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 3fkr_1_B DATA FIRST_RESID 17 DATA SEQUENCE TPRHRGIFPV VPTTFADTGD LDLASQKRAV DFMIDAGSDG LCILANFSEQ DATA SEQUENCE FAITDDERDV LTRTILEHVA GRVPVIVTTS HYSTQVCAAR SLRAQQLGAA DATA SEQUENCE MVMAMPPYHG ATFRVPEAQI FEFYARVSDA IAIPIMVQDA PASGTALSAP DATA SEQUENCE FLARMAREIE QVAYFXIETP GAANKLRELI RLGGDAIEGP WDGEEAITLL DATA SEQUENCE ADLHAGATGA MTGGGFPDGI RPILEAWREG RHDDAYARYQ AWLPLINHEN DATA SEQUENCE RQSGILTAKA LMREGGVIAS ERPRHPMPEL HPDTRAELLA IARRLDPLVL DATA SEQUENCE RWAH 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.708 174.700 0.013 0.000 1.109 17 T CA 0.000 62.108 62.100 0.014 0.000 1.349 17 T CB 0.000 68.870 68.868 0.003 0.000 0.612 18 P HA 0.503 nan 4.420 nan 0.000 0.274 18 P C 0.267 177.590 177.300 0.038 0.000 1.237 18 P CA -0.509 62.619 63.100 0.046 0.000 0.793 18 P CB 1.439 33.206 31.700 0.111 0.000 0.977 19 R N -0.364 120.138 120.500 0.003 0.000 2.193 19 R HA 0.034 4.374 4.340 -0.000 0.000 0.213 19 R C 0.221 176.251 176.300 -0.450 0.000 1.055 19 R CA 0.800 56.750 56.100 -0.251 0.000 0.995 19 R CB -0.208 29.880 30.300 -0.353 0.000 0.893 19 R HN 0.648 nan 8.270 nan 0.000 0.459 20 H N -0.584 118.695 119.070 0.348 0.000 2.771 20 H HA 0.411 4.967 4.556 -0.000 0.000 0.361 20 H C -0.783 174.878 175.328 0.554 0.000 1.108 20 H CA -1.056 55.234 56.048 0.403 0.000 1.201 20 H CB 1.662 31.559 29.762 0.224 0.000 1.681 20 H HN 0.011 nan 8.280 nan 0.000 0.534 21 R N 1.436 122.271 120.500 0.558 0.000 2.728 21 R HA 0.708 5.048 4.340 -0.000 0.000 0.274 21 R C -0.478 175.910 176.300 0.146 0.000 1.030 21 R CA -0.444 55.826 56.100 0.283 0.000 0.876 21 R CB 1.034 31.466 30.300 0.220 0.000 1.259 21 R HN 0.933 nan 8.270 nan 0.000 0.468 22 G N 0.847 109.572 108.800 -0.125 0.000 2.466 22 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 22 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 22 G C -1.186 173.620 174.900 -0.157 0.000 1.237 22 G CA -0.253 44.791 45.100 -0.092 0.000 0.954 22 G HN 0.814 nan 8.290 nan 0.000 0.580 23 I N 0.297 120.809 120.570 -0.098 0.000 2.336 23 I HA 0.686 4.856 4.170 -0.000 0.000 0.292 23 I C -0.838 175.227 176.117 -0.087 0.000 0.991 23 I CA -0.937 60.291 61.300 -0.121 0.000 1.227 23 I CB 0.656 38.556 38.000 -0.167 0.000 1.366 23 I HN 0.351 nan 8.210 nan 0.000 0.466 24 F N 8.801 128.601 119.950 -0.251 0.000 2.564 24 F HA 0.445 4.972 4.527 -0.000 0.000 0.361 24 F C -2.245 173.501 175.800 -0.090 0.000 1.161 24 F CA -2.373 55.552 58.000 -0.126 0.000 1.198 24 F CB 0.510 39.517 39.000 0.011 0.000 1.424 24 F HN 0.275 nan 8.300 nan 0.000 0.517 25 P HA 0.124 nan 4.420 nan 0.000 0.274 25 P C -0.319 176.976 177.300 -0.009 0.000 1.246 25 P CA -0.172 62.891 63.100 -0.061 0.000 0.795 25 P CB 1.240 32.863 31.700 -0.129 0.000 1.006 26 V N 2.434 122.353 119.914 0.008 0.000 2.406 26 V HA 0.074 4.194 4.120 -0.000 0.000 0.272 26 V C 0.471 176.594 176.094 0.047 0.000 1.043 26 V CA -0.527 61.806 62.300 0.056 0.000 0.915 26 V CB 1.170 33.065 31.823 0.119 0.000 0.988 26 V HN 0.224 nan 8.190 nan 0.000 0.466 27 V N 9.198 129.125 119.914 0.022 0.000 2.521 27 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 27 V C -1.799 174.291 176.094 -0.006 0.000 1.034 27 V CA -1.146 61.153 62.300 -0.003 0.000 1.045 27 V CB 0.897 32.706 31.823 -0.023 0.000 0.974 27 V HN 0.761 nan 8.190 nan 0.000 0.480 28 P HA 0.227 nan 4.420 nan 0.000 0.276 28 P C -0.285 176.928 177.300 -0.144 0.000 1.244 28 P CA -0.322 62.741 63.100 -0.061 0.000 0.801 28 P CB 0.430 32.097 31.700 -0.054 0.000 1.006 29 T N 1.357 115.767 114.554 -0.241 0.000 2.743 29 T HA 0.342 4.692 4.350 -0.000 0.000 0.293 29 T C 0.180 174.492 174.700 -0.646 0.000 0.945 29 T CA -0.190 61.651 62.100 -0.431 0.000 1.030 29 T CB -0.321 68.240 68.868 -0.511 0.000 0.912 29 T HN 0.423 nan 8.240 nan 0.000 0.483 30 T N 1.989 116.235 114.554 -0.514 0.000 2.771 30 T HA 0.665 5.015 4.350 -0.000 0.000 0.291 30 T C -0.402 173.990 174.700 -0.514 0.000 0.954 30 T CA -0.683 61.158 62.100 -0.432 0.000 1.045 30 T CB 0.034 68.782 68.868 -0.199 0.000 0.917 30 T HN 0.344 nan 8.240 nan 0.000 0.484 31 F N 0.957 120.894 119.950 -0.021 0.000 2.575 31 F HA 0.701 5.228 4.527 -0.000 0.000 0.330 31 F C 0.882 176.677 175.800 -0.008 0.000 1.056 31 F CA -1.501 56.490 58.000 -0.015 0.000 0.964 31 F CB 1.432 40.424 39.000 -0.013 0.000 1.258 31 F HN 0.832 nan 8.300 nan 0.000 0.484 32 A N 0.613 123.564 122.820 0.217 0.000 2.327 32 A HA 0.126 4.446 4.320 -0.000 0.000 0.255 32 A C 1.036 178.688 177.584 0.113 0.000 1.099 32 A CA 0.025 52.134 52.037 0.119 0.000 0.801 32 A CB -0.048 19.002 19.000 0.082 0.000 1.062 32 A HN 0.936 nan 8.150 nan 0.000 0.496 33 D N -0.482 119.959 120.400 0.068 0.000 2.172 33 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 33 D C 1.639 177.958 176.300 0.031 0.000 0.999 33 D CA 2.543 56.572 54.000 0.048 0.000 0.856 33 D CB 0.019 40.838 40.800 0.031 0.000 0.934 33 D HN 0.604 nan 8.370 nan 0.000 0.453 34 T N -4.123 110.447 114.554 0.025 0.000 3.122 34 T HA 0.443 4.793 4.350 -0.000 0.000 0.250 34 T C 1.533 176.220 174.700 -0.021 0.000 1.067 34 T CA 0.303 62.403 62.100 -0.000 0.000 0.966 34 T CB 0.626 69.493 68.868 -0.001 0.000 1.002 34 T HN 0.259 nan 8.240 nan 0.000 0.542 35 G N 1.659 110.450 108.800 -0.015 0.000 2.195 35 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.224 35 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.224 35 G C -0.374 174.510 174.900 -0.025 0.000 0.990 35 G CA -0.217 44.810 45.100 -0.122 0.000 0.639 35 G HN 0.650 nan 8.290 nan 0.000 0.514 36 D N 0.804 121.243 120.400 0.066 0.000 2.357 36 D HA 0.504 5.144 4.640 -0.000 0.000 0.242 36 D C 1.228 177.665 176.300 0.228 0.000 1.153 36 D CA -0.427 53.636 54.000 0.106 0.000 0.918 36 D CB 0.692 41.530 40.800 0.063 0.000 1.181 36 D HN 0.339 nan 8.370 nan 0.000 0.435 37 L N 0.787 122.135 121.223 0.208 0.000 2.483 37 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 37 L C 0.395 177.308 176.870 0.072 0.000 1.213 37 L CA 0.282 55.218 54.840 0.160 0.000 0.843 37 L CB 0.239 42.343 42.059 0.076 0.000 1.107 37 L HN 0.465 nan 8.230 nan 0.000 0.487 38 D N 3.028 123.435 120.400 0.013 0.000 2.458 38 D HA 0.225 4.865 4.640 -0.000 0.000 0.258 38 D C 0.669 176.945 176.300 -0.041 0.000 1.134 38 D CA -0.271 53.728 54.000 -0.002 0.000 0.915 38 D CB 0.818 41.621 40.800 0.006 0.000 1.028 38 D HN 0.375 nan 8.370 nan 0.000 0.508 39 L N 1.899 123.102 121.223 -0.034 0.000 2.313 39 L HA 0.037 4.377 4.340 -0.000 0.000 0.214 39 L C 2.347 179.174 176.870 -0.072 0.000 1.119 39 L CA 0.770 55.576 54.840 -0.057 0.000 0.809 39 L CB -0.174 41.860 42.059 -0.042 0.000 0.933 39 L HN 0.364 nan 8.230 nan 0.000 0.449 40 A N -0.329 122.462 122.820 -0.048 0.000 1.873 40 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 40 A C 2.521 180.077 177.584 -0.047 0.000 1.186 40 A CA 1.982 53.991 52.037 -0.048 0.000 0.616 40 A CB -0.534 18.457 19.000 -0.015 0.000 0.823 40 A HN 0.326 nan 8.150 nan 0.000 0.442 41 S N -0.741 114.939 115.700 -0.034 0.000 2.382 41 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 41 S C 2.121 176.684 174.600 -0.062 0.000 1.027 41 S CA 1.580 59.762 58.200 -0.030 0.000 0.991 41 S CB -0.275 62.907 63.200 -0.030 0.000 0.823 41 S HN 0.651 nan 8.310 nan 0.000 0.469 42 Q N 1.667 121.413 119.800 -0.091 0.000 2.096 42 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 42 Q C 1.845 177.778 176.000 -0.113 0.000 0.982 42 Q CA 1.689 57.427 55.803 -0.108 0.000 0.850 42 Q CB -0.184 28.485 28.738 -0.115 0.000 0.901 42 Q HN 0.451 nan 8.270 nan 0.000 0.422 43 K N -0.514 119.777 120.400 -0.181 0.000 2.057 43 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 43 K C 2.242 178.768 176.600 -0.124 0.000 1.050 43 K CA 1.359 57.440 56.287 -0.344 0.000 0.935 43 K CB -0.136 31.944 32.500 -0.701 0.000 0.715 43 K HN 0.150 nan 8.250 nan 0.000 0.439 44 R N 0.574 121.056 120.500 -0.029 0.000 2.091 44 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 44 R C 2.423 178.711 176.300 -0.020 0.000 1.136 44 R CA 1.278 57.441 56.100 0.105 0.000 0.959 44 R CB -0.431 29.971 30.300 0.171 0.000 0.856 44 R HN 0.199 nan 8.270 nan 0.000 0.437 45 A N 0.728 123.519 122.820 -0.048 0.000 1.908 45 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 45 A C 2.369 179.940 177.584 -0.022 0.000 1.181 45 A CA 1.517 53.527 52.037 -0.045 0.000 0.627 45 A CB -0.591 18.381 19.000 -0.045 0.000 0.818 45 A HN 0.128 nan 8.150 nan 0.000 0.445 46 V N 0.518 120.421 119.914 -0.018 0.000 2.343 46 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 46 V C 2.202 178.284 176.094 -0.021 0.000 1.051 46 V CA 2.337 64.633 62.300 -0.008 0.000 1.036 46 V CB -0.747 31.114 31.823 0.063 0.000 0.654 46 V HN 0.507 nan 8.190 nan 0.000 0.451 47 D N -0.573 119.865 120.400 0.063 0.000 2.144 47 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 47 D C 1.903 178.169 176.300 -0.057 0.000 0.978 47 D CA 1.362 55.422 54.000 0.100 0.000 0.833 47 D CB -0.262 40.735 40.800 0.329 0.000 0.961 47 D HN 0.513 nan 8.370 nan 0.000 0.470 48 F N 1.060 120.710 119.950 -0.501 0.000 2.134 48 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 48 F C 2.275 177.805 175.800 -0.449 0.000 1.097 48 F CA 1.302 58.719 58.000 -0.971 0.000 1.264 48 F CB -0.225 37.885 39.000 -1.482 0.000 1.001 48 F HN -0.175 nan 8.300 nan 0.000 0.479 49 M N 0.154 119.242 119.600 -0.854 0.000 2.229 49 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 49 M C 2.188 178.157 176.300 -0.552 0.000 1.063 49 M CA 1.542 56.353 55.300 -0.815 0.000 1.114 49 M CB -0.483 31.906 32.600 -0.352 0.000 1.387 49 M HN 0.247 nan 8.290 nan 0.000 0.420 50 I N 0.257 120.608 120.570 -0.365 0.000 2.179 50 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 50 I C 1.728 177.705 176.117 -0.234 0.000 1.088 50 I CA 1.169 62.320 61.300 -0.249 0.000 1.357 50 I CB -0.521 37.388 38.000 -0.151 0.000 1.051 50 I HN 0.230 nan 8.210 nan 0.000 0.409 51 D N 1.068 121.335 120.400 -0.221 0.000 2.218 51 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 51 D C 2.055 178.259 176.300 -0.160 0.000 0.976 51 D CA 1.212 55.158 54.000 -0.090 0.000 0.853 51 D CB -0.072 40.820 40.800 0.153 0.000 0.939 51 D HN 0.334 nan 8.370 nan 0.000 0.481 52 A N -0.454 122.116 122.820 -0.417 0.000 2.206 52 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 52 A C 1.773 179.213 177.584 -0.240 0.000 1.158 52 A CA 1.232 53.048 52.037 -0.367 0.000 0.761 52 A CB -0.150 18.442 19.000 -0.679 0.000 0.801 52 A HN 0.268 nan 8.150 nan 0.000 0.473 53 G N -1.354 107.313 108.800 -0.223 0.000 2.163 53 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.213 53 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.213 53 G C 0.268 175.045 174.900 -0.205 0.000 0.991 53 G CA 0.131 45.130 45.100 -0.168 0.000 0.653 