 119.950 -0.023 0.000 2.063 261 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 261 F C 2.278 178.019 175.800 -0.098 0.000 1.109 261 F CA 1.688 59.588 58.000 -0.165 0.000 1.212 261 F CB -0.602 38.132 39.000 -0.443 0.000 0.973 261 F HN 0.268 nan 8.300 nan 0.000 0.480 262 W N -0.165 121.013 121.300 -0.202 0.000 2.468 262 W HA -0.050 4.610 4.660 -0.000 0.000 0.262 262 W C 1.364 177.990 176.519 0.178 0.000 1.241 262 W CA -0.038 57.150 57.345 -0.263 0.000 1.232 262 W CB -0.492 28.909 29.460 -0.099 0.000 1.124 262 W HN 0.001 nan 8.180 nan 0.000 0.597 263 L N 0.419 121.826 121.223 0.306 0.000 2.653 263 L HA 0.352 4.692 4.340 -0.000 0.000 0.231 263 L C 1.746 178.691 176.870 0.126 0.000 1.153 263 L CA 0.536 55.521 54.840 0.242 0.000 0.933 263 L CB -0.620 41.561 42.059 0.203 0.000 1.175 263 L HN 0.118 nan 8.230 nan 0.000 0.473 264 G N 0.064 108.921 108.800 0.095 0.000 2.341 264 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.292 264 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.292 264 G C 0.923 175.863 174.900 0.068 0.000 1.021 264 G CA 0.811 45.948 45.100 0.061 0.000 0.905 264 G HN 0.534 nan 8.290 nan 0.000 0.508 265 E N -1.116 119.134 120.200 0.084 0.000 2.452 265 E HA 0.128 4.478 4.350 -0.000 0.000 0.197 265 E C 1.140 177.790 176.600 0.083 0.000 1.022 265 E CA 0.342 56.790 56.400 0.079 0.000 0.890 265 E CB 0.420 30.171 29.700 0.085 0.000 0.918 265 E HN 0.677 nan 8.360 nan 0.000 0.496 266 Q N 0.315 120.181 119.800 0.109 0.000 2.511 266 Q HA 0.404 4.744 4.340 -0.000 0.000 0.289 266 Q C -1.462 174.639 176.000 0.169 0.000 1.021 266 Q CA -0.918 54.951 55.803 0.110 0.000 0.785 266 Q CB 2.248 31.047 28.738 0.102 0.000 1.472 266 Q HN -0.043 nan 8.270 nan 0.000 0.411 267 L N -1.436 119.854 121.223 0.112 0.000 2.313 267 L HA 0.878 5.218 4.340 -0.000 0.000 0.268 267 L C -0.500 176.343 176.870 -0.045 0.000 1.010 267 L CA -0.934 53.981 54.840 0.125 0.000 0.814 267 L CB 0.682 42.789 42.059 0.079 0.000 1.304 267 L HN 0.355 nan 8.230 nan 0.000 0.441 268 V N -0.211 119.595 119.914 -0.181 0.000 2.715 268 V HA 0.785 4.905 4.120 -0.000 0.000 0.310 268 V C -0.915 174.938 176.094 -0.402 0.000 1.054 268 V CA -0.268 61.710 62.300 -0.536 0.000 0.928 268 V CB 1.772 32.871 31.823 -1.205 0.000 1.007 268 V HN 1.047 nan 8.190 nan 0.000 0.437 269 c N 5.203 123.464 118.600 -0.565 0.000 2.712 269 c HA 0.736 5.305 4.570 -0.000 0.000 0.308 269 c C -0.807 172.973 174.090 -0.516 0.000 1.201 269 c CA -1.011 55.126 56.329 -0.320 0.000 1.554 269 c CB 1.440 43.843 42.510 -0.177 0.000 2.117 269 c HN 0.934 nan 8.230 nan 0.000 0.480 270 W N 0.363 121.650 121.300 -0.022 0.000 2.992 270 W HA 0.415 5.074 4.660 -0.001 0.000 0.342 270 W C -0.496 176.007 176.519 -0.026 0.000 1.176 270 W CA -0.543 56.788 57.345 -0.023 0.000 1.118 270 W CB 1.032 30.470 29.460 -0.035 0.000 1.457 270 W HN 0.634 nan 8.180 nan 0.000 0.573 271 Q N 0.843 120.776 119.800 0.222 0.000 2.421 271 Q HA 0.336 4.675 4.340 -0.000 0.000 0.255 271 Q C 0.280 176.345 176.000 0.108 0.000 1.013 271 Q CA -0.149 55.725 55.803 0.117 0.000 0.895 271 Q CB 0.704 29.491 28.738 0.082 0.000 1.271 271 Q HN 0.383 nan 8.270 nan 0.000 0.460 272 A N 1.334 124.192 122.820 0.064 0.000 2.566 272 A HA 0.335 4.655 4.320 -0.000 0.000 0.245 272 A C 1.228 178.836 177.584 0.040 0.000 1.056 272 A CA 0.701 52.767 52.037 0.048 0.000 0.757 272 A CB -0.821 18.196 19.000 0.030 0.000 0.979 272 A HN 1.027 nan 8.150 nan 0.000 0.508 273 G N 1.782 110.604 108.800 0.037 0.000 2.162 273 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 273 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 273 G C 0.736 175.619 174.900 -0.028 0.000 0.976 273 G CA 1.393 46.505 45.100 0.020 0.000 0.655 273 G HN 2.215 nan 8.290 nan 0.000 0.533 274 T N -2.035 112.490 114.554 -0.049 0.000 3.182 274 T HA 0.441 4.791 4.350 -0.000 0.000 0.277 274 T C 0.697 175.206 174.700 -0.318 0.000 1.013 274 T CA 0.843 62.887 62.100 -0.093 0.000 0.900 274 T CB 0.368 69.251 68.868 0.026 0.000 1.098 274 T HN 0.385 nan 8.240 nan 0.000 0.543 275 T N 5.696 119.926 114.554 -0.541 0.000 2.799 275 T HA 0.314 4.663 4.350 -0.000 0.000 0.296 275 T C -2.441 171.546 174.700 -1.189 0.000 0.947 275 T CA -0.878 60.493 62.100 -1.216 0.000 1.141 275 T CB 0.895 68.926 68.868 -1.394 0.000 0.891 275 T HN 0.217 nan 8.240 nan 0.000 0.533 276 P HA 0.176 nan 4.420 nan 0.000 0.241 276 P C 0.081 177.188 177.300 -0.321 0.000 1.780 276 P CA -0.562 62.219 63.100 -0.531 0.000 1.111 276 P CB 0.013 31.527 31.700 -0.308 0.000 1.852 277 W N 1.799 123.001 121.300 -0.165 0.000 2.342 277 W HA -0.179 4.481 4.660 -0.001 0.000 0.297 277 W C 1.770 178.317 176.519 0.047 0.000 1.213 277 W CA 0.404 57.706 57.345 -0.071 0.000 1.251 277 W CB -0.781 28.605 29.460 -0.123 0.000 1.136 277 W HN 0.240 nan 8.180 nan 0.000 0.526 278 N N 0.039 118.834 118.700 0.158 0.000 2.457 278 N HA -0.079 4.661 4.740 -0.000 0.000 0.180 278 N C 1.386 176.921 175.510 0.043 0.000 1.050 278 N CA 0.883 53.973 53.050 0.065 0.000 0.906 278 N CB -0.341 38.085 38.487 -0.102 0.000 0.968 278 N HN 0.133 nan 8.380 nan 0.000 0.445 279 I N 0.160 120.723 120.570 -0.011 0.000 2.830 279 I HA -0.024 4.145 4.170 -0.000 0.000 0.263 279 I C 0.289 176.286 176.117 -0.200 0.000 1.230 279 I CA 0.381 61.595 61.300 -0.143 0.000 1.480 279 I CB -1.003 36.837 38.000 -0.267 0.000 1.095 279 I HN -0.121 nan 8.210 nan 0.000 0.455 280 F N 3.281 123.345 119.950 0.189 0.000 2.404 280 F HA 0.389 4.916 4.527 -0.000 0.000 0.339 280 F C -1.811 174.154 175.800 0.274 0.000 1.105 280 F CA -2.315 55.862 58.000 0.295 0.000 1.087 280 F CB 0.698 39.900 39.000 0.336 0.000 1.143 280 F HN -0.152 nan 8.300 nan 0.000 0.491 281 P HA 0.219 nan 4.420 nan 0.000 0.278 281 P C -0.713 176.807 177.300 0.366 0.000 1.258 281 P CA -0.362 62.927 63.100 0.316 0.000 0.811 281 P CB 1.548 33.380 31.700 0.220 0.000 1.063 282 V N -0.377 119.680 119.914 0.239 0.000 3.051 282 V HA 0.366 4.486 4.120 -0.000 0.000 0.306 282 V C 0.232 176.419 176.094 0.154 0.000 1.083 282 V CA -0.233 62.195 62.300 0.213 0.000 1.104 282 V CB -0.167 31.734 31.823 0.131 0.000 1.027 282 V HN 0.291 nan 8.190 nan 0.000 0.483 283 I N 2.320 122.965 120.570 0.124 0.000 2.465 283 I HA 0.477 4.647 4.170 -0.000 0.000 0.291 283 I C -0.133 175.978 176.117 -0.010 0.000 1.014 283 I CA -0.211 61.102 61.300 0.021 0.000 1.093 283 I CB 2.017 39.989 38.000 -0.047 0.000 1.267 283 I HN 0.701 nan 8.210 nan 0.000 0.431 284 S N 6.724 122.388 115.700 -0.060 0.000 2.502 284 S HA 0.652 5.122 4.470 -0.000 0.000 0.304 284 S C -0.540 173.962 174.600 -0.164 0.000 1.097 284 S CA -0.582 57.540 58.200 -0.131 0.000 1.045 284 S CB 1.503 64.620 63.200 -0.138 0.000 1.019 284 S HN 0.344 nan 8.310 nan 0.000 0.481 285 L N 3.615 124.681 121.223 -0.263 0.000 2.333 285 L HA 0.527 4.867 4.340 -0.000 0.000 0.280 285 L C -1.365 175.271 176.870 -0.389 0.000 1.004 285 L CA -0.819 53.849 54.840 -0.287 0.000 0.820 285 L CB 0.958 42.827 42.059 -0.317 0.000 1.247 285 L HN 0.596 nan 8.230 nan 0.000 0.416 286 Y N 3.699 123.721 120.300 -0.462 0.000 2.320 286 Y HA 0.512 5.062 4.550 -0.000 0.000 0.334 286 Y C 0.076 175.665 175.900 -0.518 0.000 1.055 286 Y CA -0.467 57.327 58.100 -0.510 0.000 1.143 286 Y CB 1.204 39.417 38.460 -0.412 0.000 1.193 286 Y HN 0.339 nan 8.280 nan 0.000 0.477 287 L N 4.168 125.011 121.223 -0.634 0.000 2.334 287 L HA 0.475 4.815 4.340 -0.000 0.000 0.273 287 L C 0.140 176.794 176.870 -0.360 0.000 1.013 287 L CA -1.083 53.405 54.840 -0.585 0.000 0.816 287 L CB 1.664 43.144 42.059 -0.965 0.000 1.278 287 L HN 0.621 nan 8.230 nan 0.000 0.431 288 M N 1.751 121.291 119.600 -0.100 0.000 2.261 288 M HA 0.132 4.611 4.480 -0.000 0.000 0.350 288 M C 0.518 176.934 176.300 0.193 0.000 1.343 288 M CA 0.410 55.742 55.300 0.053 0.000 1.003 288 M CB 0.533 33.181 32.600 0.081 0.000 1.848 288 M HN 0.729 nan 8.290 nan 0.000 0.456 289 G N 3.557 112.518 108.800 0.268 0.000 2.525 289 G HA2 0.215 4.175 3.960 -0.000 0.000 0.287 289 G HA3 0.215 4.175 3.960 -0.000 0.000 0.287 289 G C -0.007 175.066 174.900 0.289 0.000 1.350 289 G CA -0.451 44.898 45.100 0.415 0.000 1.039 289 G HN 0.893 nan 8.290 nan 0.000 0.513 290 E N -1.658 118.699 120.200 0.263 0.000 2.435 290 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 290 E C 0.080 176.751 176.600 0.119 0.000 1.029 290 E CA 0.166 56.662 56.400 0.160 0.000 0.865 290 E CB 0.459 30.223 29.700 0.107 0.000 0.833 290 E HN 0.051 nan 8.360 nan 0.000 0.510 291 V N 1.423 121.420 119.914 0.138 0.000 2.680 291 V HA 0.104 4.224 4.120 -0.000 0.000 0.309 291 V C 0.158 176.314 176.094 0.103 0.000 1.052 291 V CA -0.931 61.431 62.300 0.104 0.000 0.908 291 V CB 1.942 33.825 31.823 0.099 0.000 1.001 291 V HN 0.007 nan 8.190 nan 0.000 0.431 292 T N 5.119 119.719 114.554 0.077 0.000 2.765 292 T HA -0.028 4.322 4.350 -0.000 0.000 0.275 292 T C 0.920 175.665 174.700 0.075 0.000 