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 2fv7_1_A DATA FIRST_RESID 15 DATA SEQUENCE VAAVVVVGSC MTDLVSLTSR LPKTGETIHG HKFFIGFGGK GANQCVQAAR DATA SEQUENCE LGAMTSMVCK VGKDSFGNDY IENLKQNDIS TEFTYQTKDA ATGTASIIVN DATA SEQUENCE NEGQNIIVIV AGANLLLNTE DLRAAANVIS RAKVMVCQLE ITPATSLEAL DATA SEQUENCE TMARRSGVKT LFNPAPAIAD LDPQFYTLSD VFCCNESEAE ILTGLTVGSA DATA SEQUENCE ADAGEAALVL LKRGCQVVII TLGAEGCVVL SQTEPEPKHI PTEKVKAVDT DATA SEQUENCE TGAGDSFVGA LAFYLAYYPN LSLEDMLNRS NFIAAVSVQA AGTQSSYPYK DATA SEQUENCE KDLPLTLF 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 15 V HA 0.000 nan 4.120 nan 0.000 0.244 15 V C 0.000 176.129 176.094 0.059 0.000 1.182 15 V CA 0.000 62.331 62.300 0.051 0.000 1.235 15 V CB 0.000 31.841 31.823 0.030 0.000 1.184 16 A N 5.128 127.987 122.820 0.065 0.000 2.396 16 A HA 0.758 5.078 4.320 0.000 0.000 0.279 16 A C 1.269 178.875 177.584 0.036 0.000 1.165 16 A CA 0.430 52.511 52.037 0.073 0.000 0.824 16 A CB 1.199 20.248 19.000 0.083 0.000 1.100 16 A HN 2.127 nan 8.150 nan 0.000 0.516 17 A N 2.999 125.841 122.820 0.037 0.000 1.970 17 A HA 0.322 4.642 4.320 0.000 0.000 0.216 17 A C 0.755 178.323 177.584 -0.027 0.000 1.170 17 A CA 1.047 53.042 52.037 -0.070 0.000 0.645 17 A CB -0.010 18.822 19.000 -0.279 0.000 0.816 17 A HN 0.801 nan 8.150 nan 0.000 0.447 18 V N 1.092 121.046 119.914 0.066 0.000 2.357 18 V HA 0.429 4.549 4.120 0.000 0.000 0.284 18 V C -0.853 175.285 176.094 0.074 0.000 1.018 18 V CA -0.532 61.816 62.300 0.080 0.000 0.841 18 V CB 1.393 33.303 31.823 0.145 0.000 0.991 18 V HN 0.081 nan 8.190 nan 0.000 0.437 19 V N 5.809 125.753 119.914 0.051 0.000 2.409 19 V HA 0.455 4.575 4.120 0.000 0.000 0.291 19 V C -0.206 175.920 176.094 0.053 0.000 1.020 19 V CA -0.615 61.713 62.300 0.046 0.000 0.848 19 V CB 1.990 33.819 31.823 0.010 0.000 0.990 19 V HN 0.595 nan 8.190 nan 0.000 0.430 20 V N 5.845 125.799 119.914 0.067 0.000 2.347 20 V HA 0.376 4.496 4.120 0.000 0.000 0.280 20 V C -0.069 176.066 176.094 0.068 0.000 1.021 20 V CA -0.553 61.789 62.300 0.069 0.000 0.847 20 V CB 1.756 33.624 31.823 0.075 0.000 0.990 20 V HN 0.613 nan 8.190 nan 0.000 0.444 21 V N 5.367 125.320 119.914 0.065 0.000 2.318 21 V HA 0.912 5.032 4.120 0.000 0.000 0.271 21 V C 0.718 176.854 176.094 0.070 0.000 1.030 21 V CA 0.614 62.953 62.300 0.065 0.000 0.844 21 V CB 0.474 32.327 31.823 0.050 0.000 1.015 21 V HN 1.100 nan 8.190 nan 0.000 0.460 22 G N 3.578 112.416 108.800 0.062 0.000 2.364 22 G HA2 0.467 4.428 3.960 0.000 0.000 0.286 22 G HA3 0.467 4.428 3.960 0.000 0.000 0.286 22 G C -0.659 174.255 174.900 0.022 0.000 1.241 22 G CA 0.068 45.198 45.100 0.049 0.000 0.887 22 G HN 0.769 nan 8.290 nan 0.000 0.484 23 S N -1.756 113.946 115.700 0.004 0.000 2.617 23 S HA 0.700 5.170 4.470 0.000 0.000 0.283 23 S C -0.487 174.053 174.600 -0.101 0.000 1.189 23 S CA -0.557 57.624 58.200 -0.031 0.000 1.036 23 S CB 1.456 64.648 63.200 -0.013 0.000 1.014 23 S HN 1.087 nan 8.310 nan 0.000 0.522 24 C N 3.176 122.357 119.300 -0.198 0.000 2.482 24 C HA 0.719 5.179 4.460 0.000 0.000 0.317 24 C C -0.335 174.492 174.990 -0.271 0.000 1.197 24 C CA -0.669 58.055 59.018 -0.490 0.000 1.432 24 C CB 0.492 27.638 27.740 -0.991 0.000 2.062 24 C HN 0.909 nan 8.230 nan 0.000 0.471 25 M N 1.975 121.533 119.600 -0.070 0.000 2.433 25 M HA 0.339 4.819 4.480 0.000 0.000 0.290 25 M C -0.699 175.736 176.300 0.224 0.000 1.173 25 M CA -0.112 55.234 55.300 0.077 0.000 0.905 25 M CB 2.500 35.122 32.600 0.036 0.000 1.692 25 M HN 0.552 nan 8.290 nan 0.000 0.462 26 T N 1.488 116.098 114.554 0.093 0.000 2.771 26 T HA 0.275 4.625 4.350 0.000 0.000 0.291 26 T C -0.672 173.894 174.700 -0.224 0.000 0.954 26 T CA -0.508 61.525 62.100 -0.112 0.000 1.045 26 T CB 0.416 69.015 68.868 -0.448 0.000 0.917 26 T HN 0.382 nan 8.240 nan 0.000 0.484 27 D N 3.328 123.565 120.400 -0.272 0.000 2.280 27 D HA 0.282 4.922 4.640 0.000 0.000 0.243 27 D C -0.195 175.853 176.300 -0.420 0.000 1.129 27 D CA -0.277 53.553 54.000 -0.283 0.000 0.848 27 D CB 1.339 41.995 40.800 -0.240 0.000 1.107 27 D HN 0.392 nan 8.370 nan 0.000 0.471 28 L N 2.538 123.553 121.223 -0.348 0.000 2.313 28 L HA 0.326 4.666 4.340 0.000 0.000 0.273 28 L C -0.494 176.107 176.870 -0.448 0.000 1.028 28 L CA -0.849 53.794 54.840 -0.329 0.000 0.871 28 L CB 1.135 43.207 42.059 0.023 0.000 1.242 28 L HN -0.033 nan 8.230 nan 0.000 0.434 29 V N 1.397 120.722 119.914 -0.981 0.000 2.370 29 V HA 0.368 4.488 4.120 0.000 0.000 0.279 29 V C 0.308 175.961 176.094 -0.735 0.000 1.029 29 V CA -0.302 61.442 62.300 -0.926 0.000 0.870 29 V CB 1.559 32.513 31.823 -1.449 0.000 0.984 29 V HN 0.661 nan 8.190 nan 0.000 0.451 30 S N 5.988 121.522 115.700 -0.277 0.000 2.449 30 S HA 0.679 5.149 4.470 0.000 0.000 0.310 30 S C -0.418 174.104 174.600 -0.130 0.000 1.096 30 S CA -0.510 57.639 58.200 -0.084 0.000 1.095 30 S CB 0.940 64.156 63.200 0.026 0.000 1.007 30 S HN 0.528 nan 8.310 nan 0.000 0.474 31 L N 3.768 124.894 121.223 -0.163 0.000 2.295 31 L HA 0.621 4.961 4.340 0.000 0.000 0.285 31 L C 0.659 177.235 176.870 -0.488 0.000 1.035 31 L CA -0.466 54.209 54.840 -0.274 0.000 0.806 31 L CB 1.381 43.286 42.059 -0.257 0.000 1.214 31 L HN 0.692 nan 8.230 nan 0.000 0.426 32 T N -2.394 112.015 114.554 -0.242 0.000 2.831 32 T HA 0.361 4.711 4.350 0.000 0.000 0.287 32 T C 0.758 175.515 174.700 0.096 0.000 1.070 32 T CA -0.054 61.996 62.100 -0.085 0.000 1.010 32 T CB 1.660 70.515 68.868 -0.022 0.000 1.264 32 T HN 0.518 nan 8.240 nan 0.000 0.532 33 S N -0.172 115.610 115.700 0.138 0.000 2.427 33 S HA 0.187 4.657 4.470 0.000 0.000 0.224 33 S C 0.840 175.482 174.600 0.071 0.000 1.047 33 S CA -0.323 57.953 58.200 0.126 0.000 0.953 33 S CB -0.490 62.780 63.200 0.116 0.000 0.824 33 S HN 1.035 nan 8.310 nan 0.000 0.502 34 R N 0.126 120.658 120.500 0.054 0.000 2.837 34 R HA 0.678 5.018 4.340 0.000 0.000 0.271 34 R C -1.220 175.092 176.300 0.020 0.000 0.993 34 R CA -0.981 55.139 56.100 0.034 0.000 0.931 34 R CB 0.900 31.218 30.300 0.031 0.000 1.206 34 R HN 0.130 nan 8.270 nan 0.000 0.474 35 L N 2.186 123.416 121.223 0.012 0.000 2.417 35 L HA 0.404 4.744 4.340 0.000 0.000 0.268 35 L C -1.740 175.131 176.870 0.001 0.000 1.158 35 L CA -2.059 52.782 54.840 0.002 0.000 0.819 35 L CB 0.767 42.825 42.059 -0.001 0.000 1.112 35 L HN 0.526 nan 8.230 nan 0.000 0.458 36 P HA 0.276 nan 4.420 nan 0.000 0.282 36 P C -1.257 176.039 177.300 -0.007 0.000 1.249 36 P CA -0.557 62.538 63.100 -0.008 0.000 0.806 36 P CB 1.321 33.010 31.700 -0.018 0.000 0.984 37 K N 0.189 120.586 120.400 -0.005 0.000 2.185 37 K HA 0.384 4.705 4.320 0.000 0.000 0.240 37 K C 0.016 176.612 176.600 -0.007 0.000 0.983 37 K CA -0.701 55.584 56.287 -0.004 0.000 0.873 37 K CB 0.645 33.145 32.500 -0.001 0.000 1.118 37 K HN 0.331 nan 8.250 nan 0.000 0.441 38 T N 1.075 115.625 114.554 -0.006 0.000 2.849 38 T HA 0.069 4.419 4.350 0.000 0.000 0.289 38 T C 1.181 175.877 174.700 -0.007 0.000 1.010 38 T CA 1.427 63.523 62.100 -0.007 0.000 1.161 38 T CB -0.016 68.849 68.868 -0.005 0.000 0.989 38 T HN 0.910 nan 8.240 nan 0.000 0.523 39 G N 3.181 111.975 108.800 -0.010 0.000 2.225 39 G HA2 -0.220 3.740 3.960 0.000 0.000 0.254 39 G HA3 -0.220 3.740 3.960 0.000 0.000 0.254 39 G C -0.100 174.792 174.900 -0.013 0.000 0.988 39 G CA -0.121 44.973 45.100 -0.010 0.000 0.625 39 G HN 0.716 nan 8.290 nan 0.000 0.527 40 E N 1.225 121.416 120.200 -0.014 0.000 2.259 40 E HA 0.475 4.826 4.350 0.000 0.000 0.281 40 E C -0.376 176.204 176.600 -0.033 0.000 1.027 40 E CA -0.069 56.321 56.400 -0.017 0.000 0.838 40 E CB 0.947 30.641 29.700 -0.010 0.000 1.066 40 E HN 0.128 nan 8.360 nan 0.000 0.401 41 T N 4.199 118.725 114.554 -0.045 0.000 2.744 41 T HA 0.391 4.741 4.350 0.000 0.000 0.291 41 T C 0.270 174.909 174.700 -0.102 0.000 0.957 41 T CA -0.487 61.559 62.100 -0.090 0.000 1.002 41 T CB -0.047 68.754 68.868 -0.111 0.000 0.919 41 T HN 0.373 nan 8.240 nan 0.000 0.468 42 I N 0.292 120.791 120.570 -0.118 0.000 2.863 42 I HA 0.689 4.859 4.170 0.000 0.000 0.311 42 I C -0.751 175.256 176.117 -0.184 0.000 1.026 42 I CA -1.320 59.934 61.300 -0.077 0.000 1.077 42 I CB 1.604 39.599 38.000 -0.009 0.000 1.262 42 I HN 0.467 nan 8.210 nan 0.000 0.461 43 H N 1.785 120.864 119.070 0.015 0.000 2.467 43 H HA 0.667 5.224 4.556 0.000 0.000 0.326 43 H C 0.350 175.693 175.328 0.025 0.000 1.094 43 H CA 0.039 56.099 56.048 0.020 0.000 1.253 43 H CB 1.838 31.617 29.762 0.028 0.000 1.439 43 H HN 0.916 nan 8.280 nan 0.000 0.479 44 G N -0.047 108.817 108.800 0.107 0.000 2.552 44 G HA2 0.225 4.185 3.960 0.000 0.000 0.318 44 G HA3 0.225 4.185 3.960 0.000 0.000 0.318 44 G C -0.104 174.842 174.900 0.077 0.000 1.240 44 G CA -0.591 44.523 45.100 0.022 0.000 1.002 44 G HN 0.937 nan 8.290 nan 0.000 0.493 45 H N -2.376 116.753 119.070 0.098 0.000 3.046 45 H HA 0.436 4.992 4.556 0.000 0.000 0.262 45 H C 0.403 175.792 175.328 0.103 0.000 1.044 45 H CA -0.091 56.009 56.048 0.088 0.000 1.209 45 H CB 0.543 30.343 29.762 0.064 0.000 1.507 45 H HN 0.412 nan 8.280 nan 0.000 0.507 46 K N 0.121 120.542 120.400 0.035 0.000 2.557 46 K HA 0.382 4.702 4.320 0.000 0.000 0.261 46 K C -2.255 174.450 176.600 0.175 0.000 0.932 46 K CA -0.952 55.429 56.287 0.156 0.000 0.829 46 K CB 2.022 34.653 32.500 0.217 0.000 1.358 46 K HN 0.075 nan 8.250 nan 0.000 0.430 47 F N 5.478 125.476 119.950 0.081 0.000 2.520 47 F HA 0.724 5.251 4.527 -0.000 0.000 0.322 47 F C -1.655 174.222 175.800 0.127 0.000 1.103 47 F CA -0.598 57.414 58.000 0.019 0.000 0.926 47 F CB 1.059 40.046 39.000 -0.022 0.000 1.154 47 F HN 0.500 nan 8.300 nan 0.000 0.453 48 F N 4.611 123.989 119.950 -0.954 0.000 2.662 48 F HA 0.760 5.287 4.527 0.000 0.000 0.312 48 F C -1.992 173.268 175.800 -0.902 0.000 1.113 48 F CA -1.490 56.094 58.000 -0.693 0.000 0.951 48 F CB 1.072 39.874 39.000 -0.330 0.000 1.344 48 F HN 0.291 nan 8.300 nan 0.000 0.462 49 I N 1.524 121.860 120.570 -0.390 0.000 2.412 49 I HA 0.724 4.894 4.170 0.000 0.000 0.296 49 I C 0.266 176.146 176.117 -0.396 0.000 0.987 49 I CA -0.727 60.288 61.300 -0.475 0.000 1.180 49 I CB 1.774 39.557 38.000 -0.362 0.000 1.340 49 I HN 0.959 nan 8.210 nan 0.000 0.455 50 G N 4.483 112.979 108.800 -0.506 0.000 2.658 50 G HA2 0.715 4.675 3.960 0.000 0.000 0.292 50 G HA3 0.715 4.675 3.960 0.000 0.000 0.292 50 G C -1.551 172.975 174.900 -0.624 0.000 1.320 50 G CA -0.417 44.418 45.100 -0.442 0.000 0.933 50 G HN 0.276 nan 8.290 nan 0.000 0.476 51 F N 0.267 120.147 119.950 -0.118 0.000 2.427 51 F HA 0.714 5.241 4.527 0.000 0.000 0.346 51 F C 0.848 176.669 175.800 0.035 0.000 1.120 51 F CA -0.176 57.753 58.000 -0.117 0.000 1.033 51 F CB 2.232 40.991 39.000 -0.401 0.000 1.126 51 F HN 0.719 nan 8.300 nan 0.000 0.462 52 G N 0.308 109.320 108.800 0.353 0.000 3.183 52 G HA2 0.664 4.624 3.960 0.000 0.000 0.247 52 G HA3 0.664 4.624 3.960 0.000 0.000 0.247 