53 G HN 0.628 nan 8.290 nan 0.000 0.518 54 S N 0.888 116.429 115.700 -0.264 0.000 2.558 54 S HA 0.184 4.654 4.470 -0.000 0.000 0.293 54 S C 1.112 175.513 174.600 -0.332 0.000 1.292 54 S CA 0.298 58.317 58.200 -0.302 0.000 1.063 54 S CB 0.905 63.907 63.200 -0.330 0.000 0.831 54 S HN 0.323 nan 8.310 nan 0.000 0.499 55 D N 1.437 121.590 120.400 -0.413 0.000 2.234 55 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 55 D C 1.013 176.829 176.300 -0.807 0.000 0.962 55 D CA 0.784 54.518 54.000 -0.444 0.000 0.855 55 D CB 0.240 40.880 40.800 -0.267 0.000 0.951 55 D HN 0.670 nan 8.370 nan 0.000 0.500 56 G N -0.532 107.496 108.800 -1.287 0.000 2.550 56 G HA2 0.567 4.527 3.960 -0.000 0.000 0.293 56 G HA3 0.567 4.527 3.960 -0.000 0.000 0.293 56 G C -1.849 172.634 174.900 -0.694 0.000 1.402 56 G CA -0.701 43.644 45.100 -1.259 0.000 0.784 56 G HN 0.019 nan 8.290 nan 0.000 0.482 57 L N -0.566 120.496 121.223 -0.269 0.000 2.388 57 L HA 0.657 4.997 4.340 -0.000 0.000 0.264 57 L C -0.651 176.258 176.870 0.065 0.000 0.998 57 L CA -0.935 53.849 54.840 -0.093 0.000 0.817 57 L CB 2.434 44.435 42.059 -0.095 0.000 1.338 57 L HN 0.670 nan 8.230 nan 0.000 0.414 58 C N 4.619 123.969 119.300 0.084 0.000 2.351 58 C HA 0.784 5.244 4.460 -0.000 0.000 0.326 58 C C -0.090 174.930 174.990 0.050 0.000 1.272 58 C CA -0.569 58.504 59.018 0.093 0.000 1.650 58 C CB -0.109 27.708 27.740 0.129 0.000 2.257 58 C HN 0.680 nan 8.230 nan 0.000 0.505 59 I N 3.808 124.400 120.570 0.036 0.000 2.740 59 I HA 0.606 4.776 4.170 -0.000 0.000 0.303 59 I C -0.009 176.126 176.117 0.029 0.000 1.044 59 I CA -1.098 60.214 61.300 0.021 0.000 1.064 59 I CB 1.555 39.557 38.000 0.003 0.000 1.249 59 I HN 0.761 nan 8.210 nan 0.000 0.433 60 L N 1.487 122.721 121.223 0.018 0.000 3.717 60 L HA -0.241 4.099 4.340 -0.000 0.000 0.414 60 L C 0.528 177.430 176.870 0.055 0.000 1.228 60 L CA 0.544 55.397 54.840 0.021 0.000 0.918 60 L CB -1.861 40.212 42.059 0.023 0.000 1.865 60 L HN 0.964 nan 8.230 nan 0.000 0.922 61 A N -0.416 122.448 122.820 0.074 0.000 2.274 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C 1.292 178.966 177.584 0.149 0.000 1.191 61 A CA 0.104 52.213 52.037 0.121 0.000 0.889 61 A CB 0.256 19.335 19.000 0.133 0.000 1.294 61 A HN 0.296 nan 8.150 nan 0.000 0.506 62 N N -0.856 117.985 118.700 0.234 0.000 2.270 62 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 62 N C 1.236 176.935 175.510 0.315 0.000 1.016 62 N CA 1.175 54.420 53.050 0.325 0.000 0.870 62 N CB -0.432 38.310 38.487 0.424 0.000 0.979 62 N HN 0.664 nan 8.380 nan 0.000 0.431 63 F N 1.405 121.418 119.950 0.105 0.000 2.449 63 F HA -0.086 4.441 4.527 0.000 0.000 0.299 63 F C 1.616 177.418 175.800 0.004 0.000 1.092 63 F CA 0.535 58.574 58.000 0.065 0.000 1.446 63 F CB 0.224 39.255 39.000 0.053 0.000 1.084 63 F HN -0.035 nan 8.300 nan 0.000 0.567 64 S N -0.546 115.192 115.700 0.063 0.000 2.597 64 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 64 S C 0.354 174.852 174.600 -0.170 0.000 0.955 64 S CA -0.120 58.050 58.200 -0.049 0.000 0.933 64 S CB -0.269 62.915 63.200 -0.026 0.000 0.788 64 S HN 0.373 nan 8.310 nan 0.000 0.488 65 E N 0.614 120.636 120.200 -0.295 0.000 2.476 65 E HA -0.315 4.035 4.350 -0.000 0.000 0.251 65 E C 1.014 177.195 176.600 -0.698 0.000 1.130 65 E CA 0.604 56.590 56.400 -0.690 0.000 0.736 65 E CB -1.302 28.215 29.700 -0.305 0.000 1.298 65 E HN 0.758 nan 8.360 nan 0.000 0.400 66 Q N -0.222 119.305 119.800 -0.456 0.000 2.224 66 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 66 Q C 1.684 177.614 176.000 -0.117 0.000 0.970 66 Q CA 2.021 57.720 55.803 -0.174 0.000 0.865 66 Q CB -0.803 27.928 28.738 -0.011 0.000 0.922 66 Q HN 0.651 nan 8.270 nan 0.000 0.445 67 F N -0.578 119.433 119.950 0.102 0.000 2.408 67 F HA 0.218 4.745 4.527 -0.000 0.000 0.300 67 F C 1.818 177.663 175.800 0.076 0.000 1.090 67 F CA 0.480 58.532 58.000 0.087 0.000 1.427 67 F CB -0.466 38.582 39.000 0.080 0.000 1.070 67 F HN 0.170 nan 8.300 nan 0.000 0.549 68 A N 1.107 123.895 122.820 -0.054 0.000 2.275 68 A HA 0.379 4.699 4.320 -0.000 0.000 0.212 68 A C 0.855 178.467 177.584 0.046 0.000 1.201 68 A CA 0.057 52.120 52.037 0.044 0.000 0.843 68 A CB -0.766 18.212 19.000 -0.036 0.000 0.873 68 A HN 0.560 nan 8.150 nan 0.000 0.492 69 I N -3.624 116.985 120.570 0.064 0.000 3.067 69 I HA 0.725 4.894 4.170 -0.000 0.000 0.312 69 I C 0.028 176.189 176.117 0.074 0.000 1.073 69 I CA -0.710 60.642 61.300 0.087 0.000 1.016 69 I CB 2.005 40.075 38.000 0.118 0.000 1.227 69 I HN 0.027 nan 8.210 nan 0.000 0.456 70 T N -1.679 112.915 114.554 0.067 0.000 2.936 70 T HA 0.314 4.664 4.350 -0.000 0.000 0.282 70 T C 0.450 175.183 174.700 0.055 0.000 1.003 70 T CA -0.398 61.737 62.100 0.058 0.000 1.005 70 T CB 1.405 70.300 68.868 0.045 0.000 1.097 70 T HN 0.628 nan 8.240 nan 0.000 0.532 71 D N 0.471 120.901 120.400 0.051 0.000 2.123 71 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 71 D C 1.611 177.928 176.300 0.028 0.000 0.992 71 D CA 1.220 55.245 54.000 0.041 0.000 0.833 71 D CB -0.289 40.528 40.800 0.028 0.000 0.954 71 D HN 0.580 nan 8.370 nan 0.000 0.455 72 D N 0.674 121.090 120.400 0.025 0.000 2.123 72 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 72 D C 1.970 178.284 176.300 0.024 0.000 0.992 72 D CA 0.802 54.814 54.000 0.020 0.000 0.833 72 D CB -0.201 40.610 40.800 0.018 0.000 0.954 72 D HN 0.399 nan 8.370 nan 0.000 0.455 73 E N 0.305 120.526 120.200 0.034 0.000 2.077 73 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 73 E C 2.251 178.868 176.600 0.029 0.000 0.989 73 E CA 0.549 56.973 56.400 0.039 0.000 0.800 73 E CB 0.024 29.763 29.700 0.065 0.000 0.746 73 E HN 0.189 nan 8.360 nan 0.000 0.452 74 R N 0.630 121.149 120.500 0.031 0.000 2.091 74 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 74 R C 2.051 178.360 176.300 0.014 0.000 1.136 74 R CA 1.812 57.926 56.100 0.024 0.000 0.959 74 R CB -0.206 30.114 30.300 0.033 0.000 0.856 74 R HN 0.148 nan 8.270 nan 0.000 0.437 75 D N -0.430 119.978 120.400 0.013 0.000 2.117 75 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 75 D C 1.750 178.053 176.300 0.005 0.000 0.982 75 D CA 0.782 54.786 54.000 0.007 0.000 0.828 75 D CB 0.229 41.031 40.800 0.004 0.000 0.967 75 D HN -0.070 nan 8.370 nan 0.000 0.464 76 V N 0.501 120.420 119.914 0.007 0.000 2.287 76 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 76 V C 2.557 178.650 176.094 -0.001 0.000 1.053 76 V CA 1.387 63.690 62.300 0.005 0.000 1.027 76 V CB -0.505 31.323 31.823 0.009 0.000 0.646 76 V HN 0.333 nan 8.190 nan 0.000 0.447 77 L N -0.592 120.628 121.223 -0.004 0.000 2.141 77 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 77 L C 2.586 179.450 176.870 -0.009 0.000 1.094 77 L CA 1.747 56.578 54.840 -0.015 0.000 0.763 77 L CB -0.814 41.230 42.059 -0.026 0.000 0.908 77 L HN 0.352 nan 8.230 nan 0.000 0.437 78 T N -0.800 113.753 114.554 -0.002 0.000 2.777 78 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 78 T C 2.062 176.763 174.700 0.002 0.000 1.040 78 T CA 1.145 63.245 62.100 -0.000 0.000 1.141 78 T CB -0.063 68.806 68.868 0.001 0.000 0.868 78 T HN 0.276 nan 8.240 nan 0.000 0.444 79 R N 0.438 120.941 120.500 0.003 0.000 2.062 79 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 79 R C 2.831 179.140 176.300 0.015 0.000 1.128 79 R CA 1.518 57.623 56.100 0.007 0.000 0.960 79 R CB -0.683 29.621 30.300 0.006 0.000 0.855 79 R HN 0.255 nan 8.270 nan 0.000 0.432 80 T N 1.454 116.014 114.554 0.010 0.000 2.665 80 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 80 T C 1.891 176.613 174.700 0.037 0.000 1.035 80 T CA 1.431 63.540 62.100 0.015 0.000 1.151 80 T CB -0.162 68.701 68.868 -0.009 0.000 0.862 80 T HN 0.140 nan 8.240 nan 0.000 0.438 81 I N 0.354 120.938 120.570 0.023 0.000 2.233 81 I HA -0.085 4.085 4.170 -0.000 0.000 0.243 81 I C 2.309 178.453 176.117 0.045 0.000 1.093 81 I CA 0.982 62.304 61.300 0.037 0.000 1.380 81 I CB -0.400 37.603 38.000 0.005 0.000 1.067 81 I HN 0.176 nan 8.210 nan 0.000 0.413 82 L N 0.524 121.760 121.223 0.022 0.000 2.013 82 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 82 L C 2.573 179.454 176.870 0.018 0.000 1.073 82 L CA 1.700 56.547 54.840 0.012 0.000 0.753 82 L CB -0.667 41.393 42.059 0.003 0.000 0.890 82 L HN 0.280 nan 8.230 nan 0.000 0.432 83 E N -1.111 119.110 120.200 0.034 0.000 2.051 83 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 83 E C 2.114 178.742 176.600 0.047 0.000 0.991 83 E CA 1.413 57.834 56.400 0.036 0.000 0.799 83 E CB -0.185 29.542 29.700 0.045 0.000 0.748 83 E HN 0.490 nan 8.360 nan 0.000 0.449 84 H N 0.375 119.440 119.070 -0.010 0.000 2.387 84 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 84 H C 1.973 177.293 175.328 -0.014 0.000 1.090 84 H CA 1.281 57.324 56.048 -0.008 0.000 1.332 84 H CB -0.022 29.737 29.762 -0.005 0.000 1.386 84 H HN -0.073 nan 8.280 nan 0.000 0.516 85 V N 0.334 120.239 119.914 -0.015 0.000 2.392 85 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 85 V C 1.653 177.688 176.094 -0.099 0.000 1.059 85 V CA 1.174 63.434 62.300 -0.066 0.000 1.051 85 V CB -1.286 30.515 31.823 -0.037 0.000 0.658 85 V HN 0.761 nan 8.190 nan 0.000 0.455 86 A N -0.716 122.059 122.820 -0.076 0.000 2.791 86 A HA -0.010 4.310 4.320 -0.000 0.000 0.292 86 A C 1.631 179.183 177.584 -0.054 0.000 1.487 86 A CA 1.044 53.038 52.037 -0.071 0.000 0.760 86 A CB -1.808 17.127 19.000 -0.108 0.000 1.031 86 A HN 2.034 nan 8.150 nan 0.000 0.503 87 G N -1.809 106.967 108.800 -0.040 0.000 2.189 87 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.267 87 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.267 87 G C 0.881 175.761 174.900 -0.034 0.000 0.975 87 G CA 1.407 46.491 45.100 -0.028 0.000 0.644 87 G HN 1.057 nan 8.290 nan 0.000 0.537 88 R N -0.453 120.015 120.500 -0.053 0.000 2.075 88 R HA 0.257 4.597 4.340 -0.000 0.000 0.232 88 R C 1.397 177.660 176.300 -0.062 0.000 1.126 88 R CA 1.838 57.903 56.100 -0.059 0.000 0.963 88 R CB -0.045 30.209 30.300 -0.077 0.000 0.858 88 R HN 0.949 nan 8.270 nan 0.000 0.435 89 V N -2.462 117.406 119.914 -0.077 0.000 3.007 89 V HA 0.509 4.629 4.120 -0.000 0.000 0.311 89 V C -2.778 173.267 176.094 -0.081 0.000 1.120 89 V CA -2.956 59.284 62.300 -0.100 0.000 0.980 89 V CB 2.192 33.902 31.823 -0.189 0.000 1.033 89 V HN -0.106 nan 8.190 nan 0.000 0.429 90 P HA 0.334 nan 4.420 nan 0.000 0.271 90 P C -0.720 176.553 177.300 -0.045 0.000 1.216 90 P CA 0.012 63.096 63.100 -0.027 0.000 0.776 90 P CB 1.186 32.877 31.700 -0.016 0.000 0.881 91 V N 4.416 124.310 119.914 -0.033 0.000 2.495 91 V HA 0.347 4.466 4.120 -0.000 0.000 0.298 91 V C 0.536 176.620 176.094 -0.017 0.000 1.031 91 V CA -0.684 61.607 62.300 -0.015 0.000 0.871 91 V CB 1.577 33.387 