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 1q3q_1_A DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDCATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.089 176.094 -0.009 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 10 V N 8.478 128.387 119.914 -0.009 0.000 2.479 10 V HA 0.022 4.142 4.120 0.000 0.000 0.284 10 V C 1.281 177.370 176.094 -0.009 0.000 0.981 10 V CA 0.872 63.166 62.300 -0.009 0.000 1.139 10 V CB 0.183 32.002 31.823 -0.008 0.000 0.947 10 V HN 0.742 nan 8.190 nan 0.000 0.468 11 I N 4.414 124.978 120.570 -0.010 0.000 3.194 11 I HA 0.251 4.421 4.170 0.000 0.000 0.271 11 I C 0.679 176.791 176.117 -0.009 0.000 1.150 11 I CA 0.803 62.098 61.300 -0.009 0.000 1.440 11 I CB 0.028 38.023 38.000 -0.009 0.000 1.276 11 I HN 0.377 nan 8.210 nan 0.000 0.457 12 L N 1.740 122.956 121.223 -0.011 0.000 2.331 12 L HA 0.395 4.735 4.340 0.000 0.000 0.275 12 L C -2.132 174.732 176.870 -0.011 0.000 1.022 12 L CA -1.676 53.158 54.840 -0.011 0.000 0.812 12 L CB 0.920 42.970 42.059 -0.015 0.000 1.257 12 L HN -0.084 nan 8.230 nan 0.000 0.435 13 P HA 0.034 nan 4.420 nan 0.000 0.268 13 P C -1.022 176.273 177.300 -0.010 0.000 1.208 13 P CA -0.462 62.634 63.100 -0.007 0.000 0.777 13 P CB 0.336 32.033 31.700 -0.005 0.000 0.875 14 E N 1.023 121.218 120.200 -0.009 0.000 2.413 14 E HA 0.334 4.684 4.350 0.000 0.000 0.263 14 E C 1.059 177.654 176.600 -0.008 0.000 1.015 14 E CA 0.169 56.563 56.400 -0.010 0.000 0.916 14 E CB -0.335 29.360 29.700 -0.008 0.000 0.947 14 E HN 0.715 nan 8.360 nan 0.000 0.440 15 G N 2.457 111.251 108.800 -0.010 0.000 2.232 15 G HA2 -0.262 3.698 3.960 0.000 0.000 0.226 15 G HA3 -0.262 3.698 3.960 0.000 0.000 0.226 15 G C 0.336 175.233 174.900 -0.004 0.000 0.996 15 G CA 0.053 45.150 45.100 -0.005 0.000 0.626 15 G HN 0.769 nan 8.290 nan 0.000 0.509 16 T N 2.420 116.968 114.554 -0.010 0.000 2.916 16 T HA 0.474 4.824 4.350 0.000 0.000 0.303 16 T C 0.315 175.002 174.700 -0.022 0.000 1.025 16 T CA 0.467 62.562 62.100 -0.009 0.000 1.142 16 T CB 1.051 69.911 68.868 -0.013 0.000 0.947 16 T HN 0.498 nan 8.240 nan 0.000 0.544 17 Q N 2.028 121.826 119.800 -0.003 0.000 2.274 17 Q HA 0.630 4.970 4.340 0.000 0.000 0.260 17 Q C -0.238 175.725 176.000 -0.062 0.000 0.974 17 Q CA -0.805 54.978 55.803 -0.033 0.000 0.876 17 Q CB 2.199 31.007 28.738 0.117 0.000 1.297 17 Q HN 0.441 nan 8.270 nan 0.000 0.446 18 R N 1.937 122.265 120.500 -0.286 0.000 2.564 18 R HA 0.458 4.798 4.340 0.000 0.000 0.284 18 R C -1.890 174.117 176.300 -0.490 0.000 1.031 18 R CA -0.475 55.499 56.100 -0.209 0.000 0.904 18 R CB 1.305 31.534 30.300 -0.118 0.000 1.199 18 R HN 0.627 nan 8.270 nan 0.000 0.443 19 Y N 2.923 123.225 120.300 0.003 0.000 2.442 19 Y HA 0.487 5.037 4.550 0.000 0.000 0.344 19 Y C -0.147 175.756 175.900 0.005 0.000 0.976 19 Y CA -0.779 57.326 58.100 0.009 0.000 1.040 19 Y CB 2.305 40.777 38.460 0.021 0.000 1.228 19 Y HN 0.349 nan 8.280 nan 0.000 0.451 20 V N -0.472 119.508 119.914 0.111 0.000 3.102 20 V HA 1.044 5.164 4.120 0.000 0.000 0.312 20 V C 0.421 176.546 176.094 0.052 0.000 1.135 20 V CA -0.374 61.965 62.300 0.064 0.000 1.022 20 V CB 1.217 33.055 31.823 0.024 0.000 1.056 20 V HN 1.239 nan 8.190 nan 0.000 0.436 21 G N 1.804 110.620 108.800 0.027 0.000 2.596 21 G HA2 -0.374 3.586 3.960 0.000 0.000 0.295 21 G HA3 -0.374 3.586 3.960 0.000 0.000 0.295 21 G C 0.898 175.806 174.900 0.012 0.000 1.240 21 G CA 1.309 46.413 45.100 0.007 0.000 0.985 21 G HN 1.347 nan 8.290 nan 0.000 0.555 22 R N 0.317 120.820 120.500 0.006 0.000 2.120 22 R HA -0.090 4.250 4.340 0.000 0.000 0.234 22 R C 2.175 178.491 176.300 0.027 0.000 1.123 22 R CA 2.218 58.322 56.100 0.005 0.000 0.975 22 R CB -0.474 29.826 30.300 -0.000 0.000 0.866 22 R HN 0.598 nan 8.270 nan 0.000 0.446 23 D N 0.358 120.791 120.400 0.055 0.000 2.097 23 D HA -0.142 4.498 4.640 0.000 0.000 0.195 23 D C 1.751 178.114 176.300 0.105 0.000 0.989 23 D CA 1.679 55.740 54.000 0.102 0.000 0.827 23 D CB -0.363 40.535 40.800 0.163 0.000 0.966 23 D HN 0.355 nan 8.370 nan 0.000 0.456 24 A N 0.632 123.522 122.820 0.117 0.000 1.902 24 A HA -0.247 4.073 4.320 0.000 0.000 0.217 24 A C 2.131 179.734 177.584 0.032 0.000 1.181 24 A CA 1.639 53.731 52.037 0.092 0.000 0.623 24 A CB -0.643 18.416 19.000 0.099 0.000 0.818 24 A HN 0.237 nan 8.150 nan 0.000 0.443 25 Q N -1.058 118.754 119.800 0.020 0.000 2.046 25 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 25 Q C 2.386 178.378 176.000 -0.013 0.000 0.975 25 Q CA 1.570 57.373 55.803 0.000 0.000 0.836 25 Q CB -0.225 28.506 28.738 -0.010 0.000 0.896 25 Q HN 0.725 nan 8.270 nan 0.000 0.428 26 R N 0.518 121.011 120.500 -0.011 0.000 2.083 26 R HA -0.170 4.170 4.340 0.000 0.000 0.237 26 R C 2.111 178.376 176.300 -0.058 0.000 1.137 26 R CA 1.172 57.257 56.100 -0.026 0.000 0.951 26 R CB -0.193 30.101 30.300 -0.011 0.000 0.851 26 R HN 0.184 nan 8.270 nan 0.000 0.434 27 L N 1.251 122.433 121.223 -0.068 0.000 1.994 27 L HA -0.182 4.158 4.340 0.000 0.000 0.208 27 L C 1.984 178.751 176.870 -0.172 0.000 1.071 27 L CA 2.103 56.860 54.840 -0.139 0.000 0.745 27 L CB -1.622 40.322 42.059 -0.192 0.000 0.892 27 L HN 0.410 nan 8.230 nan 0.000 0.431 28 N N -0.155 118.517 118.700 -0.047 0.000 2.069 28 N HA -0.187 4.554 4.740 0.000 0.000 0.191 28 N C 1.952 177.421 175.510 -0.068 0.000 1.031 28 N CA 1.019 54.070 53.050 0.001 0.000 0.852 28 N CB -0.048 38.467 38.487 0.046 0.000 1.018 28 N HN 0.258 nan 8.380 nan 0.000 0.423 29 I N 1.016 121.552 120.570 -0.056 0.000 2.226 29 I HA -0.232 3.938 4.170 0.000 0.000 0.245 29 I C 2.311 178.379 176.117 -0.082 0.000 1.100 29 I CA 0.808 62.078 61.300 -0.051 0.000 1.374 29 I CB -0.168 37.814 38.000 -0.030 0.000 1.057 29 I HN 0.247 nan 8.210 nan 0.000 0.413 30 L N 0.574 121.730 121.223 -0.111 0.000 2.083 30 L HA -0.219 4.121 4.340 0.000 0.000 0.209 30 L C 2.741 179.512 176.870 -0.165 0.000 1.083 30 L CA 1.680 56.446 54.840 -0.122 0.000 0.752 30 L CB -0.374 41.610 42.059 -0.125 0.000 0.899 30 L HN 0.257 nan 8.230 nan 0.000 0.433 31 A N -0.406 122.251 122.820 -0.272 0.000 1.898 31 A HA -0.142 4.179 4.320 0.000 0.000 0.216 31 A C 2.413 179.907 177.584 -0.151 0.000 1.181 31 A CA 1.556 53.403 52.037 -0.318 0.000 0.620 31 A CB -0.625 17.944 19.000 -0.719 0.000 0.819 31 A HN 0.515 nan 8.150 nan 0.000 0.442 32 A N -0.320 