52 G C -0.443 174.604 174.900 0.245 0.000 1.211 52 G CA -0.695 44.543 45.100 0.231 0.000 0.835 52 G HN 1.130 nan 8.290 nan 0.000 0.604 53 G N -0.922 107.951 108.800 0.122 0.000 3.209 53 G HA2 -0.083 3.877 3.960 0.000 0.000 0.686 53 G HA3 -0.083 3.877 3.960 0.000 0.000 0.686 53 G C 0.419 175.366 174.900 0.079 0.000 1.065 53 G CA 0.377 45.515 45.100 0.063 0.000 0.812 53 G HN 0.711 nan 8.290 nan 0.000 0.573 54 K N 1.251 121.681 120.400 0.051 0.000 2.032 54 K HA -0.107 4.213 4.320 0.000 0.000 0.209 54 K C 2.868 179.507 176.600 0.065 0.000 1.048 54 K CA 1.949 58.269 56.287 0.056 0.000 0.927 54 K CB -0.206 32.304 32.500 0.016 0.000 0.712 54 K HN 0.748 nan 8.250 nan 0.000 0.441 55 G N 1.189 110.017 108.800 0.046 0.000 2.480 55 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 55 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 55 G C 1.652 176.598 174.900 0.076 0.000 1.200 55 G CA 1.138 46.269 45.100 0.051 0.000 0.782 55 G HN 0.379 nan 8.290 nan 0.000 0.554 56 A N 1.238 124.104 122.820 0.077 0.000 1.883 56 A HA -0.144 4.176 4.320 0.000 0.000 0.217 56 A C 2.318 180.020 177.584 0.197 0.000 1.186 56 A CA 2.114 54.239 52.037 0.147 0.000 0.624 56 A CB -0.599 18.527 19.000 0.209 0.000 0.822 56 A HN 0.364 nan 8.150 nan 0.000 0.444 57 N N 0.031 118.861 118.700 0.217 0.000 2.018 57 N HA -0.223 4.517 4.740 0.000 0.000 0.196 57 N C 1.904 177.574 175.510 0.266 0.000 1.043 57 N CA 1.978 55.223 53.050 0.325 0.000 0.856 57 N CB -0.666 38.015 38.487 0.324 0.000 1.042 57 N HN 0.698 nan 8.380 nan 0.000 0.423 58 Q N -0.278 119.604 119.800 0.137 0.000 2.061 58 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 58 Q C 2.369 178.403 176.000 0.057 0.000 0.984 58 Q CA 1.367 57.202 55.803 0.054 0.000 0.846 58 Q CB -0.392 28.377 28.738 0.051 0.000 0.902 58 Q HN 0.458 nan 8.270 nan 0.000 0.421 59 C N -0.173 119.182 119.300 0.090 0.000 2.440 59 C HA -0.077 4.383 4.460 0.000 0.000 0.278 59 C C 2.636 177.675 174.990 0.083 0.000 1.295 59 C CA 0.493 59.564 59.018 0.088 0.000 1.738 59 C CB -0.771 27.027 27.740 0.097 0.000 1.987 59 C HN 0.356 nan 8.230 nan 0.000 0.492 60 V N 0.671 120.654 119.914 0.115 0.000 2.295 60 V HA -0.222 3.898 4.120 0.000 0.000 0.246 60 V C 2.543 178.669 176.094 0.054 0.000 1.049 60 V CA 2.433 64.795 62.300 0.103 0.000 1.024 60 V CB -0.859 31.062 31.823 0.162 0.000 0.648 60 V HN 0.617 nan 8.190 nan 0.000 0.447 61 Q N 0.476 120.299 119.800 0.037 0.000 2.050 61 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 61 Q C 2.120 178.037 176.000 -0.138 0.000 0.980 61 Q CA 2.290 58.008 55.803 -0.142 0.000 0.840 61 Q CB -0.618 27.864 28.738 -0.426 0.000 0.898 61 Q HN 0.582 nan 8.270 nan 0.000 0.424 62 A N 0.351 123.137 122.820 -0.057 0.000 1.902 62 A HA -0.075 4.245 4.320 0.000 0.000 0.217 62 A C 2.306 179.886 177.584 -0.006 0.000 1.181 62 A CA 1.957 53.998 52.037 0.008 0.000 0.623 62 A CB -1.248 17.819 19.000 0.112 0.000 0.818 62 A HN 0.542 nan 8.150 nan 0.000 0.443 63 A N -0.080 122.740 122.820 0.000 0.000 1.877 63 A HA -0.188 4.132 4.320 0.000 0.000 0.216 63 A C 2.229 179.770 177.584 -0.072 0.000 1.186 63 A CA 1.560 53.596 52.037 -0.002 0.000 0.620 63 A CB -0.513 18.500 19.000 0.021 0.000 0.822 63 A HN 0.552 nan 8.150 nan 0.000 0.443 64 R N -0.520 119.885 120.500 -0.158 0.000 2.152 64 R HA -0.012 4.328 4.340 0.000 0.000 0.232 64 R C 1.682 177.843 176.300 -0.230 0.000 1.117 64 R CA 1.181 57.116 56.100 -0.274 0.000 0.981 64 R CB -0.470 29.474 30.300 -0.592 0.000 0.870 64 R HN 0.508 nan 8.270 nan 0.000 0.451 65 L N -0.623 120.392 121.223 -0.345 0.000 2.552 65 L HA 0.055 4.395 4.340 0.000 0.000 0.227 65 L C 1.291 177.801 176.870 -0.599 0.000 1.146 65 L CA 0.775 55.239 54.840 -0.627 0.000 0.858 65 L CB 0.042 41.387 42.059 -1.190 0.000 0.969 65 L HN 0.518 nan 8.230 nan 0.000 0.451 66 G N -0.734 107.907 108.800 -0.264 0.000 2.192 66 G HA2 -0.178 3.782 3.960 0.000 0.000 0.193 66 G HA3 -0.178 3.782 3.960 0.000 0.000 0.193 66 G C 0.356 175.214 174.900 -0.070 0.000 0.999 66 G CA -0.198 44.825 45.100 -0.128 0.000 0.659 66 G HN 0.413 nan 8.290 nan 0.000 0.503 67 A N 1.190 124.036 122.820 0.045 0.000 2.462 67 A HA 0.672 4.992 4.320 0.000 0.000 0.243 67 A C 0.807 178.486 177.584 0.157 0.000 1.076 67 A CA 0.328 52.451 52.037 0.143 0.000 0.773 67 A CB 0.101 19.345 19.000 0.406 0.000 1.010 67 A HN 0.507 nan 8.150 nan 0.000 0.493 68 M N 3.193 122.945 119.600 0.253 0.000 2.143 68 M HA 0.226 4.706 4.480 0.000 0.000 0.348 68 M C 0.449 176.856 176.300 0.179 0.000 1.375 68 M CA 0.179 55.590 55.300 0.184 0.000 1.124 68 M CB 0.254 32.965 32.600 0.184 0.000 1.669 68 M HN 0.886 nan 8.290 nan 0.000 0.469 69 T N -0.198 114.435 114.554 0.133 0.000 2.930 69 T HA 0.695 5.045 4.350 0.000 0.000 0.290 69 T C -0.552 174.213 174.700 0.108 0.000 1.052 69 T CA -0.874 61.299 62.100 0.121 0.000 1.017 69 T CB 2.223 71.159 68.868 0.114 0.000 1.137 69 T HN 0.530 nan 8.240 nan 0.000 0.511 70 S N 0.642 116.407 115.700 0.109 0.000 2.548 70 S HA 0.634 5.104 4.470 0.000 0.000 0.276 70 S C -1.346 173.326 174.600 0.120 0.000 1.129 70 S CA -0.819 57.459 58.200 0.129 0.000 0.931 70 S CB 1.289 64.587 63.200 0.163 0.000 1.068 70 S HN 0.886 nan 8.310 nan 0.000 0.480 71 M N 5.656 125.333 119.600 0.128 0.000 2.044 71 M HA 0.515 4.995 4.480 0.000 0.000 0.333 71 M C -1.591 174.796 176.300 0.146 0.000 1.004 71 M CA -0.458 54.910 55.300 0.113 0.000 0.954 71 M CB 0.859 33.516 32.600 0.094 0.000 1.468 71 M HN 0.352 nan 8.290 nan 0.000 0.414 72 V N 5.920 125.921 119.914 0.145 0.000 2.389 72 V HA 0.562 4.682 4.120 0.000 0.000 0.264 72 V C -0.047 176.150 176.094 0.172 0.000 1.049 72 V CA -0.236 62.184 62.300 0.199 0.000 0.932 72 V CB -0.432 31.470 31.823 0.132 0.000 1.011 72 V HN 1.057 nan 8.190 nan 0.000 0.475 73 C N 3.236 122.670 119.300 0.222 0.000 3.295 73 C HA 0.826 5.286 4.460 0.000 0.000 0.341 73 C C -1.015 174.103 174.990 0.213 0.000 1.418 73 C CA -1.374 57.734 59.018 0.150 0.000 1.240 73 C CB 1.754 29.524 27.740 0.050 0.000 1.562 73 C HN 0.830 nan 8.230 nan 0.000 0.457 74 K N 1.199 121.674 120.400 0.125 0.000 2.471 74 K HA 0.761 5.081 4.320 0.000 0.000 0.252 74 K C -0.467 176.180 176.600 0.077 0.000 0.938 74 K CA -0.391 55.978 56.287 0.136 0.000 0.796 74 K CB 1.930 34.488 32.500 0.097 0.000 1.161 74 K HN 1.329 nan 8.250 nan 0.000 0.425 75 V N 0.120 120.089 119.914 0.093 0.000 3.181 75 V HA 0.818 4.938 4.120 0.000 0.000 0.314 75 V C 0.256 176.411 176.094 0.102 0.000 1.173 75 V CA -0.860 61.493 62.300 0.088 0.000 1.052 75 V CB 1.322 33.206 31.823 0.101 0.000 1.123 75 V HN 0.756 nan 8.190 nan 0.000 0.454 76 G N -0.413 108.456 108.800 0.115 0.000 2.448 76 G HA2 0.399 4.359 3.960 0.000 0.000 0.285 76 G HA3 0.399 4.359 3.960 0.000 0.000 0.285 76 G C -0.218 174.732 174.900 0.083 0.000 1.176 76 G CA -0.714 44.441 45.100 0.091 0.000 0.852 76 G HN 0.915 nan 8.290 nan 0.000 0.530 77 K N 1.405 121.840 120.400 0.058 0.000 2.449 77 K HA 0.153 4.473 4.320 0.000 0.000 0.237 77 K C -0.615 176.000 176.600 0.025 0.000 1.265 77 K CA -0.128 56.187 56.287 0.045 0.000 1.193 77 K CB -0.335 32.187 32.500 0.037 0.000 1.515 77 K HN 0.719 nan 8.250 nan 0.000 0.259 78 D N -1.908 118.511 120.400 0.032 0.000 2.752 78 D HA 0.015 4.655 4.640 0.000 0.000 0.313 78 D C 0.757 177.066 176.300 0.016 0.000 1.225 78 D CA -0.678 53.311 54.000 -0.018 0.000 0.976 78 D CB 0.442 41.189 40.800 -0.087 0.000 1.443 78 D HN -0.021 nan 8.370 nan 0.000 0.515 79 S N -0.815 114.861 115.700 -0.040 0.000 2.383 79 S HA -0.149 4.321 4.470 0.000 0.000 0.227 79 S C 1.636 176.377 174.600 0.235 0.000 1.026 79 S CA 0.590 58.825 58.200 0.058 0.000 0.981 79 S CB -0.728 62.485 63.200 0.021 0.000 0.818 79 S HN 0.404 nan 8.310 nan 0.000 0.472 80 F N 2.808 122.830 119.950 0.119 0.000 2.161 80 F HA 0.153 4.680 4.527 0.000 0.000 0.300 80 F C 2.773 178.711 175.800 0.229 0.000 1.089 80 F CA 0.206 58.309 58.000 0.171 0.000 1.282 80 F CB -1.563 37.529 39.000 0.152 0.000 1.010 80 F HN 0.400 nan 8.300 nan 0.000 0.485 81 G N -0.249 108.762 108.800 0.351 0.000 2.394 81 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 81 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 81 G C 1.655 176.692 174.900 0.228 0.000 1.165 81 G CA 0.548 45.811 45.100 0.272 0.000 0.784 81 G HN 0.240 nan 8.290 nan 0.000 0.535 82 N N 1.527 120.334 118.700 0.179 0.000 2.120 82 N HA -0.075 4.665 4.740 0.000 0.000 0.188 82 N C 1.700 177.296 175.510 0.143 0.000 1.024 82 N CA 1.255 54.383 53.050 0.130 0.000 0.852 82 N CB -0.358 38.187 38.487 0.097 0.000 1.003 82 N HN 0.195 nan 8.380 nan 0.000 0.424 83 D N -0.017 120.507 120.400 0.206 0.000 2.123 83 D HA -0.159 4.482 4.640 0.000 0.000 0.196 83 D C 1.856 178.226 176.300 0.117 0.000 0.992 83 D CA 0.839 54.971 54.000 0.219 0.000 0.833 83 D CB -0.502 40.519 40.800 0.370 0.000 0.954 83 D HN 0.340 nan 8.370 nan 0.000 0.455 84 Y N 0.941 121.344 120.300 0.171 0.000 2.181 84 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 84 Y C 2.406 178.255 175.900 -0.084 0.000 1.146 84 Y CA 0.947 59.059 58.100 0.020 0.000 1.164 84 Y CB -0.099 38.437 38.460 0.126 0.000 0.982 84 Y HN -0.090 nan 8.280 nan 0.000 0.515 85 I N -0.143 120.530 120.570 0.172 0.000 2.208 85 I HA -0.309 3.861 4.170 0.000 0.000 0.245 85 I C 2.028 178.141 176.117 -0.007 0.000 1.097 85 I CA 1.348 62.697 61.300 0.083 0.000 1.363 85 I CB -0.275 37.763 38.000 0.064 0.000 1.051 85 I HN 0.254 nan 8.210 nan 0.000 0.413 86 E N 0.288 120.462 120.200 -0.044 0.000 2.152 86 E HA -0.199 4.151 4.350 0.000 0.000 0.192 86 E C 1.720 178.208 176.600 -0.187 0.000 0.983 86 E CA 0.933 57.285 56.400 -0.080 0.000 0.818 86 E CB -0.585 29.091 29.700 -0.039 0.000 0.758 86 E HN 0.481 nan 8.360 nan 0.000 0.467 87 N N 1.014 119.470 118.700 -0.407 0.000 2.120 87 N HA -0.114 4.626 4.740 0.000 0.000 0.188 87 N C 1.870 177.179 175.510 -0.336 0.000 1.024 87 N CA 0.891 53.550 53.050 -0.652 0.000 0.852 87 N CB -0.176 37.321 38.487 -1.651 0.000 1.003 87 N HN 0.076 nan 8.380 nan 0.000 0.424 88 L N 0.245 121.358 121.223 -0.184 0.000 2.017 88 L HA -0.122 4.218 4.340 0.000 0.000 0.208 88 L C 2.382 179.236 176.870 -0.027 0.000 1.073 88 L CA 1.219 56.040 54.840 -0.031 0.000 0.745 88 L CB -0.407 41.692 42.059 0.067 0.000 0.894 88 L HN 0.194 nan 8.230 nan 0.000 0.432 89 K N -0.094 120.285 120.400 -0.036 0.000 2.063 89 K HA -0.257 4.063 4.320 0.000 0.000 0.208 89 K C 2.389 178.975 176.600 -0.023 0.000 1.048 89 K CA 1.937 58.210 56.287 -0.023 0.000 0.928 89 K CB -0.397 32.088 32.500 -0.025 0.000 0.713 89 K HN 0.419 nan 8.250 nan 0.000 0.442 90 Q N 1.283 121.054 119.800 -0.048 0.000 2.437 90 Q HA -0.085 4.255 4.340 0.000 0.000 0.210 90 Q C 1.256 177.257 176.000 0.002 0.000 0.972 90 Q CA 1.388 57.173 55.803 -0.031 0.000 0.903 90 Q CB -0.545 28.159 28.738 -0.057 0.000 0.967 90 Q HN 0.334 nan 8.270 nan 0.000 0.486 91 N N -0.055 118.643 118.700 -0.004 0.000 2.251 91 N