1.007 292 T CA 0.938 63.078 62.100 0.067 0.000 1.175 292 T CB -0.454 68.444 68.868 0.049 0.000 0.993 292 T HN 0.857 nan 8.240 nan 0.000 0.510 293 N N 0.511 119.256 118.700 0.076 0.000 2.878 293 N HA -0.149 4.591 4.740 -0.000 0.000 0.247 293 N C -0.133 175.439 175.510 0.104 0.000 1.021 293 N CA 0.962 54.058 53.050 0.077 0.000 0.873 293 N CB -0.545 37.978 38.487 0.060 0.000 1.128 293 N HN 0.777 nan 8.380 nan 0.000 0.571 294 Q N 1.107 120.987 119.800 0.133 0.000 2.322 294 Q HA 0.551 4.891 4.340 -0.000 0.000 0.265 294 Q C -0.380 175.757 176.000 0.228 0.000 0.985 294 Q CA -0.166 55.746 55.803 0.182 0.000 0.849 294 Q CB 1.515 30.371 28.738 0.196 0.000 1.274 294 Q HN 0.328 nan 8.270 nan 0.000 0.449 295 S N 2.882 118.740 115.700 0.265 0.000 2.745 295 S HA 0.878 5.348 4.470 -0.000 0.000 0.306 295 S C -0.582 174.236 174.600 0.364 0.000 1.137 295 S CA -0.629 57.734 58.200 0.272 0.000 0.900 295 S CB 1.265 64.574 63.200 0.182 0.000 1.176 295 S HN 0.533 nan 8.310 nan 0.000 0.520 296 F N -1.366 118.608 119.950 0.040 0.000 2.675 296 F HA 0.910 5.437 4.527 -0.000 0.000 0.324 296 F C -0.722 174.860 175.800 -0.363 0.000 1.106 296 F CA -1.353 56.537 58.000 -0.184 0.000 0.970 296 F CB 1.128 39.816 39.000 -0.521 0.000 1.385 296 F HN 0.947 nan 8.300 nan 0.000 0.489 297 R N 1.616 121.818 120.500 -0.495 0.000 2.795 297 R HA 0.838 5.178 4.340 -0.000 0.000 0.275 297 R C -1.454 174.537 176.300 -0.515 0.000 0.981 297 R CA -0.991 54.600 56.100 -0.847 0.000 0.917 297 R CB 2.426 31.790 30.300 -1.561 0.000 1.202 297 R HN 0.977 nan 8.270 nan 0.000 0.469 298 I N -0.774 119.451 120.570 -0.574 0.000 2.441 298 I HA 0.578 4.747 4.170 -0.000 0.000 0.295 298 I C -1.092 174.901 176.117 -0.206 0.000 0.994 298 I CA -0.676 60.355 61.300 -0.448 0.000 1.144 298 I CB 2.486 39.919 38.000 -0.944 0.000 1.314 298 I HN 0.566 nan 8.210 nan 0.000 0.445 299 T N 7.461 122.042 114.554 0.044 0.000 2.812 299 T HA 0.597 4.946 4.350 -0.000 0.000 0.282 299 T C -0.081 174.718 174.700 0.165 0.000 0.990 299 T CA -0.451 61.684 62.100 0.057 0.000 0.960 299 T CB 1.439 70.306 68.868 -0.002 0.000 0.948 299 T HN 0.653 nan 8.240 nan 0.000 0.438 300 I N 0.738 121.394 120.570 0.143 0.000 2.863 300 I HA 0.726 4.896 4.170 -0.000 0.000 0.311 300 I C -0.842 175.364 176.117 0.149 0.000 1.026 300 I CA -1.368 60.005 61.300 0.122 0.000 1.077 300 I CB 1.202 39.302 38.000 0.167 0.000 1.262 300 I HN 0.413 nan 8.210 nan 0.000 0.461 301 L N 2.426 123.696 121.223 0.079 0.000 2.365 301 L HA 0.508 4.848 4.340 -0.000 0.000 0.267 301 L C -1.549 175.225 176.870 -0.160 0.000 1.033 301 L CA -1.712 53.139 54.840 0.018 0.000 0.802 301 L CB 1.282 43.282 42.059 -0.098 0.000 1.267 301 L HN 0.442 nan 8.230 nan 0.000 0.457 302 P HA -0.147 nan 4.420 nan 0.000 0.221 302 P C 0.867 177.680 177.300 -0.812 0.000 1.150 302 P CA 1.024 63.433 63.100 -1.152 0.000 0.800 302 P CB 0.100 31.517 31.700 -0.471 0.000 0.787 303 Q N 0.212 119.513 119.800 -0.832 0.000 2.234 303 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 303 Q C 1.897 177.682 176.000 -0.358 0.000 0.980 303 Q CA 1.465 56.761 55.803 -0.845 0.000 0.869 303 Q CB -1.081 27.106 28.738 -0.919 0.000 0.912 303 Q HN 0.320 nan 8.270 nan 0.000 0.436 304 Q N 0.257 119.900 119.800 -0.261 0.000 2.096 304 Q HA -0.079 4.261 4.340 -0.000 0.000 0.197 304 Q C 1.661 177.664 176.000 0.006 0.000 0.964 304 Q CA 1.593 57.352 55.803 -0.073 0.000 0.838 304 Q CB -0.178 28.565 28.738 0.007 0.000 0.906 304 Q HN 0.759 nan 8.270 nan 0.000 0.444 305 Y N -2.400 117.889 120.300 -0.020 0.000 2.478 305 Y HA 0.341 4.891 4.550 -0.000 0.000 0.261 305 Y C -0.110 175.794 175.900 0.007 0.000 1.127 305 Y CA -0.448 57.632 58.100 -0.033 0.000 1.288 305 Y CB 0.407 38.834 38.460 -0.055 0.000 1.084 305 Y HN -0.158 nan 8.280 nan 0.000 0.530 306 L N 4.913 126.046 121.223 -0.149 0.000 2.288 306 L HA 0.373 4.713 4.340 -0.000 0.000 0.283 306 L C -0.064 176.924 176.870 0.196 0.000 1.072 306 L CA -0.747 54.102 54.840 0.013 0.000 0.862 306 L CB 0.237 42.146 42.059 -0.250 0.000 1.245 306 L HN 0.434 nan 8.230 nan 0.000 0.432 307 R N 3.979 124.652 120.500 0.288 0.000 2.346 307 R HA 0.653 4.993 4.340 -0.000 0.000 0.311 307 R C -2.645 173.870 176.300 0.357 0.000 0.983 307 R CA -1.644 54.634 56.100 0.297 0.000 0.880 307 R CB 1.056 31.450 30.300 0.158 0.000 1.100 307 R HN 0.232 nan 8.270 nan 0.000 0.453 308 P HA 0.025 nan 4.420 nan 0.000 0.276 308 P C -0.615 176.648 177.300 -0.063 