122.438 122.820 -0.104 0.000 1.930 32 A HA -0.111 4.209 4.320 0.000 0.000 0.217 32 A C 2.239 179.792 177.584 -0.052 0.000 1.175 32 A CA 1.386 53.393 52.037 -0.051 0.000 0.627 32 A CB -0.426 18.558 19.000 -0.028 0.000 0.815 32 A HN 0.529 nan 8.150 nan 0.000 0.443 33 R N -0.538 119.926 120.500 -0.060 0.000 2.073 33 R HA -0.053 4.288 4.340 0.000 0.000 0.234 33 R C 1.982 178.250 176.300 -0.053 0.000 1.134 33 R CA 1.655 57.724 56.100 -0.052 0.000 0.952 33 R CB -0.489 29.781 30.300 -0.051 0.000 0.850 33 R HN 0.565 nan 8.270 nan 0.000 0.433 34 I N 0.583 121.114 120.570 -0.064 0.000 2.286 34 I HA -0.283 3.887 4.170 0.000 0.000 0.248 34 I C 2.194 178.285 176.117 -0.045 0.000 1.115 34 I CA 0.911 62.178 61.300 -0.056 0.000 1.392 34 I CB -0.201 37.758 38.000 -0.068 0.000 1.065 34 I HN 0.158 nan 8.210 nan 0.000 0.418 35 I N 1.011 121.555 120.570 -0.044 0.000 2.179 35 I HA -0.268 3.902 4.170 0.000 0.000 0.242 35 I C 2.836 178.936 176.117 -0.029 0.000 1.088 35 I CA 1.764 63.046 61.300 -0.030 0.000 1.357 35 I CB -1.301 36.685 38.000 -0.023 0.000 1.051 35 I HN 0.183 nan 8.210 nan 0.000 0.409 36 A N 0.399 123.199 122.820 -0.034 0.000 1.902 36 A HA -0.212 4.108 4.320 0.000 0.000 0.217 36 A C 2.193 179.756 177.584 -0.035 0.000 1.181 36 A CA 1.569 53.585 52.037 -0.035 0.000 0.623 36 A CB -0.627 18.349 19.000 -0.040 0.000 0.818 36 A HN 0.495 nan 8.150 nan 0.000 0.443 37 E N -0.867 119.311 120.200 -0.036 0.000 2.153 37 E HA -0.120 4.231 4.350 0.000 0.000 0.194 37 E C 1.975 178.557 176.600 -0.030 0.000 0.988 37 E CA 1.446 57.826 56.400 -0.034 0.000 0.811 37 E CB -0.304 29.375 29.700 -0.034 0.000 0.746 37 E HN 0.589 nan 8.360 nan 0.000 0.466 38 T N 0.715 115.252 114.554 -0.028 0.000 2.746 38 T HA -0.125 4.225 4.350 0.000 0.000 0.267 38 T C 2.094 176.781 174.700 -0.023 0.000 1.039 38 T CA 1.540 63.626 62.100 -0.024 0.000 1.142 38 T CB -0.052 68.803 68.868 -0.022 0.000 0.866 38 T HN 0.208 nan 8.240 nan 0.000 0.444 39 V N 1.304 121.204 119.914 -0.023 0.000 3.506 39 V HA 0.156 4.276 4.120 0.000 0.000 0.263 39 V C 2.225 178.304 176.094 -0.026 0.000 1.203 39 V CA 0.616 62.903 62.300 -0.022 0.000 1.133 39 V CB -0.751 31.060 31.823 -0.020 0.000 0.802 39 V HN 0.446 nan 8.190 nan 0.000 0.459 40 R N 2.448 122.931 120.500 -0.029 0.000 2.193 40 R HA -0.119 4.221 4.340 0.000 0.000 0.229 40 R C 1.937 178.218 176.300 -0.033 0.000 1.110 40 R CA 1.878 57.958 56.100 -0.033 0.000 0.988 40 R CB -1.692 28.587 30.300 -0.036 0.000 0.871 40 R HN 0.631 nan 8.270 nan 0.000 0.458 41 T N -1.900 112.636 114.554 -0.029 0.000 3.113 41 T HA -0.069 4.281 4.350 0.000 0.000 0.263 41 T C 1.751 176.434 174.700 -0.028 0.000 1.143 41 T CA 1.049 63.132 62.100 -0.029 0.000 1.090 41 T CB -0.171 68.682 68.868 -0.025 0.000 0.922 41 T HN 0.500 nan 8.240 nan 0.000 0.521 42 T N -0.816 113.723 114.554 -0.026 0.000 3.081 42 T HA 0.318 4.668 4.350 0.000 0.000 0.250 42 T C 0.498 175.182 174.700 -0.026 0.000 1.100 42 T CA -0.590 61.496 62.100 -0.023 0.000 1.038 42 T CB -0.444 68.413 68.868 -0.019 0.000 0.962 42 T HN 0.301 nan 8.240 nan 0.000 0.516 43 L N 2.704 123.908 121.223 -0.032 0.000 2.455 43 L HA 0.526 4.866 4.340 0.000 0.000 0.272 43 L C 0.875 177.716 176.870 -0.048 0.000 1.174 43 L CA 1.562 56.380 54.840 -0.037 0.000 0.869 43 L CB -0.516 41.519 42.059 -0.040 0.000 1.130 43 L HN 0.676 nan 8.230 nan 0.000 0.474 44 G N 4.197 112.970 108.800 -0.045 0.000 2.782 44 G HA2 -0.214 3.746 3.960 0.000 0.000 0.228 44 G HA3 -0.214 3.746 3.960 0.000 0.000 0.228 44 G C -1.922 172.937 174.900 -0.068 0.000 1.372 44 G CA -0.398 44.664 45.100 -0.062 0.000 0.862 44 G HN 0.537 nan 8.290 nan 0.000 0.547 45 P HA -0.046 nan 4.420 nan 0.000 0.217 45 P C 1.447 178.686 177.300 -0.102 0.000 1.148 45 P CA 1.776 64.811 63.100 -0.109 0.000 0.828 45 P CB 0.094 31.566 31.700 -0.379 0.000 0.783 46 K N -0.940 119.368 120.400 -0.153 0.000 2.397 46 K HA 0.255 4.575 4.320 0.000 0.000 0.202 46 K C 1.018 177.584 176.600 -0.057 0.000 1.022 46 K CA -0.006 56.222 56.287 -0.097 0.000 1.141 46 K CB 0.058 32.479 32.500 -0.131 0.000 0.857 46 K HN 0.070 nan 8.250 nan 0.000 0.514 47 G N 1.186 109.956 108.800 -0.050 0.000 2.483 47 G HA2 0.284 4.244 3.960 0.000 0.000 0.248 47 G HA3 0.284 4.244 3.960 0.000 0.000 0.248 47 G C 0.148 175.036 174.900 -0.020 0.000 1.248 47 G CA -0.300 44.779 45.100 -0.035 0.000 0.838 47 G HN -0.081 nan 8.290 nan 0.000 0.566 48 M N 0.512 120.101 119.600 -0.018 0.000 2.792 48 M HA 0.419 4.899 4.480 0.000 0.000 0.294 48 M C -0.487 175.806 176.300 -0.012 0.000 1.215 48 M CA -0.723 54.570 55.300 -0.012 0.000 0.883 48 M CB 1.621 34.213 32.600 -0.013 0.000 1.620 48 M HN 0.381 nan 8.290 nan 0.000 0.511 49 D N 0.473 120.867 120.400 -0.011 0.000 2.384 49 D HA 0.546 5.187 4.640 0.000 0.000 0.250 49 D C -0.629 175.662 176.300 -0.014 0.000 1.029 49 D CA -0.409 53.585 54.000 -0.011 0.000 0.990 49 D CB 1.283 42.078 40.800 -0.009 0.000 1.175 49 D HN 0.256 nan 8.370 nan 0.000 0.532 50 K N 0.121 120.513 120.400 -0.014 0.000 2.328 50 K HA 0.534 4.854 4.320 0.000 0.000 0.246 50 K C -0.654 175.934 176.600 -0.019 0.000 0.955 50 K CA -0.786 55.491 56.287 -0.016 0.000 0.817 50 K CB 2.690 35.182 32.500 -0.013 0.000 1.208 50 K HN 0.280 nan 8.250 nan 0.000 0.432 51 M N 4.147 123.733 119.600 -0.024 0.000 2.114 51 M HA 0.351 4.831 4.480 0.000 0.000 0.332 51 M C -1.740 174.549 176.300 -0.019 0.000 1.014 51 M CA -0.675 54.606 55.300 -0.032 0.000 0.956 51 M CB 0.529 33.100 32.600 -0.047 0.000 1.551 51 M HN 0.465 nan 8.290 nan 0.000 0.427 52 L N 6.233 127.450 121.223 -0.009 0.000 2.305 52 L HA 0.614 4.954 4.340 0.000 0.000 0.284 52 L C -1.023 175.851 176.870 0.006 0.000 1.013 52 L CA -1.004 53.835 54.840 -0.000 0.000 0.819 52 L CB 1.524 43.586 42.059 0.005 0.000 1.227 52 L HN 0.397 nan 8.230 nan 0.000 0.417 53 V N 1.556 121.472 119.914 0.004 0.000 2.378 53 V HA 0.217 4.338 4.120 0.000 0.000 0.288 53 V C -0.202 175.897 176.094 0.009 0.000 1.016 53 V CA -0.884 61.421 62.300 0.009 0.000 0.840 53 V CB 1.375 33.200 31.823 0.003 0.000 0.994 53 V HN 0.813 nan 8.190 nan 0.000 0.431 54 D N 3.519 123.927 120.400 0.013 0.000 2.414 54 D HA 0.102 4.743 4.640 0.000 0.000 0.259 54 D C 1.510 177.815 176.300 0.009 0.000 1.269 54 D CA 0.165 54.172 54.000 0.011 0.000 1.028 54 D CB 0.504 41.311 40.800 0.012 0.000 1.093 54 D HN 0.439 nan 8.370 nan 0.000 