HA 0.188 4.928 4.740 0.000 0.000 0.217 91 N C 0.066 175.601 175.510 0.042 0.000 1.124 91 N CA 0.986 54.055 53.050 0.031 0.000 0.843 91 N CB 0.413 38.902 38.487 0.003 0.000 1.024 91 N HN 0.730 nan 8.380 nan 0.000 0.501 92 D N 0.660 121.081 120.400 0.035 0.000 2.751 92 D HA -0.192 4.448 4.640 0.000 0.000 0.233 92 D C 0.128 176.452 176.300 0.040 0.000 1.149 92 D CA 0.818 54.840 54.000 0.035 0.000 0.682 92 D CB -2.376 38.450 40.800 0.043 0.000 1.068 92 D HN 0.348 nan 8.370 nan 0.000 0.429 93 I N 0.160 120.753 120.570 0.038 0.000 2.392 93 I HA 0.444 4.615 4.170 0.000 0.000 0.295 93 I C 1.081 177.226 176.117 0.046 0.000 0.985 93 I CA -0.730 60.601 61.300 0.052 0.000 1.221 93 I CB 2.055 40.091 38.000 0.060 0.000 1.366 93 I HN 0.265 nan 8.210 nan 0.000 0.467 94 S N 2.898 118.634 115.700 0.059 0.000 2.531 94 S HA 0.112 4.582 4.470 0.000 0.000 0.279 94 S C 0.781 175.407 174.600 0.043 0.000 1.305 94 S CA -0.359 57.871 58.200 0.049 0.000 1.058 94 S CB 0.242 63.488 63.200 0.077 0.000 0.899 94 S HN 0.766 nan 8.310 nan 0.000 0.493 95 T N 1.776 116.327 114.554 -0.006 0.000 3.248 95 T HA 0.352 4.702 4.350 0.000 0.000 0.271 95 T C 0.623 175.239 174.700 -0.139 0.000 1.005 95 T CA -0.560 61.521 62.100 -0.033 0.000 0.902 95 T CB 0.175 69.027 68.868 -0.026 0.000 1.102 95 T HN 0.550 nan 8.240 nan 0.000 0.548 96 E N 0.792 120.872 120.200 -0.200 0.000 2.358 96 E HA 0.121 4.471 4.350 0.000 0.000 0.195 96 E C -0.171 175.844 176.600 -0.976 0.000 1.010 96 E CA 0.561 56.645 56.400 -0.526 0.000 0.856 96 E CB -0.050 29.323 29.700 -0.545 0.000 0.795 96 E HN 0.687 nan 8.360 nan 0.000 0.504 97 F N 0.029 119.873 119.950 -0.177 0.000 2.835 97 F HA 0.190 4.717 4.527 0.000 0.000 0.342 97 F C 0.152 175.797 175.800 -0.258 0.000 1.202 97 F CA -0.280 57.553 58.000 -0.279 0.000 1.240 97 F CB 0.687 39.666 39.000 -0.035 0.000 1.005 97 F HN -0.363 nan 8.300 nan 0.000 0.507 98 T N 0.862 115.308 114.554 -0.181 0.000 2.811 98 T HA 0.302 4.652 4.350 0.000 0.000 0.309 98 T C -0.399 174.209 174.700 -0.153 0.000 1.005 98 T CA -0.097 61.967 62.100 -0.061 0.000 0.955 98 T CB -0.108 68.752 68.868 -0.012 0.000 0.970 98 T HN 0.001 nan 8.240 nan 0.000 0.496 99 Y N 1.820 122.153 120.300 0.056 0.000 2.316 99 Y HA 0.436 4.986 4.550 0.000 0.000 0.324 99 Y C 1.123 177.047 175.900 0.039 0.000 1.267 99 Y CA -0.778 57.348 58.100 0.045 0.000 1.311 99 Y CB 0.945 39.438 38.460 0.055 0.000 1.267 99 Y HN 0.424 nan 8.280 nan 0.000 0.516 100 Q N 0.387 120.305 119.800 0.197 0.000 2.394 100 Q HA 0.503 4.843 4.340 0.000 0.000 0.273 100 Q C -1.104 174.964 176.000 0.113 0.000 1.089 100 Q CA -0.966 54.913 55.803 0.127 0.000 0.812 100 Q CB 2.696 31.486 28.738 0.086 0.000 1.353 100 Q HN 0.658 nan 8.270 nan 0.000 0.438 101 T N -0.017 114.587 114.554 0.083 0.000 2.893 101 T HA 0.312 4.662 4.350 0.000 0.000 0.293 101 T C 0.028 174.754 174.700 0.044 0.000 1.027 101 T CA -0.486 61.650 62.100 0.060 0.000 0.988 101 T CB 1.214 70.111 68.868 0.048 0.000 1.043 101 T HN 0.530 nan 8.240 nan 0.000 0.461 102 K N 1.618 122.037 120.400 0.033 0.000 2.418 102 K HA 0.081 4.402 4.320 0.000 0.000 0.195 102 K C 0.631 177.241 176.600 0.017 0.000 1.035 102 K CA 0.579 56.880 56.287 0.022 0.000 1.003 102 K CB 0.302 32.813 32.500 0.018 0.000 0.793 102 K HN 0.504 nan 8.250 nan 0.000 0.494 103 D N 0.111 120.523 120.400 0.020 0.000 2.349 103 D HA 0.075 4.715 4.640 0.000 0.000 0.215 103 D C -0.042 176.269 176.300 0.018 0.000 1.016 103 D CA 0.347 54.357 54.000 0.016 0.000 0.870 103 D CB 0.659 41.468 40.800 0.014 0.000 0.917 103 D HN 0.139 nan 8.370 nan 0.000 0.524 104 A N -0.068 122.767 122.820 0.025 0.000 2.606 104 A HA 0.699 5.019 4.320 0.000 0.000 0.293 104 A C -0.967 176.641 177.584 0.040 0.000 1.082 104 A CA -0.529 51.526 52.037 0.030 0.000 0.685 104 A CB 1.202 20.221 19.000 0.033 0.000 1.284 104 A HN 0.028 nan 8.150 nan 0.000 0.408 105 A N 0.524 123.372 122.820 0.047 0.000 2.386 105 A HA 0.591 4.911 4.320 0.000 0.000 0.248 105 A C 0.726 178.377 177.584 0.112 0.000 1.082 105 A CA 0.347 52.426 52.037 0.069 0.000 0.789 105 A CB -0.442 18.605 19.000 0.078 0.000 1.025 105 A HN 1.164 nan 8.150 nan 0.000 0.490 106 T N 1.609 116.262 114.554 0.165 0.000 2.939 106 T HA 0.271 4.621 4.350 0.000 0.000 0.312 106 T C 1.115 175.926 174.700 0.185 0.000 1.064 106 T CA 1.064 63.285 62.100 0.201 0.000 1.136 106 T CB 0.130 69.196 68.868 0.330 0.000 1.035 106 T HN 1.063 nan 8.240 nan 0.000 0.538 107 G N 2.753 111.618 108.800 0.109 0.000 2.321 107 G HA2 0.395 4.355 3.960 0.000 0.000 0.237 107 G HA3 0.395 4.355 3.960 0.000 0.000 0.237 107 G C 0.272 175.220 174.900 0.080 0.000 1.282 107 G CA -0.391 44.754 45.100 0.075 0.000 0.886 107 G HN 0.902 nan 8.290 nan 0.000 0.528 108 T N -1.267 113.323 114.554 0.061 0.000 2.900 108 T HA 0.725 5.075 4.350 0.000 0.000 0.295 108 T C -0.421 174.277 174.700 -0.003 0.000 1.044 108 T CA -0.416 61.697 62.100 0.021 0.000 0.995 108 T CB 2.337 71.245 68.868 0.066 0.000 1.072 108 T HN 1.287 nan 8.240 nan 0.000 0.473 109 A N 1.741 124.535 122.820 -0.043 0.000 2.310 109 A HA 0.688 5.008 4.320 0.000 0.000 0.304 109 A C 0.038 177.580 177.584 -0.069 0.000 1.231 109 A CA -0.786 51.223 52.037 -0.047 0.000 0.799 109 A CB 0.828 19.796 19.000 -0.053 0.000 1.162 109 A HN 0.759 nan 8.150 nan 0.000 0.486 110 S N 2.307 117.983 115.700 -0.041 0.000 2.411 110 S HA 0.499 4.969 4.470 0.000 0.000 0.294 110 S C -0.259 174.306 174.600 -0.058 0.000 1.115 110 S CA -0.050 58.127 58.200 -0.038 0.000 1.071 110 S CB -0.156 63.044 63.200 -0.001 0.000 0.967 110 S HN 0.551 nan 8.310 nan 0.000 0.488 111 I N 4.505 125.015 120.570 -0.101 0.000 2.389 111 I HA 0.453 4.623 4.170 0.000 0.000 0.288 111 I C -0.500 175.551 176.117 -0.110 0.000 0.999 111 I CA -0.378 60.856 61.300 -0.110 0.000 1.129 111 I CB 1.273 39.181 38.000 -0.154 0.000 1.288 111 I HN 0.425 nan 8.210 nan 0.000 0.444 112 I N 6.836 127.364 120.570 -0.071 0.000 2.378 112 I HA 0.498 4.668 4.170 0.000 0.000 0.291 112 I C -0.654 175.433 176.117 -0.051 0.000 0.992 112 I CA -0.880 60.383 61.300 -0.061 0.000 1.154 112 I CB 1.796 39.773 38.000 -0.040 0.000 1.315 112 I HN 0.186 nan 8.210 nan 0.000 0.448 113 V N 5.473 125.356 119.914 -0.052 0.000 2.588 113 V HA 0.392 4.512 4.120 0.000 0.000 0.304 113 V C -0.328 175.760 176.094 -0.010 0.000 1.042 113 V CA -0.772 61.513 62.300 -0.025 0.000 0.877 113 V CB 1.909 33.724 31.823 -0.013 0.000 0.996 113 V HN 0.872 nan 8.190 nan 0.000 0.425 114 N N 3.239 121.945 118.700 0.010 0.000 2.530 114 N HA 0.295 5.035 4.740 0.000 0.000 0.283 114 N C 0.571 176.115 175.510 0.057 0.000 1.238 114 N CA -0.778 52.292 53.050 0.032 0.000 0.971 114 N CB 0.299 38.802 38.487 0.026 0.000 1.195 114 N HN 0.319 nan 8.380 nan 0.000 0.583 115 N N 0.268 119.014 118.700 0.077 0.000 2.061 115 N HA -0.151 4.589 4.740 0.000 0.000 0.193 115 N C 0.881 176.419 175.510 0.046 0.000 1.030 115 N CA 1.212 54.307 53.050 0.075 0.000 0.856 115 N CB -0.243 38.283 38.487 0.066 0.000 1.023 115 N HN 0.616 nan 8.380 nan 0.000 0.424 116 E N -0.326 119.895 120.200 0.035 0.000 2.267 116 E HA -0.095 4.255 4.350 0.000 0.000 0.197 116 E C 1.203 177.815 176.600 0.021 0.000 0.998 116 E CA 1.026 57.441 56.400 0.023 0.000 0.830 116 E CB -0.241 29.470 29.700 0.018 0.000 0.751 116 E HN 0.534 nan 8.360 nan 0.000 0.491 117 G N 1.097 109.911 108.800 0.024 0.000 2.176 117 G HA2 -0.268 3.692 3.960 0.000 0.000 0.232 117 G HA3 -0.268 3.692 3.960 0.000 0.000 0.232 117 G C 0.158 175.065 174.900 0.012 0.000 0.986 117 G CA 0.125 45.237 45.100 0.020 0.000 0.643 117 G HN 0.297 nan 8.290 nan 0.000 0.522 118 Q N 0.341 120.148 119.800 0.010 0.000 2.368 118 Q HA 0.498 4.838 4.340 0.000 0.000 0.237 118 Q C 0.366 176.366 176.000 -0.001 0.000 0.987 118 Q CA 0.459 56.264 55.803 0.004 0.000 0.896 118 Q CB 0.727 29.467 28.738 0.004 0.000 1.241 118 Q HN 0.679 nan 8.270 nan 0.000 0.485 119 N N 0.026 118.722 118.700 -0.007 0.000 2.647 119 N HA 0.626 5.366 4.740 0.000 0.000 0.266 119 N C -1.384 174.117 175.510 -0.016 0.000 1.373 119 N CA -0.902 52.140 53.050 -0.014 0.000 0.807 119 N CB 1.172 39.647 38.487 -0.020 0.000 1.513 119 N HN 0.578 nan 8.380 nan 0.000 0.505 120 I N -2.222 118.335 120.570 -0.021 0.000 2.533 120 I HA 0.647 4.817 4.170 0.000 0.000 0.290 120 I C -1.198 174.902 176.117 -0.027 0.000 1.056 120 I CA -1.007 60.281 61.300 -0.020 0.000 1.057 120 I CB 1.681 39.671 38.000 -0.017 0.000 1.240 120 I HN 0.385 nan 8.210 nan 0.000 0.423 121 I N 5.730 126.285 120.570 -0.025 0.000 2.545 121 I HA 0.534 4.704 4.170 0.000 0.000 0.292 121 I C -0.859 175.245 176.117 -0.020 0.000 1.040 121 I CA -1.124 60.159 61.300 -0.029 0.000 1.068 121 I CB 2.513 40.495 38.000 -0.031 0.000 1.251 121 I HN 0.336 nan 8.210 nan 0.000 0.424 122 V N 6.927 126.830 119.914 -0.019 0.000 2.443 122 V HA 0.445 4.565 4.120 0.000 0.000 0.293 122 V C -0.189 175.901 176.094 -0.008 0.000 1.021 122 V CA -0.395 61.899 62.300 -0.010 0.000 0.848 122 V CB 1.827 33.647 31.823 -0.005 0.000 0.998 122 V HN 0.464 nan 8.190 nan 0.000 0.424 123 I N 5.111 125.678 120.570 -0.005 0.000 2.336 123 I HA 0.474 4.644 4.170 0.000 0.000 0.292 123 I C -0.401 175.721 176.117 0.009 0.000 0.991 123 I CA -0.580 60.719 61.300 -0.001 0.000 1.227 123 I CB 1.832 39.830 38.000 -0.003 0.000 1.366 123 I HN 0.273 nan 8.210 nan 0.000 0.466 124 V N 6.362 126.287 119.914 0.018 0.000 2.376 124 V HA 0.309 4.429 4.120 0.000 0.000 0.287 124 V C 0.955 177.067 176.094 0.030 0.000 1.015 124 V CA -0.408 61.907 62.300 0.026 0.000 0.834 124 V CB 1.213 33.058 31.823 0.037 0.000 1.001 124 V HN 0.971 nan 8.190 nan 0.000 0.428 125 A N 4.011 126.845 122.820 0.024 0.000 1.908 125 A HA 0.176 4.496 4.320 0.000 0.000 0.218 125 A C 1.949 179.552 177.584 0.032 0.000 1.181 125 A CA 2.002 54.053 52.037 0.023 0.000 0.627 125 A CB -0.888 18.122 19.000 0.018 0.000 0.818 125 A HN 1.853 nan 8.150 nan 0.000 0.445 126 G N -1.442 107.380 108.800 0.036 0.000 2.622 126 G HA2 -0.115 3.845 3.960 0.000 0.000 0.307 126 G HA3 -0.115 3.845 3.960 0.000 0.000 0.307 126 G C 1.461 176.385 174.900 0.040 0.000 1.226 126 G CA 1.942 47.070 45.100 0.045 0.000 0.997 126 G HN 1.615 nan 8.290 nan 0.000 0.551 127 A N -0.206 122.644 122.820 0.050 0.000 2.024 127 A HA -0.097 4.223 4.320 0.000 0.000 0.220 127 A C 2.201 179.806 177.584 0.036 0.000 1.164 127 A CA 2.332 54.397 52.037 0.047 0.000 0.643 127 A CB -0.572 18.466 19.000 0.063 0.000 0.806 127 A HN 0.682 nan 8.150 nan 0.000 0.451 128 N N 0.290 119.008 118.700 0.029 0.000 2.137 128 N HA -0.138 4.602 4.740 0.000 0.000 0.190 128 N C 1.449 176.972 175.510 0.021 0.000 1.017 128 N CA 1.476 54.539 53.050 0.020 0.000 0.859 128 N CB -0.396 38.098 38.487 0.012 0.000 1.002 128 N HN 0.555 nan 8.380 nan 0.000 0.428 129 L N 0.117 121.353 121.223 0.021 0.000 2.552 129 L HA -0.008 4.332 4.340 0.000 0.000 0.227 129 L C 1.131 178.008 176.870 0.011 0.000 1.146 129 L CA 0.179 