0.000 1.243 308 P CA -0.365 62.671 63.100 -0.107 0.000 0.768 308 P CB 1.312 32.911 31.700 -0.168 0.000 0.856 309 V N 4.629 124.486 119.914 -0.095 0.000 2.239 309 V HA 0.077 4.197 4.120 -0.000 0.000 0.267 309 V C 1.571 177.615 176.094 -0.082 0.000 1.056 309 V CA -0.030 62.242 62.300 -0.047 0.000 0.830 309 V CB 0.621 32.445 31.823 0.002 0.000 1.090 309 V HN 0.619 nan 8.190 nan 0.000 0.459 310 E N 2.794 122.946 120.200 -0.080 0.000 2.299 310 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 310 E C 1.505 178.078 176.600 -0.044 0.000 0.998 310 E CA 0.940 57.298 56.400 -0.070 0.000 0.851 310 E CB 0.285 29.946 29.700 -0.064 0.000 0.795 310 E HN 0.756 nan 8.360 nan 0.000 0.492 311 D N 0.995 121.375 120.400 -0.035 0.000 2.244 311 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 311 D C 0.728 177.014 176.300 -0.023 0.000 1.006 311 D CA 1.514 55.499 54.000 -0.026 0.000 0.888 311 D CB -0.426 40.363 40.800 -0.019 0.000 0.912 311 D HN 0.136 nan 8.370 nan 0.000 0.452 312 V N -1.303 118.596 119.914 -0.024 0.000 2.536 312 V HA 0.119 4.238 4.120 -0.000 0.000 0.287 312 V C 1.495 177.576 176.094 -0.021 0.000 0.979 312 V CA 0.163 62.450 62.300 -0.021 0.000 1.161 312 V CB -0.473 31.335 31.823 -0.025 0.000 0.915 312 V HN 0.191 nan 8.190 nan 0.000 0.467 313 A N 3.965 126.775 122.820 -0.018 0.000 2.014 313 A HA 0.004 4.323 4.320 -0.000 0.000 0.218 313 A C 1.914 179.489 177.584 -0.015 0.000 1.163 313 A CA 1.441 53.468 52.037 -0.017 0.000 0.652 313 A CB -0.475 18.516 19.000 -0.015 0.000 0.808 313 A HN 1.304 nan 8.150 nan 0.000 0.449 314 T N -2.795 111.750 114.554 -0.015 0.000 3.287 314 T HA 0.481 4.831 4.350 -0.000 0.000 0.253 314 T C 0.092 174.781 174.700 -0.019 0.000 0.975 314 T CA 0.365 62.457 62.100 -0.015 0.000 0.912 314 T CB -0.339 68.522 68.868 -0.012 0.000 1.071 314 T HN 0.284 nan 8.240 nan 0.000 0.578 315 S N 0.245 115.932 115.700 -0.021 0.000 2.587 315 S HA 0.458 4.928 4.470 -0.000 0.000 0.269 315 S C -1.941 172.644 174.600 -0.025 0.000 1.154 315 S CA -0.698 57.486 58.200 -0.025 0.000 0.824 315 S CB 1.959 65.140 63.200 -0.032 0.000 1.118 315 S HN 0.340 nan 8.310 nan 0.000 0.462 316 Q N 2.162 121.948 119.800 -0.024 0.000 3.316 316 Q HA 0.340 4.679 4.340 -0.000 0.000 0.295 316 Q C -1.719 174.269 176.000 -0.019 0.000 0.805 316 Q CA -0.219 55.571 55.803 -0.022 0.000 0.914 316 Q CB 0.269 28.997 28.738 -0.016 0.000 1.514 316 Q HN 0.696 nan 8.270 nan 0.000 0.387 317 D N -0.560 119.825 120.400 -0.025 0.000 2.768 317 D HA 0.188 4.828 4.640 -0.000 0.000 0.327 317 D C -1.406 174.875 176.300 -0.031 0.000 1.302 317 D CA -0.378 53.613 54.000 -0.014 0.000 0.897 317 D CB 1.360 42.160 40.800 0.001 0.000 1.420 317 D HN 0.063 nan 8.370 nan 0.000 0.494 318 D N 0.471 120.871 120.400 0.000 0.000 2.398 318 D HA 0.216 4.856 4.640 -0.000 0.000 0.250 318 D C -0.440 175.852 176.300 -0.014 0.000 1.287 318 D CA 0.265 54.239 54.000 -0.043 0.000 0.992 318 D CB -0.446 40.400 40.800 0.076 0.000 1.071 318 D HN 0.141 nan 8.370 nan 0.000 0.514 319 c N 2.708 121.220 118.600 -0.146 0.000 2.376 319 c HA 0.566 5.136 4.570 -0.000 0.000 0.335 319 c C -0.132 173.845 174.090 -0.188 0.000 1.229 319 c CA -0.834 55.455 56.329 -0.068 0.000 1.867 319 c CB -0.153 42.324 42.510 -0.055 0.000 2.319 319 c HN 0.472 nan 8.230 nan 0.000 0.515 320 Y N 0.299 120.669 120.300 0.116 0.000 2.570 320 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 320 Y C 0.155 176.161 175.900 0.176 0.000 1.014 320 Y CA -0.814 57.375 58.100 0.147 0.000 1.063 320 Y CB 1.345 39.914 38.460 0.183 0.000 1.272 320 Y HN 0.538 nan 8.280 nan 0.000 0.477 321 K N 1.494 122.106 120.400 0.353 0.000 2.203 321 K HA 0.397 4.717 4.320 -0.000 0.000 0.251 321 K C -1.486 175.305 176.600 0.319 0.000 0.944 321 K CA -0.718 55.750 56.287 0.301 0.000 0.829 321 K CB 1.057 33.660 32.500 0.172 0.000 1.125 321 K HN 0.691 nan 8.250 nan 0.000 0.430 322 F N 2.599 122.545 119.950 -0.006 0.000 2.471 322 F HA 0.230 4.757 4.527 -0.001 0.000 0.365 322 F C 0.451 176.254 175.800 0.005 0.000 1.095 322 F CA -0.176 57.742 58.000 -0.135 0.000 1.174 322 F CB 0.847 39.430 39.000 -0.695 0.000 1.105 322 F HN 0.663 nan 8.300 nan 0.000 0.535 323 A N 7.818 130.482 122.820 -0.260 0.000 2.507 323 A HA 0.363 4.683 4.320 -0.000 0.000 0.270 323 A C 0.099 177.483 177.584 -0.332 0.000 1.318 323 A CA -0.213 51.713 52.037 -0.185 0.000 0.924 323 A CB -0.668 18.322 19.000 -0.016 0.000 1.061 323 A HN 0.646 nan 