31.823 -0.023 0.000 0.988 91 V HN 0.384 nan 8.190 nan 0.000 0.432 92 I N 4.775 125.357 120.570 0.021 0.000 2.325 92 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 92 I C -0.400 175.712 176.117 -0.007 0.000 1.019 92 I CA -0.489 60.794 61.300 -0.028 0.000 1.302 92 I CB 1.603 39.602 38.000 -0.002 0.000 1.401 92 I HN 0.276 nan 8.210 nan 0.000 0.485 93 V N 5.571 125.472 119.914 -0.021 0.000 2.370 93 V HA 0.191 4.311 4.120 -0.000 0.000 0.279 93 V C 0.382 176.483 176.094 0.012 0.000 1.029 93 V CA -0.529 61.770 62.300 -0.001 0.000 0.870 93 V CB 1.497 33.316 31.823 -0.006 0.000 0.984 93 V HN 0.711 nan 8.190 nan 0.000 0.451 94 T N 3.767 118.342 114.554 0.034 0.000 2.834 94 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 94 T C 0.980 175.721 174.700 0.068 0.000 0.966 94 T CA 0.327 62.462 62.100 0.060 0.000 1.141 94 T CB 0.587 69.504 68.868 0.081 0.000 0.905 94 T HN 0.977 nan 8.240 nan 0.000 0.535 95 T N -0.995 113.609 114.554 0.083 0.000 3.170 95 T HA 0.206 4.556 4.350 -0.000 0.000 0.288 95 T C 0.640 175.425 174.700 0.141 0.000 0.992 95 T CA -0.572 61.579 62.100 0.085 0.000 0.909 95 T CB 0.112 69.008 68.868 0.046 0.000 1.133 95 T HN 0.374 nan 8.240 nan 0.000 0.530 96 S N 2.603 118.406 115.700 0.172 0.000 2.642 96 S HA 0.224 4.694 4.470 -0.000 0.000 0.308 96 S C -0.290 174.457 174.600 0.246 0.000 1.255 96 S CA 0.236 58.564 58.200 0.214 0.000 1.057 96 S CB -0.131 63.180 63.200 0.185 0.000 0.785 96 S HN 0.813 nan 8.310 nan 0.000 0.500 97 H N 0.210 119.380 119.070 0.166 0.000 3.068 97 H HA 0.244 4.800 4.556 -0.000 0.000 0.342 97 H C 0.007 175.434 175.328 0.165 0.000 1.284 97 H CA -0.743 55.383 56.048 0.130 0.000 1.181 97 H CB 0.326 30.155 29.762 0.113 0.000 1.898 97 H HN 0.444 nan 8.280 nan 0.000 0.540 98 Y N 2.432 122.554 120.300 -0.296 0.000 2.145 98 Y HA -0.064 4.486 4.550 -0.000 0.000 0.286 98 Y C 1.122 177.144 175.900 0.203 0.000 1.145 98 Y CA 1.921 59.947 58.100 -0.123 0.000 1.148 98 Y CB -0.085 38.219 38.460 -0.259 0.000 0.981 98 Y HN 0.435 nan 8.280 nan 0.000 0.507 99 S N 0.270 116.349 115.700 0.631 0.000 2.510 99 S HA 0.019 4.489 4.470 -0.000 0.000 0.279 99 S C 1.142 175.912 174.600 0.284 0.000 1.284 99 S CA 0.220 58.678 58.200 0.430 0.000 1.059 99 S CB 0.838 64.237 63.200 0.332 0.000 0.901 99 S HN 0.520 nan 8.310 nan 0.000 0.491 100 T N 5.417 120.070 114.554 0.165 0.000 2.684 100 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 100 T C 1.820 176.405 174.700 -0.193 0.000 1.036 100 T CA 1.887 63.888 62.100 -0.166 0.000 1.148 100 T CB -0.326 68.471 68.868 -0.118 0.000 0.863 100 T HN 0.770 nan 8.240 nan 0.000 0.436 101 Q N 0.187 119.943 119.800 -0.074 0.000 2.084 101 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 101 Q C 2.586 178.524 176.000 -0.104 0.000 0.978 101 Q CA 1.102 56.854 55.803 -0.085 0.000 0.844 101 Q CB -0.383 28.329 28.738 -0.044 0.000 0.898 101 Q HN 0.347 nan 8.270 nan 0.000 0.426 102 V N 0.203 120.057 119.914 -0.100 0.000 2.343 102 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 102 V C 2.342 178.349 176.094 -0.145 0.000 1.051 102 V CA 1.604 63.791 62.300 -0.187 0.000 1.036 102 V CB -0.559 30.988 31.823 -0.461 0.000 0.654 102 V HN 0.596 nan 8.190 nan 0.000 0.451 103 C N 0.461 119.707 119.300 -0.090 0.000 2.446 103 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 103 C C 3.103 177.998 174.990 -0.159 0.000 1.275 103 C CA 0.778 59.745 59.018 -0.084 0.000 1.727 103 C CB -1.216 26.460 27.740 -0.106 0.000 2.010 103 C HN 0.577 nan 8.230 nan 0.000 0.486 104 A N 0.428 123.114 122.820 -0.223 0.000 1.908 104 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 104 A C 2.468 179.982 177.584 -0.118 0.000 1.181 104 A CA 2.365 54.290 52.037 -0.186 0.000 0.627 104 A CB -1.122 17.767 19.000 -0.185 0.000 0.818 104 A HN 0.865 nan 8.150 nan 0.000 0.445 105 A N -0.424 122.332 122.820 -0.105 0.000 1.898 105 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 105 A C 2.229 179.773 177.584 -0.067 0.000 1.181 105 A CA 1.418 53.406 52.037 -0.080 0.000 0.620 105 A CB -0.417 18.535 19.000 -0.080 0.000 0.819 105 A HN 0.539 nan 8.150 nan 0.000 0.442 106 R N -0.179 120.280 120.500 -0.068 0.000 2.096 106 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 106 R C 2.475 178.753 176.300 -0.036 0.000 1.127 106 R CA 1.585 57.660 56.100 -0.043 0.000 0.968 106 R CB -0.291 29.994 30.300 -0.025 0.000 0.861 106 R HN 0.510 nan 8.270 nan 0.000 0.440 107 S N 1.088 116.759 115.700 -0.048 0.000 2.357 107 S HA -0.100 4.370 4.470 -0.000 0.000 0.221 107 S C 1.793 176.367 174.600 -0.044 0.000 1.031 107 S CA 0.788 58.961 58.200 -0.045 0.000 0.982 107 S CB -0.222 62.941 63.200 -0.062 0.000 0.853 107 S HN 0.161 nan 8.310 nan 0.000 0.458 108 L N 2.405 123.597 121.223 -0.051 0.000 2.012 108 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 108 L C 2.343 179.193 176.870 -0.033 0.000 1.073 108 L CA 1.872 56.687 54.840 -0.042 0.000 0.748 108 L CB -0.560 41.472 42.059 -0.045 0.000 0.891 108 L HN 0.177 nan 8.230 nan 0.000 0.431 109 R N -0.409 120.072 120.500 -0.032 0.000 2.091 109 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 109 R C 2.177 178.465 176.300 -0.020 0.000 1.136 109 R CA 1.587 57.672 56.100 -0.025 0.000 0.959 109 R CB -0.552 29.733 30.300 -0.025 0.000 0.856 109 R HN 0.498 nan 8.270 nan 0.000 0.437 110 A N 0.650 123.458 122.820 -0.021 0.000 1.908 110 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 110 A C 2.151 179.724 177.584 -0.019 0.000 1.181 110 A CA 1.689 53.716 52.037 -0.018 0.000 0.627 110 A CB -0.751 18.238 19.000 -0.018 0.000 0.818 110 A HN 0.656 nan 8.150 nan 0.000 0.445 111 Q N -0.555 119.232 119.800 -0.023 0.000 2.061 111 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 111 Q C 2.178 178.168 176.000 -0.016 0.000 0.984 111 Q CA 2.056 57.846 55.803 -0.021 0.000 0.846 111 Q CB -0.231 28.492 28.738 -0.024 0.000 0.902 111 Q HN 0.784 nan 8.270 nan 0.000 0.421 112 Q N -0.157 119.634 119.800 -0.016 0.000 2.170 112 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 112 Q C 1.916 177.910 176.000 -0.010 0.000 0.976 112 Q CA 1.042 56.837 55.803 -0.013 0.000 0.858 112 Q CB 0.074 28.804 28.738 -0.014 0.000 0.907 112 Q HN 0.442 nan 8.270 nan 0.000 0.433 113 L N -1.222 119.995 121.223 -0.010 0.000 2.599 113 L HA 0.134 4.474 4.340 -0.000 0.000 0.230 113 L C 1.059 177.925 176.870 -0.007 0.000 1.141 113 L CA 0.497 55.332 54.840 -0.007 0.000 0.877 113 L CB 0.204 42.260 42.059 -0.006 0.000 1.009 113 L HN 0.403 nan 8.230 nan 0.000 0.447 114 G N -0.391 108.404 108.800 -0.008 0.000 2.159 114 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.170 114 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.170 114 G C 0.324 175.218 174.900 -0.010 0.000 1.007 114 G CA -0.244 44.851 45.100 -0.007 0.000 0.672 114 G HN 0.396 nan 8.290 nan 0.000 0.507 115 A N 0.195 123.006 122.820 -0.016 0.000 2.498 115 A HA 0.749 5.069 4.320 -0.000 0.000 0.239 115 A C 1.620 179.186 177.584 -0.029 0.000 1.068 115 A CA 1.136 53.158 52.037 -0.026 0.000 0.766 115 A CB 0.653 19.634 19.000 -0.031 0.000 1.003 115 A HN 1.726 nan 8.150 nan 0.000 0.497 116 A N 2.094 124.886 122.820 -0.047 0.000 2.081 116 A HA 0.457 4.777 4.320 -0.000 0.000 0.214 116 A C 0.769 178.294 177.584 -0.098 0.000 1.158 116 A CA 1.337 53.345 52.037 -0.049 0.000 0.724 116 A CB -0.099 18.848 19.000 -0.088 0.000 0.826 116 A HN 1.038 nan 8.150 nan 0.000 0.463 117 M N -0.505 119.013 119.600 -0.136 0.000 2.562 117 M HA 0.461 4.941 4.480 -0.000 0.000 0.281 117 M C -1.980 174.239 176.300 -0.135 0.000 1.195 117 M CA -0.749 54.438 55.300 -0.189 0.000 0.888 117 M CB 2.073 34.442 32.600 -0.384 0.000 1.731 117 M HN 0.174 nan 8.290 nan 0.000 0.493 118 V N 0.906 120.751 119.914 -0.116 0.000 2.919 118 V HA 0.794 4.914 4.120 -0.000 0.000 0.316 118 V C -0.951 175.103 176.094 -0.068 0.000 1.077 118 V CA -0.794 61.465 62.300 -0.068 0.000 0.977 118 V CB 2.002 33.807 31.823 -0.031 0.000 1.039 118 V HN 1.051 nan 8.190 nan 0.000 0.441 119 M N 3.122 122.711 119.600 -0.018 0.000 2.393 119 M HA 0.869 5.349 4.480 -0.000 0.000 0.316 119 M C -0.830 175.528 176.300 0.097 0.000 1.087 119 M CA -0.595 54.711 55.300 0.011 0.000 0.937 119 M CB 1.868 34.470 32.600 0.003 0.000 1.668 119 M HN 1.204 nan 8.290 nan 0.000 0.438 120 A N 5.859 128.783 122.820 0.173 0.000 2.408 120 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 120 A C -0.650 177.113 177.584 0.298 0.000 1.040 120 A CA -0.874 51.316 52.037 0.256 0.000 0.707 120 A CB 1.442 20.646 19.000 0.341 0.000 1.235 120 A HN 0.856 nan 8.150 nan 0.000 0.418 121 M N 3.365 123.109 119.600 0.241 0.000 2.245 121 M HA 0.151 4.631 4.480 -0.000 0.000 0.312 121 M C -1.918 174.487 176.300 0.175 0.000 1.070 121 M CA -1.253 54.192 55.300 0.241 0.000 1.162 121 M CB -0.471 32.306 32.600 0.295 0.000 1.448 121 M HN 0.510 nan 8.290 nan 0.000 0.446 122 P HA 0.181 nan 4.420 nan 0.000 0.272 122 P C -2.667 174.489 177.300 -0.240 0.000 1.223 122 P CA -1.081 61.970 63.100 -0.083 0.000 0.784 122 P CB -0.641 31.126 31.700 0.112 0.000 0.923 123 P HA 0.094 nan 4.420 nan 0.000 0.271 123 P C -0.943 176.256 177.300 -0.169 0.000 1.220 123 P CA 0.712 63.416 63.100 -0.660 0.000 0.768 123 P CB -0.139 30.894 31.700 -1.110 0.000 0.848 124 Y N -0.240 120.048 120.300 -0.021 0.000 2.750 124 Y HA 0.625 5.175 4.550 -0.000 0.000 0.335 124 Y C -1.666 174.468 175.900 0.391 0.000 1.252 124 Y CA -1.163 57.053 58.100 0.193 0.000 1.064 124 Y CB 1.270 39.779 38.460 0.083 0.000 1.321 124 Y HN 0.485 nan 8.280 nan 0.000 0.451 125 H N 0.759 119.954 119.070 0.209 0.000 2.947 125 H HA 0.501 5.057 4.556 -0.000 0.000 0.354 125 H C 0.293 175.834 175.328 0.355 0.000 1.085 125 H CA -0.083 55.986 56.048 0.034 0.000 1.253 125 H CB 1.777 31.474 29.762 -0.109 0.000 1.757 125 H HN 1.530 nan 8.280 nan 0.000 0.523 126 G N 1.954 110.516 108.800 -0.397 0.000 2.598 126 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.269 126 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.269 126 G C 0.782 175.709 174.900 0.045 0.000 1.289 126 G CA 0.446 45.402 45.100 -0.240 0.000 0.926 126 G HN 0.971 nan 8.290 nan 0.000 0.567 127 A N -1.422 121.385 122.820 -0.022 0.000 2.218 127 A HA 0.467 4.787 4.320 -0.000 0.000 0.209 127 A C 2.115 179.663 177.584 -0.061 0.000 1.168 127 A CA 2.505 54.520 52.037 -0.037 0.000 0.804 127 A CB -0.278 18.686 19.000 -0.061 0.000 0.834 127 A HN 2.115 nan 8.150 nan 0.000 0.482 128 T N -4.885 109.604 114.554 -0.108 0.000 2.969 128 T HA 0.371 4.721 4.350 -0.000 0.000 0.258 128 T C -0.075 174.437 174.700 -0.313 0.000 0.962 128 T CA -0.307 61.634 62.100 -0.264 0.000 0.903 128 T CB -0.263 68.331 68.868 -0.457 0.000 1.177 128 T HN 0.048 nan 8.240 nan 0.000 0.511 129 F N 2.487 122.505 119.950 0.112 0.000 2.404 129 F HA 0.808 5.335 4.527 -0.000 0.000 0.358 129 F C 0.708 176.638 175.800 0.217 0.000 1.120 129 F CA -1.007 57.084 58.000 0.152 0.000 1.144 129 F CB 0.788 39.874 39.000 0.143 0.000 1.133 129 F HN -0.147 nan 8.300 nan 0.000 0.495 130 R N 0.909 121.589 120.500 0.300 0.000 2.905 130 R HA 0.863 5.203 4.340 -0.000 0.000 0.260 130 R C -1.594 174.819 176.300 0.188 0.000 1.086 130 R CA -1.087 55.149 56.100 0.226 0.000 0.978 130 R CB 2.105 32.470 30.300 0.109 0.000 1.215 130 R HN 0.337 nan 8.270 nan 0.000 0.480 131 V N 2.355 122.325 119.914 0.093 0.000 2.638 131 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 131 V C -2.267 173.833 176.094 0.010 0.000 1.052 131 V CA -1.832 60.492 62.300 0.040 0.000 0.885 131 V CB 1.952 33.730 31.823 -0.074 0.000 0.999 131 V HN 0.688 nan 8.190 nan 0.000 0.424 132 P HA 0.125 nan 4.420 nan 0.000 0.269 132 P C 0.947 178.227 177.300 -0.034 0.000 1.215 132 P CA -0.027 63.066 63.100 -0.012 0.000 0.780 132 P CB 0.842 32.547 31.700 0.009 0.000 0.898 133 E N 1.809 121.938 120.200 -0.118 0.000 2.086 133 E HA -0.314 4.036 4.350 -0.000 0.000 0.200 133 E C 1.795 178.408 176.600 0.022 0.000 1.012 133 E CA 1.768 58.018 56.400 -0.250 0.000 0.812 133 E CB -0.405 29.027 29.700 -0.446 0.000 0.743 133 E HN 0.514 nan 8.360 nan 0.000 0.453 134 A N 0.281 123.132 122.820 0.051 0.000 1.948 134 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 134 A C 2.060 179.774 177.584 0.217 0.000 1.177 134 A CA 1.887 54.002 52.037 0.131 0.000 0.636 134 A CB -0.476 18.558 19.000 0.057 0.000 0.815 134 A HN 0.254 nan 8.150 nan 0.000 0.449 135 Q N -0.561 119.333 119.800 0.156 0.000 2.269 135 Q HA 0.169 4.509 4.340 -0.000 0.000 0.201 135 Q C 1.849 177.975 176.000 0.209 0.000 0.946 135 Q CA 0.825 56.725 55.803 0.161 0.000 0.877 135 Q CB -0.294 28.497 28.738 0.088 0.000 0.963 135 Q HN 0.762 nan 8.270 nan 0.000 0.472 136 I N -0.489 120.209 120.570 0.214 0.000 2.226 136 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 136 I C 1.820 178.271 176.117 0.556 0.000 1.100 136 I CA 0.962 62.431 61.300 0.281 0.000 1.374 136 I CB -0.265 37.910 38.000 0.292 0.000 1.057 136 I HN 0.170 nan 8.210 nan 0.000 0.413 137 F N 2.077 122.342 119.950 0.524 0.000 2.095 137 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 137 F C 2.397 178.380 175.800 0.306 0.000 1.104 137 F CA 1.833 60.102 58.000 0.448 0.000 1.232 137 F CB -0.278 38.961 39.000 0.397 0.000 0.987 137 F HN 0.033 nan 8.300 nan 0.000 0.475 138 E N -0.522 120.001 120.200 0.538 0.000 2.077 138 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 138 E C 2.112 178.842 176.600 0.216 0.000 0.989 138 E CA 1.554 58.160 56.400 0.344 0.000 0.800 138 E CB -0.567 29.287 29.700 0.256 0.000 0.746 138 E HN 0.513 nan 8.360 nan 0.000 0.452 139 F N 0.493 120.463 119.950 0.033 0.000 2.065 139 F HA -0.308 4.219 4.527 -0.000 0.000 0.298 139 F C 1.845 177.550 175.800 -0.158 0.000 1.112 139 F CA 1.647 59.579 58.000 -0.113 0.000 1.212 139 F CB -0.323 38.538 39.000 -0.232 0.000 0.975 139 F HN 0.015 nan 8.300 nan 0.000 0.476 140 Y N 0.141 120.588 120.300 0.244 0.000 2.314 140 Y HA -0.017 4.533 4.550 -0.000 0.000 0.293 140 Y C 2.565 178.369 175.900 -0.160 0.000 1.129 140 Y CA 1.016 59.121 58.100 0.009 0.000 1.201 140 Y CB -1.238 37.214 38.460 -0.014 0.000 0.999 140 Y HN 0.181 nan 8.280 nan 0.000 0.541 141 A N 0.362 123.160 122.820 -0.036 0.000 1.908 141 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 141 A C 2.248 179.801 177.584 -0.050 0.000 1.181 141 A CA 1.850 53.843 52.037 -0.072 0.000 0.627 141 A CB -0.486 18.521 19.000 0.013 0.000 0.818 141 A HN 0.412 nan 8.150 nan 0.000 0.445 142 R N -0.931 119.527 120.500 -0.069 0.000 2.093 142 R HA 0.009 4.349 4.340 -0.000 0.000 0.224 142 R C 2.012 178.218 176.300 -0.157 0.000 1.101 142 R CA 1.137 57.178 56.100 -0.099 0.000 0.979 142 R CB -0.379 29.858 30.300 -0.105 0.000 0.877 142 R HN 0.387 nan 8.270 nan 0.000 0.441 143 V N 0.306 120.072 119.914 -0.248 0.000 2.295 143 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 143 V C 2.365 178.385 176.094 -0.122 0.000 1.049 143 V CA 2.099 64.255 62.300 -0.240 0.000 1.024 143 V CB -0.544 31.074 31.823 -0.342 0.000 0.648 143 V HN 0.355 nan 8.190 nan 0.000 0.447 144 S N 0.065 115.716 115.700 -0.082 0.000 2.359 144 S HA -0.305 4.165 4.470 -0.000 0.000 0.223 144 S C 1.794 176.361 174.600 -0.054 0.000 1.039 144 S CA 2.189 60.354 58.200 -0.058 0.000 1.042 144 S CB -0.593 62.572 63.200 -0.058 0.000 0.915 144 S HN 0.647 nan 8.310 nan 0.000 0.439 145 D N 1.102 121.470 120.400 -0.053 0.000 2.190 145 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 145 D C 1.984 178.258 176.300 -0.044 0.000 0.992 145 D CA 1.283 55.259 54.000 -0.040 0.000 0.854 145 D CB -0.514 40.265 40.800 -0.034 0.000 0.936 145 D HN 0.536 nan 8.370 nan 0.000 0.462 146 A N 0.115 122.899 122.820 -0.061 0.000 2.119 146 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 146 A C 1.278 178.832 177.584 -0.050 0.000 1.152 146 A CA 0.273 52.275 52.037 -0.059 0.000 0.708 146 A CB -0.309 18.643 19.000 -0.081 0.000 0.805 146 A HN 0.401 nan 8.150 nan 0.000 0.460 147 I N -7.303 113.239 120.570 -0.048 0.000 3.145 147 I HA 0.783 4.953 4.170 -0.000 0.000 0.313 147 I C 0.022 176.121 176.117 -0.031 0.000 1.122 147 I CA -0.839 60.437 61.300 -0.040 0.000 0.987 147 I CB 2.244 40.217 38.000 -0.046 0.000 1.236 147 I HN -0.143 nan 8.210 nan 0.000 0.453 148 A N 3.435 126.240 122.820 -0.025 0.000 2.609 148 A HA 0.565 4.885 4.320 -0.000 0.000 0.286 148 A C 0.203 177.780 177.584 -0.012 0.000 1.138 148 A CA -0.317 51.710 52.037 -0.017 0.000 0.960 148 A CB -0.276 18.717 19.000 -0.012 0.000 1.208 148 A HN 0.657 nan 8.150 nan 0.000 0.541 149 I N -3.148 117.411 120.570 -0.019 0.000 2.846 149 I HA 0.637 4.807 4.170 -0.000 0.000 0.307 149 I C -2.815 173.285 176.117 -0.029 0.000 1.053 149 I CA -3.091 58.199 61.300 -0.016 0.000 1.050 149 I CB 2.116 40.101 38.000 -0.025 0.000 1.239 149 I HN -0.176 nan 8.210 nan 0.000 0.439 150 P HA 0.222 nan 4.420 nan 0.000 0.269 150 P C -0.787 176.459 177.300 -0.091 0.000 1.215 150 P CA 0.245 63.326 63.100 -0.031 0.000 0.780 150 P CB 1.003 32.728 31.700 0.041 0.000 0.898 151 I N 2.050 122.565 120.570 -0.092 0.000 2.441 151 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 151 I C 0.667 176.652 176.117 -0.219 0.000 0.994 151 I CA -0.898 60.330 61.300 -0.119 0.000 1.144 151 I CB 1.633 39.593 38.000 -0.067 0.000 1.314 151 I HN 0.238 nan 8.210 nan 0.000 0.445 152 M N 6.906 126.366 119.600 -0.234 0.000 2.129 152 M HA 0.427 4.907 4.480 -0.000 0.000 0.348 152 M C -1.344 174.807 176.300 -0.249 0.000 1.116 152 M CA -0.616 54.487 55.300 -0.327 0.000 1.022 152 M CB 1.242 33.660 32.600 -0.305 0.000 1.599 152 M HN 0.293 nan 8.290 nan 0.000 0.449 153 V N 5.434 125.093 119.914 -0.426 0.000 2.432 153 V HA 0.158 4.278 4.120 -0.000 0.000 0.271 153 V C 0.026 176.111 176.094 -0.016 0.000 1.046 153 V CA -0.358 61.820 62.300 -0.203 0.000 0.945 153 V CB 1.103 32.730 31.823 -0.327 0.000 0.992 153 V HN 0.834 nan 8.190 nan 0.000 0.471 154 Q N 3.430 123.283 119.800 0.089 0.000 2.314 154 Q HA 0.222 4.562 4.340 -0.000 0.000 0.257 154 Q C -0.770 175.305 176.000 0.125 0.000 0.975 154 Q CA -0.459 55.407 55.803 0.106 0.000 0.933 154 Q CB 0.813 29.623 28.738 0.119 0.000 1.195 154 Q HN 0.811 nan 8.270 nan 0.000 0.426 155 D N 3.633 124.102 120.400 0.114 0.000 2.493 155 D HA 0.486 5.125 4.640 -0.000 0.000 0.235 155 D C -1.629 174.708 176.300 0.062 0.000 1.117 155 D CA -0.207 53.851 54.000 0.096 0.000 0.930 155 D CB 0.478 41.343 40.800 0.107 0.000 1.010 155 D HN 0.562 nan 8.370 nan 0.000 0.514 156 A N 3.752 126.596 122.820 0.039 0.000 2.498 156 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 156 A C -2.024 175.544 177.584 -0.027 0.000 1.075 156 A CA -1.409 50.640 52.037 0.020 0.000 0.714 156 A CB 1.623 20.650 19.000 0.045 0.000 1.299 156 A HN 0.307 nan 8.150 nan 0.000 0.407 157 P HA -0.110 nan 4.420 nan 0.000 0.219 157 P C 1.510 178.747 177.300 -0.105 0.000 1.146 157 P CA 1.990 65.058 63.100 -0.055 0.000 0.808 157 P CB 0.226 31.910 31.700 -0.028 0.000 0.779 158 A N -0.033 122.730 122.820 -0.094 0.000 2.067 158 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 158 A C 2.228 179.554 177.584 -0.430 0.000 1.158 158 A CA 1.861 53.810 52.037 -0.146 0.000 0.661 158 A CB -1.337 17.646 19.000 -0.028 0.000 0.801 158 A HN 0.348 nan 8.150 nan 0.000 0.452 159 S N -1.448 113.907 115.700 -0.575 0.000 2.489 159 S HA 0.282 4.752 4.470 -0.000 0.000 0.228 159 S C 1.574 175.755 174.600 -0.698 0.000 0.995 159 S CA 1.023 58.506 58.200 -1.194 0.000 0.934 159 S CB -0.736 62.097 63.200 -0.611 0.000 0.771 159 S HN 1.838 nan 8.310 nan 0.000 0.522 160 G N 0.836 109.426 108.800 -0.350 0.000 2.233 160 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.270 160 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.270 160 G C 0.074 174.896 174.900 -0.129 0.000 1.011 160 G CA 0.718 45.705 45.100 -0.188 0.000 0.762 160 G HN 0.651 nan 8.290 nan 0.000 0.511 161 T N 0.477 114.953 114.554 -0.129 0.000 2.786 161 T HA 0.675 5.025 4.350 -0.000 0.000 0.283 161 T C 0.386 175.064 174.700 -0.037 0.000 0.992 161 T CA 0.332 62.392 62.100 -0.066 0.000 0.954 161 T CB 1.744 70.588 68.868 -0.040 0.000 0.934 161 T HN 1.176 nan 8.240 nan 0.000 0.440 162 A N 4.352 127.150 122.820 -0.036 0.000 2.396 162 A HA 0.597 4.917 4.320 -0.000 0.000 0.279 162 A C -0.147 177.431 177.584 -0.010 0.000 1.165 162 A CA -0.323 51.699 52.037 -0.025 0.000 0.824 162 A CB -0.312 18.666 19.000 -0.038 0.000 1.100 162 A HN 0.867 nan 8.150 nan 0.000 0.516 163 L N 4.045 125.298 121.223 0.050 0.000 2.366 163 L HA 0.275 4.615 4.340 -0.000 0.000 0.266 163 L C 0.715 177.669 176.870 0.141 0.000 1.010 163 L CA -0.461 54.470 54.840 0.151 0.000 0.879 163 L CB 1.330 43.535 42.059 0.244 0.000 1.228 163 L HN 0.845 nan 8.230 nan 0.000 0.439 164 S N 1.359 117.137 115.700 0.130 0.000 2.589 164 S HA 0.328 4.798 4.470 -0.000 0.000 0.265 164 S C 1.390 176.039 174.600 0.082 0.000 1.342 164 S CA 0.037 58.288 58.200 0.085 0.000 1.005 164 S CB 1.708 64.949 63.200 0.069 0.000 0.909 164 S HN 0.613 nan 8.310 nan 0.000 0.555 165 A N 1.800 124.627 122.820 0.011 0.000 1.908 165 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 165 A C -0.374 177.187 177.584 -0.038 0.000 1.181 165 A CA 1.486 53.492 52.037 -0.051 0.000 0.627 165 A CB -2.128 16.829 19.000 -0.072 0.000 0.818 165 A HN 0.744 nan 8.150 nan 0.000 0.445 166 P HA -0.133 nan 4.420 nan 0.000 0.217 166 P C 1.459 178.813 177.300 0.091 0.000 1.150 166 P CA 0.946 64.069 63.100 0.038 0.000 0.832 166 P CB -0.132 31.604 31.700 0.060 0.000 0.787 167 F N -0.252 119.697 119.950 -0.001 0.000 2.163 167 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 167 F C 1.940 177.766 175.800 0.043 0.000 