55.030 54.840 0.018 0.000 0.858 129 L CB -0.046 42.024 42.059 0.019 0.000 0.969 129 L HN 0.048 nan 8.230 nan 0.000 0.451 130 L N -0.559 120.670 121.223 0.010 0.000 2.585 130 L HA 0.104 4.444 4.340 0.000 0.000 0.226 130 L C 0.606 177.462 176.870 -0.024 0.000 1.113 130 L CA 0.300 55.138 54.840 -0.002 0.000 0.876 130 L CB -0.253 41.809 42.059 0.006 0.000 1.072 130 L HN 0.087 nan 8.230 nan 0.000 0.468 131 L N 2.224 123.436 121.223 -0.018 0.000 2.654 131 L HA 0.081 4.421 4.340 0.000 0.000 0.271 131 L C 0.262 177.097 176.870 -0.057 0.000 1.169 131 L CA 0.255 55.066 54.840 -0.049 0.000 0.947 131 L CB -0.578 41.478 42.059 -0.006 0.000 1.232 131 L HN 0.430 nan 8.230 nan 0.000 0.486 132 N N 0.927 119.567 118.700 -0.100 0.000 2.531 132 N HA 0.400 5.140 4.740 0.000 0.000 0.290 132 N C 0.739 176.198 175.510 -0.086 0.000 1.257 132 N CA -0.179 52.825 53.050 -0.077 0.000 0.863 132 N CB 0.340 38.785 38.487 -0.070 0.000 1.320 132 N HN 0.435 nan 8.380 nan 0.000 0.538 133 T N -3.258 111.259 114.554 -0.062 0.000 2.915 133 T HA -0.066 4.284 4.350 0.000 0.000 0.269 133 T C 0.992 175.656 174.700 -0.061 0.000 1.071 133 T CA 0.898 62.964 62.100 -0.056 0.000 1.132 133 T CB -0.313 68.529 68.868 -0.044 0.000 0.878 133 T HN 0.474 nan 8.240 nan 0.000 0.479 134 E N 1.616 121.775 120.200 -0.068 0.000 2.106 134 E HA -0.123 4.227 4.350 0.000 0.000 0.192 134 E C 1.937 178.483 176.600 -0.091 0.000 0.984 134 E CA 1.226 57.589 56.400 -0.062 0.000 0.806 134 E CB -0.278 29.389 29.700 -0.055 0.000 0.750 134 E HN 0.627 nan 8.360 nan 0.000 0.458 135 D N 0.791 121.073 120.400 -0.195 0.000 2.144 135 D HA -0.104 4.536 4.640 0.000 0.000 0.200 135 D C 2.225 178.460 176.300 -0.108 0.000 0.978 135 D CA 0.588 54.367 54.000 -0.368 0.000 0.833 135 D CB -0.197 40.178 40.800 -0.708 0.000 0.961 135 D HN 0.181 nan 8.370 nan 0.000 0.470 136 L N 0.482 121.658 121.223 -0.080 0.000 2.056 136 L HA -0.085 4.255 4.340 0.000 0.000 0.207 136 L C 2.692 179.540 176.870 -0.037 0.000 1.078 136 L CA 0.770 55.583 54.840 -0.044 0.000 0.749 136 L CB -0.361 41.669 42.059 -0.048 0.000 0.901 136 L HN -0.018 nan 8.230 nan 0.000 0.433 137 R N 0.802 121.286 120.500 -0.028 0.000 2.091 137 R HA -0.187 4.153 4.340 0.000 0.000 0.238 137 R C 2.247 178.559 176.300 0.021 0.000 1.136 137 R CA 1.593 57.686 56.100 -0.012 0.000 0.959 137 R CB -0.224 30.070 30.300 -0.009 0.000 0.856 137 R HN 0.314 nan 8.270 nan 0.000 0.437 138 A N 0.473 123.337 122.820 0.072 0.000 2.015 138 A HA 0.013 4.333 4.320 0.000 0.000 0.219 138 A C 2.076 179.769 177.584 0.181 0.000 1.163 138 A CA 1.404 53.547 52.037 0.178 0.000 0.646 138 A CB -0.373 18.803 19.000 0.293 0.000 0.806 138 A HN 0.519 nan 8.150 nan 0.000 0.448 139 A N -0.753 122.072 122.820 0.007 0.000 2.278 139 A HA 0.536 4.856 4.320 0.000 0.000 0.212 139 A C 2.040 179.416 177.584 -0.347 0.000 1.213 139 A CA 1.002 52.758 52.037 -0.469 0.000 0.840 139 A CB -0.633 18.113 19.000 -0.423 0.000 0.866 139 A HN 0.819 nan 8.150 nan 0.000 0.489 140 A N 1.214 123.946 122.820 -0.146 0.000 1.940 140 A HA -0.253 4.067 4.320 0.000 0.000 0.219 140 A C 1.816 179.339 177.584 -0.102 0.000 1.176 140 A CA 1.940 53.916 52.037 -0.102 0.000 0.631 140 A CB -0.718 18.253 19.000 -0.048 0.000 0.814 140 A HN 0.710 nan 8.150 nan 0.000 0.446 141 N N -0.778 117.869 118.700 -0.089 0.000 2.188 141 N HA -0.072 4.668 4.740 0.000 0.000 0.184 141 N C 1.559 177.021 175.510 -0.080 0.000 1.018 141 N CA 1.057 54.076 53.050 -0.051 0.000 0.858 141 N CB -0.155 38.337 38.487 0.008 0.000 0.989 141 N HN 0.269 nan 8.380 nan 0.000 0.426 142 V N 1.215 121.022 119.914 -0.179 0.000 2.379 142 V HA -0.103 4.017 4.120 0.000 0.000 0.245 142 V C 1.828 177.840 176.094 -0.137 0.000 1.044 142 V CA 1.231 63.432 62.300 -0.164 0.000 1.036 142 V CB -0.250 31.386 31.823 -0.312 0.000 0.664 142 V HN 0.257 nan 8.190 nan 0.000 0.453 143 I N 0.755 121.222 120.570 -0.172 0.000 2.113 143 I HA -0.228 3.942 4.170 0.000 0.000 0.238 143 I C 2.725 178.800 176.117 -0.070 0.000 1.070 143 I CA 2.082 63.317 61.300 -0.108 0.000 1.332 143 I CB -0.572 37.365 38.000 -0.105 0.000 1.044 143 I HN 0.529 nan 8.210 nan 0.000 0.402 144 S N 0.812 116.472 115.700 -0.066 0.000 2.423 144 S HA -0.133 4.337 4.470 0.000 0.000 0.231 144 S C 1.957 176.534 174.600 -0.038 0.000 1.014 144 S CA 0.746 58.919 58.200 -0.045 0.000 0.965 144 S CB -0.419 62.758 63.200 -0.039 0.000 0.785 144 S HN 0.401 nan 8.310 nan 0.000 0.495 145 R N 1.240 121.717 120.500 -0.039 0.000 2.310 145 R HA 0.397 4.737 4.340 0.000 0.000 0.202 145 R C 0.926 177.205 176.300 -0.035 0.000 0.933 145 R CA 0.359 56.441 56.100 -0.030 0.000 1.054 145 R CB -0.180 30.110 30.300 -0.017 0.000 0.985 145 R HN 0.531 nan 8.270 nan 0.000 0.489 146 A N 1.150 123.947 122.820 -0.039 0.000 2.346 146 A HA 0.124 4.444 4.320 0.000 0.000 0.252 146 A C 0.676 178.227 177.584 -0.055 0.000 1.089 146 A CA -0.090 51.922 52.037 -0.041 0.000 0.797 146 A CB 0.621 19.604 19.000 -0.029 0.000 1.047 146 A HN 0.138 nan 8.150 nan 0.000 0.494 147 K N -0.662 119.692 120.400 -0.077 0.000 2.276 147 K HA 0.263 4.583 4.320 0.000 0.000 0.198 147 K C -0.113 176.454 176.600 -0.055 0.000 1.052 147 K CA 0.786 57.017 56.287 -0.093 0.000 0.984 147 K CB 0.593 32.988 32.500 -0.175 0.000 0.836 147 K HN 0.443 nan 8.250 nan 0.000 0.490 148 V N 1.149 121.042 119.914 -0.034 0.000 2.888 148 V HA 0.447 4.567 4.120 0.000 0.000 0.309 148 V C -1.862 174.244 176.094 0.019 0.000 1.114 148 V CA -0.863 61.439 62.300 0.003 0.000 0.940 148 V CB 2.087 33.923 31.823 0.022 0.000 1.021 148 V HN 0.040 nan 8.190 nan 0.000 0.426 149 M N 6.588 126.206 119.600 0.031 0.000 2.181 149 M HA 0.619 5.099 4.480 0.000 0.000 0.323 149 M C -1.635 174.705 176.300 0.066 0.000 1.004 149 M CA -0.425 54.898 55.300 0.037 0.000 0.941 149 M CB 1.448 34.060 32.600 0.020 0.000 1.579 149 M HN 0.556 nan 8.290 nan 0.000 0.427 150 V N 5.290 125.249 119.914 0.074 0.000 2.459 150 V HA 0.666 4.786 4.120 0.000 0.000 0.295 150 V C -0.115 176.044 176.094 0.109 0.000 1.029 150 V CA -0.683 61.673 62.300 0.094 0.000 0.874 150 V CB 1.324 33.194 31.823 0.079 0.000 0.985 150 V HN 1.030 nan 8.190 nan 0.000 0.438 151 C N 3.506 122.904 119.300 0.163 0.000 2.994 151 C HA 0.994 5.454 4.460 0.000 0.000 0.304 151 C C -0.529 174.585 174.990 0.206 0.000 1.273 151 C CA -0.540 58.601 59.018 0.204 0.000 1.537 151 C CB 1.419 29.306 27.740 0.246 0.000 2.001 151 C HN 0.851 nan 8.230 nan 0.000 0.471 152 Q N 0.431 120.320 119.800 0.149 0.000 3.323 152 Q HA 0.674 5.014 4.340 0.000 0.000 0.329 152 Q C -0.656 175.398 176.000 0.091 0.000 0.939 152 Q CA -0.693 55.113 55.803 0.004 0.000 0.828 152 Q CB 0.811 29.517 28.738 -0.053 0.000 1.564 152 Q HN 0.709 nan 8.270 nan 0.000 0.463 153 L N 1.010 122.220 121.223 -0.021 0.000 3.209 153 L HA 0.376 4.716 4.340 0.000 0.000 0.279 153 L C 0.082 176.949 176.870 -0.005 0.000 1.301 153 L CA 0.250 55.090 54.840 -0.001 0.000 1.004 153 L CB 0.467 42.479 42.059 -0.078 0.000 1.402 153 L HN 0.619 nan 8.230 nan 0.000 0.577 154 E N 0.678 120.884 120.200 0.010 0.000 2.498 154 E HA 0.186 4.536 4.350 0.000 0.000 0.203 154 E C 0.437 177.049 176.600 0.019 0.000 1.013 154 E CA -0.038 56.367 56.400 0.007 0.000 0.927 154 E CB 0.848 30.548 29.700 0.000 0.000 1.012 154 E HN 0.547 nan 8.360 nan 0.000 0.482 155 I N -3.111 117.480 120.570 0.036 0.000 3.573 155 I HA 0.418 4.588 4.170 0.000 0.000 0.285 155 I C 0.165 176.310 176.117 0.047 0.000 1.203 155 I CA -1.034 60.289 61.300 0.038 0.000 1.033 155 I CB 1.253 39.279 38.000 0.043 0.000 1.348 155 I HN -0.376 nan 8.210 nan 0.000 0.525 156 T N 3.112 117.692 114.554 0.044 0.000 2.829 156 T HA 0.115 4.465 4.350 0.000 0.000 0.293 156 T C -1.821 172.930 174.700 0.086 0.000 0.970 156 T CA -0.316 61.815 62.100 0.051 0.000 1.168 156 T CB 0.553 69.442 68.868 0.034 0.000 0.911 156 T HN 0.499 nan 8.240 nan 0.000 0.535 157 P HA -0.144 nan 4.420 nan 0.000 0.216 157 P C 1.441 178.890 177.300 0.247 0.000 1.150 157 P CA 0.891 64.130 63.100 0.231 0.000 0.843 157 P CB 0.077 31.905 31.700 0.214 0.000 0.787 158 A N -1.012 121.880 122.820 0.120 0.000 1.940 158 A HA -0.202 4.118 4.320 0.000 0.000 0.219 158 A C 2.212 179.796 177.584 0.000 0.000 1.176 158 A CA 2.404 54.461 52.037 0.033 0.000 0.631 158 A CB -1.845 17.163 19.000 0.015 0.000 0.814 158 A HN 0.176 nan 8.150 nan 0.000 0.446 159 T N -0.286 114.284 114.554 0.026 0.000 2.777 159 T HA -0.081 4.269 4.350 0.000 0.000 0.266 159 T C 2.243 176.953 174.700 0.017 0.000 1.040 159 T CA 1.600 63.705 62.100 0.009 0.000 1.141 159 T CB -0.250 68.626 68.868 0.014 0.000 0.868 159 T HN 0.471 nan 8.240 nan 0.000 0.444 160 S N 1.178 116.922 115.700 0.073 0.000 2.383 160 S HA 0.016 4.486 4.470 0.000 0.000 0.227 160 S C 1.910 176.500 174.600 -0.018 0.000 1.026 160 S CA 0.534 58.794 58.200 0.100 0.000 0.981 160 S CB -0.398 62.953 63.200 0.252 0.000 0.818 160 S HN 0.224 nan 8.310 nan 0.000 0.472 161 L N 1.953 123.098 121.223 -0.130 0.000 2.093 161 L HA -0.042 4.298 4.340 0.000 0.000 0.208 161 L C 2.246 178.962 176.870 -0.258 0.000 1.085 161 L CA 1.750 56.323 54.840 -0.445 0.000 0.755 161 L CB -0.532 41.122 42.059 -0.674 0.000 0.904 161 L HN 0.156 nan 8.230 nan 0.000 0.435 162 E N -0.340 119.769 120.200 -0.152 0.000 2.106 162 E HA -0.126 4.224 4.350 0.000 0.000 0.192 162 E C 2.066 178.614 176.600 -0.087 0.000 0.984 162 E CA 1.315 57.650 56.400 -0.109 0.000 0.806 162 E CB -0.235 29.419 29.700 -0.076 0.000 0.750 162 E HN 0.498 nan 8.360 nan 0.000 0.458 163 A N 0.577 123.356 122.820 -0.068 0.000 1.873 163 A HA -0.102 4.219 4.320 0.000 0.000 0.215 163 A C 2.310 179.860 177.584 -0.057 0.000 1.186 163 A CA 1.376 53.384 52.037 -0.048 0.000 0.616 163 A CB -0.807 18.184 19.000 -0.015 0.000 0.823 163 A HN 0.340 nan 8.150 nan 0.000 0.442 164 L N -0.563 120.611 121.223 -0.083 0.000 2.079 164 L HA -0.189 4.151 4.340 0.000 0.000 0.210 164 L C 2.743 179.558 176.870 -0.091 0.000 1.081 164 L CA 1.754 56.539 54.840 -0.091 0.000 0.752 164 L CB -0.812 41.146 42.059 -0.170 0.000 0.896 164 L HN 0.361 nan 8.230 nan 0.000 0.433 165 T N -0.614 113.872 114.554 -0.112 0.000 2.777 165 T HA -0.148 4.202 4.350 0.000 0.000 0.266 165 T C 1.938 176.598 174.700 -0.067 0.000 1.040 165 T CA 1.277 63.319 62.100 -0.097 0.000 1.141 165 T CB -0.105 68.697 68.868 -0.110 0.000 0.868 165 T HN 0.219 nan 8.240 nan 0.000 0.444 166 M N 0.878 120.440 119.600 -0.062 0.000 2.086 166 M HA -0.032 4.448 4.480 0.000 0.000 0.261 166 M C 2.842 179.116 176.300 -0.043 0.000 1.067 166 M CA 1.586 56.855 55.300 -0.051 0.000 1.116 166 M CB -0.476 32.092 32.600 -0.053 0.000 1.348 166 M HN 0.300 nan 8.290 nan 0.000 0.407 167 A N 0.462 123.258 122.820 -0.040 0.000 1.865 167 A HA -0.236 4.084 4.320 0.000 0.000 0.217 167 A C 2.096 179.665 177.584 -0.024 0.000 1.191 167 A CA 2.197 54.216 52.037 -0.029 0.000 0.623 167 A CB -0.692 18.297 19.000 -0.018 0.000 0.826 167 A HN 