8.150 nan 0.000 0.516 324 I N 1.096 121.220 120.570 -0.743 0.000 2.474 324 I HA 0.451 4.621 4.170 -0.000 0.000 0.294 324 I C -0.131 175.862 176.117 -0.207 0.000 1.005 324 I CA -0.441 60.582 61.300 -0.462 0.000 1.113 324 I CB 2.224 39.907 38.000 -0.527 0.000 1.289 324 I HN 0.267 nan 8.210 nan 0.000 0.436 325 S N 3.837 119.417 115.700 -0.200 0.000 2.607 325 S HA 0.502 4.972 4.470 -0.000 0.000 0.273 325 S C -0.976 173.260 174.600 -0.607 0.000 1.148 325 S CA -1.133 56.781 58.200 -0.477 0.000 0.833 325 S CB 1.744 64.781 63.200 -0.273 0.000 1.130 325 S HN 0.582 nan 8.310 nan 0.000 0.470 326 Q N 0.768 120.037 119.800 -0.886 0.000 2.492 326 Q HA 0.600 4.940 4.340 -0.000 0.000 0.238 326 Q C -0.157 175.706 176.000 -0.229 0.000 1.045 326 Q CA -0.196 55.314 55.803 -0.489 0.000 0.934 326 Q CB 0.873 29.384 28.738 -0.378 0.000 1.276 326 Q HN 0.779 nan 8.270 nan 0.000 0.521 327 S N -0.933 114.691 115.700 -0.126 0.000 2.550 327 S HA 0.335 4.805 4.470 -0.000 0.000 0.270 327 S C -0.495 174.048 174.600 -0.094 0.000 1.145 327 S CA -0.686 57.451 58.200 -0.104 0.000 0.852 327 S CB 1.600 64.741 63.200 -0.099 0.000 1.119 327 S HN 0.508 nan 8.310 nan 0.000 0.465 328 S N 1.459 117.099 115.700 -0.101 0.000 2.524 328 S HA 0.090 4.559 4.470 -0.000 0.000 0.215 328 S C 1.342 175.836 174.600 -0.176 0.000 0.986 328 S CA 0.470 58.596 58.200 -0.124 0.000 0.911 328 S CB 0.155 63.306 63.200 -0.082 0.000 0.805 328 S HN 0.961 nan 8.310 nan 0.000 0.501 329 T N -1.129 113.329 114.554 -0.160 0.000 3.054 329 T HA 0.579 4.928 4.350 -0.000 0.000 0.255 329 T C 0.928 175.500 174.700 -0.214 0.000 1.035 329 T CA 0.306 62.297 62.100 -0.182 0.000 0.941 329 T CB 0.382 69.154 68.868 -0.159 0.000 1.026 329 T HN 0.635 nan 8.240 nan 0.000 0.533 330 G N 0.914 109.600 108.800 -0.189 0.000 2.409 330 G HA2 0.063 4.023 3.960 -0.000 0.000 0.421 330 G HA3 0.063 4.023 3.960 -0.000 0.000 0.421 330 G C -0.613 174.235 174.900 -0.087 0.000 1.259 330 G CA -0.603 44.410 45.100 -0.145 0.000 1.011 330 G HN 0.388 nan 8.290 nan 0.000 0.497 331 T N 0.238 114.768 114.554 -0.041 0.000 2.901 331 T HA 0.493 4.843 4.350 -0.000 0.000 0.301 331 T C 0.277 174.948 174.700 -0.049 0.000 1.012 331 T CA 0.168 62.255 62.100 -0.022 0.000 1.135 331 T CB 1.318 70.192 68.868 0.010 0.000 0.936 331 T HN 1.169 nan 8.240 nan 0.000 0.539 332 V N 4.831 124.721 119.914 -0.040 0.000 2.443 332 V HA 0.338 4.458 4.120 -0.000 0.000 0.293 332 V C -0.066 176.030 176.094 0.004 0.000 1.021 332 V CA -0.761 61.520 62.300 -0.032 0.000 0.848 332 V CB 1.393 33.188 31.823 -0.048 0.000 0.998 332 V HN 0.894 nan 8.190 nan 0.000 0.424 333 M N 4.567 124.189 119.600 0.036 0.000 2.435 333 M HA 0.453 4.933 4.480 -0.000 0.000 0.344 333 M C 0.874 177.231 176.300 0.096 0.000 1.329 333 M CA 0.119 55.460 55.300 0.068 0.000 1.320 333 M CB 0.685 33.340 32.600 0.093 0.000 1.309 333 M HN 0.802 nan 8.290 nan 0.000 0.451 334 G N 0.933 109.779 108.800 0.076 0.000 2.606 334 G HA2 0.554 4.514 3.960 -0.000 0.000 0.262 334 G HA3 0.554 4.514 3.960 -0.000 0.000 0.262 334 G C 0.836 175.797 174.900 0.103 0.000 1.394 334 G CA -0.114 45.035 45.100 0.081 0.000 1.044 334 G HN 0.679 nan 8.290 nan 0.000 0.553 335 A N -1.359 121.524 122.820 0.106 0.000 2.076 335 A HA -0.002 4.317 4.320 -0.000 0.000 0.220 335 A C 2.472 180.126 177.584 0.116 0.000 1.160 335 A CA 1.894 54.007 52.037 0.127 0.000 0.653 335 A CB -0.613 18.504 19.000 0.195 0.000 0.801 335 A HN 0.462 nan 8.150 nan 0.000 0.455 336 V N 0.226 120.199 119.914 0.100 0.000 2.287 336 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 336 V C 2.416 178.581 176.094 0.117 0.000 1.053 336 V CA 1.928 64.286 62.300 0.096 0.000 1.027 336 V CB -0.534 31.337 31.823 0.079 0.000 0.646 336 V HN 0.540 nan 8.190 nan 0.000 0.447 337 I N -0.759 119.900 120.570 0.149 0.000 2.235 337 I HA -0.161 4.009 4.170 -0.000 0.000 0.241 337 I C 2.428 178.739 176.117 0.324 0.000 1.085 337 I CA 1.767 63.217 61.300 0.250 0.000 1.378 337 I CB -0.953 37.180 38.000 0.220 0.000 1.076 337 I HN 0.287 nan 8.210 nan 0.000 0.415 338 M N 0.076 119.823 119.600 0.244 0.000 2.279 338 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 338 M C 1.822 178.192 176.300 0.117 0.000 1.062 338 M CA 1.512 56.946 55.300 0.224 0.000 1.099 338 M CB -0.519 32.153 32.600 0.120 0.000 1.394 338 M HN 0.227 nan 8.290 nan 0.000 0.426 339 E N -0.025 120.208 120.200 0.055 0.000 2.409 339 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 