1.094 167 F CA 1.114 59.143 58.000 0.048 0.000 1.290 167 F CB -0.503 38.533 39.000 0.061 0.000 1.017 167 F HN -0.271 nan 8.300 nan 0.000 0.483 168 L N 0.094 121.282 121.223 -0.058 0.000 2.046 168 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 168 L C 2.814 179.522 176.870 -0.270 0.000 1.077 168 L CA 1.194 55.911 54.840 -0.205 0.000 0.747 168 L CB -1.065 40.837 42.059 -0.261 0.000 0.896 168 L HN 0.251 nan 8.230 nan 0.000 0.432 169 A N -0.143 122.535 122.820 -0.236 0.000 1.930 169 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 169 A C 2.404 179.925 177.584 -0.106 0.000 1.175 169 A CA 1.486 53.409 52.037 -0.191 0.000 0.627 169 A CB -0.499 18.412 19.000 -0.148 0.000 0.815 169 A HN 0.324 nan 8.150 nan 0.000 0.443 170 R N -0.786 119.663 120.500 -0.085 0.000 2.096 170 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 170 R C 2.139 178.432 176.300 -0.012 0.000 1.127 170 R CA 1.687 57.779 56.100 -0.013 0.000 0.968 170 R CB -0.314 30.016 30.300 0.050 0.000 0.861 170 R HN 0.532 nan 8.270 nan 0.000 0.440 171 M N -0.168 119.312 119.600 -0.199 0.000 2.108 171 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 171 M C 2.428 178.631 176.300 -0.162 0.000 1.066 171 M CA 1.898 57.018 55.300 -0.300 0.000 1.107 171 M CB -0.312 31.972 32.600 -0.526 0.000 1.356 171 M HN 0.338 nan 8.290 nan 0.000 0.406 172 A N 0.445 123.236 122.820 -0.049 0.000 1.898 172 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 172 A C 2.129 179.697 177.584 -0.026 0.000 1.181 172 A CA 1.428 53.471 52.037 0.009 0.000 0.620 172 A CB -0.571 18.504 19.000 0.126 0.000 0.819 172 A HN 0.448 nan 8.150 nan 0.000 0.442 173 R N -0.480 120.008 120.500 -0.019 0.000 2.092 173 R HA -0.076 4.263 4.340 -0.000 0.000 0.231 173 R C 1.688 177.996 176.300 0.013 0.000 1.119 173 R CA 1.538 57.635 56.100 -0.005 0.000 0.970 173 R CB -0.173 30.128 30.300 0.001 0.000 0.864 173 R HN 0.645 nan 8.270 nan 0.000 0.440 174 E N -0.227 119.995 120.200 0.037 0.000 2.431 174 E HA 0.151 4.500 4.350 -0.000 0.000 0.200 174 E C 0.062 176.686 176.600 0.041 0.000 0.995 174 E CA 0.138 56.595 56.400 0.095 0.000 0.915 174 E CB 0.622 30.483 29.700 0.270 0.000 0.930 174 E HN 0.188 nan 8.360 nan 0.000 0.496 175 I N 1.509 122.039 120.570 -0.067 0.000 2.354 175 I HA 0.063 4.233 4.170 -0.000 0.000 0.286 175 I C 1.256 177.320 176.117 -0.088 0.000 1.007 175 I CA -0.224 61.002 61.300 -0.124 0.000 1.167 175 I CB 1.701 39.535 38.000 -0.277 0.000 1.320 175 I HN 0.005 nan 8.210 nan 0.000 0.458 176 E N 4.399 124.566 120.200 -0.054 0.000 2.048 176 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 176 E C 1.287 177.855 176.600 -0.053 0.000 1.021 176 E CA 1.816 58.191 56.400 -0.042 0.000 0.825 176 E CB 0.287 29.971 29.700 -0.027 0.000 0.756 176 E HN 0.598 nan 8.360 nan 0.000 0.454 177 Q N -0.118 119.646 119.800 -0.060 0.000 2.378 177 Q HA 0.049 4.389 4.340 -0.000 0.000 0.205 177 Q C 0.339 176.283 176.000 -0.094 0.000 0.954 177 Q CA 0.202 55.971 55.803 -0.058 0.000 0.901 177 Q CB 0.275 28.983 28.738 -0.049 0.000 0.981 177 Q HN 0.157 nan 8.270 nan 0.000 0.483 178 V N 1.657 121.487 119.914 -0.140 0.000 2.425 178 V HA 0.165 4.285 4.120 -0.000 0.000 0.276 178 V C 0.826 176.780 176.094 -0.234 0.000 1.017 178 V CA 0.864 63.018 62.300 -0.242 0.000 1.062 178 V CB 0.578 32.221 31.823 -0.299 0.000 0.997 178 V HN 0.287 nan 8.190 nan 0.000 0.476 179 A N 4.439 127.059 122.820 -0.334 0.000 2.574 179 A HA 0.385 4.705 4.320 -0.000 0.000 0.170 179 A C -0.058 177.131 177.584 -0.659 0.000 1.617 179 A CA -0.006 51.842 52.037 -0.316 0.000 1.189 179 A CB 0.412 19.306 19.000 -0.176 0.000 1.496 179 A HN 0.582 nan 8.150 nan 0.000 0.505 180 Y N -1.469 118.362 120.300 -0.782 0.000 2.562 180 Y HA 0.784 5.334 4.550 -0.000 0.000 0.343 180 Y C -0.358 174.743 175.900 -1.333 0.000 1.025 180 Y CA -1.180 56.394 58.100 -0.877 0.000 1.082 180 Y CB 1.460 39.403 38.460 -0.861 0.000 1.264 180 Y HN 0.148 nan 8.280 nan 0.000 0.478 184 E N 2.388 122.618 120.200 0.050 0.000 2.810 184 E HA 0.118 4.468 4.350 -0.000 0.000 0.214 184 E C 0.335 176.948 176.600 0.022 0.000 0.980 184 E CA -0.068 56.351 56.400 0.032 0.000 1.159 184 E CB 1.400 31.118 29.700 0.030 0.000 1.047 184 E HN 0.727 nan 8.360 nan 0.000 0.484 185 T N -0.913 113.653 114.554 0.020 0.000 2.874 185 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 185 T C -2.481 172.223 174.700 0.006 0.000 0.994 185 T CA -1.971 60.135 62.100 0.010 0.000 1.015 185 T CB 1.169 70.041 68.868 0.008 0.000 1.028 185 T HN -0.286 nan 8.240 nan 0.000 0.523 186 P HA 0.317 nan 4.420 nan 0.000 0.266 186 P C 0.901 178.200 177.300 -0.002 0.000 1.195 186 P CA 0.972 64.073 63.100 0.001 0.000 0.768 186 P CB 0.070 31.769 31.700 -0.002 0.000 0.838 187 G N 2.244 111.042 108.800 -0.003 0.000 2.225 187 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 187 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 187 G C 1.073 175.967 174.900 -0.010 0.000 1.060 187 G CA 0.207 45.302 45.100 -0.008 0.000 0.833 187 G HN 0.659 nan 8.290 nan 0.000 0.498 188 A N -0.379 122.436 122.820 -0.007 0.000 1.940 188 A HA 0.270 4.590 4.320 -0.000 0.000 0.219 188 A C 2.823 180.396 177.584 -0.018 0.000 1.176 188 A CA 2.613 54.645 52.037 -0.007 0.000 0.631 188 A CB -0.689 18.312 19.000 0.001 0.000 0.814 188 A HN 1.921 nan 8.150 nan 0.000 0.446 189 A N 0.271 123.075 122.820 -0.026 0.000 1.877 189 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 189 A C 1.925 179.491 177.584 -0.030 0.000 1.186 189 A CA 1.825 53.840 52.037 -0.037 0.000 0.620 189 A CB -0.681 18.289 19.000 -0.050 0.000 0.822 189 A HN 0.522 nan 8.150 nan 0.000 0.443 190 N N -0.116 118.569 118.700 -0.025 0.000 2.094 190 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 190 N C 1.650 177.144 175.510 -0.027 0.000 1.023 190 N CA 1.811 54.847 53.050 -0.022 0.000 0.857 190 N CB -0.339 38.137 38.487 -0.018 0.000 1.013 190 N HN 0.690 nan 8.380 nan 0.000 0.426 191 K N 0.602 120.985 120.400 -0.029 0.000 2.062 191 K HA 0.045 4.365 4.320 -0.000 0.000 0.205 191 K C 2.030 178.594 176.600 -0.059 0.000 1.051 191 K CA 0.488 56.751 56.287 -0.040 0.000 0.941 191 K CB -0.073 32.408 32.500 -0.031 0.000 0.719 191 K HN 0.053 nan 8.250 nan 0.000 0.440 192 L N 0.597 121.791 121.223 -0.048 0.000 2.012 192 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 192 L C 2.775 179.613 176.870 -0.055 0.000 1.073 192 L CA 1.510 56.318 54.840 -0.053 0.000 0.748 192 L CB -0.394 41.649 42.059 -0.026 0.000 0.891 192 L HN 0.226 nan 8.230 nan 0.000 0.431 193 R N -0.024 120.454 120.500 -0.038 0.000 2.091 193 R HA -0.239 4.100 4.340 -0.000 0.000 0.238 193 R C 2.286 178.561 176.300 -0.040 0.000 1.136 193 R CA 1.940 58.023 56.100 -0.028 0.000 0.959 193 R CB -0.120 30.172 30.300 -0.014 0.000 0.856 193 R HN 0.392 nan 8.270 nan 0.000 0.437 194 E N -0.068 120.103 120.200 -0.049 0.000 2.072 194 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 194 E C 1.950 178.498 176.600 -0.087 0.000 0.982 194 E CA 0.867 57.234 56.400 -0.055 0.000 0.803 194 E CB -0.043 29.629 29.700 -0.047 0.000 0.755 194 E HN 0.250 nan 8.360 nan 0.000 0.453 195 L N 1.097 122.244 121.223 -0.127 0.000 2.042 195 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 195 L C 2.061 178.824 176.870 -0.178 0.000 1.076 195 L CA 1.632 56.346 54.840 -0.210 0.000 0.749 195 L CB -0.323 41.545 42.059 -0.317 0.000 0.893 195 L HN 0.227 nan 8.230 nan 0.000 0.432 196 I N -0.831 119.665 120.570 -0.123 0.000 2.252 196 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 196 I C 2.755 178.833 176.117 -0.065 0.000 1.102 196 I CA 1.346 62.595 61.300 -0.086 0.000 1.385 196 I CB -0.339 37.633 38.000 -0.045 0.000 1.064 196 I HN 0.297 nan 8.210 nan 0.000 0.414 197 R N 1.141 121.609 120.500 -0.054 0.000 2.083 197 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 197 R C 2.273 178.547 176.300 -0.044 0.000 1.137 197 R CA 1.654 57.731 56.100 -0.038 0.000 0.951 197 R CB -0.207 30.076 30.300 -0.029 0.000 0.851 197 R HN 0.321 nan 8.270 nan 0.000 0.434 198 L N -1.108 120.079 121.223 -0.060 0.000 2.179 198 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 198 L C 2.365 179.197 176.870 -0.063 0.000 1.096 198 L CA 1.082 55.888 54.840 -0.056 0.000 0.779 198 L CB -0.231 41.790 42.059 -0.062 0.000 0.922 198 L HN 0.428 nan 8.230 nan 0.000 0.443 199 G N -1.132 107.615 108.800 -0.090 0.000 2.662 199 G HA2 0.297 4.257 3.960 -0.000 0.000 0.212 199 G HA3 0.297 4.257 3.960 -0.000 0.000 0.212 199 G C 1.092 175.955 174.900 -0.061 0.000 1.141 199 G CA 0.539 45.584 45.100 -0.090 0.000 0.797 199 G HN 0.474 nan 8.290 nan 0.000 0.531 200 G N 1.090 109.858 108.800 -0.053 0.000 2.614 200 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.303 200 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.303 200 G C 0.847 175.724 174.900 -0.038 0.000 1.270 200 G CA 0.635 45.713 45.100 -0.037 0.000 0.988 200 G HN 0.199 nan 8.290 nan 0.000 0.551 201 D N 0.734 121.116 120.400 -0.031 0.000 2.182 201 D HA 0.039 4.679 4.640 -0.000 0.000 0.201 201 D C 2.732 179.006 176.300 -0.045 0.000 0.986 201 D CA 1.942 55.922 54.000 -0.032 0.000 0.847 201 D CB -0.703 40.083 40.800 -0.024 0.000 0.942 201 D HN 0.794 nan 8.370 nan 0.000 0.467 202 A N 0.646 123.441 122.820 -0.041 0.000 2.067 202 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 202 A C 1.116 178.671 177.584 -0.048 0.000 1.158 202 A CA 0.388 52.399 52.037 -0.043 0.000 0.661 202 A CB -0.217 18.765 19.000 -0.030 0.000 0.801 202 A HN 0.112 nan 8.150 nan 0.000 0.452 203 I N 1.098 121.639 120.570 -0.049 0.000 2.293 203 I HA 0.096 4.266 4.170 -0.000 0.000 0.299 203 I C 1.036 177.072 176.117 -0.134 0.000 1.153 203 I CA 0.234 61.512 61.300 -0.038 0.000 1.302 203 I CB -0.403 37.556 38.000 -0.067 0.000 1.460 203 I HN 0.454 nan 8.210 nan 0.000 0.552 204 E N 4.362 124.380 120.200 -0.303 0.000 2.076 204 E HA 0.004 4.354 4.350 -0.000 0.000 0.190 204 E C 1.081 177.355 176.600 -0.543 0.000 0.979 204 E CA 0.442 56.571 56.400 -0.452 0.000 0.807 204 E CB 0.409 29.685 29.700 -0.705 0.000 0.761 204 E HN 0.749 nan 8.360 nan 0.000 0.454 205 G N 2.206 110.508 108.800 -0.830 0.000 3.764 205 G HA2 0.245 4.205 3.960 -0.000 0.000 0.333 205 G HA3 0.245 4.205 3.960 -0.000 0.000 0.333 205 G C -2.836 171.928 174.900 -0.228 0.000 1.551 205 G CA -1.055 43.651 45.100 -0.658 0.000 0.995 205 G HN -0.023 nan 8.290 nan 0.000 0.485 206 P HA 0.199 nan 4.420 nan 0.000 0.273 206 P C -0.816 176.761 177.300 0.463 0.000 1.428 206 P CA -0.408 62.824 63.100 0.221 0.000 0.995 206 P CB 0.492 32.257 31.700 0.109 0.000 1.286 207 W N 2.902 124.244 121.300 0.070 0.000 2.647 207 W HA 0.329 4.989 4.660 -0.000 0.000 0.353 207 W C 0.535 177.063 176.519 0.015 0.000 1.080 207 W CA -0.545 56.818 57.345 0.029 0.000 1.208 207 W CB 0.893 30.368 29.460 