0.381 nan 8.150 nan 0.000 0.444 168 R N 0.131 120.616 120.500 -0.026 0.000 2.083 168 R HA -0.086 4.254 4.340 0.000 0.000 0.237 168 R C 2.193 178.480 176.300 -0.022 0.000 1.137 168 R CA 2.026 58.114 56.100 -0.021 0.000 0.951 168 R CB -0.638 29.645 30.300 -0.027 0.000 0.851 168 R HN 0.568 nan 8.270 nan 0.000 0.434 169 R N -0.519 119.964 120.500 -0.029 0.000 2.120 169 R HA -0.001 4.339 4.340 0.000 0.000 0.234 169 R C 1.519 177.805 176.300 -0.023 0.000 1.123 169 R CA 1.608 57.692 56.100 -0.026 0.000 0.975 169 R CB -0.072 30.209 30.300 -0.031 0.000 0.866 169 R HN 0.169 nan 8.270 nan 0.000 0.446 170 S N -0.729 114.956 115.700 -0.024 0.000 2.605 170 S HA 0.150 4.621 4.470 0.000 0.000 0.217 170 S C 0.935 175.522 174.600 -0.020 0.000 0.958 170 S CA 0.466 58.652 58.200 -0.023 0.000 0.919 170 S CB 1.189 64.373 63.200 -0.028 0.000 0.780 170 S HN 0.630 nan 8.310 nan 0.000 0.507 171 G N 1.354 110.144 108.800 -0.017 0.000 2.160 171 G HA2 -0.249 3.711 3.960 0.000 0.000 0.251 171 G HA3 -0.249 3.711 3.960 0.000 0.000 0.251 171 G C 0.071 174.962 174.900 -0.014 0.000 1.008 171 G CA 0.118 45.210 45.100 -0.013 0.000 0.724 171 G HN 0.432 nan 8.290 nan 0.000 0.514 172 V N 0.401 120.306 119.914 -0.015 0.000 2.498 172 V HA 0.361 4.482 4.120 0.000 0.000 0.279 172 V C 1.024 177.118 176.094 -0.000 0.000 1.048 172 V CA -0.475 61.816 62.300 -0.014 0.000 0.967 172 V CB 1.608 33.419 31.823 -0.019 0.000 0.988 172 V HN 0.427 nan 8.190 nan 0.000 0.473 173 K N 3.386 123.789 120.400 0.004 0.000 2.447 173 K HA 0.156 4.477 4.320 0.000 0.000 0.281 173 K C 0.266 176.891 176.600 0.041 0.000 1.031 173 K CA -0.006 56.296 56.287 0.024 0.000 1.019 173 K CB 0.368 32.883 32.500 0.024 0.000 0.918 173 K HN 0.926 nan 8.250 nan 0.000 0.476 174 T N 2.599 117.189 114.554 0.060 0.000 2.767 174 T HA 0.398 4.748 4.350 0.000 0.000 0.284 174 T C -0.687 174.089 174.700 0.127 0.000 0.973 174 T CA -1.059 61.091 62.100 0.084 0.000 0.996 174 T CB 1.079 69.990 68.868 0.072 0.000 0.927 174 T HN 0.337 nan 8.240 nan 0.000 0.456 175 L N 4.742 126.047 121.223 0.136 0.000 2.318 175 L HA 0.673 5.013 4.340 0.000 0.000 0.277 175 L C -1.522 175.466 176.870 0.197 0.000 1.008 175 L CA -1.376 53.554 54.840 0.150 0.000 0.846 175 L CB 0.569 42.693 42.059 0.108 0.000 1.220 175 L HN 0.763 nan 8.230 nan 0.000 0.423 176 F N 5.408 125.368 119.950 0.016 0.000 2.427 176 F HA 0.452 4.979 4.527 -0.000 0.000 0.346 176 F C -0.063 175.604 175.800 -0.222 0.000 1.120 176 F CA -0.691 57.271 58.000 -0.063 0.000 1.033 176 F CB 1.022 40.015 39.000 -0.012 0.000 1.126 176 F HN 0.656 nan 8.300 nan 0.000 0.462 177 N N 8.181 126.424 118.700 -0.761 0.000 2.706 177 N HA 0.286 5.026 4.740 0.000 0.000 0.240 177 N C -2.691 172.154 175.510 -1.108 0.000 1.039 177 N CA -1.906 50.682 53.050 -0.769 0.000 0.888 177 N CB 1.380 39.675 38.487 -0.321 0.000 1.128 177 N HN 0.273 nan 8.380 nan 0.000 0.512 178 P HA 0.131 nan 4.420 nan 0.000 0.241 178 P C -1.264 175.746 177.300 -0.483 0.000 1.760 178 P CA 0.031 62.508 63.100 -1.040 0.000 1.081 178 P CB -0.094 31.097 31.700 -0.849 0.000 1.975 179 A N 4.260 126.860 122.820 -0.366 0.000 2.374 179 A HA 0.698 5.018 4.320 0.000 0.000 0.305 179 A C -2.747 174.757 177.584 -0.134 0.000 1.053 179 A CA -2.111 49.802 52.037 -0.207 0.000 0.726 179 A CB 1.535 20.428 19.000 -0.179 0.000 1.229 179 A HN 0.110 nan 8.150 nan 0.000 0.431 180 P HA 0.328 nan 4.420 nan 0.000 0.271 180 P C 0.141 177.382 177.300 -0.097 0.000 1.218 180 P CA 0.172 63.222 63.100 -0.083 0.000 0.780 180 P CB 0.946 32.616 31.700 -0.051 0.000 0.901 181 A N 3.628 126.396 122.820 -0.087 0.000 2.425 181 A HA 0.413 4.733 4.320 0.000 0.000 0.242 181 A C 0.232 177.788 177.584 -0.047 0.000 1.077 181 A CA -0.145 51.846 52.037 -0.076 0.000 0.781 181 A CB -0.401 18.574 19.000 -0.041 0.000 1.020 181 A HN 0.520 nan 8.150 nan 0.000 0.494 182 I N 1.162 121.708 120.570 -0.039 0.000 2.466 182 I HA 0.340 4.510 4.170 0.000 0.000 0.289 182 I C 1.205 177.335 176.117 0.021 0.000 1.026 182 I CA -0.478 60.812 61.300 -0.018 0.000 1.078 182 I CB 2.020 39.995 38.000 -0.042 0.000 1.249 182 I HN 0.802 nan 8.210 nan 0.000 0.429 183 A N 4.531 127.370 122.820 0.032 0.000 1.873 183 A HA -0.195 4.125 4.320 0.000 0.000 0.218 183 A C 1.180 178.811 177.584 0.079 0.000 1.193 183 A CA 2.042 54.111 52.037 0.053 0.000 0.629 183 A CB -0.385 18.638 19.000 0.038 0.000 0.826 183 A HN 0.834 nan 8.150 nan 0.000 0.447 184 D N -0.456 119.986 120.400 0.071 0.000 3.179 184 D HA 0.316 4.956 4.640 0.000 0.000 0.267 184 D C -0.196 176.173 176.300 0.115 0.000 1.348 184 D CA -0.618 53.438 54.000 0.093 0.000 0.897 184 D CB -0.588 40.255 40.800 0.072 0.000 1.062 184 D HN 0.140 nan 8.370 nan 0.000 0.494 185 L N 1.391 122.690 121.223 0.127 0.000 2.540 185 L HA 0.078 4.419 4.340 0.000 0.000 0.276 185 L C 0.361 177.378 176.870 0.244 0.000 1.212 185 L CA 0.190 55.090 54.840 0.100 0.000 0.893 185 L CB 0.283 42.358 42.059 0.027 0.000 1.138 185 L HN 0.096 nan 8.230 nan 0.000 0.491 186 D N 6.901 127.510 120.400 0.348 0.000 2.487 186 D HA -0.001 4.639 4.640 0.000 0.000 0.243 186 D C -1.654 174.845 176.300 0.332 0.000 1.154 186 D CA -1.413 52.781 54.000 0.323 0.000 0.876 186 D CB 1.224 42.190 40.800 0.278 0.000 1.161 186 D HN 0.381 nan 8.370 nan 0.000 0.478 187 P HA -0.197 nan 4.420 nan 0.000 0.218 187 P C 1.022 178.484 177.300 0.271 0.000 1.147 187 P CA 1.350 64.669 63.100 0.365 0.000 0.827 187 P CB 0.154 31.971 31.700 0.195 0.000 0.778 188 Q N -2.573 117.269 119.800 0.069 0.000 2.291 188 Q HA -0.106 4.234 4.340 0.000 0.000 0.205 188 Q C 1.678 177.585 176.000 -0.155 0.000 0.970 188 Q CA 0.815 56.577 55.803 -0.068 0.000 0.876 188 Q CB -0.433 28.191 28.738 -0.191 0.000 0.935 188 Q HN 0.283 nan 8.270 nan 0.000 0.455 189 F N -1.017 118.828 119.950 -0.174 0.000 2.216 189 F HA -0.237 4.290 4.527 0.000 0.000 0.300 189 F C 1.491 177.174 175.800 -0.196 0.000 1.085 189 F CA 1.220 59.005 58.000 -0.358 0.000 1.326 189 F CB -0.264 38.453 39.000 -0.472 0.000 1.027 189 F HN 0.143 nan 8.300 nan 0.000 0.497 190 Y N -0.491 119.959 120.300 0.250 0.000 2.176 190 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 190 Y C 2.838 178.786 175.900 0.079 0.000 1.122 190 Y CA 1.414 59.598 58.100 0.139 0.000 1.128 190 Y CB -1.563 36.890 38.460 -0.011 0.000 1.005 190 Y HN 0.032 nan 8.280 nan 0.000 0.509 191 T N -1.360 113.316 114.554 0.203 0.000 2.929 191 T HA -0.117 4.233 4.350 0.000 0.000 0.271 191 T C 1.437 176.172 174.700 0.058 0.000 1.085 191 T CA 1.096 63.257 62.100 0.101 0.000 1.125 191 T CB -0.622 68.282 68.868 0.061 0.000 0.874 191 T HN 0.330 nan 8.240 nan 0.000 0.494 192 L N 0.959 122.198 121.223 0.028 0.000 2.611 192 L HA 0.299 4.639 4.340 0.000 0.000 0.229 192 L C 0.428 177.324 176.870 0.043 0.000 1.137 192 L CA -0.250 54.583 54.840 -0.012 0.000 0.901 192 L CB 0.146 42.137 42.059 -0.112 0.000 1.098 192 L HN 0.128 nan 8.230 nan 0.000 0.456 193 S N -0.067 115.715 115.700 0.138 0.000 2.422 193 S HA 0.164 4.634 4.470 0.000 0.000 0.308 193 S C 0.336 175.059 174.600 0.205 0.000 1.097 193 S CA -0.710 57.632 58.200 0.236 0.000 1.099 193 S CB 1.466 64.959 63.200 0.488 0.000 0.976 193 S HN 0.123 nan 8.310 nan 0.000 0.471 194 D N 1.703 122.202 120.400 0.164 0.000 2.137 194 D HA 0.012 4.652 4.640 0.000 0.000 0.202 194 D C 0.289 176.686 176.300 0.162 0.000 0.970 194 D CA 1.120 55.200 54.000 0.133 0.000 0.837 194 D CB 0.313 41.169 40.800 0.094 0.000 0.981 194 D HN 0.291 nan 8.370 nan 0.000 0.475 195 V N 1.304 121.335 119.914 0.195 0.000 2.443 195 V HA 0.263 4.383 4.120 0.000 0.000 0.293 195 V C -0.956 175.316 176.094 0.297 0.000 1.021 195 V CA -0.864 61.566 62.300 0.215 0.000 0.848 195 V CB 1.981 33.901 31.823 0.162 0.000 0.998 195 V HN -0.058 nan 8.190 nan 0.000 0.424 196 F N 5.623 125.668 119.950 0.160 0.000 2.347 196 F HA 0.631 5.158 4.527 -0.000 0.000 0.366 196 F C -0.137 175.722 175.800 0.098 0.000 1.107 196 F CA -0.349 57.753 58.000 0.170 0.000 1.058 196 F CB 0.811 39.947 39.000 0.226 0.000 1.236 196 F HN 0.583 nan 8.300 nan 0.000 0.456 197 C N 7.598 126.849 119.300 -0.081 0.000 2.345 197 C HA 0.851 5.311 4.460 0.000 0.000 0.323 197 C C -0.225 174.640 174.990 -0.207 0.000 1.276 197 C CA -0.521 58.477 59.018 -0.034 0.000 1.543 197 C CB -1.021 26.759 27.740 0.066 0.000 2.211 197 C HN 1.073 nan 8.230 nan 0.000 0.493 198 C N 5.286 124.520 119.300 -0.111 0.000 3.323 198 C HA 0.841 5.301 4.460 0.000 0.000 0.324 198 C C -0.419 174.511 174.990 -0.101 0.000 1.428 198 C CA -0.735 58.197 59.018 -0.143 0.000 1.368 198 C CB 1.062 28.724 27.740 -0.130 0.000 1.731 198 C HN 0.954 nan 8.230 nan 0.000 0.455 199 N N 0.203 118.842 118.700 -0.101 0.000 2.538 199 N HA 0.349 5.089 4.740 0.000 0.000 0.292 199 N C 0.462 175.938 175.510 -0.057 0.000 1.262 199 N CA -0.353 52.640 53.050 -0.094 0.000 0.976 199 N CB 0.051 38.481 38.487 -0.095 0.000 1.161 199 N HN 0.810 nan 8.380 nan 0.000 0.598 200 E N -0.618 119.548 120.200 -0.056 0.000 2.049 200 E HA -0.222 4.128 4.350 0.000 0.000 0.198 200 E C 1.625 178.211 176.600 -0.024 0.000 1.007 200 E CA 2.305 58.682 56.400 -0.038 0.000 0.809 200 E CB -0.233 29.442 29.700 -0.041 0.000 0.749 200 E HN 0.768 nan 8.360 nan 0.000 0.450 201 S N 0.662 116.345 115.700 -0.028 0.000 2.428 201 S HA -0.116 4.354 4.470 0.000 0.000 0.230 201 S C 1.781 176.372 174.600 -0.015 0.000 1.014 201 S CA 0.807 58.994 58.200 -0.020 0.000 0.957 201 S CB -0.140 63.046 63.200 -0.023 0.000 0.784 201 S HN 0.202 nan 8.310 nan 0.000 0.499 202 E N 1.961 122.147 120.200 -0.024 0.000 2.072 202 E HA 0.032 4.382 4.350 0.000 0.000 0.191 202 E C 2.397 179.012 176.600 0.025 0.000 0.985 202 E CA 1.004 57.393 56.400 -0.019 0.000 0.801 202 E CB -0.416 29.247 29.700 -0.062 0.000 0.750 202 E HN 0.675 nan 8.360 nan 0.000 0.452 203 A N 1.364 124.203 122.820 0.032 0.000 1.933 203 A HA -0.238 4.082 4.320 0.000 0.000 0.218 203 A C 1.897 179.507 177.584 0.044 0.000 1.175 203 A CA 1.406 53.480 52.037 0.063 0.000 0.628 203 A CB -0.376 18.652 19.000 0.047 0.000 0.814 203 A HN 0.166 nan 8.150 nan 0.000 0.444 204 E N -0.423 119.789 120.200 0.020 0.000 2.106 204 E HA -0.136 4.214 4.350 0.000 0.000 0.192 204 E C 1.828 178.441 176.600 0.022 0.000 0.984 204 E CA 1.134 57.542 56.400 0.014 0.000 0.806 204 E CB -0.257 29.444 29.700 0.002 0.000 0.750 204 E HN 0.711 nan 8.360 nan 0.000 0.458 205 I N 0.816 121.401 120.570 0.025 0.000 2.252 205 I HA -0.245 3.925 4.170 0.000 0.000 0.245 205 I C 2.140 178.290 176.117 0.055 0.000 1.102 205 I CA 0.973 62.291 61.300 0.030 0.000 1.385 205 I CB -0.027 37.984 38.000 0.019 0.000 1.064 205 I HN 0.082 nan 8.210 nan 0.000 0.414 206 L N -0.212 121.061 121.223 0.084 0.000 2.395 206 L HA -0.063 4.277 4.340 0.000 0.000 0.218 206 L C 2.210 179.139 176.870 0.099 0.000 1.130 206 L CA 1.357 56.279 54.840 0.137 0.000 0.826 206 L CB -0.525 41.677 42.059 0.238 0.000 0.941 206 L HN 0.406 