0.545 55 S N -1.031 114.674 115.700 0.008 0.000 2.423 55 S HA -0.117 4.353 4.470 0.000 0.000 0.231 55 S C 1.788 176.393 174.600 0.008 0.000 1.014 55 S CA 0.466 58.670 58.200 0.007 0.000 0.965 55 S CB -0.684 62.520 63.200 0.006 0.000 0.785 55 S HN 0.513 nan 8.310 nan 0.000 0.495 56 L N 0.830 122.059 121.223 0.009 0.000 2.591 56 L HA 0.320 4.661 4.340 0.000 0.000 0.228 56 L C 1.866 178.743 176.870 0.012 0.000 1.133 56 L CA 0.393 55.239 54.840 0.010 0.000 0.880 56 L CB -0.641 41.423 42.059 0.009 0.000 1.033 56 L HN 0.606 nan 8.230 nan 0.000 0.450 57 G N 0.395 109.203 108.800 0.014 0.000 2.157 57 G HA2 -0.300 3.660 3.960 0.000 0.000 0.239 57 G HA3 -0.300 3.660 3.960 0.000 0.000 0.239 57 G C -0.027 174.889 174.900 0.026 0.000 0.982 57 G CA 0.189 45.300 45.100 0.017 0.000 0.650 57 G HN 0.428 nan 8.290 nan 0.000 0.527 58 D N 0.143 120.560 120.400 0.028 0.000 2.350 58 D HA 0.514 5.154 4.640 0.000 0.000 0.249 58 D C 0.740 177.076 176.300 0.059 0.000 1.119 58 D CA -0.130 53.895 54.000 0.041 0.000 0.886 58 D CB 0.376 41.193 40.800 0.029 0.000 1.195 58 D HN 0.299 nan 8.370 nan 0.000 0.437 59 I N 3.443 124.079 120.570 0.110 0.000 2.404 59 I HA 0.331 4.501 4.170 0.000 0.000 0.293 59 I C -0.676 175.562 176.117 0.201 0.000 0.992 59 I CA -0.974 60.405 61.300 0.131 0.000 1.149 59 I CB 1.809 39.873 38.000 0.106 0.000 1.315 59 I HN 0.110 nan 8.210 nan 0.000 0.446 60 V N 6.930 126.905 119.914 0.101 0.000 2.531 60 V HA 0.437 4.557 4.120 0.000 0.000 0.301 60 V C -0.357 175.767 176.094 0.050 0.000 1.034 60 V CA -0.667 61.695 62.300 0.103 0.000 0.865 60 V CB 2.260 34.116 31.823 0.056 0.000 0.995 60 V HN 0.400 nan 8.190 nan 0.000 0.424 61 V N 4.565 124.521 119.914 0.069 0.000 2.407 61 V HA 0.770 4.890 4.120 0.000 0.000 0.291 61 V C 0.040 176.148 176.094 0.024 0.000 1.018 61 V CA -0.190 62.117 62.300 0.011 0.000 0.842 61 V CB 1.664 33.464 31.823 -0.039 0.000 0.996 61 V HN 1.076 nan 8.190 nan 0.000 0.426 62 T N 0.475 115.034 114.554 0.008 0.000 2.754 62 T HA 0.402 4.752 4.350 0.000 0.000 0.296 62 T C 0.338 175.036 174.700 -0.003 0.000 1.205 62 T CA -0.632 61.471 62.100 0.004 0.000 1.009 62 T CB 2.349 71.218 68.868 0.002 0.000 1.368 62 T HN 0.433 nan 8.240 nan 0.000 0.509 63 N N -0.617 118.080 118.700 -0.005 0.000 2.257 63 N HA 0.021 4.761 4.740 0.000 0.000 0.200 63 N C -0.622 174.883 175.510 -0.009 0.000 1.163 63 N CA 0.008 53.054 53.050 -0.007 0.000 0.891 63 N CB 0.547 39.031 38.487 -0.005 0.000 1.067 63 N HN 0.690 nan 8.380 nan 0.000 0.497 64 D N 1.142 121.536 120.400 -0.009 0.000 2.346 64 D HA -0.010 4.630 4.640 0.000 0.000 0.260 64 D C 1.529 177.824 176.300 -0.009 0.000 1.252 64 D CA -0.057 53.936 54.000 -0.010 0.000 0.895 64 D CB 0.710 41.502 40.800 -0.013 0.000 1.097 64 D HN 0.161 nan 8.370 nan 0.000 0.489 65 C N 4.127 123.421 119.300 -0.010 0.000 2.413 65 C HA -0.125 4.335 4.460 0.000 0.000 0.276 65 C C 2.516 177.501 174.990 -0.008 0.000 1.248 65 C CA 1.345 60.357 59.018 -0.010 0.000 1.742 65 C CB -1.282 26.450 27.740 -0.013 0.000 2.017 65 C HN 0.770 nan 8.230 nan 0.000 0.481 66 A N -0.313 122.503 122.820 -0.007 0.000 1.902 66 A HA -0.105 4.215 4.320 0.000 0.000 0.217 66 A C 2.329 179.911 177.584 -0.003 0.000 1.181 66 A CA 2.523 54.558 52.037 -0.004 0.000 0.623 66 A CB -1.269 17.729 19.000 -0.003 0.000 0.818 66 A HN 0.637 nan 8.150 nan 0.000 0.443 67 T N 0.212 114.764 114.554 -0.004 0.000 2.777 67 T HA -0.045 4.305 4.350 0.000 0.000 0.266 67 T C 1.801 176.501 174.700 -0.000 0.000 1.040 67 T CA 1.374 63.472 62.100 -0.002 0.000 1.141 67 T CB -0.363 68.502 68.868 -0.004 0.000 0.868 67 T HN 0.410 nan 8.240 nan 0.000 0.444 68 I N 0.811 121.380 120.570 -0.002 0.000 2.142 68 I HA -0.146 4.024 4.170 0.000 0.000 0.240 68 I C 2.257 178.373 176.117 -0.001 0.000 1.078 68 I CA 1.350 62.649 61.300 -0.002 0.000 1.343 68 I CB -0.358 37.639 38.000 -0.005 0.000 1.046 68 I HN 0.193 nan 8.210 nan 0.000 0.405 69 L N 0.178 121.400 121.223 -0.002 0.000 2.141 69 L HA -0.227 4.113 4.340 0.000 0.000 0.209 69 L C 2.152 179.023 176.870 0.002 0.000 1.094 69 L CA 1.409 56.248 54.840 -0.000 0.000 0.763 69 L CB -0.684 41.374 42.059 -0.001 0.000 0.908 69 L HN 0.322 nan 8.230 nan 0.000 0.437 70 D N -0.134 120.267 120.400 0.002 0.000 2.219 70 D HA -0.159 4.481 4.640 0.000 0.000 0.205 70 D C 2.147 178.449 176.300 0.004 0.000 0.970 70 D CA 1.070 55.072 54.000 0.003 0.000 0.851 70 D CB 0.311 41.113 40.800 0.003 0.000 0.943 70 D HN -0.009 nan 8.370 nan 0.000 0.488 71 K N 0.555 120.957 120.400 0.004 0.000 2.044 71 K HA 0.106 4.426 4.320 0.000 0.000 0.204 71 K C 1.158 177.762 176.600 0.006 0.000 1.045 71 K CA 0.129 56.419 56.287 0.006 0.000 0.951 71 K CB -0.757 31.747 32.500 0.007 0.000 0.738 71 K HN 0.397 nan 8.250 nan 0.000 0.443 72 I N 1.305 121.878 120.570 0.004 0.000 2.752 72 I HA 0.002 4.172 4.170 0.000 0.000 0.287 72 I C -0.046 176.075 176.117 0.006 0.000 1.188 72 I CA -0.154 61.149 61.300 0.004 0.000 1.427 72 I CB 0.198 38.200 38.000 0.002 0.000 1.365 72 I HN -0.066 nan 8.210 nan 0.000 0.585 73 D N 6.971 127.374 120.400 0.006 0.000 2.483 73 D HA 0.321 4.961 4.640 0.000 0.000 0.220 73 D C -0.215 176.090 176.300 0.010 0.000 1.173 73 D CA -0.246 53.758 54.000 0.007 0.000 0.964 73 D CB 0.030 40.834 40.800 0.007 0.000 1.046 73 D HN 0.486 nan 8.370 nan 0.000 0.517 74 L N 2.934 124.164 121.223 0.012 0.000 2.426 74 L HA 0.132 4.472 4.340 0.000 0.000 0.271 74 L C 1.599 178.481 176.870 0.021 0.000 1.169 74 L CA -0.447 54.404 54.840 0.019 0.000 0.836 74 L CB 1.081 43.153 42.059 0.022 0.000 1.112 74 L HN 0.344 nan 8.230 nan 0.000 0.465 75 Q N 0.678 120.498 119.800 0.032 0.000 2.263 75 Q HA 0.023 4.363 4.340 0.000 0.000 0.196 75 Q C 0.385 176.395 176.000 0.018 0.000 0.965 75 Q CA 0.542 56.359 55.803 0.023 0.000 0.851 75 Q CB -0.126 28.628 28.738 0.028 0.000 0.948 75 Q HN 0.584 nan 8.270 nan 0.000 0.516 76 H N 3.141 122.196 119.070 -0.025 0.000 3.034 76 H HA -0.036 4.520 4.556 0.000 0.000 0.324 76 H C -1.567 173.743 175.328 -0.031 0.000 1.015 76 H CA -0.713 55.313 56.048 -0.038 0.000 1.429 76 H CB 1.050 30.781 29.762 -0.052 0.000 1.429 76 H HN -0.056 nan 8.280 nan 0.000 0.585 77 P HA -0.211 nan 4.420 nan 0.000 0.215 77 P C 0.991 178.313 177.300 0.037 0.000 1.157 77 P CA 2.114 65.139 63.100 -0.125 0.000 0.868 77 P CB 0.068 31.648 31.700 -0.200 0.000 0.788 78 A N -0.121 122.831 