0.025 0.000 1.396 207 W HN 0.275 nan 8.180 nan 0.000 0.573 208 D N -0.873 119.642 120.400 0.191 0.000 2.616 208 D HA 0.793 5.433 4.640 -0.000 0.000 0.260 208 D C 0.235 176.582 176.300 0.079 0.000 1.158 208 D CA -0.527 53.532 54.000 0.097 0.000 1.085 208 D CB 1.350 42.163 40.800 0.022 0.000 1.222 208 D HN 0.430 nan 8.370 nan 0.000 0.626 209 G N -1.782 107.035 108.800 0.028 0.000 3.198 209 G HA2 0.302 4.261 3.960 -0.000 0.000 0.166 209 G HA3 0.302 4.261 3.960 -0.000 0.000 0.166 209 G C -0.685 174.180 174.900 -0.058 0.000 1.134 209 G CA -0.459 44.632 45.100 -0.015 0.000 0.941 209 G HN 0.469 nan 8.290 nan 0.000 0.639 210 E N 0.366 120.512 120.200 -0.090 0.000 2.403 210 E HA -0.225 4.125 4.350 -0.000 0.000 0.241 210 E C 0.252 176.789 176.600 -0.104 0.000 1.201 210 E CA 1.288 57.633 56.400 -0.091 0.000 0.721 210 E CB -0.907 28.780 29.700 -0.021 0.000 1.245 210 E HN 0.673 nan 8.360 nan 0.000 0.392 211 E N -3.530 116.552 120.200 -0.196 0.000 3.170 211 E HA -0.294 4.055 4.350 -0.000 0.000 0.284 211 E C 0.477 177.048 176.600 -0.049 0.000 0.967 211 E CA 1.981 58.280 56.400 -0.169 0.000 0.919 211 E CB -1.782 27.845 29.700 -0.122 0.000 1.469 211 E HN 0.974 nan 8.360 nan 0.000 0.444 212 A N -1.617 121.188 122.820 -0.026 0.000 3.141 212 A HA -0.284 4.036 4.320 -0.000 0.000 0.242 212 A C 1.363 179.026 177.584 0.132 0.000 1.313 212 A CA 0.964 53.026 52.037 0.042 0.000 1.060 212 A CB -2.196 16.831 19.000 0.044 0.000 1.153 212 A HN 0.470 nan 8.150 nan 0.000 0.847 213 I N 0.920 121.549 120.570 0.098 0.000 2.286 213 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 213 I C 2.111 178.340 176.117 0.188 0.000 1.115 213 I CA 2.989 64.365 61.300 0.127 0.000 1.392 213 I CB -0.082 37.965 38.000 0.078 0.000 1.065 213 I HN 0.860 nan 8.210 nan 0.000 0.418 214 T N -2.227 112.399 114.554 0.119 0.000 3.214 214 T HA 0.136 4.486 4.350 -0.000 0.000 0.264 214 T C 1.453 176.147 174.700 -0.010 0.000 1.012 214 T CA -0.117 62.032 62.100 0.081 0.000 0.901 214 T CB -0.395 68.488 68.868 0.025 0.000 1.070 214 T HN 0.182 nan 8.240 nan 0.000 0.561 215 L N 1.004 122.249 121.223 0.037 0.000 2.013 215 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 215 L C 2.049 178.702 176.870 -0.362 0.000 1.073 215 L CA 1.669 56.438 54.840 -0.119 0.000 0.753 215 L CB -0.927 41.130 42.059 -0.002 0.000 0.890 215 L HN 0.399 nan 8.230 nan 0.000 0.432 216 L N -0.385 120.418 121.223 -0.699 0.000 2.093 216 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 216 L C 2.502 179.146 176.870 -0.377 0.000 1.085 216 L CA 1.971 56.388 54.840 -0.705 0.000 0.755 216 L CB -1.057 40.360 42.059 -1.070 0.000 0.904 216 L HN 0.311 nan 8.230 nan 0.000 0.435 217 A N -0.872 121.770 122.820 -0.297 0.000 1.933 217 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 217 A C 1.956 179.433 177.584 -0.179 0.000 1.175 217 A CA 1.874 53.785 52.037 -0.209 0.000 0.628 217 A CB -0.735 18.182 19.000 -0.137 0.000 0.814 217 A HN 0.510 nan 8.150 nan 0.000 0.444 218 D N 0.020 120.301 120.400 -0.199 0.000 2.144 218 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 218 D C 1.914 178.050 176.300 -0.273 0.000 0.978 218 D CA 0.848 54.744 54.000 -0.174 0.000 0.833 218 D CB -0.308 40.414 40.800 -0.130 0.000 0.961 218 D HN 0.466 nan 8.370 nan 0.000 0.470 219 L N 0.277 121.201 121.223 -0.498 0.000 2.056 219 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 219 L C 2.433 178.762 176.870 -0.901 0.000 1.078 219 L CA 1.013 55.312 54.840 -0.902 0.000 0.749 219 L CB -0.493 40.621 42.059 -1.575 0.000 0.901 219 L HN 0.197 nan 8.230 nan 0.000 0.433 220 H N -0.322 118.245 119.070 -0.838 0.000 2.422 220 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 220 H C 2.119 177.384 175.328 -0.104 0.000 1.098 220 H CA 1.291 57.155 56.048 -0.306 0.000 1.315 220 H CB 0.198 29.852 29.762 -0.180 0.000 1.382 220 H HN 0.388 nan 8.280 nan 0.000 0.523 221 A N -0.043 122.756 122.820 -0.035 0.000 2.167 221 A HA 0.218 4.538 4.320 -0.000 0.000 0.214 221 A C 1.980 179.561 177.584 -0.005 0.000 1.151 221 A CA 1.079 53.110 52.037 -0.010 0.000 0.735 221 A CB 0.002 18.981 19.000 -0.036 0.000 0.802 221 A HN 0.528 nan 8.150 nan 0.000 0.467 222 G N -2.350 106.436 108.800 -0.023 0.000 2.154 222 G HA2 0.194 4.154 3.960 -0.000 0.000 0.186 222 G HA3 0.194 4.154 3.960 -0.000 0.000 0.186 222 G C 0.353 175.256 174.900 0.005 0.000 1.000 222 G CA 0.042 45.155 45.100 0.021 0.000 0.664 222 G HN 1.464 nan 8.290 nan 0.000 0.513 223 A N 0.485 123.272 122.820 -0.056 0.000 2.498 223 A HA 0.610 4.930 4.320 -0.000 0.000 0.239 223 A C 1.471 179.045 177.584 -0.016 0.000 1.068 223 A CA 1.696 53.724 52.037 -0.015 0.000 0.766 223 A CB 0.263 19.220 19.000 -0.071 0.000 1.003 223 A HN 1.560 nan 8.150 nan 0.000 0.497 224 T N -0.628 113.964 114.554 0.064 0.000 3.040 224 T HA 0.532 4.882 4.350 -0.000 0.000 0.266 224 T C 0.508 175.074 174.700 -0.222 0.000 1.005 224 T CA 0.389 62.507 62.100 0.029 0.000 0.906 224 T CB 0.028 68.998 68.868 0.169 0.000 1.082 224 T HN 1.587 nan 8.240 nan 0.000 0.531 225 G N -0.010 108.462 108.800 -0.547 0.000 2.677 225 G HA2 0.685 4.645 3.960 -0.000 0.000 0.291 225 G HA3 0.685 4.645 3.960 -0.000 0.000 0.291 225 G C -1.946 172.521 174.900 -0.723 0.000 1.435 225 G CA -0.483 43.869 45.100 -1.248 0.000 0.826 225 G HN 0.609 nan 8.290 nan 0.000 0.491 226 A N 0.602 123.081 122.820 -0.568 0.000 2.408 226 A HA 0.733 5.053 4.320 -0.000 0.000 0.295 226 A C -0.748 176.759 177.584 -0.128 0.000 1.040 226 A CA -0.506 51.397 52.037 -0.224 0.000 0.707 226 A CB 1.709 20.604 19.000 -0.175 0.000 1.235 226 A HN 0.891 nan 8.150 nan 0.000 0.418 227 M N 3.803 123.403 119.600 -0.001 0.000 2.080 227 M HA 0.378 4.858 4.480 -0.000 0.000 0.350 227 M C 0.343 176.604 176.300 -0.065 0.000 1.143 227 M CA 0.024 55.346 55.300 0.035 0.000 1.064 227 M CB 0.527 33.202 32.600 0.125 0.000 1.429 227 M HN 0.906 nan 8.290 nan 0.000 0.418 228 T N 1.365 115.852 114.554 -0.112 0.000 2.922 228 T HA 0.815 5.165 4.350 -0.000 0.000 0.281 228 T C 0.621 175.190 174.700 -0.218 0.000 1.005 228 T CA -0.716 61.267 62.100 -0.194 0.000 0.982 228 T CB 1.218 69.953 68.868 -0.223 0.000 1.158 228 T HN 0.636 nan 8.240 nan 0.000 0.566 229 G N -1.143 107.499 108.800 -0.262 0.000 2.667 229 G HA2 0.438 4.398 3.960 -0.000 0.000 0.250 229 G HA3 0.438 4.398 3.960 -0.000 0.000 0.250 229 G C 0.915 175.722 174.900 -0.155 0.000 1.212 229 G CA -0.441 44.592 45.100 -0.112 0.000 0.874 229 G HN 1.101 nan 8.290 nan 0.000 0.561 230 G N -0.993 107.796 108.800 -0.018 0.000 3.042 230 G HA2 0.271 4.231 3.960 -0.000 0.000 0.212 230 G HA3 0.271 4.231 3.960 -0.000 0.000 0.212 230 G C 1.354 176.292 174.900 0.064 0.000 1.166 230 G CA 0.983 46.075 45.100 -0.013 0.000 0.767 230 G HN 0.876 nan 8.290 nan 0.000 0.546 231 G N 0.928 109.740 108.800 0.019 0.000 2.421 231 G HA2 0.146 4.106 3.960 -0.000 0.000 0.217 231 G HA3 0.146 4.106 3.960 -0.000 0.000 0.217 231 G C 0.666 175.801 174.900 0.392 0.000 1.143 231 G CA 0.795 46.027 45.100 0.220 0.000 0.784 231 G HN 0.640 nan 8.290 nan 0.000 0.541 232 F N -2.025 118.027 119.950 0.171 0.000 2.520 232 F HA 0.441 4.968 4.527 -0.000 0.000 0.371 232 F C -2.194 173.556 175.800 -0.083 0.000 1.540 232 F CA -2.651 55.416 58.000 0.111 0.000 1.091 232 F CB 0.593 39.710 39.000 0.195 0.000 1.488 232 F HN -0.166 nan 8.300 nan 0.000 0.538 233 P HA -0.167 nan 4.420 nan 0.000 0.222 233 P C 1.162 178.326 177.300 -0.226 0.000 1.147 233 P CA 1.639 64.589 63.100 -0.249 0.000 0.790 233 P CB 0.198 31.746 31.700 -0.254 0.000 0.780 234 D N -0.102 120.196 120.400 -0.170 0.000 2.178 234 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 234 D C 2.123 178.225 176.300 -0.330 0.000 0.980 234 D CA 1.583 55.482 54.000 -0.167 0.000 0.842 234 D CB -1.406 39.371 40.800 -0.038 0.000 0.948 234 D HN 0.186 nan 8.370 nan 0.000 0.472 235 G N 0.568 108.981 108.800 -0.645 0.000 2.430 235 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 235 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 235 G C 1.851 176.068 174.900 -1.138 0.000 1.146 235 G CA 0.275 44.324 45.100 -1.753 0.000 0.793 235 G HN 0.328 nan 8.290 nan 0.000 0.537 236 I N -0.626 119.627 120.570 -0.528 0.000 2.731 236 I HA 0.104 4.274 4.170 -0.000 0.000 0.260 236 I C 2.635 178.636 176.117 -0.194 0.000 1.138 236 I CA 0.078 61.210 61.300 -0.280 0.000 1.461 236 I CB -0.117 37.785 38.000 -0.164 0.000 1.128 236 I HN 0.027 nan 8.210 nan 0.000 0.438 237 R N 1.517 121.898 120.500 -0.199 0.000 2.119 237 R HA -0.188 4.152 4.340 -0.000 0.000 0.246 237 R C -0.603 175.647 176.300 -0.083 0.000 1.146 237 R CA 1.990 58.010 56.100 -0.134 0.000 0.962 237 R CB -1.087 29.131 30.300 -0.137 0.000 0.863 237 R HN 0.221 nan 8.270 nan 0.000 0.442 238 P HA -0.116 nan 4.420 nan 0.000 0.220 238 P C 0.896 178.214 177.300 0.030 0.000 1.148 238 P CA 1.191 64.279 63.100 -0.020 0.000 0.803 238 P CB -0.010 31.681 31.700 -0.015 0.000 0.782 239 I N -1.426 119.158 120.570 0.022 0.000 2.179 239 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 239 I C 1.896 178.074 176.117 0.102 0.000 1.088 239 I CA 1.210 62.562 61.300 0.086 0.000 1.357 239 I CB -0.705 37.345 38.000 0.082 0.000 1.051 239 I HN -0.085 nan 8.210 nan 0.000 0.409 240 L N 0.225 121.472 121.223 0.039 0.000 2.093 240 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 240 L C 2.588 179.524 176.870 0.109 0.000 1.085 240 L CA 1.726 56.599 54.840 0.055 0.000 0.755 240 L CB -1.444 40.599 42.059 -0.027 0.000 0.904 240 L HN 0.285 nan 8.230 nan 0.000 0.435 241 E N -0.181 120.058 120.200 0.066 0.000 2.107 241 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 241 E C 2.304 178.955 176.600 0.085 0.000 0.982 241 E CA 1.186 57.623 56.400 0.062 0.000 0.809 241 E CB -0.159 29.559 29.700 0.030 0.000 0.756 241 E HN 0.384 nan 8.360 nan 0.000 0.459 242 A N 1.638 124.524 122.820 0.110 0.000 1.902 242 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 242 A C 2.041 179.704 177.584 0.132 0.000 1.181 242 A CA 1.173 53.278 52.037 0.114 0.000 0.623 242 A CB -1.057 18.031 19.000 0.146 0.000 0.818 242 A HN 0.469 nan 8.150 nan 0.000 0.443 243 W N 0.648 121.970 121.300 0.037 0.000 2.355 243 W HA -0.148 4.512 4.660 -0.000 0.000 0.309 243 W C 2.365 178.917 176.519 0.055 0.000 1.206 243 W CA 1.835 59.205 57.345 0.041 0.000 1.284 243 W CB -0.283 29.144 29.460 -0.055 0.000 1.145 243 W HN 0.374 nan 8.180 nan 0.000 0.502 244 R N 0.792 121.392 120.500 0.166 0.000 2.120 244 R HA -0.177 4.162 4.340 -0.000 0.000 0.234 244 R C 1.703 177.990 176.300 -0.021 0.000 1.123 244 R CA 1.864 58.014 56.100 0.082 0.000 0.975 244 R CB -0.329 30.030 30.300 0.099 0.000 0.866 244 R HN 0.217 nan 8.270 nan 0.000 0.446 245 E N -1.222 118.960 120.200 -0.030 0.000 2.502 245 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 245 E