nan 8.230 nan 0.000 0.451 207 T N -5.822 108.767 114.554 0.057 0.000 2.958 207 T HA 0.244 4.594 4.350 0.000 0.000 0.256 207 T C 1.448 176.155 174.700 0.012 0.000 0.983 207 T CA 0.497 62.610 62.100 0.022 0.000 0.924 207 T CB 0.863 69.737 68.868 0.010 0.000 1.136 207 T HN 0.268 nan 8.240 nan 0.000 0.506 208 G N 1.720 110.531 108.800 0.017 0.000 2.153 208 G HA2 -0.207 3.753 3.960 0.000 0.000 0.252 208 G HA3 -0.207 3.753 3.960 0.000 0.000 0.252 208 G C -0.105 174.797 174.900 0.002 0.000 0.994 208 G CA 0.599 45.704 45.100 0.010 0.000 0.698 208 G HN 0.678 nan 8.290 nan 0.000 0.521 209 L N 0.139 121.363 121.223 0.001 0.000 2.352 209 L HA 0.572 4.912 4.340 0.000 0.000 0.269 209 L C 0.884 177.751 176.870 -0.005 0.000 1.034 209 L CA -0.968 53.869 54.840 -0.004 0.000 0.806 209 L CB 1.480 43.534 42.059 -0.008 0.000 1.244 209 L HN 0.047 nan 8.230 nan 0.000 0.447 210 T N 1.370 115.918 114.554 -0.008 0.000 2.870 210 T HA 0.293 4.643 4.350 0.000 0.000 0.300 210 T C -0.173 174.518 174.700 -0.015 0.000 0.989 210 T CA -0.170 61.924 62.100 -0.011 0.000 1.139 210 T CB 0.785 69.646 68.868 -0.012 0.000 0.920 210 T HN 0.240 nan 8.240 nan 0.000 0.537 211 V N 3.411 123.315 119.914 -0.017 0.000 2.385 211 V HA 0.525 4.645 4.120 0.000 0.000 0.277 211 V C 0.881 176.958 176.094 -0.029 0.000 1.012 211 V CA -0.494 61.791 62.300 -0.024 0.000 0.832 211 V CB 1.185 32.996 31.823 -0.019 0.000 1.028 211 V HN 1.093 nan 8.190 nan 0.000 0.436 212 G N 2.954 111.735 108.800 -0.033 0.000 2.780 212 G HA2 0.271 4.231 3.960 0.000 0.000 0.198 212 G HA3 0.271 4.231 3.960 0.000 0.000 0.198 212 G C 0.500 175.374 174.900 -0.043 0.000 1.067 212 G CA 0.810 45.890 45.100 -0.033 0.000 0.765 212 G HN 0.713 nan 8.290 nan 0.000 0.581 213 S N -0.990 114.677 115.700 -0.055 0.000 2.709 213 S HA 0.709 5.179 4.470 0.000 0.000 0.302 213 S C 1.265 175.792 174.600 -0.123 0.000 1.127 213 S CA 0.304 58.458 58.200 -0.077 0.000 0.905 213 S CB 1.621 64.784 63.200 -0.060 0.000 1.151 213 S HN 0.573 nan 8.310 nan 0.000 0.510 214 A N 0.584 123.280 122.820 -0.206 0.000 1.972 214 A HA 0.249 4.569 4.320 0.000 0.000 0.219 214 A C 2.269 179.742 177.584 -0.185 0.000 1.169 214 A CA 1.757 53.597 52.037 -0.327 0.000 0.635 214 A CB -1.638 16.907 19.000 -0.758 0.000 0.810 214 A HN 1.334 nan 8.150 nan 0.000 0.446 215 A N 0.379 123.126 122.820 -0.122 0.000 1.858 215 A HA -0.205 4.115 4.320 0.000 0.000 0.216 215 A C 1.800 179.350 177.584 -0.057 0.000 1.190 215 A CA 1.883 53.878 52.037 -0.069 0.000 0.617 215 A CB -0.630 18.343 19.000 -0.046 0.000 0.827 215 A HN 0.465 nan 8.150 nan 0.000 0.443 216 D N 0.148 120.515 120.400 -0.056 0.000 2.104 216 D HA -0.093 4.547 4.640 0.000 0.000 0.194 216 D C 2.220 178.496 176.300 -0.041 0.000 0.994 216 D CA 1.643 55.618 54.000 -0.042 0.000 0.830 216 D CB -0.575 40.202 40.800 -0.038 0.000 0.959 216 D HN 0.427 nan 8.370 nan 0.000 0.452 217 A N 0.885 123.671 122.820 -0.056 0.000 1.978 217 A HA -0.063 4.257 4.320 0.000 0.000 0.220 217 A C 2.358 179.922 177.584 -0.033 0.000 1.170 217 A CA 2.125 54.135 52.037 -0.046 0.000 0.636 217 A CB -1.034 17.925 19.000 -0.068 0.000 0.810 217 A HN 0.314 nan 8.150 nan 0.000 0.448 218 G N -0.511 108.264 108.800 -0.042 0.000 2.421 218 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 218 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 218 G C 1.438 176.326 174.900 -0.020 0.000 1.171 218 G CA 0.940 46.024 45.100 -0.026 0.000 0.775 218 G HN 0.641 nan 8.290 nan 0.000 0.543 219 E N 0.456 120.642 120.200 -0.023 0.000 2.077 219 E HA -0.075 4.275 4.350 0.000 0.000 0.193 219 E C 2.929 179.516 176.600 -0.022 0.000 0.989 219 E CA 0.832 57.219 56.400 -0.022 0.000 0.800 219 E CB -0.170 29.517 29.700 -0.022 0.000 0.746 219 E HN 0.411 nan 8.360 nan 0.000 0.452 220 A N 1.353 124.162 122.820 -0.018 0.000 1.898 220 A HA -0.045 4.275 4.320 0.000 0.000 0.216 220 A C 2.376 179.953 177.584 -0.010 0.000 1.181 220 A CA 1.495 53.525 52.037 -0.012 0.000 0.620 220 A CB -0.535 18.465 19.000 0.000 0.000 0.819 220 A HN 0.285 nan 8.150 nan 0.000 0.442 221 A N -0.729 122.091 122.820 -0.001 0.000 1.972 221 A HA -0.015 4.305 4.320 0.000 0.000 0.219 221 A C 2.075 179.647 177.584 -0.021 0.000 1.169 221 A CA 1.674 53.715 52.037 0.007 0.000 0.635 221 A CB -0.491 18.523 19.000 0.024 0.000 0.810 221 A HN 0.533 nan 8.150 nan 0.000 0.446 222 L N -0.239 120.968 121.223 -0.026 0.000 2.056 222 L HA -0.073 4.267 4.340 0.000 0.000 0.207 222 L C 2.429 179.260 176.870 -0.065 0.000 1.078 222 L CA 1.660 56.477 54.840 -0.037 0.000 0.749 222 L CB -0.551 41.491 42.059 -0.029 0.000 0.901 222 L HN 0.159 nan 8.230 nan 0.000 0.433 223 V N -0.322 119.550 119.914 -0.070 0.000 2.392 223 V HA -0.324 3.796 4.120 0.000 0.000 0.249 223 V C 2.511 178.501 176.094 -0.174 0.000 1.059 223 V CA 2.061 64.299 62.300 -0.103 0.000 1.051 223 V CB -0.565 31.207 31.823 -0.084 0.000 0.658 223 V HN 0.419 nan 8.190 nan 0.000 0.455 224 L N -1.281 119.838 121.223 -0.174 0.000 2.109 224 L HA -0.114 4.227 4.340 0.000 0.000 0.207 224 L C 2.375 179.083 176.870 -0.269 0.000 1.086 224 L CA 0.932 55.595 54.840 -0.294 0.000 0.760 224 L CB -0.494 41.406 42.059 -0.266 0.000 0.910 224 L HN 0.300 nan 8.230 nan 0.000 0.437 225 L N 0.186 121.320 121.223 -0.148 0.000 2.083 225 L HA -0.189 4.151 4.340 0.000 0.000 0.209 225 L C 2.352 179.163 176.870 -0.099 0.000 1.083 225 L CA 1.779 56.565 54.840 -0.092 0.000 0.752 225 L CB -0.383 41.651 42.059 -0.042 0.000 0.899 225 L HN 0.091 nan 8.230 nan 0.000 0.433 226 K N -1.052 119.277 120.400 -0.117 0.000 2.439 226 K HA -0.057 4.264 4.320 0.000 0.000 0.197 226 K C 1.903 178.414 176.600 -0.149 0.000 1.041 226 K CA 0.562 56.784 56.287 -0.109 0.000 0.970 226 K CB -0.038 32.404 32.500 -0.097 0.000 0.773 226 K HN 0.305 nan 8.250 nan 0.000 0.479 227 R N -0.674 119.677 120.500 -0.248 0.000 2.275 227 R HA 0.007 4.347 4.340 0.000 0.000 0.199 227 R C 1.118 177.332 176.300 -0.143 0.000 0.989 227 R CA 0.812 56.708 56.100 -0.341 0.000 1.016 227 R CB 0.489 30.251 30.300 -0.897 0.000 0.918 227 R HN 0.387 nan 8.270 nan 0.000 0.473 228 G N -0.334 108.423 108.800 -0.071 0.000 2.485 228 G HA2 -0.191 3.769 3.960 0.000 0.000 0.181 228 G HA3 -0.191 3.769 3.960 0.000 0.000 0.181 228 G C 0.183 175.113 174.900 0.051 0.000 0.999 228 G CA -0.590 44.520 45.100 0.018 0.000 0.721 228 G HN 0.234 nan 8.290 nan 0.000 0.486 229 C N 2.199 121.523 119.300 0.039 0.000 2.679 229 C HA 0.392 4.852 4.460 0.000 0.000 0.417 229 C C 1.923 176.953 174.990 0.067 0.000 1.302 229 C CA 0.033 59.098 59.018 0.079 0.000 1.973 229 C CB 1.189 28.951 27.740 0.036 0.000 2.715 229 C HN 0.517 nan 8.230 nan 0.000 0.628 230 Q N 0.911 120.769 119.800 0.096 0.000 2.163 230 Q HA 0.137 4.477 4.340 0.000 0.000 0.198 230 Q C 0.182 176.230 176.000 0.081 0.000 0.954 230 Q CA 1.036 56.884 55.803 0.076 0.000 0.851 230 Q CB 0.016 28.800 28.738 0.076 0.000 0.928 230 Q HN 0.676 nan 8.270 nan 0.000 0.459 231 V N 0.795 120.779 119.914 0.116 0.000 2.686 231 V HA 0.385 4.505 4.120 0.000 0.000 0.306 231 V C -0.701 175.498 176.094 0.175 0.000 1.065 231 V CA -0.780 61.594 62.300 0.123 0.000 0.894 231 V CB 2.485 34.382 31.823 0.122 0.000 1.004 231 V HN -0.207 nan 8.190 nan 0.000 0.424 232 V N 5.854 125.860 119.914 0.152 0.000 2.495 232 V HA 0.605 4.725 4.120 0.000 0.000 0.298 232 V C -0.464 175.733 176.094 0.172 0.000 1.031 232 V CA -0.450 61.970 62.300 0.200 0.000 0.871 232 V CB 1.931 33.830 31.823 0.125 0.000 0.988 232 V HN 0.713 nan 8.190 nan 0.000 0.432 233 I N 5.410 126.099 120.570 0.198 0.000 2.466 233 I HA 0.529 4.699 4.170 0.000 0.000 0.289 233 I C -0.804 175.370 176.117 0.094 0.000 1.026 233 I CA -0.362 61.026 61.300 0.146 0.000 1.078 233 I CB 2.098 40.217 38.000 0.198 0.000 1.249 233 I HN 0.409 nan 8.210 nan 0.000 0.429 234 I N 5.126 125.717 120.570 0.035 0.000 2.389 234 I HA 0.273 4.443 4.170 0.000 0.000 0.288 234 I C 0.328 176.383 176.117 -0.104 0.000 0.999 234 I CA -0.521 60.767 61.300 -0.020 0.000 1.129 234 I CB 2.128 40.127 38.000 -0.003 0.000 1.288 234 I HN 0.578 nan 8.210 nan 0.000 0.444 235 T N 4.384 118.821 114.554 -0.196 0.000 2.910 235 T HA 0.535 4.886 4.350 0.000 0.000 0.293 235 T C 0.136 174.731 174.700 -0.174 0.000 1.015 235 T CA -0.515 61.404 62.100 -0.303 0.000 1.094 235 T CB 1.401 69.959 68.868 -0.516 0.000 0.968 235 T HN 0.499 nan 8.240 nan 0.000 0.521 236 L N 2.219 123.356 121.223 -0.143 0.000 3.288 236 L HA 0.420 4.760 4.340 0.000 0.000 0.293 236 L C 1.591 178.425 176.870 -0.059 0.000 1.294 236 L CA -0.373 54.417 54.840 -0.082 0.000 1.006 236 L CB -0.500 41.523 42.059 -0.061 0.000 1.407 236 L HN 1.227 nan 8.230 nan 0.000 0.592 237 G N 1.445 110.199 108.800 -0.078 0.000 2.622 237 G HA2 -0.455 3.505 3.960 0.000 0.000 0.307 237 G HA3 -0.455 3.505 3.960 0.000 0.000 0.307 237 G C 1.004 175.888 174.900 -0.027 0.000 1.226 237 G CA 0.629 45.699 45.100 -0.050 0.000 0.997 237 G HN 0.393 nan 8.290 nan 0.000 0.551 238 A N -0.731 122.082 122.820 -0.012 0.000 2.125 238 A HA 0.163 4.484 4.320 0.000 0.000 0.219 238 A C 1.952 179.549 177.584 0.022 0.000 1.156 238 A CA 2.238 54.276 52.037 0.001 0.000 0.671 238 A CB -0.266 18.734 19.000 0.000 0.000 0.794 238 A HN 0.582 nan 8.150 nan 0.000 0.459 239 E N -0.772 119.451 120.200 0.037 0.000 2.489 239 E HA 0.245 4.596 4.350 0.000 0.000 0.193 239 E C 1.425 178.131 176.600 0.176 0.000 1.057 239 E CA 0.566 57.033 56.400 0.113 0.000 0.866 239 E CB -0.165 29.592 29.700 0.094 0.000 0.916 239 E HN 0.640 nan 8.360 nan 0.000 0.500 240 G N 1.258 110.100 108.800 0.070 0.000 2.536 240 G HA2 -0.347 3.613 3.960 0.000 0.000 0.277 240 G HA3 -0.347 3.613 3.960 0.000 0.000 0.277 240 G C 0.229 175.141 174.900 0.021 0.000 1.155 240 G CA 0.267 45.402 45.100 0.058 0.000 0.960 240 G HN 0.538 nan 8.290 nan 0.000 0.544 241 C N -2.205 117.157 119.300 0.104 0.000 3.318 241 C HA 0.855 5.315 4.460 0.000 0.000 0.322 241 C C -0.364 174.713 174.990 0.145 0.000 1.398 241 C CA -0.417 58.627 59.018 0.044 0.000 1.339 241 C CB 1.350 29.064 27.740 -0.043 0.000 1.668 241 C HN 1.430 nan 8.230 nan 0.000 0.462 242 V N 1.094 121.045 119.914 0.062 0.000 2.604 242 V HA 0.821 4.941 4.120 0.000 0.000 0.305 242 V C -0.419 175.719 176.094 0.074 0.000 1.043 242 V CA -0.377 61.963 62.300 0.066 0.000 0.888 242 V CB 1.543 33.359 31.823 -0.011 0.000 0.995 242 V HN 1.014 nan 8.190 nan 0.000 0.429 243 V N 6.496 126.460 119.914 0.084 0.000 2.656 243 V HA 0.767 4.887 4.120 0.000 0.000 0.307 243 V C -1.297 174.837 176.094 0.066 0.000 1.051 243 V CA -0.289 62.063 62.300 0.086 0.000 0.893 243 V CB 1.899 33.782 31.823 0.099 0.000 0.999 243 V HN 0.724 nan 8.190 nan 0.000 0.426 244 L N 4.579 125.841 121.223 0.064 0.000 2.303 244 L HA 0.958 5.298 4.340 0.000 0.000 0.256 244 L C -0.206 176.695 176.870 0.052 0.000 1.034 244 L CA -0.007 54.861 54.840 0.047 0.000 0.832 244 L CB 2.380 44.459 42.059 0.032 0.000 1.403 244 