339 E C 1.995 178.538 176.600 -0.095 0.000 1.024 339 E CA 0.651 57.054 56.400 0.005 0.000 0.861 339 E CB -0.146 29.585 29.700 0.052 0.000 0.788 339 E HN 0.614 nan 8.360 nan 0.000 0.521 340 G N 0.184 108.789 108.800 -0.325 0.000 2.572 340 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.216 340 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.216 340 G C 0.160 174.378 174.900 -1.136 0.000 1.133 340 G CA 0.177 44.725 45.100 -0.921 0.000 0.791 340 G HN -0.000 nan 8.290 nan 0.000 0.538 341 F N -2.271 117.702 119.950 0.038 0.000 2.588 341 F HA 0.474 5.001 4.527 -0.000 0.000 0.314 341 F C -0.842 175.012 175.800 0.090 0.000 1.069 341 F CA -2.154 55.885 58.000 0.066 0.000 0.931 341 F CB 1.255 40.349 39.000 0.156 0.000 1.260 341 F HN -0.088 nan 8.300 nan 0.000 0.465 342 Y N 2.304 122.672 120.300 0.113 0.000 2.336 342 Y HA 0.606 5.156 4.550 -0.000 0.000 0.335 342 Y C -0.830 174.950 175.900 -0.200 0.000 1.046 342 Y CA -1.230 56.849 58.100 -0.035 0.000 1.198 342 Y CB 0.671 39.110 38.460 -0.034 0.000 1.182 342 Y HN 0.305 nan 8.280 nan 0.000 0.502 343 V N 7.330 126.926 119.914 -0.531 0.000 2.409 343 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 343 V C -0.762 174.775 176.094 -0.929 0.000 1.020 343 V CA -1.019 60.790 62.300 -0.819 0.000 0.848 343 V CB 1.449 32.855 31.823 -0.694 0.000 0.990 343 V HN 0.527 nan 8.190 nan 0.000 0.430 344 V N 5.563 124.848 119.914 -1.047 0.000 2.334 344 V HA 0.437 4.556 4.120 -0.000 0.000 0.281 344 V C -0.604 174.994 176.094 -0.828 0.000 1.016 344 V CA -0.335 61.481 62.300 -0.807 0.000 0.832 344 V CB 1.188 32.632 31.823 -0.632 0.000 0.999 344 V HN 0.704 nan 8.190 nan 0.000 0.439 345 F N 3.044 122.476 119.950 -0.864 0.000 2.406 345 F HA 0.313 4.840 4.527 -0.000 0.000 0.358 345 F C 0.740 176.175 175.800 -0.609 0.000 1.161 345 F CA -0.604 56.827 58.000 -0.949 0.000 1.185 345 F CB 0.484 38.390 39.000 -1.823 0.000 1.421 345 F HN 0.413 nan 8.300 nan 0.000 0.576 346 D N 3.252 123.532 120.400 -0.199 0.000 2.522 346 D HA 0.150 4.790 4.640 -0.000 0.000 0.218 346 D C 1.298 177.620 176.300 0.037 0.000 1.149 346 D CA 0.002 53.962 54.000 -0.066 0.000 0.981 346 D CB 0.341 41.121 40.800 -0.032 0.000 1.041 346 D HN 0.453 nan 8.370 nan 0.000 0.518 347 R N 1.755 122.311 120.500 0.093 0.000 2.090 347 R HA -0.030 4.310 4.340 -0.000 0.000 0.228 347 R C 2.163 178.573 176.300 0.184 0.000 1.110 347 R CA 1.219 57.460 56.100 0.235 0.000 0.973 347 R CB -0.048 30.438 30.300 0.311 0.000 0.869 347 R HN 0.370 nan 8.270 nan 0.000 0.440 348 A N 1.397 124.297 122.820 0.134 0.000 1.927 348 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 348 A C 1.791 179.406 177.584 0.052 0.000 1.185 348 A CA 1.535 53.628 52.037 0.092 0.000 0.639 348 A CB -0.283 18.759 19.000 0.070 0.000 0.820 348 A HN 0.243 nan 8.150 nan 0.000 0.451 349 R N -1.626 118.887 120.500 0.022 0.000 2.468 349 R HA 0.210 4.549 4.340 -0.000 0.000 0.280 349 R C -0.441 175.866 176.300 0.010 0.000 0.963 349 R CA -0.087 56.004 56.100 -0.016 0.000 1.083 349 R CB 0.213 30.453 30.300 -0.100 0.000 1.200 349 R HN 0.401 nan 8.270 nan 0.000 0.541 350 K N 1.684 122.126 120.400 0.069 0.000 3.244 350 K HA -0.223 4.097 4.320 -0.000 0.000 0.270 350 K C -0.859 175.805 176.600 0.105 0.000 1.016 350 K CA 0.959 57.308 56.287 0.103 0.000 0.754 350 K CB -0.960 31.579 32.500 0.065 0.000 1.326 350 K HN 0.482 nan 8.250 nan 0.000 0.465 351 R N -0.961 119.602 120.500 0.105 0.000 2.692 351 R HA 0.646 4.986 4.340 -0.000 0.000 0.269 351 R C -1.095 175.257 176.300 0.087 0.000 1.030 351 R CA -1.139 55.034 56.100 0.123 0.000 0.882 351 R CB 1.194 31.550 30.300 0.093 0.000 1.250 351 R HN 0.044 nan 8.270 nan 0.000 0.465 352 I N 0.952 121.569 120.570 0.077 0.000 2.465 352 I HA 0.498 4.668 4.170 -0.000 0.000 0.291 352 I C 0.057 176.058 176.117 -0.194 0.000 1.014 352 I CA -0.880 60.286 61.300 -0.223 0.000 1.093 352 I CB 2.394 40.143 38.000 -0.419 0.000 1.267 352 I HN 0.860 nan 8.210 nan 0.000 0.431 353 G N 5.043 113.498 108.800 -0.575 0.000 2.389 353 G HA2 0.728 4.688 3.960 -0.000 0.000 0.328 353 G HA3 0.728 4.688 3.960 -0.000 0.000 0.328 353 G C -1.333 173.055 174.900 -0.853 0.000 1.133 353 G CA -0.238 44.307 45.100 -0.925 0.000 0.891 353 G HN 0.317 nan 8.290 nan 0.000 0.485 354 F N 0.516 120.137 119.950 -0.549 0.000 2.540 354 F HA 0.729 5.256 4.527 -0.000 0.000 0.317 354 F C 0.451 176.080 175.800 -0.284 0.000 1.104 354 F CA -0.517 57.260 