C 0.696 177.215 176.600 -0.135 0.000 1.062 245 E CA 0.421 56.784 56.400 -0.061 0.000 0.867 245 E CB 0.494 30.177 29.700 -0.028 0.000 0.888 245 E HN 0.587 nan 8.360 nan 0.000 0.510 246 G N 2.044 110.706 108.800 -0.231 0.000 2.143 246 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.249 246 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.249 246 G C 0.211 174.831 174.900 -0.467 0.000 0.981 246 G CA -0.206 44.654 45.100 -0.400 0.000 0.665 246 G HN 0.211 nan 8.290 nan 0.000 0.528 247 R N 0.245 120.600 120.500 -0.242 0.000 2.937 247 R HA 0.367 4.707 4.340 -0.000 0.000 0.264 247 R C 0.973 177.286 176.300 0.021 0.000 1.334 247 R CA -0.704 55.321 56.100 -0.126 0.000 1.516 247 R CB 0.133 30.414 30.300 -0.032 0.000 1.187 247 R HN 0.323 nan 8.270 nan 0.000 0.609 248 H N 0.619 119.568 119.070 -0.201 0.000 2.423 248 H HA -0.085 4.470 4.556 -0.000 0.000 0.297 248 H C 1.030 176.453 175.328 0.158 0.000 1.075 248 H CA 1.093 57.084 56.048 -0.095 0.000 1.342 248 H CB 0.329 29.962 29.762 -0.214 0.000 1.395 248 H HN 0.397 nan 8.280 nan 0.000 0.530 249 D N 0.177 120.710 120.400 0.223 0.000 2.144 249 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 249 D C 1.922 178.377 176.300 0.258 0.000 0.978 249 D CA 1.152 55.287 54.000 0.225 0.000 0.833 249 D CB -0.311 40.563 40.800 0.124 0.000 0.961 249 D HN 0.415 nan 8.370 nan 0.000 0.470 250 D N 0.339 120.852 120.400 0.188 0.000 2.144 250 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 250 D C 1.975 178.411 176.300 0.226 0.000 0.978 250 D CA 1.364 55.471 54.000 0.179 0.000 0.833 250 D CB 0.034 40.905 40.800 0.118 0.000 0.961 250 D HN 0.063 nan 8.370 nan 0.000 0.470 251 A N -0.475 122.504 122.820 0.265 0.000 1.908 251 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 251 A C 2.215 179.984 177.584 0.308 0.000 1.181 251 A CA 1.633 53.850 52.037 0.300 0.000 0.627 251 A CB -1.418 17.844 19.000 0.437 0.000 0.818 251 A HN 0.542 nan 8.150 nan 0.000 0.445 252 Y N 0.597 121.053 120.300 0.259 0.000 2.128 252 Y HA -0.188 4.362 4.550 -0.000 0.000 0.284 252 Y C 2.666 178.727 175.900 0.269 0.000 1.154 252 Y CA 1.748 60.007 58.100 0.266 0.000 1.149 252 Y CB -0.466 38.130 38.460 0.228 0.000 0.976 252 Y HN 0.320 nan 8.280 nan 0.000 0.505 253 A N 0.512 123.506 122.820 0.291 0.000 1.902 253 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 253 A C 2.258 179.914 177.584 0.120 0.000 1.181 253 A CA 1.879 54.022 52.037 0.177 0.000 0.623 253 A CB -0.611 18.515 19.000 0.210 0.000 0.818 253 A HN 0.569 nan 8.150 nan 0.000 0.443 254 R N -2.315 118.295 120.500 0.183 0.000 2.075 254 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 254 R C 2.176 178.649 176.300 0.288 0.000 1.126 254 R CA 1.555 57.801 56.100 0.244 0.000 0.963 254 R CB -0.519 29.907 30.300 0.209 0.000 0.858 254 R HN 0.672 nan 8.270 nan 0.000 0.435 255 Y N 1.983 122.314 120.300 0.051 0.000 2.181 255 Y HA -0.255 4.295 4.550 -0.000 0.000 0.288 255 Y C 2.599 178.472 175.900 -0.045 0.000 1.146 255 Y CA 1.630 59.738 58.100 0.012 0.000 1.164 255 Y CB -0.209 38.214 38.460 -0.061 0.000 0.982 255 Y HN 0.026 nan 8.280 nan 0.000 0.515 256 Q N 0.405 120.092 119.800 -0.188 0.000 2.084 256 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 256 Q C 2.332 178.242 176.000 -0.151 0.000 0.978 256 Q CA 1.677 57.306 55.803 -0.290 0.000 0.844 256 Q CB -0.423 28.092 28.738 -0.370 0.000 0.898 256 Q HN 0.592 nan 8.270 nan 0.000 0.426 257 A N -0.232 122.557 122.820 -0.052 0.000 1.908 257 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 257 A C 1.517 178.965 177.584 -0.227 0.000 1.181 257 A CA 1.531 53.498 52.037 -0.116 0.000 0.627 257 A CB -1.037 17.923 19.000 -0.067 0.000 0.818 257 A HN 0.589 nan 8.150 nan 0.000 0.445 258 W N -1.559 119.668 121.300 -0.122 0.000 3.114 258 W HA 0.278 4.938 4.660 -0.000 0.000 0.279 258 W C 1.627 178.044 176.519 -0.170 0.000 1.277 258 W CA 0.021 57.293 57.345 -0.121 0.000 1.630 258 W CB -0.124 29.323 29.460 -0.021 0.000 1.087 258 W HN 0.299 nan 8.180 nan 0.000 0.637 259 L N 2.014 123.174 121.223 -0.105 0.000 2.081 259 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 259 L C -0.722 176.083 176.870 -0.109 0.000 1.080 259 L CA 2.214 56.913 54.840 -0.236 0.000 0.754 259 L CB -1.618 40.142 42.059 -0.498 0.000 0.893 259 L HN -0.205 nan 8.230 nan 0.000 0.433 260 P HA -0.148 nan 4.420 nan 0.000 0.218 260 P C 1.864 179.143 177.300 -0.034 0.000 1.149 260 P CA 0.947 64.004 63.100 -0.073 0.000 0.817 260 P CB -0.006 31.628 31.700 -0.110 0.000 0.785 261 L N -0.882 120.290 121.223 -0.086 0.000 2.072 261 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 261 L C 2.140 179.077 176.870 0.112 0.000 1.079 261 L CA 1.612 56.384 54.840 -0.113 0.000 0.752 261 L CB -1.049 40.770 42.059 -0.400 0.000 0.906 261 L HN -0.136 nan 8.230 nan 0.000 0.436 262 I N -0.442 120.254 120.570 0.210 0.000 2.179 262 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 262 I C 2.410 178.650 176.117 0.205 0.000 1.088 262 I CA 1.663 63.163 61.300 0.332 0.000 1.357 262 I CB -0.574 37.565 38.000 0.230 0.000 1.051 262 I HN 0.461 nan 8.210 nan 0.000 0.409 263 N N 0.332 119.102 118.700 0.117 0.000 2.104 263 N HA -0.287 4.453 4.740 -0.000 0.000 0.190 263 N C 2.064 177.648 175.510 0.123 0.000 1.024 263 N CA 1.700 54.805 53.050 0.091 0.000 0.853 263 N CB -0.087 38.426 38.487 0.043 0.000 1.008 263 N HN 0.382 nan 8.380 nan 0.000 0.424 264 H N 0.832 119.934 119.070 0.054 0.000 2.353 264 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 264 H C 2.133 177.528 175.328 0.111 0.000 1.090 264 H CA 2.026 58.109 56.048 0.059 0.000 1.327 264 H CB -0.064 29.716 29.762 0.030 0.000 1.383 264 H HN 0.353 nan 8.280 nan 0.000 0.508 265 E N -0.131 120.237 120.200 0.279 0.000 2.038 265 E HA -0.251 4.098 4.350 -0.000 0.000 0.195 265 E C 2.255 178.978 176.600 0.204 0.000 1.000 265 E CA 1.295 57.864 56.400 0.282 0.000 0.803 265 E CB -0.210 29.727 29.700 0.397 0.000 0.750 265 E HN 0.546 nan 8.360 nan 0.000 0.448 266 N N -0.030 118.771 118.700 0.169 0.000 2.120 266 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 266 N C 1.706 177.267 175.510 0.086 0.000 1.024 266 N CA 1.083 54.212 53.050 0.133 0.000 0.852 266 N CB 0.090 38.634 38.487 0.094 0.000 1.003 266 N HN 0.165 nan 8.380 nan 0.000 0.424 267 R N -0.884 119.633 120.500 0.028 0.000 2.254 267 R HA 0.160 4.500 4.340 -0.000 0.000 0.193 267 R C 1.361 177.608 176.300 -0.088 0.000 0.929 267 R CA 0.269 56.357 56.100 -0.020 0.000 1.038 267 R CB 0.331 30.619 30.300 -0.021 0.000 1.009 267 R HN 0.295 nan 8.270 nan 0.000 0.512 268 Q N -0.253 119.434 119.800 -0.189 0.000 2.644 268 Q HA 0.115 4.455 4.340 -0.000 0.000 0.220 268 Q C 1.926 177.824 176.000 -0.170 0.000 0.866 268 Q CA 1.286 56.913 55.803 -0.293 0.000 0.915 268 Q CB 0.215 28.482 28.738 -0.785 0.000 1.191 268 Q HN 0.198 nan 8.270 nan 0.000 0.641 269 S N -0.124 115.501 115.700 -0.126 0.000 2.486 269 S HA 0.318 4.788 4.470 -0.000 0.000 0.220 269 S C 1.296 175.934 174.600 0.063 0.000 1.011 269 S CA 0.569 58.787 58.200 0.030 0.000 0.921 269 S CB 0.207 63.493 63.200 0.143 0.000 0.785 269 S HN 0.540 nan 8.310 nan 0.000 0.517 270 G N 2.575 111.436 108.800 0.100 0.000 2.582 270 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.288 270 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.288 270 G C 0.617 175.492 174.900 -0.041 0.000 1.247 270 G CA 0.226 45.399 45.100 0.121 0.000 0.972 270 G HN 0.452 nan 8.290 nan 0.000 0.557 271 I N 0.639 120.937 120.570 -0.453 0.000 2.185 271 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 271 I C 2.698 178.592 176.117 -0.372 0.000 1.088 271 I CA 1.787 62.505 61.300 -0.970 0.000 1.347 271 I CB -0.339 37.253 38.000 -0.679 0.000 1.041 271 I HN 0.371 nan 8.210 nan 0.000 0.415 272 L N -0.091 121.047 121.223 -0.141 0.000 2.551 272 L HA -0.127 4.213 4.340 -0.000 0.000 0.228 272 L C 2.377 179.270 176.870 0.037 0.000 1.153 272 L CA 0.588 55.410 54.840 -0.030 0.000 0.851 272 L CB -0.947 41.117 42.059 0.009 0.000 0.959 272 L HN 0.290 nan 8.230 nan 0.000 0.451 273 T N 0.533 115.137 114.554 0.084 0.000 2.607 273 T HA -0.299 4.051 4.350 -0.000 0.000 0.267 273 T C 2.106 176.906 174.700 0.165 0.000 1.049 273 T CA 1.799 64.003 62.100 0.173 0.000 1.162 273 T CB -0.264 68.773 68.868 0.281 0.000 0.863 273 T HN 0.513 nan 8.240 nan 0.000 0.424 274 A N 1.517 124.432 122.820 0.159 0.000 1.908 274 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 274 A C 2.260 179.878 177.584 0.056 0.000 1.181 274 A CA 1.906 54.020 52.037 0.127 0.000 0.627 274 A CB -0.483 18.586 19.000 0.114 0.000 0.818 274 A HN 0.530 nan 8.150 nan 0.000 0.445 275 K N -0.347 120.072 120.400 0.031 0.000 2.062 275 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 275 K C 2.325 178.932 176.600 0.011 0.000 1.051 275 K CA 0.956 57.244 56.287 0.002 0.000 0.941 275 K CB -0.328 32.169 32.500 -0.005 0.000 0.719 275 K HN 0.417 nan 8.250 nan 0.000 0.440 276 A N 1.604 124.446 122.820 0.037 0.000 1.883 276 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 276 A C 2.147 179.746 177.584 0.025 0.000 1.186 276 A CA 1.452 53.512 52.037 0.039 0.000 0.624 276 A CB -0.784 18.253 19.000 0.062 0.000 0.822 276 A HN 0.158 nan 8.150 nan 0.000 0.444 277 L N -1.370 119.875 121.223 0.037 0.000 2.017 277 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 277 L C 2.902 179.730 176.870 -0.069 0.000 1.073 277 L CA 1.679 56.526 54.840 0.012 0.000 0.745 277 L CB -0.545 41.559 42.059 0.074 0.000 0.894 277 L HN 0.401 nan 8.230 nan 0.000 0.432 278 M N -0.705 118.828 119.600 -0.112 0.000 2.213 278 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 278 M C 2.428 178.668 176.300 -0.100 0.000 1.062 278 M CA 1.496 56.680 55.300 -0.192 0.000 1.105 278 M CB -0.323 32.165 32.600 -0.187 0.000 1.385 278 M HN 0.133 nan 8.290 nan 0.000 0.417 279 R N 0.803 121.275 120.500 -0.046 0.000 2.073 279 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 279 R C 1.807 178.103 176.300 -0.007 0.000 1.120 279 R CA 1.739 57.830 56.100 -0.015 0.000 0.967 279 R CB -0.460 29.841 30.300 0.001 0.000 0.862 279 R HN 0.232 nan 8.270 nan 0.000 0.436 280 E N -0.422 119.772 120.200 -0.009 0.000 2.085 280 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 280 E C 1.564 178.164 176.600 -0.000 0.000 0.994 280 E CA 1.859 58.258 56.400 -0.001 0.000 0.801 280 E CB -0.791 28.909 29.700 -0.000 0.000 0.743 280 E HN 0.486 nan 8.360 nan 0.000 0.453 281 G N -1.350 107.439 108.800 -0.018 0.000 2.848 281 G HA2 0.110 4.070 3.960 -0.000 0.000 0.208 281 G HA3 0.110 4.070 3.960 -0.000 0.000 0.208 281 G C 1.083 176.012 174.900 0.049 0.000 1.152 281 G CA 0.378 45.480 45.100 0.003 0.000 0.789 281 G HN 0.621 nan 8.290 nan 0.000 0.531 282 G N -0.908 107.915 108.800 0.038 0.000 2.155 282 