122.820 0.219 0.000 1.933 78 A HA -0.098 4.222 4.320 0.000 0.000 0.218 78 A C 2.323 179.983 177.584 0.127 0.000 1.175 78 A CA 2.029 54.183 52.037 0.196 0.000 0.628 78 A CB -1.579 17.555 19.000 0.223 0.000 0.814 78 A HN 0.204 nan 8.150 nan 0.000 0.444 79 A N -0.263 122.654 122.820 0.162 0.000 1.930 79 A HA -0.126 4.194 4.320 0.000 0.000 0.217 79 A C 2.103 179.715 177.584 0.047 0.000 1.175 79 A CA 1.676 53.755 52.037 0.069 0.000 0.627 79 A CB -0.375 18.666 19.000 0.069 0.000 0.815 79 A HN 0.523 nan 8.150 nan 0.000 0.443 80 K N -0.861 119.568 120.400 0.049 0.000 2.057 80 K HA -0.071 4.249 4.320 0.000 0.000 0.207 80 K C 2.006 178.618 176.600 0.021 0.000 1.049 80 K CA 1.634 57.936 56.287 0.025 0.000 0.931 80 K CB -0.291 32.217 32.500 0.013 0.000 0.714 80 K HN 0.508 nan 8.250 nan 0.000 0.440 81 M N -0.195 119.421 119.600 0.027 0.000 2.267 81 M HA -0.175 4.305 4.480 0.000 0.000 0.263 81 M C 2.160 178.471 176.300 0.018 0.000 1.063 81 M CA 1.278 56.592 55.300 0.022 0.000 1.090 81 M CB -0.155 32.462 32.600 0.028 0.000 1.392 81 M HN 0.105 nan 8.290 nan 0.000 0.422 82 M N -0.322 119.288 119.600 0.017 0.000 2.254 82 M HA -0.093 4.387 4.480 0.000 0.000 0.265 82 M C 1.829 178.132 176.300 0.005 0.000 1.066 82 M CA 1.225 56.530 55.300 0.007 0.000 1.123 82 M CB -0.208 32.393 32.600 0.002 0.000 1.388 82 M HN 0.017 nan 8.290 nan 0.000 0.425 83 V N 0.016 119.935 119.914 0.007 0.000 2.407 83 V HA -0.279 3.842 4.120 0.000 0.000 0.248 83 V C 2.002 178.100 176.094 0.006 0.000 1.055 83 V CA 1.914 64.218 62.300 0.005 0.000 1.049 83 V CB -0.955 30.873 31.823 0.007 0.000 0.662 83 V HN 0.499 nan 8.190 nan 0.000 0.455 84 E N -0.024 120.181 120.200 0.008 0.000 2.204 84 E HA -0.153 4.197 4.350 0.000 0.000 0.195 84 E C 2.254 178.859 176.600 0.008 0.000 0.990 84 E CA 1.260 57.665 56.400 0.009 0.000 0.821 84 E CB -0.200 29.507 29.700 0.011 0.000 0.750 84 E HN 0.499 nan 8.360 nan 0.000 0.477 85 V N 1.513 121.431 119.914 0.006 0.000 2.307 85 V HA -0.255 3.865 4.120 0.000 0.000 0.245 85 V C 2.382 178.476 176.094 0.001 0.000 1.045 85 V CA 1.912 64.214 62.300 0.003 0.000 1.024 85 V CB -0.649 31.173 31.823 -0.002 0.000 0.651 85 V HN 0.307 nan 8.190 nan 0.000 0.449 86 A N -0.529 122.291 122.820 -0.001 0.000 1.930 86 A HA -0.242 4.078 4.320 0.000 0.000 0.217 86 A C 2.329 179.913 177.584 0.001 0.000 1.175 86 A CA 2.103 54.139 52.037 -0.002 0.000 0.627 86 A CB -0.440 18.558 19.000 -0.004 0.000 0.815 86 A HN 0.516 nan 8.150 nan 0.000 0.443 87 K N -0.936 119.466 120.400 0.003 0.000 2.001 87 K HA -0.121 4.199 4.320 0.000 0.000 0.208 87 K C 2.047 178.651 176.600 0.007 0.000 1.048 87 K CA 1.849 58.139 56.287 0.005 0.000 0.932 87 K CB -0.315 32.189 32.500 0.006 0.000 0.715 87 K HN 0.429 nan 8.250 nan 0.000 0.437 88 T N 0.743 115.301 114.554 0.008 0.000 2.788 88 T HA -0.175 4.175 4.350 0.000 0.000 0.268 88 T C 1.740 176.445 174.700 0.009 0.000 1.044 88 T CA 1.552 63.657 62.100 0.009 0.000 1.139 88 T CB -0.186 68.688 68.868 0.011 0.000 0.867 88 T HN 0.299 nan 8.240 nan 0.000 0.454 89 Q N 1.410 121.214 119.800 0.006 0.000 2.084 89 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 89 Q C 1.850 177.854 176.000 0.006 0.000 0.978 89 Q CA 1.931 57.737 55.803 0.005 0.000 0.844 89 Q CB -0.542 28.196 28.738 0.001 0.000 0.898 89 Q HN 0.530 nan 8.270 nan 0.000 0.426 90 D N -0.632 119.772 120.400 0.006 0.000 2.117 90 D HA -0.134 4.506 4.640 0.000 0.000 0.197 90 D C 1.449 177.756 176.300 0.011 0.000 0.987 90 D CA 1.250 55.255 54.000 0.007 0.000 0.829 90 D CB 0.128 40.931 40.800 0.005 0.000 0.961 90 D HN 0.237 nan 8.370 nan 0.000 0.460 91 K N -0.214 120.193 120.400 0.012 0.000 2.155 91 K HA -0.057 4.263 4.320 0.000 0.000 0.203 91 K C 1.972 178.581 176.600 0.015 0.000 1.052 91 K CA 0.764 57.060 56.287 0.014 0.000 0.948 91 K CB 0.156 32.664 32.500 0.013 0.000 0.728 91 K HN 0.180 nan 8.250 nan 0.000 0.448 92 E N -0.173 120.035 120.200 0.014 0.000 2.075 92 E HA -0.017 4.333 4.350 0.000 0.000 0.190 92 E C 1.496 178.105 176.600 0.015 0.000 0.969 92 E CA 0.984 57.393 56.400 0.014 0.000 0.815 92 E CB 0.331 30.039 29.700 0.013 0.000 0.776 92 E HN 0.240 nan 8.360 nan 0.000 0.457 93 A N -0.786 122.042 122.820 0.014 0.000 2.390 93 A HA 0.492 4.812 4.320 0.000 0.000 0.225 93 A C 1.525 179.117 177.584 0.014 0.000 1.232 93 A CA 1.097 53.142 52.037 0.014 0.000 0.964 93 A CB 0.584 19.591 19.000 0.011 0.000 1.064 93 A HN 0.268 nan 8.150 nan 0.000 0.525 94 G N 0.119 108.927 108.800 0.013 0.000 5.155 94 G HA2 -0.296 3.664 3.960 0.000 0.000 0.239 94 G HA3 -0.296 3.664 3.960 0.000 0.000 0.239 94 G C 0.148 175.052 174.900 0.007 0.000 1.409 94 G CA 0.484 45.591 45.100 0.013 0.000 0.927 94 G HN 0.494 nan 8.290 nan 0.000 0.710 95 D N 1.283 121.687 120.400 0.007 0.000 2.423 95 D HA 0.507 5.147 4.640 0.000 0.000 0.255 95 D C 1.306 177.606 176.300 0.000 0.000 1.174 95 D CA 1.385 55.387 54.000 0.003 0.000 1.008 95 D CB 0.561 41.364 40.800 0.004 0.000 1.101 95 D HN 1.654 nan 8.370 nan 0.000 0.516 96 G N -0.505 108.293 108.800 -0.004 0.000 2.136 96 G HA2 -0.303 3.657 3.960 0.000 0.000 0.242 96 G HA3 -0.303 3.657 3.960 0.000 0.000 0.242 96 G C 1.029 175.922 174.900 -0.010 0.000 0.989 96 G CA 1.162 46.258 45.100 -0.008 0.000 0.682 96 G HN 0.580 nan 8.290 nan 0.000 0.522 97 T N -3.416 111.132 114.554 -0.009 0.000 2.904 97 T HA -0.019 4.331 4.350 0.000 0.000 0.267 97 T C 2.225 176.916 174.700 -0.015 0.000 1.059 97 T CA 2.363 64.457 62.100 -0.010 0.000 1.137 97 T CB -0.356 68.508 68.868 -0.007 0.000 0.879 97 T HN 0.267 nan 8.240 nan 0.000 0.467 98 T N 2.010 116.553 114.554 -0.017 0.000 2.770 98 T HA -0.061 4.289 4.350 0.000 0.000 0.263 98 T C 2.241 176.924 174.700 -0.028 0.000 1.039 98 T CA 1.755 63.841 62.100 -0.022 0.000 1.142 98 T CB -0.957 67.897 68.868 -0.023 0.000 0.868 98 T HN 0.462 nan 8.240 nan 0.000 0.435 99 T N 2.202 116.739 114.554 -0.028 0.000 2.665 99 T HA -0.129 4.221 4.350 0.000 0.000 0.268 99 T C 2.370 177.045 174.700 -0.042 0.000 1.035 99 T CA 1.397 63.476 62.100 -0.035 0.000 1.151 99 T CB -0.619 68.231 68.868 -0.029 0.000 0.862 99 T HN 0.439 nan 8.240 nan 0.000 0.438 100 A N 0.646 123.446 122.820 -0.033 0.000 1.902 100 A HA -0.048 4.272 4.320 0.000 0.000 0.217 100 A C 2.589 180.148 177.584 -0.041 0.000 1.181 100 A CA 1.420 53.436 52.037 -0.035 0.000 0.623 100 A CB -0.906 18.082 19.000 -0.021 0.000 0.818 100 A HN 0.376 nan 8.150 nan 0.000 0.443 101 V N -0.522 119.372 119.914 -0.034 0.000 2.379 101 V HA -0.186 3.934 4.120 0.000 0.000 0.245 101 V C 2.563 178.630 176.094 -0.045 0.000 1.044 101 V CA 1.817 64.097 62.300 -0.033 0.000 1.036 101 V CB -0.600 31.208 31.823 -0.025 0.000 0.664 101 V HN 0.367 nan 8.190 nan 0.000 0.453 102 V N -0.136 119.749 119.914 -0.048 0.000 2.343 102 V HA -0.248 3.872 4.120 0.000 0.000 0.247 102 V C 2.173 178.221 176.094 -0.077 0.000 1.051 102 V CA 2.100 64.367 62.300 -0.056 0.000 1.036 102 V CB -0.464 31.328 31.823 -0.052 0.000 0.654 102 V HN 0.436 nan 8.190 nan 0.000 0.451 103 I N 0.292 120.806 120.570 -0.092 0.000 2.252 103 I HA -0.203 3.968 4.170 0.000 0.000 0.245 103 I C 2.647 178.669 176.117 -0.158 0.000 1.102 103 I CA 1.333 62.549 61.300 -0.141 0.000 1.385 103 I CB -0.506 37.399 38.000 -0.158 0.000 1.064 103 I HN 0.283 nan 8.210 nan 0.000 0.414 104 A N 0.798 123.550 122.820 -0.113 0.000 1.902 104 A HA -0.148 4.172 4.320 0.000 0.000 0.217 104 A C 2.411 179.954 177.584 -0.067 0.000 1.181 104 A CA 1.963 53.947 52.037 -0.090 0.000 0.623 104 A CB -1.389 17.582 19.000 -0.050 0.000 0.818 104 A HN 0.464 nan 8.150 nan 0.000 0.443 105 G N -0.642 108.122 108.800 -0.060 0.000 2.402 105 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 105 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 105 G C 1.461 176.331 174.900 -0.050 0.000 1.162 105 G CA 1.244 46.316 45.100 -0.047 0.000 0.777 105 G HN 0.568 nan 8.290 nan 0.000 0.539 106 E N -0.159 119.997 120.200 -0.073 0.000 2.110 106 E HA -0.060 4.290 4.350 0.000 0.000 0.193 106 E C 2.331 178.886 176.600 -0.076 0.000 0.988 106 E CA 0.405 56.760 56.400 -0.075 0.000 0.804 106 E CB -0.341 29.300 29.700 -0.097 0.000 0.745 106 E HN 0.220 nan 8.360 nan 0.000 0.458 107 L N 0.203 121.349 121.223 -0.128 0.000 2.042 107 L HA -0.119 4.221 4.340 0.000 0.000 0.210 107 L C 2.147 179.079 176.870 0.104 0.000 1.076 107 L CA 1.551 56.311 54.840 -0.134 0.000 0.749 107 L CB -0.662 41.223 42.059 -0.291 0.000 0.893 107 L HN 0.291 nan 8.230 nan 0.000 0.432 108 L N -1.443 119.815 121.223 0.059 0.000 2.109 108 L HA -0.168 4.172 4.340 0.000 0.000 0.207 108 L C 2.711 179.609 176.870 0.047 0.000 1.086 108 L CA 0.971 55.855 54.840 0.074 0.000 0.760 108 L CB -0.487 41.590 42.059 0.030 0.000 0.910 108 L HN 0.249 nan 8.230 nan 0.000 0.437 109 R N 0.565 121.076 120.500 0.019 0.000 2.073 109 R HA -0.159 4.181 4.340 0.000 0.000 0.234 109 R C 2.238 178.555 176.300 0.028 0.000 1.134 109 R CA 1.308 57.413 56.100 0.008 0.000 0.952 109 R CB 0.023 30.317 30.300 -0.010 0.000 0.850 109 R HN 0.207 nan 8.270 nan 0.000 0.433 110 K N 0.007 120.438 120.400 0.052 0.000 2.148 110 K HA -0.069 4.251 4.320 0.000 0.000 0.204 110 K C 1.931 178.593 176.600 0.103 0.000 1.050 110 K CA 1.160 57.495 56.287 0.080 0.000 0.942 110 K CB -0.073 32.489 32.500 0.103 0.000 0.724 110 K HN 0.257 nan 8.250 nan 0.000 0.446 111 A N 1.302 124.195 122.820 0.123 0.000 1.929 111 A HA -0.156 4.164 4.320 0.000 0.000 0.216 111 A C 2.069 179.643 177.584 -0.016 0.000 1.176 111 A CA 1.306 53.354 52.037 0.019 0.000 0.628 111 A CB -0.291 18.689 19.000 -0.033 0.000 0.816 111 A HN 0.390 nan 8.150 nan 0.000 0.444 112 E N 0.164 120.365 120.200 0.002 0.000 2.153 112 E HA -0.209 4.141 4.350 0.000 0.000 0.194 112 E C 1.755 178.349 176.600 -0.010 0.000 0.988 112 E CA 1.217 57.611 56.400 -0.011 0.000 0.811 112 E CB -0.118 29.577 29.700 -0.009 0.000 0.746 112 E HN 0.735 nan 8.360 nan 0.000 0.466 113 E N 0.218 120.419 120.200 0.001 0.000 2.118 113 E HA -0.197 4.153 4.350 0.000 0.000 0.195 113 E C 2.167 178.765 176.600 -0.003 0.000 0.992 113 E CA 1.059 57.461 56.400 0.002 0.000 0.804 113 E CB -0.036 29.671 29.700 0.013 0.000 0.741 113 E HN 0.389 nan 8.360 nan 0.000 0.458 114 L N 0.472 121.690 121.223 -0.009 0.000 2.109 114 L HA -0.119 4.221 4.340 0.000 0.000 0.207 114 L C 2.433 179.287 176.870 -0.027 0.000 1.086 114 L CA 0.549 55.378 54.840 -0.018 0.000 0.760 114 L CB -0.297 41.741 42.059 -0.034 0.000 0.910 114 L HN 0.155 nan 8.230 nan 0.000 0.437 115 L N -0.415 120.787 121.223 -0.035 0.000 2.083 115 L HA -0.221 4.119 4.340 0.000 0.000 0.209 115 L C 2.161 179.013 176.870 -0.029 0.000 1.083 115 L CA 1.134 55.950 54.840 -0.040 0.000 0.752 115 L CB -0.515 41.518 42.059 -0.044 0.000 0.899 115 L HN 0.302 nan 8.230 nan 0.000 0.433 116 D N -0.454 119.935 120.400 -0.020 0.000 2.264 116 D HA -0.209 4.431 4.640 0.000 0.000 0.208 116 D C 2.020 178.313 176.300 -0.011 0.000 0.966 116 D CA 0.932 54.923 54.000 -0.014 0.000 0.864 116 D CB 0.150 40.944 40.800 -0.010 0.000 0.933 116 D HN 0.402 nan 8.370 nan 0.000 0.499 117 Q N 0.385 120.178 119.800 -0.010 0.000 2.444 117 Q HA -0.032 4.308 4.340 0.000 0.000 0.206 117 Q C -0.215 175.782 176.000 -0.006 0.000 0.948 117 Q CA 0.273 56.072 55.803 -0.006 0.000 0.946 117 Q CB -0.001 28.735 28.738 -0.004 0.000 1.027 117 Q HN 0.217 nan 8.270 nan 0.000 0.513 118 N N -0.649 118.044 118.700 -0.012 0.000 2.882 118 N HA -0.155 4.585 4.740 0.000 0.000 0.249 118 N C -1.011 174.498 175.510 -0.002 0.000 1.079 118 N CA 0.168 53.211 53.050 -0.012 0.000 0.800 118 N CB -1.066 37.418 38.487 -0.005 0.000 1.124 118 N HN 0.250 nan 8.380 nan 0.000 0.557 119 I N 1.471 122.039 120.570 -0.003 0.000 2.496 119 I HA 0.011 4.181 4.170 0.000 0.000 0.285 119 I C 1.236 177.371 176.117 0.029 0.000 1.080 119 I CA -0.269 61.041 61.300 0.017 0.000 1.404 119 I CB 0.363 38.364 38.000 0.001 0.000 1.403 119 I HN 0.191 nan 8.210 nan 0.000 0.539 120 H N 9.494 128.546 119.070 -0.030 0.000 2.964 120 H HA 0.048 4.604 4.556 0.000 0.000 0.328 120 H C -1.604 173.699 175.328 -0.042 0.000 1.030 120 H CA -1.461 54.570 56.048 -0.029 0.000 1.445 120 H CB 1.350 31.099 29.762 -0.022 0.000 1.449 120 H HN 0.384 nan 8.280 nan 0.000 0.581 121 P HA -0.202 nan 4.420 nan 0.000 0.217 121 P C 1.400 178.783 177.300 0.138 0.000 1.148 121 P CA 1.785 64.894 63.100 0.015 0.000 0.828 121 P CB 0.141 31.796 31.700 -0.075 0.000 0.783 122 S N -1.103 114.842 115.700 0.408 0.000 2.423 122 S HA -0.094 4.376 4.470 0.000 0.000 0.231 122 S C 1.985 176.617 174.600 0.054 0.000 1.014 122 S CA 0.707 59.003 58.200 0.160 0.000 0.965 122 S CB -1.063 62.145 63.200 0.013 0.000 0.785 122 S HN -0.076 nan 8.310 nan 0.000 0.495 123 I N 1.991 122.600 120.570 0.065 0.000 2.333 123 I