L HN 0.946 nan 8.230 nan 0.000 0.419 245 S N -1.559 114.165 115.700 0.040 0.000 2.587 245 S HA 0.366 4.836 4.470 0.000 0.000 0.269 245 S C -0.102 174.515 174.600 0.028 0.000 1.154 245 S CA -0.767 57.458 58.200 0.041 0.000 0.824 245 S CB 1.440 64.667 63.200 0.045 0.000 1.118 245 S HN 0.431 nan 8.310 nan 0.000 0.462 246 Q N 1.348 121.165 119.800 0.027 0.000 2.050 246 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 246 Q C 2.202 178.211 176.000 0.015 0.000 0.980 246 Q CA 2.620 58.434 55.803 0.018 0.000 0.840 246 Q CB -1.099 27.650 28.738 0.019 0.000 0.898 246 Q HN 1.039 nan 8.270 nan 0.000 0.424 247 T N -2.235 112.331 114.554 0.019 0.000 3.085 247 T HA 0.031 4.381 4.350 0.000 0.000 0.263 247 T C 0.515 175.225 174.700 0.016 0.000 1.127 247 T CA 0.382 62.492 62.100 0.016 0.000 1.103 247 T CB 0.135 69.014 68.868 0.018 0.000 0.921 247 T HN 0.141 nan 8.240 nan 0.000 0.510 248 E N 1.329 121.540 120.200 0.019 0.000 3.352 248 E HA 0.207 4.557 4.350 0.000 0.000 0.254 248 E C -2.556 174.055 176.600 0.018 0.000 1.229 248 E CA -1.753 54.658 56.400 0.018 0.000 0.949 248 E CB 1.810 31.523 29.700 0.022 0.000 1.373 248 E HN 0.199 nan 8.360 nan 0.000 0.392 249 P HA -0.133 nan 4.420 nan 0.000 0.236 249 P C -0.113 177.193 177.300 0.009 0.000 1.172 249 P CA 0.817 63.922 63.100 0.008 0.000 0.759 249 P CB 0.155 31.857 31.700 0.002 0.000 0.843 250 E N 0.837 121.045 120.200 0.013 0.000 2.167 250 E HA 0.226 4.576 4.350 0.000 0.000 0.284 250 E C -2.283 174.330 176.600 0.020 0.000 1.016 250 E CA -2.962 53.446 56.400 0.013 0.000 0.817 250 E CB 0.594 30.302 29.700 0.014 0.000 1.080 250 E HN 0.009 nan 8.360 nan 0.000 0.397 251 P HA 0.028 nan 4.420 nan 0.000 0.267 251 P C -1.250 176.075 177.300 0.041 0.000 1.205 251 P CA 0.274 63.389 63.100 0.027 0.000 0.765 251 P CB 0.518 32.226 31.700 0.013 0.000 0.828 252 K N 1.515 121.949 120.400 0.058 0.000 2.324 252 K HA 0.313 4.633 4.320 0.000 0.000 0.253 252 K C -0.579 176.100 176.600 0.133 0.000 0.932 252 K CA -0.595 55.739 56.287 0.079 0.000 0.799 252 K CB 1.570 34.106 32.500 0.060 0.000 1.154 252 K HN 0.579 nan 8.250 nan 0.000 0.425 253 H N 4.517 123.596 119.070 0.014 0.000 2.556 253 H HA 0.238 4.794 4.556 0.000 0.000 0.310 253 H C -0.730 174.608 175.328 0.017 0.000 1.057 253 H CA -0.922 55.134 56.048 0.013 0.000 1.264 253 H CB 0.649 30.415 29.762 0.007 0.000 1.404 253 H HN 0.299 nan 8.280 nan 0.000 0.462 254 I N 8.745 129.368 120.570 0.088 0.000 2.307 254 I HA 0.197 4.367 4.170 0.000 0.000 0.287 254 I C -2.315 173.742 176.117 -0.100 0.000 1.054 254 I CA -2.882 58.401 61.300 -0.028 0.000 1.218 254 I CB 0.267 38.304 38.000 0.061 0.000 1.398 254 I HN 0.513 nan 8.210 nan 0.000 0.475 255 P HA 0.200 nan 4.420 nan 0.000 0.274 255 P C 0.065 177.343 177.300 -0.037 0.000 1.246 255 P CA -0.045 62.946 63.100 -0.182 0.000 0.795 255 P CB 1.440 33.006 31.700 -0.223 0.000 1.006 256 T N -1.610 112.944 114.554 -0.001 0.000 2.844 256 T HA 0.549 4.900 4.350 0.000 0.000 0.274 256 T C -0.351 174.359 174.700 0.016 0.000 0.991 256 T CA -0.241 61.875 62.100 0.027 0.000 0.983 256 T CB 0.172 69.059 68.868 0.031 0.000 1.310 256 T HN 0.456 nan 8.240 nan 0.000 0.596 257 E N 1.050 121.255 120.200 0.008 0.000 2.360 257 E HA 0.314 4.664 4.350 0.000 0.000 0.269 257 E C -0.327 176.262 176.600 -0.018 0.000 1.022 257 E CA -0.266 56.131 56.400 -0.005 0.000 0.887 257 E CB -0.130 29.532 29.700 -0.063 0.000 0.990 257 E HN 0.614 nan 8.360 nan 0.000 0.426 258 K N 1.062 121.458 120.400 -0.007 0.000 2.349 258 K HA 0.445 4.765 4.320 0.000 0.000 0.289 258 K C -0.658 175.932 176.600 -0.017 0.000 1.064 258 K CA -0.126 56.156 56.287 -0.009 0.000 0.947 258 K CB 1.150 33.649 32.500 -0.001 0.000 1.007 258 K HN 0.352 nan 8.250 nan 0.000 0.478 259 V N 2.987 122.886 119.914 -0.025 0.000 3.114 259 V HA 0.244 4.364 4.120 0.000 0.000 0.308 259 V C -1.278 174.802 176.094 -0.023 0.000 1.168 259 V CA -1.059 61.221 62.300 -0.032 0.000 1.015 259 V CB 2.294 34.079 31.823 -0.063 0.000 1.050 259 V HN 0.638 nan 8.190 nan 0.000 0.433 260 K N 3.518 123.907 120.400 -0.019 0.000 2.250 260 K HA 0.585 4.905 4.320 0.000 0.000 0.285 260 K C 0.004 176.594 176.600 -0.015 0.000 1.097 260 K CA -0.017 56.262 56.287 -0.014 0.000 0.913 260 K CB 1.095 33.590 32.500 -0.009 0.000 1.179 260 K HN 0.801 nan 8.250 nan 0.000 0.462 261 A N 2.810 125.622 122.820 -0.013 0.000 2.477 261 A HA 0.129 4.449 4.320 0.000 0.000 0.246 261 A C 1.031 178.611 177.584 -0.007 0.000 1.078 261 A CA -0.353 51.677 52.037 -0.011 0.000 0.770 261 A CB 0.540 19.535 19.000 -0.008 0.000 1.011 261 A HN 0.564 nan 8.150 nan 0.000 0.494 262 V N 1.172 121.083 119.914 -0.005 0.000 3.048 262 V HA 0.167 4.287 4.120 0.000 0.000 0.241 262 V C 0.064 176.158 176.094 -0.001 0.000 1.129 262 V CA 1.504 63.802 62.300 -0.004 0.000 1.128 262 V CB 0.069 31.889 31.823 -0.005 0.000 0.849 262 V HN 0.958 nan 8.190 nan 0.000 0.475 263 D N -0.776 119.626 120.400 0.003 0.000 2.484 263 D HA 0.138 4.778 4.640 0.000 0.000 0.206 263 D C 0.529 176.839 176.300 0.017 0.000 1.322 263 D CA 0.489 54.493 54.000 0.007 0.000 0.913 263 D CB 1.490 42.293 40.800 0.004 0.000 1.559 263 D HN 0.163 nan 8.370 nan 0.000 0.565 264 T N -0.165 114.399 114.554 0.016 0.000 3.107 264 T HA 0.139 4.489 4.350 0.000 0.000 0.249 264 T C 0.667 175.390 174.700 0.037 0.000 1.096 264 T CA 0.001 62.116 62.100 0.024 0.000 1.012 264 T CB -0.325 68.549 68.868 0.010 0.000 0.977 264 T HN 0.296 nan 8.240 nan 0.000 0.527 265 T N 2.491 117.065 114.554 0.033 0.000 2.867 265 T HA 0.427 4.777 4.350 0.000 0.000 0.297 265 T C 1.445 176.192 174.700 0.078 0.000 0.989 265 T CA 0.693 62.816 62.100 0.038 0.000 1.159 265 T CB 0.160 69.041 68.868 0.020 0.000 0.928 265 T HN 0.755 nan 8.240 nan 0.000 0.538 266 G N 2.121 110.979 108.800 0.096 0.000 2.143 266 G HA2 -0.220 3.741 3.960 0.000 0.000 0.248 266 G HA3 -0.220 3.741 3.960 0.000 0.000 0.248 266 G C 1.020 176.059 174.900 0.232 0.000 0.991 266 G CA 0.268 45.477 45.100 0.182 0.000 0.689 266 G HN 1.041 nan 8.290 nan 0.000 0.522 267 A N -0.045 122.857 122.820 0.137 0.000 1.930 267 A HA 0.363 4.683 4.320 0.000 0.000 0.217 267 A C 2.748 180.377 177.584 0.074 0.000 1.175 267 A CA 2.055 54.154 52.037 0.104 0.000 0.627 267 A CB -0.809 18.227 19.000 0.060 0.000 0.815 267 A HN 1.575 nan 8.150 nan 0.000 0.443 268 G N 0.063 108.892 108.800 0.048 0.000 2.440 268 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 268 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 268 G C 1.104 176.054 174.900 0.083 0.000 1.154 268 G CA 1.235 46.355 45.100 0.033 0.000 0.767 268 G HN 0.479 nan 8.290 nan 0.000 0.552 269 D N 0.168 120.606 120.400 0.063 0.000 2.183 269 D HA -0.057 4.583 4.640 0.000 0.000 0.203 269 D C 2.615 178.844 176.300 -0.120 0.000 0.969 269 D CA 1.118 55.139 54.000 0.036 0.000 0.842 269 D CB -0.211 40.664 40.800 0.125 0.000 0.957 269 D HN 0.298 nan 8.370 nan 0.000 0.484 270 S N -0.165 115.372 115.700 -0.271 0.000 2.356 270 S HA -0.170 4.300 4.470 0.000 0.000 0.223 270 S C 1.859 176.360 174.600 -0.164 0.000 1.032 270 S CA 0.612 58.498 58.200 -0.523 0.000 1.005 270 S CB -0.474 62.428 63.200 -0.498 0.000 0.867 270 S HN 0.219 nan 8.310 nan 0.000 0.449 271 F N 1.883 121.752 119.950 -0.136 0.000 2.126 271 F HA -0.105 4.422 4.527 0.001 0.000 0.299 271 F C 2.066 177.854 175.800 -0.020 0.000 1.096 271 F CA 1.760 59.729 58.000 -0.051 0.000 1.255 271 F CB -0.419 38.563 39.000 -0.031 0.000 0.997 271 F HN 0.081 nan 8.300 nan 0.000 0.479 272 V N 0.016 120.022 119.914 0.153 0.000 2.379 272 V HA -0.155 3.965 4.120 0.000 0.000 0.245 272 V C 2.714 178.809 176.094 0.002 0.000 1.044 272 V CA 1.782 64.136 62.300 0.090 0.000 1.036 272 V CB -1.436 30.451 31.823 0.107 0.000 0.664 272 V HN 0.528 nan 8.190 nan 0.000 0.453 273 G N -0.266 108.514 108.800 -0.034 0.000 2.422 273 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 273 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 273 G C 1.768 176.662 174.900 -0.010 0.000 1.146 273 G CA 1.063 46.145 45.100 -0.029 0.000 0.769 273 G HN 0.584 nan 8.290 nan 0.000 0.547 274 A N 0.505 123.283 122.820 -0.070 0.000 1.877 274 A HA 0.045 4.365 4.320 0.000 0.000 0.216 274 A C 2.349 180.016 177.584 0.138 0.000 1.186 274 A CA 1.688 53.722 52.037 -0.004 0.000 0.620 274 A CB -0.520 18.454 19.000 -0.043 0.000 0.822 274 A HN 0.428 nan 8.150 nan 0.000 0.443 275 L N -0.143 121.059 121.223 -0.036 0.000 2.042 275 L HA -0.104 4.236 4.340 0.000 0.000 0.210 275 L C 2.663 179.603 176.870 0.118 0.000 1.076 275 L CA 2.189 57.031 54.840 0.004 0.000 0.749 275 L CB -0.880 41.089 42.059 -0.151 0.000 0.893 275 L HN 0.365 nan 8.230 nan 0.000 0.432 276 A N -0.973 121.910 122.820 0.105 0.000 1.902 276 A HA -0.268 4.052 4.320 0.000 0.000 0.217 276 A C 2.288 179.977 177.584 0.175 0.000 1.181 276 A CA 1.765 53.876 52.037 0.123 0.000 0.623 276 A CB -1.205 17.860 19.000 0.109 0.000 0.818 276 A HN 0.551 nan 8.150 nan 0.000 0.443 277 F N -0.411 119.569 119.950 0.050 0.000 2.091 277 F HA -0.255 4.272 4.527 0.000 0.000 0.299 277 F C 2.088 177.959 175.800 0.118 0.000 1.103 277 F CA 2.035 60.073 58.000 0.064 0.000 1.228 277 F CB -0.474 38.443 39.000 -0.138 0.000 0.984 277 F HN 0.300 nan 8.300 nan 0.000 0.477 278 Y N 0.267 120.670 120.300 0.171 0.000 2.293 278 Y HA -0.121 4.429 4.550 0.000 0.000 0.291 278 Y C 2.338 178.274 175.900 0.060 0.000 1.137 278 Y CA 1.316 59.461 58.100 0.075 0.000 1.202 278 Y CB -0.762 37.719 38.460 0.036 0.000 0.990 278 Y HN 0.086 nan 8.280 nan 0.000 0.537 279 L N -1.060 120.263 121.223 0.167 0.000 2.083 279 L HA -0.232 4.108 4.340 0.000 0.000 0.209 279 L C 2.556 179.429 176.870 0.007 0.000 1.083 279 L CA 1.244 56.136 54.840 0.087 0.000 0.752 279 L CB -0.650 41.452 42.059 0.073 0.000 0.899 279 L HN 0.241 nan 8.230 nan 0.000 0.433 280 A N -1.303 121.486 122.820 -0.051 0.000 1.903 280 A HA -0.120 4.200 4.320 0.000 0.000 0.213 280 A C 1.791 179.111 177.584 -0.440 0.000 1.185 280 A CA 1.018 52.911 52.037 -0.239 0.000 0.628 280 A CB -0.445 18.394 19.000 -0.269 0.000 0.830 280 A HN 0.375 nan 8.150 nan 0.000 0.446 281 Y N -3.153 116.987 120.300 -0.267 0.000 2.497 281 Y HA 0.203 4.753 4.550 0.000 0.000 0.265 281 Y C -0.031 175.588 175.900 -0.468 0.000 1.111 281 Y CA 0.345 58.199 58.100 -0.410 0.000 1.288 281 Y CB 0.404 38.454 38.460 -0.684 0.000 1.082 281 Y HN 0.331 nan 8.280 nan 0.000 0.536 282 Y N -0.611 119.667 120.300 -0.036 0.000 2.470 282 Y HA 0.339 4.889 4.550 0.000 0.000 0.352 282 Y C -2.208 173.710 175.900 0.029 0.000 0.967 282 Y CA -2.779 55.346 58.100 0.043 0.000 1.121 282 Y CB 0.460 39.016 38.460 0.160 0.000 1.149 282 Y HN -0.019 nan 8.280 nan 0.000 0.641 283 P HA 0.004 nan 4.420 nan 0.000 0.231 283 P C 0.713 178.044 177.300 0.052 0.000 1.168 283 P CA 1.093 64.223 63.100 0.050 0.000 0.779 283 P CB 0.509 32.205 31.700 -0.006 0.000 0.844 284 N N -0.998 117.736 118.700 0.058 0.000 