58.000 -0.371 0.000 0.913 354 F CB 2.678 41.490 39.000 -0.314 0.000 1.170 354 F HN 0.711 nan 8.300 nan 0.000 0.450 355 A N 1.529 124.359 122.820 0.018 0.000 2.527 355 A HA 0.789 5.108 4.320 -0.000 0.000 0.293 355 A C -1.346 176.448 177.584 0.350 0.000 1.117 355 A CA -0.870 51.241 52.037 0.123 0.000 0.723 355 A CB 1.148 20.080 19.000 -0.114 0.000 1.313 355 A HN 0.449 nan 8.150 nan 0.000 0.411 356 V N 1.637 121.745 119.914 0.323 0.000 2.540 356 V HA 0.199 4.319 4.120 -0.000 0.000 0.297 356 V C 1.162 177.380 176.094 0.207 0.000 1.024 356 V CA 0.379 62.800 62.300 0.202 0.000 1.105 356 V CB 1.009 32.889 31.823 0.095 0.000 0.938 356 V HN 0.881 nan 8.190 nan 0.000 0.482 357 S N 4.464 120.227 115.700 0.105 0.000 2.488 357 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 357 S C 1.445 176.166 174.600 0.202 0.000 1.259 357 S CA -0.193 58.105 58.200 0.162 0.000 1.061 357 S CB 0.950 64.212 63.200 0.103 0.000 0.910 357 S HN 1.034 nan 8.310 nan 0.000 0.491 358 A N 3.882 126.774 122.820 0.120 0.000 2.148 358 A HA -0.150 4.170 4.320 -0.000 0.000 0.222 358 A C 2.060 179.686 177.584 0.071 0.000 1.161 358 A CA 1.805 53.886 52.037 0.073 0.000 0.662 358 A CB -1.236 17.762 19.000 -0.004 0.000 0.799 358 A HN 1.335 nan 8.150 nan 0.000 0.466 359 c N -1.301 117.349 118.600 0.083 0.000 3.183 359 c HA 0.340 4.910 4.570 -0.000 0.000 0.285 359 c C 1.043 175.161 174.090 0.046 0.000 1.313 359 c CA -0.074 56.282 56.329 0.044 0.000 1.711 359 c CB -1.540 40.986 42.510 0.027 0.000 2.135 359 c HN 0.706 nan 8.230 nan 0.000 0.651 360 H N 1.519 120.594 119.070 0.008 0.000 2.771 360 H HA 0.386 4.941 4.556 -0.000 0.000 0.364 360 H C -0.066 175.316 175.328 0.090 0.000 1.133 360 H CA 0.764 56.805 56.048 -0.012 0.000 1.423 360 H CB 0.967 30.656 29.762 -0.121 0.000 1.425 360 H HN 0.485 nan 8.280 nan 0.000 0.606 361 V N 3.160 123.032 119.914 -0.069 0.000 2.368 361 V HA 0.337 4.457 4.120 -0.000 0.000 0.266 361 V C -0.161 175.845 176.094 -0.147 0.000 1.045 361 V CA -0.520 61.690 62.300 -0.151 0.000 0.899 361 V CB -0.022 31.729 31.823 -0.120 0.000 1.006 361 V HN 1.061 nan 8.190 nan 0.000 0.470 362 H N 2.914 121.789 119.070 -0.325 0.000 2.908 362 H HA 0.765 5.321 4.556 -0.000 0.000 0.350 362 H C -1.132 174.083 175.328 -0.188 0.000 1.217 362 H CA -0.529 55.369 56.048 -0.249 0.000 1.168 362 H CB 1.766 31.418 29.762 -0.184 0.000 1.891 362 H HN 0.681 nan 8.280 nan 0.000 0.566 363 D N -0.860 119.510 120.400 -0.050 0.000 2.569 363 D HA 0.098 4.737 4.640 -0.000 0.000 0.266 363 D C 0.852 177.215 176.300 0.104 0.000 1.164 363 D CA -0.786 53.221 54.000 0.010 0.000 1.071 363 D CB 1.047 41.919 40.800 0.121 0.000 1.183 363 D HN 0.587 nan 8.370 nan 0.000 0.613 364 E N -1.447 118.817 120.200 0.107 0.000 2.347 364 E HA 0.018 4.368 4.350 -0.000 0.000 0.196 364 E C 0.772 177.265 176.600 -0.178 0.000 1.008 364 E CA 0.945 57.300 56.400 -0.076 0.000 0.852 364 E CB -0.202 29.362 29.700 -0.226 0.000 0.783 364 E HN 0.503 nan 8.360 nan 0.000 0.505 365 F N -0.364 119.620 119.950 0.057 0.000 2.343 365 F HA 0.353 4.879 4.527 -0.001 0.000 0.286 365 F C 1.129 176.965 175.800 0.060 0.000 1.057 365 F CA 0.354 58.389 58.000 0.058 0.000 1.365 365 F CB 0.253 39.290 39.000 0.063 0.000 1.114 365 F HN -0.260 nan 8.300 nan 0.000 0.545 366 R N -0.843 119.812 120.500 0.259 0.000 2.888 366 R HA 0.705 5.044 4.340 -0.000 0.000 0.266 366 R C -1.131 175.248 176.300 0.132 0.000 1.020 366 R CA -0.676 55.522 56.100 0.162 0.000 0.963 366 R CB 2.059 32.446 30.300 0.145 0.000 1.197 366 R HN -0.131 nan 8.270 nan 0.000 0.481 367 T N -0.032 114.574 114.554 0.086 0.000 2.932 367 T HA 0.421 4.771 4.350 -0.000 0.000 0.318 367 T C -0.840 173.872 174.700 0.019 0.000 1.265 367 T CA -0.841 61.294 62.100 0.060 0.000 1.036 367 T CB 1.884 70.741 68.868 -0.019 0.000 1.209 367 T HN 0.706 nan 8.240 nan 0.000 0.484 368 A N 1.435 124.224 122.820 -0.052 0.000 2.511 368 A HA 0.660 4.980 4.320 -0.000 0.000 0.242 368 A C 0.409 177.909 177.584 -0.140 0.000 1.069 368 A CA -0.026 51.853 52.037 -0.263 0.000 0.763 368 A CB -0.349 18.139 19.000 -0.853 0.000 1.001 368 A HN 1.305 nan 8.150 nan 0.000 0.498 369 A N 1.776 124.622 122.820 0.043 0.000 2.498 369 A HA 0.686 5.006 4.320 -0.000 0.000 0.298 369 A C -0.975 176.701 177.584 0.153 0.000 1.075 369 A CA -0.478 51.607 52.037 0.081 0.000 0.714 369 A CB 1.655 20.675 19.000 0.032 0.000 1.299 369 A HN 1.276 nan 8.150 nan 0.000 0.407 370 V N 1.753 121.730 