HA 0.048 4.218 4.170 0.000 0.000 0.246 123 I C 2.387 178.488 176.117 -0.027 0.000 1.106 123 I CA 0.688 61.992 61.300 0.006 0.000 1.411 123 I CB -1.089 36.919 38.000 0.013 0.000 1.082 123 I HN 0.331 nan 8.210 nan 0.000 0.420 124 I N 0.369 120.901 120.570 -0.063 0.000 2.226 124 I HA -0.271 3.899 4.170 0.000 0.000 0.245 124 I C 2.433 178.405 176.117 -0.240 0.000 1.100 124 I CA 1.353 62.528 61.300 -0.208 0.000 1.374 124 I CB -0.661 37.173 38.000 -0.277 0.000 1.057 124 I HN 0.162 nan 8.210 nan 0.000 0.413 125 T N 0.581 115.073 114.554 -0.104 0.000 2.746 125 T HA -0.216 4.134 4.350 0.000 0.000 0.267 125 T C 1.954 176.690 174.700 0.059 0.000 1.039 125 T CA 1.426 63.523 62.100 -0.005 0.000 1.142 125 T CB -0.157 68.729 68.868 0.030 0.000 0.866 125 T HN 0.305 nan 8.240 nan 0.000 0.444 126 K N 0.532 120.951 120.400 0.032 0.000 2.057 126 K HA -0.083 4.237 4.320 0.000 0.000 0.207 126 K C 2.509 179.146 176.600 0.060 0.000 1.049 126 K CA 1.489 57.799 56.287 0.039 0.000 0.931 126 K CB -0.576 31.931 32.500 0.011 0.000 0.714 126 K HN 0.346 nan 8.250 nan 0.000 0.440 127 G N -0.015 108.819 108.800 0.057 0.000 2.421 127 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 127 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 127 G C 1.392 176.426 174.900 0.222 0.000 1.171 127 G CA 0.856 46.015 45.100 0.098 0.000 0.775 127 G HN 0.404 nan 8.290 nan 0.000 0.543 128 Y N 0.939 121.281 120.300 0.070 0.000 2.181 128 Y HA -0.110 4.441 4.550 0.000 0.000 0.288 128 Y C 3.293 179.194 175.900 0.000 0.000 1.146 128 Y CA 0.344 58.526 58.100 0.137 0.000 1.164 128 Y CB 0.013 38.635 38.460 0.269 0.000 0.982 128 Y HN 0.312 nan 8.280 nan 0.000 0.515 129 A N 0.342 123.277 122.820 0.190 0.000 1.902 129 A HA -0.189 4.131 4.320 0.000 0.000 0.217 129 A C 2.153 179.744 177.584 0.013 0.000 1.181 129 A CA 1.434 53.525 52.037 0.090 0.000 0.623 129 A CB -1.034 18.017 19.000 0.083 0.000 0.818 129 A HN 0.463 nan 8.150 nan 0.000 0.443 130 L N -0.862 120.380 121.223 0.031 0.000 2.046 130 L HA -0.187 4.153 4.340 0.000 0.000 0.208 130 L C 3.094 179.969 176.870 0.008 0.000 1.077 130 L CA 1.093 55.971 54.840 0.065 0.000 0.747 130 L CB -0.519 41.613 42.059 0.121 0.000 0.896 130 L HN 0.436 nan 8.230 nan 0.000 0.432 131 A N -0.109 122.604 122.820 -0.179 0.000 1.898 131 A HA -0.126 4.194 4.320 0.000 0.000 0.216 131 A C 2.518 179.658 177.584 -0.740 0.000 1.181 131 A CA 1.633 53.352 52.037 -0.529 0.000 0.620 131 A CB -0.672 17.685 19.000 -1.072 0.000 0.819 131 A HN 0.390 nan 8.150 nan 0.000 0.442 132 A N -0.064 122.356 122.820 -0.668 0.000 1.898 132 A HA -0.155 4.166 4.320 0.000 0.000 0.216 132 A C 1.910 179.417 177.584 -0.129 0.000 1.181 132 A CA 1.601 53.485 52.037 -0.256 0.000 0.620 132 A CB -0.536 18.481 19.000 0.028 0.000 0.819 132 A HN 0.625 nan 8.150 nan 0.000 0.442 133 E N -0.590 119.542 120.200 -0.113 0.000 2.110 133 E HA -0.218 4.132 4.350 0.000 0.000 0.193 133 E C 2.052 178.569 176.600 -0.138 0.000 0.988 133 E CA 1.408 57.758 56.400 -0.084 0.000 0.804 133 E CB -0.097 29.572 29.700 -0.051 0.000 0.745 133 E HN 0.497 nan 8.360 nan 0.000 0.458 134 K N 1.294 121.561 120.400 -0.221 0.000 2.097 134 K HA -0.065 4.255 4.320 0.000 0.000 0.205 134 K C 1.856 178.317 176.600 -0.231 0.000 1.050 134 K CA 1.271 57.350 56.287 -0.346 0.000 0.938 134 K CB -0.317 31.786 32.500 -0.662 0.000 0.718 134 K HN 0.092 nan 8.250 nan 0.000 0.442 135 A N 0.522 123.237 122.820 -0.174 0.000 1.972 135 A HA -0.179 4.141 4.320 0.000 0.000 0.219 135 A C 1.994 179.548 177.584 -0.050 0.000 1.169 135 A CA 1.443 53.433 52.037 -0.079 0.000 0.635 135 A CB -0.484 18.514 19.000 -0.003 0.000 0.810 135 A HN 0.359 nan 8.150 nan 0.000 0.446 136 Q N -0.105 119.663 119.800 -0.054 0.000 2.079 136 Q HA -0.154 4.187 4.340 0.000 0.000 0.200 136 Q C 1.874 177.847 176.000 -0.045 0.000 0.974 136 Q CA 1.680 57.463 55.803 -0.033 0.000 0.840 136 Q CB -0.450 28.273 28.738 -0.026 0.000 0.898 136 Q HN 0.827 nan 8.270 nan 0.000 0.430 137 E N 0.390 120.546 120.200 -0.073 0.000 2.085 137 E HA -0.147 4.203 4.350 0.000 0.000 0.194 137 E C 2.133 178.696 176.600 -0.062 0.000 0.994 137 E CA 0.882 57.238 56.400 -0.074 0.000 0.801 137 E CB -0.153 29.480 29.700 -0.111 0.000 0.743 137 E HN 0.317 nan 8.360 nan 0.000 0.453 138 I N 0.958 121.484 120.570 -0.073 0.000 2.179 138 I HA -0.282 3.888 4.170 0.000 0.000 0.242 138 I C 2.392 178.496 176.117 -0.021 0.000 1.088 138 I CA 0.979 62.250 61.300 -0.048 0.000 1.357 138 I CB -0.251 37.720 38.000 -0.050 0.000 1.051 138 I HN 0.115 nan 8.210 nan 0.000 0.409 139 L N 0.332 121.545 121.223 -0.016 0.000 2.017 139 L HA -0.254 4.087 4.340 0.000 0.000 0.208 139 L C 2.191 179.059 176.870 -0.002 0.000 1.073 139 L CA 1.366 56.205 54.840 -0.002 0.000 0.745 139 L CB -0.720 41.340 42.059 0.002 0.000 0.894 139 L HN 0.251 nan 8.230 nan 0.000 0.432 140 D N -0.428 119.966 120.400 -0.009 0.000 2.149 140 D HA -0.223 4.417 4.640 0.000 0.000 0.198 140 D C 2.043 178.340 176.300 -0.006 0.000 0.990 140 D CA 1.159 55.154 54.000 -0.007 0.000 0.839 140 D CB 0.014 40.807 40.800 -0.012 0.000 0.948 140 D HN 0.416 nan 8.370 nan 0.000 0.460 141 E N 0.437 120.631 120.200 -0.010 0.000 2.051 141 E HA -0.092 4.258 4.350 0.000 0.000 0.189 141 E C 2.265 178.866 176.600 0.000 0.000 0.979 141 E CA 0.480 56.876 56.400 -0.007 0.000 0.803 141 E CB 0.022 29.714 29.700 -0.014 0.000 0.761 141 E HN 0.401 nan 8.360 nan 0.000 0.451 142 I N -1.083 119.490 120.570 0.005 0.000 3.111 142 I HA 0.194 4.365 4.170 0.000 0.000 0.272 142 I C 0.962 177.087 176.117 0.014 0.000 1.268 142 I CA -0.038 61.270 61.300 0.013 0.000 1.467 142 I CB -0.314 37.701 38.000 0.025 0.000 1.087 142 I HN -0.101 nan 8.210 nan 0.000 0.467 143 A N 2.415 125.242 122.820 0.011 0.000 2.540 143 A HA 0.331 4.652 4.320 0.000 0.000 0.239 143 A C 0.135 177.725 177.584 0.011 0.000 1.061 143 A CA 0.049 52.093 52.037 0.012 0.000 0.758 143 A CB -0.259 18.747 19.000 0.010 0.000 0.991 143 A HN 0.451 nan 8.150 nan 0.000 0.502 144 I N 3.926 124.503 120.570 0.012 0.000 2.337 144 I HA 0.180 4.350 4.170 0.000 0.000 0.291 144 I C 0.399 176.523 176.117 0.012 0.000 1.046 144 I CA -0.457 60.849 61.300 0.011 0.000 1.324 144 I CB 0.519 38.525 38.000 0.010 0.000 1.409 144 I HN 0.587 nan 8.210 nan 0.000 0.494 145 R N 5.303 125.810 120.500 0.012 0.000 2.441 145 R HA 0.614 4.954 4.340 0.000 0.000 0.284 