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 282 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 282 G C 1.164 176.136 174.900 0.120 0.000 0.983 282 G CA 0.584 45.727 45.100 0.072 0.000 0.676 282 G HN 0.502 nan 8.290 nan 0.000 0.528 283 V N 0.580 120.538 119.914 0.074 0.000 2.427 283 V HA 0.144 4.264 4.120 -0.000 0.000 0.248 283 V C 1.653 177.775 176.094 0.047 0.000 1.051 283 V CA 2.123 64.469 62.300 0.077 0.000 1.048 283 V CB -0.435 31.247 31.823 -0.235 0.000 0.666 283 V HN 0.830 nan 8.190 nan 0.000 0.456 284 I N -3.761 116.809 120.570 0.000 0.000 2.892 284 I HA 0.788 4.958 4.170 -0.000 0.000 0.306 284 I C 0.808 176.932 176.117 0.012 0.000 1.078 284 I CA -0.593 60.706 61.300 -0.001 0.000 1.032 284 I CB 2.051 40.030 38.000 -0.036 0.000 1.229 284 I HN -0.113 nan 8.210 nan 0.000 0.435 285 A N 2.686 125.516 122.820 0.016 0.000 2.021 285 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 285 A C 1.158 178.757 177.584 0.025 0.000 1.163 285 A CA 0.974 53.025 52.037 0.023 0.000 0.676 285 A CB -0.197 18.818 19.000 0.025 0.000 0.818 285 A HN 0.751 nan 8.150 nan 0.000 0.453 286 S N -0.616 115.099 115.700 0.026 0.000 2.547 286 S HA 0.372 4.842 4.470 -0.000 0.000 0.281 286 S C -0.021 174.602 174.600 0.038 0.000 1.118 286 S CA -0.065 58.159 58.200 0.039 0.000 0.947 286 S CB 1.296 64.533 63.200 0.062 0.000 1.053 286 S HN 0.448 nan 8.310 nan 0.000 0.482 287 E N 3.239 123.462 120.200 0.040 0.000 2.465 287 E HA 0.224 4.574 4.350 -0.000 0.000 0.195 287 E C 0.056 176.696 176.600 0.067 0.000 1.028 287 E CA -0.520 55.904 56.400 0.039 0.000 0.899 287 E CB 0.244 29.961 29.700 0.029 0.000 1.032 287 E HN 0.427 nan 8.360 nan 0.000 0.468 288 R N 2.330 122.886 120.500 0.093 0.000 2.582 288 R HA 0.247 4.587 4.340 -0.000 0.000 0.271 288 R C -2.073 174.338 176.300 0.185 0.000 1.078 288 R CA -1.540 54.623 56.100 0.104 0.000 1.127 288 R CB 0.247 30.596 30.300 0.082 0.000 1.038 288 R HN 0.170 nan 8.270 nan 0.000 0.500 289 P HA 0.171 nan 4.420 nan 0.000 0.293 289 P C -0.855 176.416 177.300 -0.048 0.000 1.304 289 P CA -0.510 62.674 63.100 0.140 0.000 0.767 289 P CB 0.793 32.533 31.700 0.067 0.000 1.247 290 R N -0.856 119.489 120.500 -0.259 0.000 2.404 290 R HA 0.259 4.599 4.340 -0.000 0.000 0.291 290 R C 0.474 176.707 176.300 -0.111 0.000 1.025 290 R CA -0.584 55.305 56.100 -0.351 0.000 0.991 290 R CB -0.034 29.938 30.300 -0.547 0.000 1.053 290 R HN 0.603 nan 8.270 nan 0.000 0.479 291 H N 3.667 122.662 119.070 -0.124 0.000 3.064 291 H HA -0.000 4.556 4.556 0.000 0.000 0.329 291 H C -1.328 173.975 175.328 -0.040 0.000 1.020 291 H CA -0.596 55.415 56.048 -0.062 0.000 1.402 291 H CB 0.925 30.653 29.762 -0.058 0.000 1.379 291 H HN 0.379 nan 8.280 nan 0.000 0.594 292 P HA 0.059 nan 4.420 nan 0.000 0.266 292 P C -0.045 177.034 177.300 -0.368 0.000 1.381 292 P CA -0.081 62.541 63.100 -0.796 0.000 0.940 292 P CB 0.074 31.496 31.700 -0.464 0.000 1.435 293 M N 3.157 122.664 119.600 -0.154 0.000 2.269 293 M HA 0.180 4.660 4.480 -0.000 0.000 0.350 293 M C -2.133 174.126 176.300 -0.068 0.000 1.429 293 M CA -1.540 53.733 55.300 -0.046 0.000 1.063 293 M CB 0.486 33.119 32.600 0.055 0.000 1.841 293 M HN -0.168 nan 8.290 nan 0.000 0.455 294 P HA 0.084 nan 4.420 nan 0.000 0.275 294 P C -1.167 176.124 177.300 -0.015 0.000 1.228 294 P CA 0.042 63.118 63.100 -0.039 0.000 0.786 294 P CB 0.404 32.095 31.700 -0.014 0.000 0.927 295 E N 1.126 121.308 120.200 -0.030 0.000 2.422 295 E HA 0.090 4.440 4.350 -0.000 0.000 0.260 295 E C 0.205 176.796 176.600 -0.014 0.000 1.108 295 E CA -0.429 55.960 56.400 -0.018 0.000 0.943 295 E CB 0.253 29.935 29.700 -0.029 0.000 0.961 295 E HN 0.401 nan 8.360 nan 0.000 0.443 296 L N 2.543 123.784 121.223 0.030 0.000 2.485 296 L HA 0.002 4.342 4.340 -0.000 0.000 0.275 296 L C 0.395 177.306 176.870 0.068 0.000 1.207 296 L CA 0.051 54.943 54.840 0.086 0.000 0.855 296 L CB -0.097 42.015 42.059 0.090 0.000 1.114 296 L HN 0.467 nan 8.230 nan 0.000 0.485 297 H N 3.594 122.681 119.070 0.028 0.000 2.790 297 H HA 0.050 4.606 4.556 0.000 0.000 0.358 297 H C -1.489 173.860 175.328 0.035 0.000 1.103 297 H CA -1.273 54.791 56.048 0.027 0.000 1.426 297 H CB 0.285 30.061 29.762 0.023 0.000 1.424 297 H HN 0.351 nan 8.280 nan 0.000 0.599 298 P HA -0.202 nan 4.420 nan 0.000 0.215 298 P C 1.165 178.519 177.300 0.090 0.000 1.157 298 P CA 1.427 64.577 63.100 0.082 0.000 0.874 298 P CB 0.347 32.080 31.700 0.056 0.000 0.790 299 D N -1.595 118.865 120.400 0.100 0.000 2.144 299 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 299 D C 1.769 178.134 176.300 0.108 0.000 0.978 299 D CA 1.261 55.309 54.000 0.081 0.000 0.833 299 D CB -0.739 40.099 40.800 0.063 0.000 0.961 299 D HN 0.012 nan 8.370 nan 0.000 0.470 300 T N -0.013 114.624 114.554 0.139 0.000 2.699 300 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 300 T C 1.975 176.824 174.700 0.250 0.000 1.036 300 T CA 1.307 63.529 62.100 0.203 0.000 1.147 300 T CB -0.112 68.834 68.868 0.130 0.000 0.862 300 T HN 0.174 nan 8.240 nan 0.000 0.446 301 R N 0.569 121.162 120.500 0.154 0.000 2.073 301 R HA 0.058 4.398 4.340 -0.000 0.000 0.229 301 R C 2.650 178.986 176.300 0.059 0.000 1.120 301 R CA 1.182 57.349 56.100 0.113 0.000 0.967 301 R CB -0.399 29.950 30.300 0.081 0.000 0.862 301 R HN 0.365 nan 8.270 nan 0.000 0.436 302 A N 1.153 124.001 122.820 0.047 0.000 1.902 302 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 302 A C 1.888 179.452 177.584 -0.034 0.000 1.181 302 A CA 1.640 53.682 52.037 0.009 0.000 0.623 302 A CB -0.417 18.592 19.000 0.015 0.000 0.818 302 A HN 0.492 nan 8.150 nan 0.000 0.443 303 E N -0.837 119.341 120.200 -0.036 0.000 2.072 303 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 303 E C 1.957 178.342 176.600 -0.358 0.000 0.985 303 E CA 1.152 57.459 56.400 -0.155 0.000 0.801 303 E CB -0.244 29.405 29.700 -0.085 0.000 0.750 303 E HN 0.537 nan 8.360 nan 0.000 0.452 304 L N 0.989 122.021 121.223 -0.320 0.000 2.017 304 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 304 L C 1.985 178.754 176.870 -0.168 0.000 1.073 304 L CA 1.627 56.283 54.840 -0.308 0.000 0.745 304 L CB -0.302 41.779 42.059 0.037 0.000 0.894 304 L HN 0.114 nan 8.230 nan 0.000 0.432 305 L N -0.560 120.609 121.223 -0.089 0.000 2.093 305 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 305 L C 2.687 179.498 176.870 -0.099 0.000 1.085 305 L CA 1.040 55.839 54.840 -0.069 0.000 0.755 305 L CB -1.073 40.965 42.059 -0.034 0.000 0.904 305 L HN 0.414 nan 8.230 nan 0.000 0.435 306 A N 0.516 123.266 122.820 -0.116 0.000 1.933 306 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 306 A C 2.196 179.689 177.584 -0.152 0.000 1.175 306 A CA 1.361 53.329 52.037 -0.116 0.000 0.628 306 A CB -0.516 18.423 19.000 -0.102 0.000 0.814 306 A HN 0.352 nan 8.150 nan 0.000 0.444 307 I N -0.413 120.035 120.570 -0.203 0.000 2.252 307 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 307 I C 2.945 178.911 176.117 -0.252 0.000 1.102 307 I CA 0.951 62.110 61.300 -0.234 0.000 1.385 307 I CB -0.375 37.459 38.000 -0.276 0.000 1.064 307 I HN 0.344 nan 8.210 nan 0.000 0.414 308 A N 0.971 123.660 122.820 -0.218 0.000 1.933 308 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 308 A C 2.359 179.839 177.584 -0.174 0.000 1.175 308 A CA 1.332 53.244 52.037 -0.209 0.000 0.628 308 A CB -0.561 18.372 19.000 -0.112 0.000 0.814 308 A HN 0.315 nan 8.150 nan 0.000 0.444 309 R N -0.728 119.693 120.500 -0.131 0.000 2.193 309 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 309 R C 2.017 178.242 176.300 -0.126 0.000 1.110 309 R CA 1.099 57.139 56.100 -0.099 0.000 0.988 309 R CB -0.201 30.055 30.300 -0.073 0.000 0.871 309 R HN 0.492 nan 8.270 nan 0.000 0.458 310 R N -0.058 120.336 120.500 -0.178 0.000 2.276 310 R HA 0.034 4.374 4.340 -0.000 0.000 0.203 310 R C 1.442 177.586 176.300 -0.260 0.000 1.017 310 R CA 0.661 56.645 56.100 -0.193 0.000 1.010 310 R CB 0.198 30.373 30.300 -0.208 0.000 0.900 310 R HN 0.180 nan 8.270 nan 0.000 0.469 311 L N -0.627 120.393 121.223 -0.339 0.000 2.731 311 L HA 0.138 4.478 4.340 -0.000 0.000 0.240 311 L C -0.114 176.618 176.870 -0.230 0.000 1.120 311 L CA -0.157 54.369 54.840 -0.524 0.000 0.913 311 L CB 0.426 41.796 42.059 -1.148 0.000 1.213 311 L HN 0.055 nan 8.230 nan 0.000 0.515 312 D N 0.659 121.008 120.400 -0.085 0.000 2.699 312 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 312 D C -2.077 174.333 176.300 0.183 0.000 1.136 312 D CA 0.062 54.090 54.000 0.046 0.000 0.668 312 D CB -0.144 40.684 40.800 0.048 0.000 1.060 312 D HN 0.156 nan 8.370 nan 0.000 0.429 313 P HA 0.062 nan 4.420 nan 0.000 0.274 313 P C 1.263 178.748 177.300 0.309 0.000 1.237 313 P CA -0.677 62.665 63.100 0.403 0.000 0.793 313 P CB 0.968 32.940 31.700 0.454 0.000 0.977 314 L N 3.552 124.990 121.223 0.360 0.000 2.127 314 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 314 L C 2.262 179.363 176.870 0.385 0.000 1.089 314 L CA 1.592 56.671 54.840 0.398 0.000 0.757 314 L CB -1.027 41.303 42.059 0.451 0.000 0.899 314 L HN 0.223 nan 8.230 nan 0.000 0.434 315 V N -0.528 119.543 119.914 0.263 0.000 2.720 315 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 315 V C 2.014 178.068 176.094 -0.068 0.000 1.082 315 V CA 1.668 63.825 62.300 -0.239 0.000 1.101 315 V CB -0.288 31.286 31.823 -0.415 0.000 0.693 315 V HN 0.513 nan 8.190 nan 0.000 0.479 316 L N 0.585 121.848 121.223 0.066 0.000 2.592 316 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 316 L C 1.313 178.244 176.870 0.101 0.000 1.127 316 L CA 0.246 55.124 54.840 0.063 0.000 0.884 316 L CB -0.115 41.974 42.059 0.049 0.000 1.065 316 L HN 0.427 nan 8.230 nan 0.000 0.457 317 R N -1.974 118.625 120.500 0.166 0.000 2.648 317 R HA 0.134 4.473 4.340 -0.000 0.000 0.341 317 R C -1.248 175.202 176.300 0.250 0.000 1.154 317 R CA -0.538 55.660 56.100 0.162 0.000 1.228 317 R CB -0.388 29.992 30.300 0.132 0.000 1.311 317 R HN 0.010 nan 8.270 nan 0.000 0.659 318 W N 1.979 123.334 121.300 0.090 0.000 2.294 318 W HA 0.562 5.222 4.660 -0.000 0.000 0.314 318 W C -0.629 175.958 176.519 0.114 0.000 1.044 318 W CA -0.888 56.573 57.345 0.193 0.000 1.284 318 W CB 1.399 31.010 29.460 0.252 0.000 1.231 318 W HN 0.370 nan 8.180 nan 0.000 0.419 319 A N 6.937 129.508 122.820 -0.414 0.000 3.215 319 A HA 0.371 4.691 4.320 -0.000 0.000 0.269 319 A C -0.520 176.424 177.584 -1.066 0.000 1.517 319 A CA -0.070 51.629 52.037 -0.563 0.000 1.221 319 A CB -0.704 18.028 19.000 -0.447 0.000 1.160 319 A HN 0.746 nan 8.150 nan 0.000 0.620 320 H N 0.000 118.652 119.070 -0.696 0.000 2.539 320 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 320 H CA 0.000 55.602 56.048 -0.743 0.000 1.023 320 H CB 0.000 28.915 29.762 -1.412 0.000 1.292 320 H HN 0.000 nan 8.280 nan 0.000 0.496