2.412 284 N HA 0.072 4.812 4.740 0.000 0.000 0.184 284 N C 0.499 176.045 175.510 0.059 0.000 1.101 284 N CA 0.151 53.229 53.050 0.047 0.000 0.881 284 N CB -0.423 38.085 38.487 0.034 0.000 0.969 284 N HN 0.156 nan 8.380 nan 0.000 0.459 285 L N 0.915 122.191 121.223 0.089 0.000 2.483 285 L HA 0.061 4.401 4.340 0.000 0.000 0.275 285 L C 0.923 177.809 176.870 0.027 0.000 1.220 285 L CA -0.307 54.568 54.840 0.058 0.000 0.833 285 L CB 0.305 42.395 42.059 0.052 0.000 1.102 285 L HN 0.179 nan 8.230 nan 0.000 0.490 286 S N 1.417 117.118 115.700 0.002 0.000 2.592 286 S HA 0.091 4.561 4.470 0.000 0.000 0.271 286 S C 0.808 175.402 174.600 -0.010 0.000 1.326 286 S CA -0.767 57.433 58.200 -0.000 0.000 1.024 286 S CB 1.242 64.438 63.200 -0.006 0.000 0.921 286 S HN 0.522 nan 8.310 nan 0.000 0.527 287 L N 1.356 122.583 121.223 0.006 0.000 2.083 287 L HA -0.011 4.330 4.340 0.000 0.000 0.209 287 L C 2.272 179.139 176.870 -0.005 0.000 1.083 287 L CA 1.920 56.767 54.840 0.012 0.000 0.752 287 L CB -1.449 40.633 42.059 0.037 0.000 0.899 287 L HN 0.840 nan 8.230 nan 0.000 0.433 288 E N -0.646 119.550 120.200 -0.006 0.000 2.077 288 E HA -0.229 4.121 4.350 0.000 0.000 0.193 288 E C 1.975 178.541 176.600 -0.057 0.000 0.989 288 E CA 1.315 57.707 56.400 -0.013 0.000 0.800 288 E CB -0.357 29.338 29.700 -0.009 0.000 0.746 288 E HN 0.466 nan 8.360 nan 0.000 0.452 289 D N -0.162 120.188 120.400 -0.083 0.000 2.117 289 D HA -0.119 4.521 4.640 0.000 0.000 0.197 289 D C 1.817 177.962 176.300 -0.258 0.000 0.987 289 D CA 1.050 54.962 54.000 -0.146 0.000 0.829 289 D CB -0.032 40.691 40.800 -0.128 0.000 0.961 289 D HN 0.155 nan 8.370 nan 0.000 0.460 290 M N -0.381 119.070 119.600 -0.249 0.000 2.117 290 M HA -0.124 4.356 4.480 0.000 0.000 0.262 290 M C 2.347 178.449 176.300 -0.330 0.000 1.065 290 M CA 1.033 56.101 55.300 -0.386 0.000 1.114 290 M CB -0.164 32.338 32.600 -0.163 0.000 1.361 290 M HN 0.053 nan 8.290 nan 0.000 0.408 291 L N -0.513 120.621 121.223 -0.149 0.000 2.156 291 L HA -0.161 4.179 4.340 0.000 0.000 0.208 291 L C 2.116 178.980 176.870 -0.009 0.000 1.095 291 L CA 0.726 55.543 54.840 -0.039 0.000 0.770 291 L CB -0.778 41.353 42.059 0.120 0.000 0.914 291 L HN 0.342 nan 8.230 nan 0.000 0.439 292 N N 0.552 119.212 118.700 -0.067 0.000 2.188 292 N HA -0.128 4.612 4.740 0.000 0.000 0.184 292 N C 1.950 177.417 175.510 -0.072 0.000 1.018 292 N CA 1.161 54.184 53.050 -0.045 0.000 0.858 292 N CB 0.116 38.557 38.487 -0.075 0.000 0.989 292 N HN 0.165 nan 8.380 nan 0.000 0.426 293 R N -0.566 119.793 120.500 -0.235 0.000 2.073 293 R HA 0.104 4.444 4.340 0.000 0.000 0.229 293 R C 2.147 178.389 176.300 -0.097 0.000 1.120 293 R CA 1.296 57.226 56.100 -0.284 0.000 0.967 293 R CB -0.246 29.605 30.300 -0.749 0.000 0.862 293 R HN 0.128 nan 8.270 nan 0.000 0.436 294 S N 1.130 116.724 115.700 -0.176 0.000 2.368 294 S HA -0.101 4.369 4.470 0.000 0.000 0.225 294 S C 1.553 176.157 174.600 0.007 0.000 1.030 294 S CA 1.165 59.245 58.200 -0.200 0.000 0.999 294 S CB -0.300 62.476 63.200 -0.707 0.000 0.844 294 S HN 0.302 nan 8.310 nan 0.000 0.459 295 N N 1.193 119.994 118.700 0.168 0.000 2.036 295 N HA -0.104 4.636 4.740 0.000 0.000 0.195 295 N C 1.396 176.995 175.510 0.149 0.000 1.037 295 N CA 1.214 54.416 53.050 0.254 0.000 0.855 295 N CB -0.673 37.930 38.487 0.192 0.000 1.033 295 N HN 0.400 nan 8.380 nan 0.000 0.423 296 F N 1.582 121.536 119.950 0.007 0.000 2.095 296 F HA -0.148 4.379 4.527 0.000 0.000 0.298 296 F C 2.071 177.872 175.800 0.002 0.000 1.104 296 F CA 1.127 59.120 58.000 -0.010 0.000 1.232 296 F CB -0.082 38.886 39.000 -0.052 0.000 0.987 296 F HN -0.045 nan 8.300 nan 0.000 0.475 297 I N 0.560 121.237 120.570 0.179 0.000 2.179 297 I HA -0.266 3.904 4.170 0.000 0.000 0.242 297 I C 2.755 178.867 176.117 -0.008 0.000 1.088 297 I CA 1.505 62.857 61.300 0.085 0.000 1.357 297 I CB -2.191 35.846 38.000 0.062 0.000 1.051 297 I HN 0.227 nan 8.210 nan 0.000 0.409 298 A N 0.992 123.830 122.820 0.031 0.000 1.933 298 A HA -0.097 4.223 4.320 0.000 0.000 0.218 298 A C 2.582 180.165 177.584 -0.002 0.000 1.175 298 A CA 1.925 53.990 52.037 0.048 0.000 0.628 298 A CB -0.738 18.372 19.000 0.183 0.000 0.814 298 A HN 0.426 nan 8.150 nan 0.000 0.444 299 A N -0.497 122.284 122.820 -0.065 0.000 1.933 299 A HA -0.015 4.305 4.320 0.000 0.000 0.218 299 A C 2.213 179.685 177.584 -0.187 0.000 1.175 299 A CA 1.797 53.748 52.037 -0.143 0.000 0.628 299 A CB -0.905 17.956 19.000 -0.232 0.000 0.814 299 A HN 0.398 nan 8.150 nan 0.000 0.444 300 V N 0.912 120.677 119.914 -0.248 0.000 2.343 300 V HA -0.261 3.859 4.120 0.000 0.000 0.247 300 V C 3.037 179.108 176.094 -0.037 0.000 1.051 300 V CA 2.407 64.610 62.300 -0.163 0.000 1.036 300 V CB -1.024 30.733 31.823 -0.111 0.000 0.654 300 V HN 0.840 nan 8.190 nan 0.000 0.451 301 S N -0.161 115.548 115.700 0.015 0.000 2.382 301 S HA -0.176 4.294 4.470 0.000 0.000 0.228 301 S C 1.952 176.594 174.600 0.070 0.000 1.027 301 S CA 1.700 59.964 58.200 0.107 0.000 0.991 301 S CB -0.661 62.672 63.200 0.222 0.000 0.823 301 S HN 0.297 nan 8.310 nan 0.000 0.469 302 V N 2.169 122.102 119.914 0.031 0.000 2.688 302 V HA -0.163 3.957 4.120 0.000 0.000 0.256 302 V C 2.397 178.491 176.094 0.000 0.000 1.084 302 V CA 2.013 64.323 62.300 0.015 0.000 1.103 302 V CB -0.886 30.934 31.823 -0.004 0.000 0.688 302 V HN 0.656 nan 8.190 nan 0.000 0.480 303 Q N -0.665 119.129 119.800 -0.010 0.000 2.403 303 Q HA 0.397 4.737 4.340 0.000 0.000 0.203 303 Q C 0.425 176.423 176.000 -0.003 0.000 0.932 303 Q CA 0.459 56.253 55.803 -0.014 0.000 0.945 303 Q CB 0.352 29.073 28.738 -0.028 0.000 1.045 303 Q HN 0.651 nan 8.270 nan 0.000 0.511 304 A N 0.204 123.027 122.820 0.005 0.000 2.566 304 A HA 0.819 5.139 4.320 0.000 0.000 0.292 304 A C -1.347 176.235 177.584 -0.004 0.000 1.112 304 A CA -0.636 51.401 52.037 0.001 0.000 0.707 304 A CB 1.184 20.187 19.000 0.005 0.000 1.302 304 A HN 0.161 nan 8.150 nan 0.000 0.409 305 A N -0.933 121.877 122.820 -0.017 0.000 2.269 305 A HA 0.750 5.070 4.320 0.000 0.000 0.319 305 A C 1.018 178.576 177.584 -0.044 0.000 1.110 305 A CA 0.207 52.230 52.037 -0.024 0.000 0.847 305 A CB 0.513 19.497 19.000 -0.026 0.000 1.161 305 A HN 2.762 nan 8.150 nan 0.000 0.497 306 G N -0.648 108.123 108.800 -0.048 0.000 2.175 306 G HA2 0.058 4.019 3.960 0.000 0.000 0.182 306 G HA3 0.058 4.019 3.960 0.000 0.000 0.182 306 G C 0.794 175.620 174.900 -0.122 0.000 1.003 306 G CA 0.570 45.629 45.100 -0.069 0.000 0.666 306 G HN 1.970 nan 8.290 nan 0.000 0.506 307 T N -0.284 114.184 114.554 -0.142 0.000 13.889 307 T HA -0.449 3.901 4.350 0.000 0.000 0.419 307 T C 1.642 175.905 174.700 -0.728 0.000 1.441 307 T CA 2.270 64.216 62.100 -0.255 0.000 2.341 307 T CB -1.178 67.615 68.868 -0.125 0.000 2.774 307 T HN 0.613 nan 8.240 nan 0.000 0.402 308 Q N 0.896 120.285 119.800 -0.685 0.000 2.197 308 Q HA -0.095 4.245 4.340 0.000 0.000 0.207 308 Q C 2.618 178.314 176.000 -0.507 0.000 0.984 308 Q CA 1.850 57.163 55.803 -0.817 0.000 0.869 308 Q CB -0.275 28.309 28.738 -0.257 0.000 0.906 308 Q HN 0.606 nan 8.270 nan 0.000 0.426 309 S N 0.546 116.077 115.700 -0.282 0.000 2.399 309 S HA -0.130 4.340 4.470 0.000 0.000 0.231 309 S C 1.984 176.515 174.600 -0.114 0.000 1.022 309 S CA 1.362 59.480 58.200 -0.136 0.000 0.983 309 S CB -0.147 63.002 63.200 -0.084 0.000 0.803 309 S HN 0.524 nan 8.310 nan 0.000 0.480 310 S N -0.148 115.450 115.700 -0.171 0.000 2.562 310 S HA 0.096 4.566 4.470 0.000 0.000 0.221 310 S C 0.009 174.681 174.600 0.120 0.000 0.975 310 S CA -0.226 57.961 58.200 -0.022 0.000 0.918 310 S CB -0.390 62.815 63.200 0.008 0.000 0.772 310 S HN 0.324 nan 8.310 nan 0.000 0.531 311 Y N 4.252 124.529 120.300 -0.039 0.000 2.496 311 Y HA 0.421 4.971 4.550 0.000 0.000 0.334 311 Y C -2.142 173.680 175.900 -0.130 0.000 1.080 311 Y CA -3.469 54.582 58.100 -0.082 0.000 1.355 311 Y CB -0.394 38.001 38.460 -0.108 0.000 1.193 311 Y HN 0.202 nan 8.280 nan 0.000 0.523 312 P HA 0.156 nan 4.420 nan 0.000 0.276 312 P C -1.138 176.127 177.300 -0.058 0.000 1.244 312 P CA -0.260 62.875 63.100 0.058 0.000 0.801 312 P CB 1.044 32.806 31.700 0.103 0.000 1.006 313 Y N 0.148 120.468 120.300 0.033 0.000 2.354 313 Y HA 0.220 4.770 4.550 0.000 0.000 0.322 313 Y C 2.271 178.156 175.900 -0.025 0.000 1.253 313 Y CA -0.182 57.908 58.100 -0.016 0.000 1.272 313 Y CB 0.934 39.378 38.460 -0.027 0.000 1.255 313 Y HN 0.380 nan 8.280 nan 0.000 0.500 314 K N 1.125 121.543 120.400 0.029 0.000 2.074 314 K HA -0.274 4.046 4.320 0.000 0.000 0.209 314 K C 1.596 178.149 176.600 -0.078 0.000 1.048 314 K CA 2.014 58.188 56.287 -0.187 0.000 0.926 314 K CB -0.046 32.153 32.500 -0.501 0.000 0.713 314 K HN 0.664 nan 8.250 nan 0.000 0.444 315 K N 0.384 120.778 120.400 -0.011 0.000 2.077 315 K HA -0.174 4.146 4.320 0.000 0.000 0.213 315 K C 1.018 177.646 176.600 0.047 0.000 1.051 315 K CA 2.067 58.351 56.287 -0.005 0.000 0.929 315 K CB -0.046 32.437 32.500 -0.028 0.000 0.715 315 K HN 0.328 nan 8.250 nan 0.000 0.451 316 D N -0.105 120.359 120.400 0.107 0.000 2.358 316 D HA 0.091 4.731 4.640 0.000 0.000 0.224 316 D C 0.169 176.566 176.300 0.161 0.000 1.123 316 D CA 0.306 54.378 54.000 0.120 0.000 0.833 316 D CB 0.241 41.123 40.800 0.136 0.000 0.946 316 D HN 0.133 nan 8.370 nan 0.000 0.505 317 L N 0.638 121.981 121.223 0.200 0.000 2.303 317 L HA 0.417 4.757 4.340 0.000 0.000 0.266 317 L C -2.283 174.725 176.870 0.229 0.000 1.011 317 L CA -2.196 52.804 54.840 0.267 0.000 0.818 317 L CB 1.514 43.805 42.059 0.386 0.000 1.326 317 L HN -0.333 nan 8.230 nan 0.000 0.435 318 P HA 0.132 nan 4.420 nan 0.000 0.271 318 P C 0.678 178.041 177.300 0.104 0.000 1.226 318 P CA -0.166 62.953 63.100 0.031 0.000 0.765 318 P CB 0.556 32.156 31.700 -0.166 0.000 0.835 319 L N 1.889 123.198 121.223 0.144 0.000 2.263 319 L HA -0.198 4.142 4.340 0.000 0.000 0.216 319 L C 2.151 179.114 176.870 0.155 0.000 1.111 319 L CA 1.988 56.961 54.840 0.221 0.000 0.773 319 L CB -1.096 41.041 42.059 0.129 0.000 0.906 319 L HN 0.496 nan 8.230 nan 0.000 0.439 320 T N -3.265 111.292 114.554 0.006 0.000 3.035 320 T HA -0.065 4.285 4.350 0.000 0.000 0.268 320 T C 1.680 176.270 174.700 -0.183 0.000 1.109 320 T CA 0.474 62.533 62.100 -0.067 0.000 1.119 320 T CB -0.226 68.578 68.868 -0.106 0.000 0.900 320 T HN 0.286 nan 8.240 nan 0.000 0.503 321 L N -0.693 120.321 121.223 -0.348 0.000 2.465 321 L HA 0.285 4.625 4.340 0.000 0.000 0.224 321 L C 0.233 176.626 176.870 -0.795 0.000 1.145 321 L CA 0.484 54.923 54.840 -0.668 0.000 0.834 321 L CB -0.232 41.262 42.059 -0.942 0.000 0.944 321 L HN 0.275 nan 8.230 nan 0.000 0.451 322 F N 0.000 119.988 119.950 0.063 0.000 2.286 322 F HA 0.000 4.527 4.527 0.000 0.000 0.279 322 F CA 0.000 58.104 58.000 0.174 0.000 1.383 322 F CB 0.000 39.131 39.000 0.218 0.000 1.145 322 F HN 0.000 nan 8.300 nan 0.000 0.574