145 R C -0.451 175.858 176.300 0.016 0.000 1.070 145 R CA -0.436 55.672 56.100 0.014 0.000 1.047 145 R CB 1.818 32.126 30.300 0.013 0.000 1.016 145 R HN 0.452 nan 8.270 nan 0.000 0.477 146 V N 1.120 121.046 119.914 0.020 0.000 3.202 146 V HA 0.213 4.333 4.120 0.000 0.000 0.306 146 V C -1.273 174.839 176.094 0.030 0.000 1.283 146 V CA -0.937 61.376 62.300 0.021 0.000 1.065 146 V CB 2.907 34.740 31.823 0.016 0.000 1.079 146 V HN 0.713 nan 8.190 nan 0.000 0.448 147 D N 4.005 124.424 120.400 0.032 0.000 2.358 147 D HA 0.285 4.925 4.640 0.000 0.000 0.258 147 D C -1.851 174.479 176.300 0.051 0.000 1.223 147 D CA -0.840 53.189 54.000 0.049 0.000 0.886 147 D CB 1.572 42.399 40.800 0.045 0.000 1.120 147 D HN 0.347 nan 8.370 nan 0.000 0.482 148 P HA -0.173 nan 4.420 nan 0.000 0.218 148 P C 0.123 177.394 177.300 -0.049 0.000 1.146 148 P CA 1.174 64.318 63.100 0.074 0.000 0.820 148 P CB 0.154 31.997 31.700 0.239 0.000 0.778 149 D N -3.237 117.148 120.400 -0.026 0.000 2.440 149 D HA 0.045 4.685 4.640 0.000 0.000 0.216 149 D C -0.189 176.082 176.300 -0.049 0.000 1.150 149 D CA -0.422 53.501 54.000 -0.128 0.000 0.832 149 D CB -0.891 39.829 40.800 -0.134 0.000 0.992 149 D HN -0.014 nan 8.370 nan 0.000 0.502 150 D N 1.282 121.673 120.400 -0.015 0.000 2.451 150 D HA -0.062 4.578 4.640 0.000 0.000 0.254 150 D C 1.137 177.426 176.300 -0.018 0.000 1.204 150 D CA 0.299 54.296 54.000 -0.005 0.000 0.896 150 D CB 0.827 41.629 40.800 0.004 0.000 1.136 150 D HN 0.187 nan 8.370 nan 0.000 0.499 151 E N 2.918 123.108 120.200 -0.015 0.000 2.077 151 E HA -0.237 4.113 4.350 0.000 0.000 0.193 151 E C 1.354 177.949 176.600 -0.009 0.000 0.989 151 E CA 0.818 57.208 56.400 -0.017 0.000 0.800 151 E CB 0.200 29.894 29.700 -0.011 0.000 0.746 151 E HN 0.724 nan 8.360 nan 0.000 0.452 152 E N -0.394 119.804 120.200 -0.004 0.000 2.051 152 E HA -0.194 4.156 4.350 0.000 0.000 0.192 152 E C 2.112 178.712 176.600 0.000 0.000 0.991 152 E CA 1.996 58.396 56.400 -0.000 0.000 0.799 152 E CB -0.035 29.666 29.700 0.002 0.000 0.748 152 E HN 0.380 nan 8.360 nan 0.000 0.449 153 T N -0.461 114.093 114.554 -0.001 0.000 2.777 153 T HA -0.157 4.193 4.350 0.000 0.000 0.266 153 T C 1.941 176.640 174.700 -0.002 0.000 1.040 153 T CA 0.828 62.928 62.100 0.001 0.000 1.141 153 T CB -0.332 68.537 68.868 0.002 0.000 0.868 153 T HN 0.017 nan 8.240 nan 0.000 0.444 154 L N 0.527 121.743 121.223 -0.010 0.000 2.013 154 L HA 0.036 4.377 4.340 0.000 0.000 0.212 154 L C 2.555 179.421 176.870 -0.005 0.000 1.073 154 L CA 1.303 56.133 54.840 -0.015 0.000 0.753 154 L CB -1.413 40.627 42.059 -0.032 0.000 0.890 154 L HN 0.248 nan 8.230 nan 0.000 0.432 155 L N -0.746 120.475 121.223 -0.003 0.000 2.042 155 L HA -0.224 4.116 4.340 0.000 0.000 0.210 155 L C 2.455 179.331 176.870 0.009 0.000 1.076 155 L CA 1.655 56.498 54.840 0.004 0.000 0.749 155 L CB -0.870 41.192 42.059 0.004 0.000 0.893 155 L HN 0.261 nan 8.230 nan 0.000 0.432 156 K N -1.001 119.404 120.400 0.008 0.000 2.057 156 K HA -0.135 4.185 4.320 0.000 0.000 0.207 156 K C 2.021 178.630 176.600 0.015 0.000 1.049 156 K CA 0.940 57.234 56.287 0.012 0.000 0.931 156 K CB -0.128 32.379 32.500 0.012 0.000 0.714 156 K HN 0.137 nan 8.250 nan 0.000 0.440 157 I N 1.280 121.857 120.570 0.011 0.000 2.127 157 I HA -0.263 3.907 4.170 0.000 0.000 0.241 157 I C 2.486 178.612 176.117 0.015 0.000 1.075 157 I CA 1.493 62.801 61.300 0.012 0.000 1.334 157 I CB -1.330 36.674 38.000 0.007 0.000 1.040 157 I HN 0.134 nan 8.210 nan 0.000 0.405 158 A N 0.727 123.556 122.820 0.015 0.000 1.877 158 A HA -0.127 4.193 4.320 0.000 0.000 0.216 158 A C 2.567 180.165 177.584 0.023 0.000 1.186 158 A CA 2.099 54.148 52.037 0.020 0.000 0.620 158 A CB -0.840 18.172 19.000 0.021 0.000 0.822 158 A HN 0.433 nan 8.150 nan 0.000 0.443 159 A N -1.103 121.731 122.820 0.023 0.000 1.902 159 A HA -0.096 4.225 4.320 0.000 0.000 0.217 159 A C 2.299 179.902 177.584 0.032 0.000 1.181 159 A CA 2.310 54.363 52.037 0.026 0.000 0.623 159 A CB -1.346 17.668 19.000 0.022 0.000 0.818 159 A HN 0.422 nan 8.150 nan 0.000 0.443 160 T N -0.435 114.138 114.554 0.032 0.000 2.759 160 T HA -0.155 4.196 4.350 0.000 0.000 0.269 160 T C 2.261 176.981 174.700 0.033 0.000 1.042 160 T CA 1.785 63.907 62.100 0.038 0.000 1.140 160 T CB -0.323 68.564 68.868 0.032 0.000 0.864 160 T HN 0.574 nan 8.240 nan 0.000 0.455 161 S N 0.633 116.348 115.700 0.026 0.000 2.368 161 S HA 0.031 4.501 4.470 0.000 0.000 0.225 161 S C 1.077 175.690 174.600 0.021 0.000 1.030 161 S CA 0.610 58.822 58.200 0.020 0.000 0.999 161 S CB -0.415 62.795 63.200 0.017 0.000 0.844 161 S HN 0.498 nan 8.310 nan 0.000 0.459 162 I N 3.113 123.699 120.570 0.026 0.000 2.293 162 I HA 0.199 4.369 4.170 0.000 0.000 0.280 162 I C -0.328 175.813 176.117 0.039 0.000 1.075 162 I CA -0.221 61.096 61.300 0.028 0.000 1.702 162 I CB -0.487 37.530 38.000 0.030 0.000 1.477 162 I HN 0.274 nan 8.210 nan 0.000 0.733 163 T N -1.450 113.130 114.554 0.044 0.000 2.993 163 T HA 0.608 4.959 4.350 0.000 0.000 0.312 163 T C 0.434 175.166 174.700 0.055 0.000 1.115 163 T CA -0.233 61.908 62.100 0.069 0.000 1.027 163 T CB 1.961 70.890 68.868 0.102 0.000 1.116 163 T HN 0.516 nan 8.240 nan 0.000 0.464 164 G N 1.845 110.684 108.800 0.065 0.000 2.149 164 G HA2 -0.162 3.798 3.960 0.000 0.000 0.235 164 G HA3 -0.162 3.798 3.960 0.000 0.000 0.235 164 G C -0.312 174.601 174.900 0.023 0.000 1.018 164 G CA 0.210 45.331 45.100 0.036 0.000 0.728 164 G HN 0.943 nan 8.290 nan 0.000 0.508 165 K N -0.856 119.561 120.400 0.029 0.000 2.477 165 K HA 0.425 4.745 4.320 0.000 0.000 0.255 165 K C 0.404 177.020 176.600 0.027 0.000 0.952 165 K CA -0.598 55.701 56.287 0.020 0.000 0.826 165 K CB 1.020 33.528 32.500 0.014 0.000 1.331 165 K HN 0.114 nan 8.250 nan 0.000 0.437 166 N N 0.094 118.809 118.700 0.026 0.000 2.535 166 N HA -0.010 4.731 4.740 0.000 0.000 0.203 166 N C 0.238 175.780 175.510 0.053 0.000 1.301 166 N CA 0.156 53.226 53.050 0.033 0.000 0.859 166 N CB 0.325 38.830 38.487 0.029 0.000 1.055 166 N HN 0.556 nan 8.380 nan 0.000 0.457 167 A N -0.089 122.764 122.820 0.056 0.000 2.609 167 A HA 0.099 4.419 4.320 0.000 0.000 0.286 167 A C 1.391 179.026 177.584 0.085 0.000 1.138 167 A CA -0.463 51.635 52.037 0.103 0.000 0.960 167 A CB -0.135 18.915 19.000 0.084 0.000 1.208 167 A HN 0.481 nan 8.150 nan 