119.914 0.105 0.000 2.443 370 V HA 0.521 4.641 4.120 -0.000 0.000 0.293 370 V C -0.491 175.537 176.094 -0.111 0.000 1.021 370 V CA -0.321 61.982 62.300 0.006 0.000 0.848 370 V CB 1.182 33.062 31.823 0.095 0.000 0.998 370 V HN 0.955 nan 8.190 nan 0.000 0.424 371 E N 2.494 122.540 120.200 -0.257 0.000 2.293 371 E HA 0.815 5.165 4.350 -0.000 0.000 0.270 371 E C -0.075 176.163 176.600 -0.603 0.000 0.879 371 E CA -0.604 55.610 56.400 -0.311 0.000 0.756 371 E CB 2.848 32.527 29.700 -0.034 0.000 1.208 371 E HN 0.879 nan 8.360 nan 0.000 0.428 372 G N 1.911 110.114 108.800 -0.995 0.000 2.550 372 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 372 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 372 G C -2.922 171.620 174.900 -0.597 0.000 1.402 372 G CA -0.827 43.590 45.100 -1.138 0.000 0.784 372 G HN 0.361 nan 8.290 nan 0.000 0.482 373 P HA 0.743 nan 4.420 nan 0.000 0.285 373 P C -1.490 175.559 177.300 -0.418 0.000 1.269 373 P CA -0.530 62.446 63.100 -0.207 0.000 0.844 373 P CB 1.488 33.270 31.700 0.136 0.000 1.094 374 F N -0.783 119.186 119.950 0.032 0.000 2.556 374 F HA 0.402 4.929 4.527 -0.001 0.000 0.327 374 F C 0.140 175.985 175.800 0.074 0.000 1.059 374 F CA -1.011 57.031 58.000 0.069 0.000 0.953 374 F CB 1.807 40.894 39.000 0.145 0.000 1.227 374 F HN -0.071 nan 8.300 nan 0.000 0.478 375 V N 1.472 121.540 119.914 0.257 0.000 2.350 375 V HA 0.502 4.622 4.120 -0.000 0.000 0.276 375 V C -0.569 175.591 176.094 0.110 0.000 1.028 375 V CA -0.275 62.114 62.300 0.148 0.000 0.860 375 V CB 1.140 33.023 31.823 0.100 0.000 0.990 375 V HN 0.802 nan 8.190 nan 0.000 0.453 376 T N 6.441 121.046 114.554 0.085 0.000 3.011 376 T HA 0.564 4.914 4.350 -0.000 0.000 0.303 376 T C -0.492 174.228 174.700 0.033 0.000 0.997 376 T CA -0.443 61.676 62.100 0.032 0.000 1.007 376 T CB 1.152 70.028 68.868 0.013 0.000 1.017 376 T HN 0.303 nan 8.240 nan 0.000 0.443 377 L N 2.451 123.683 121.223 0.015 0.000 2.360 377 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 377 L C 0.083 176.959 176.870 0.011 0.000 1.057 377 L CA -0.668 54.183 54.840 0.017 0.000 0.803 377 L CB 0.520 42.585 42.059 0.011 0.000 1.207 377 L HN 0.680 nan 8.230 nan 0.000 0.445 378 D N 1.313 121.723 120.400 0.015 0.000 2.873 378 D HA -0.182 4.458 4.640 -0.000 0.000 0.228 378 D C 0.925 177.236 176.300 0.018 0.000 1.122 378 D CA 0.721 54.727 54.000 0.011 0.000 0.758 378 D CB -0.707 40.093 40.800 0.000 0.000 1.094 378 D HN 0.605 nan 8.370 nan 0.000 0.434 379 M N -0.566 119.051 119.600 0.029 0.000 2.229 379 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 379 M C 2.009 178.335 176.300 0.044 0.000 1.063 379 M CA 1.345 56.669 55.300 0.039 0.000 1.114 379 M CB 0.006 32.636 32.600 0.051 0.000 1.387 379 M HN -0.060 nan 8.290 nan 0.000 0.420 380 E N 0.631 120.854 120.200 0.038 0.000 2.285 380 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 380 E C 1.177 177.795 176.600 0.030 0.000 0.997 380 E CA 0.927 57.350 56.400 0.038 0.000 0.845 380 E CB 0.036 29.754 29.700 0.030 0.000 0.782 380 E HN 0.335 nan 8.360 nan 0.000 0.491 381 D N -0.831 119.581 120.400 0.020 0.000 2.263 381 D HA -0.134 4.505 4.640 -0.000 0.000 0.208 381 D C 1.401 177.714 176.300 0.023 0.000 0.971 381 D CA 0.622 54.628 54.000 0.010 0.000 0.867 381 D CB -0.335 40.463 40.800 -0.003 0.000 0.929 381 D HN 0.306 nan 8.370 nan 0.000 0.492 382 c N 0.825 119.448 118.600 0.039 0.000 2.448 382 c HA 0.149 4.718 4.570 -0.000 0.000 0.280 382 c C 1.686 175.836 174.090 0.100 0.000 1.398 382 c CA -0.123 56.242 56.329 0.060 0.000 1.774 382 c CB -1.170 41.387 42.510 0.078 0.000 1.888 382 c HN 0.240 nan 8.230 nan 0.000 0.519 383 G N -1.005 107.854 108.800 0.098 0.000 2.442 383 G HA2 0.351 4.311 3.960 -0.000 0.000 0.249 383 G HA3 0.351 4.311 3.960 -0.000 0.000 0.249 383 G C -0.933 174.062 174.900 0.159 0.000 1.263 383 G CA 0.022 45.202 45.100 0.134 0.000 0.846 383 G HN 0.444 nan 8.290 nan 0.000 0.555 384 Y N 2.303 122.660 120.300 0.095 0.000 2.313 384 Y HA 0.376 4.925 4.550 -0.000 0.000 0.332 384 Y C 0.429 176.380 175.900 0.085 0.000 1.071 384 Y CA -0.580 57.584 58.100 0.106 0.000 1.169 384 Y CB 0.902 39.473 38.460 0.185 0.000 1.192 384 Y HN 0.631 nan 8.280 nan 0.000 0.487 385 N N 0.000 118.366 118.700 -0.557 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.809 53.050 -0.401 0.000 0.885 385 N CB 0.000 38.343 38.487 -0.240 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667