0.000 0.541 168 E N 0.597 120.820 120.200 0.037 0.000 2.204 168 E HA -0.163 4.187 4.350 0.000 0.000 0.194 168 E C 1.640 178.216 176.600 -0.041 0.000 0.989 168 E CA 1.459 57.869 56.400 0.016 0.000 0.824 168 E CB -0.495 29.223 29.700 0.029 0.000 0.756 168 E HN 0.529 nan 8.360 nan 0.000 0.477 169 S N 0.807 116.435 115.700 -0.119 0.000 2.440 169 S HA -0.178 4.292 4.470 0.000 0.000 0.238 169 S C 0.966 175.336 174.600 -0.384 0.000 1.010 169 S CA 1.283 59.316 58.200 -0.277 0.000 0.972 169 S CB -0.536 62.429 63.200 -0.391 0.000 0.774 169 S HN 0.493 nan 8.310 nan 0.000 0.501 170 H N 1.187 120.258 119.070 0.001 0.000 2.469 170 H HA 0.322 4.878 4.556 0.000 0.000 0.286 170 H C 1.559 176.890 175.328 0.005 0.000 1.106 170 H CA -0.101 55.949 56.048 0.003 0.000 1.055 170 H CB 0.241 30.007 29.762 0.006 0.000 1.618 170 H HN 0.598 nan 8.280 nan 0.000 0.559 171 K N 0.830 121.266 120.400 0.060 0.000 2.103 171 K HA -0.232 4.088 4.320 0.000 0.000 0.207 171 K C 1.777 178.404 176.600 0.046 0.000 1.048 171 K CA 1.890 58.206 56.287 0.049 0.000 0.930 171 K CB 0.177 32.692 32.500 0.025 0.000 0.716 171 K HN 0.402 nan 8.250 nan 0.000 0.444 172 E N 0.967 121.189 120.200 0.037 0.000 2.051 172 E HA -0.212 4.138 4.350 0.000 0.000 0.192 172 E C 2.069 178.696 176.600 0.044 0.000 0.991 172 E CA 1.024 57.443 56.400 0.032 0.000 0.799 172 E CB -0.075 29.638 29.700 0.020 0.000 0.748 172 E HN 0.354 nan 8.360 nan 0.000 0.449 173 L N 0.907 122.170 121.223 0.067 0.000 2.005 173 L HA -0.132 4.208 4.340 0.000 0.000 0.207 173 L C 2.203 179.107 176.870 0.056 0.000 1.072 173 L CA 1.662 56.540 54.840 0.063 0.000 0.744 173 L CB -0.603 41.503 42.059 0.078 0.000 0.895 173 L HN 0.245 nan 8.230 nan 0.000 0.433 174 L N -0.222 121.041 121.223 0.067 0.000 2.042 174 L HA -0.204 4.136 4.340 0.000 0.000 0.210 174 L C 2.725 179.626 176.870 0.052 0.000 1.076 174 L CA 1.264 56.139 54.840 0.058 0.000 0.749 174 L CB -1.096 40.998 42.059 0.059 0.000 0.893 174 L HN 0.443 nan 8.230 nan 0.000 0.432 175 A N 0.356 123.203 122.820 0.045 0.000 1.877 175 A HA -0.263 4.057 4.320 0.000 0.000 0.216 175 A C 2.394 179.997 177.584 0.032 0.000 1.186 175 A CA 2.041 54.099 52.037 0.036 0.000 0.620 175 A CB -0.468 18.549 19.000 0.028 0.000 0.822 175 A HN 0.359 nan 8.150 nan 0.000 0.443 176 K N -0.105 120.314 120.400 0.031 0.000 2.063 176 K HA -0.102 4.218 4.320 0.000 0.000 0.208 176 K C 1.822 178.439 176.600 0.028 0.000 1.048 176 K CA 1.584 57.886 56.287 0.025 0.000 0.928 176 K CB -0.363 32.152 32.500 0.025 0.000 0.713 176 K HN 0.486 nan 8.250 nan 0.000 0.442 177 L N 0.223 121.470 121.223 0.039 0.000 2.056 177 L HA -0.107 4.233 4.340 0.000 0.000 0.207 177 L C 2.704 179.604 176.870 0.050 0.000 1.078 177 L CA 1.165 56.032 54.840 0.046 0.000 0.749 177 L CB -0.724 41.373 42.059 0.063 0.000 0.901 177 L HN 0.297 nan 8.230 nan 0.000 0.433 178 A N -0.053 122.805 122.820 0.063 0.000 1.902 178 A HA -0.135 4.185 4.320 0.000 0.000 0.217 178 A C 2.344 179.946 177.584 0.030 0.000 1.181 178 A CA 1.757 53.836 52.037 0.070 0.000 0.623 178 A CB -0.799 18.247 19.000 0.077 0.000 0.818 178 A HN 0.192 nan 8.150 nan 0.000 0.443 179 V N -0.055 119.869 119.914 0.016 0.000 2.427 179 V HA -0.230 3.891 4.120 0.000 0.000 0.248 179 V C 2.397 178.481 176.094 -0.017 0.000 1.051 179 V CA 2.150 64.447 62.300 -0.007 0.000 1.048 179 V CB -0.750 31.068 31.823 -0.008 0.000 0.666 179 V HN 0.616 nan 8.190 nan 0.000 0.456 180 E N 0.183 120.380 120.200 -0.006 0.000 2.047 180 E HA -0.175 4.175 4.350 0.000 0.000 0.191 180 E C 2.374 178.963 176.600 -0.019 0.000 0.987 180 E CA 1.245 57.639 56.400 -0.010 0.000 0.799 180 E CB -0.306 29.394 29.700 0.001 0.000 0.752 180 E HN 0.585 nan 8.360 nan 0.000 0.449 181 A N 0.920 123.730 122.820 -0.017 0.000 1.865 181 A HA -0.188 4.132 4.320 0.000 0.000 0.217 181 A C 2.507 180.064 177.584 -0.044 0.000 1.191 181 A CA 1.532 53.547 52.037 -0.037 0.000 0.623 181 A CB -0.866 18.106 19.000 -0.046 0.000 0.826 181 A HN 0.130 nan 8.150 nan 0.000 0.444 182 V N 0.124 120.016 119.914 -0.037 0.000 2.295 182 V HA -0.286 3.834 4.120 0.000 0.000 0.246 182 V C 2.474 178.528 176.094 -0.066 0.000 1.049 182 V CA 2.446 64.719 62.300 -0.046 0.000 1.024 182 V CB -0.723 31.076 31.823 -0.040 0.000 0.648 182 V HN 0.563 nan 8.190 nan 0.000 0.447 183 K N -0.308 120.045 120.400 -0.079 0.000 2.097 183 K HA -0.256 4.064 4.320 0.000 0.000 0.206 183 K C 2.253 178.824 176.600 -0.049 0.000 1.049 183 K CA 1.593 57.817 56.287 -0.105 0.000 0.933 183 K CB -0.197 32.245 32.500 -0.098 0.000 0.717 183 K HN 0.347 nan 8.250 nan 0.000 0.442 184 Q N 1.027 120.808 119.800 -0.031 0.000 2.119 184 Q HA -0.113 4.227 4.340 0.000 0.000 0.201 184 Q C 1.777 177.773 176.000 -0.006 0.000 0.972 184 Q CA 1.525 57.321 55.803 -0.013 0.000 0.847 184 Q CB 0.103 28.832 28.738 -0.016 0.000 0.903 184 Q HN 0.277 nan 8.270 nan 0.000 0.433 185 V N -2.300 117.603 119.914 -0.018 0.000 3.649 185 V HA 0.525 4.645 4.120 0.000 0.000 0.275 185 V C 0.786 176.887 176.094 0.012 0.000 1.281 185 V CA 0.157 62.450 62.300 -0.012 0.000 1.143 185 V CB -0.920 30.882 31.823 -0.035 0.000 0.892 185 V HN 0.285 nan 8.190 nan 0.000 0.441 186 A N 1.268 124.100 122.820 0.020 0.000 2.511 186 A HA 0.384 4.704 4.320 0.000 0.000 0.242 186 A C 0.315 177.989 177.584 0.150 0.000 1.069 186 A CA 0.096 52.178 52.037 0.075 0.000 0.763 186 A CB -0.019 18.989 19.000 0.015 0.000 1.001 186 A HN 0.533 nan 8.150 nan 0.000 0.498 187 E N 1.483 121.777 120.200 0.157 0.000 2.113 187 E HA 0.195 4.545 4.350 0.000 0.000 0.273 187 E C -0.686 175.971 176.600 0.096 0.000 0.924 187 E CA -0.442 56.022 56.400 0.108 0.000 0.764 187 E CB 1.610 31.341 29.700 0.052 0.000 1.104 187 E HN 0.588 nan 8.360 nan 0.000 0.406 188 K N 4.275 124.677 120.400 0.003 0.000 2.250 188 K HA 0.090 4.410 4.320 0.000 0.000 0.280 188 K C 1.287 177.794 176.600 -0.154 0.000 1.098 188 K CA -0.186 55.953 56.287 -0.246 0.000 0.916 188 K CB 0.393 32.660 32.500 -0.389 0.000 1.209 188 K HN 0.360 nan 8.250 nan 0.000 0.461 189 K N 2.773 123.095 120.400 -0.130 0.000 2.002 189 K HA -0.167 4.153 4.320 0.000 0.000 0.209 189 K C 0.166 176.711 176.600 -0.092 0.000 1.048 189 K CA 1.848 58.086 56.287 -0.082 0.000 0.930 189 K CB 0.022 32.488 32.500 -0.056 0.000 0.714 189 K HN 0.621 nan 8.250 nan 0.000 0.438 190 D N -2.195 118.132 120.400 -0.121 0.000 2.712 190 D HA 0.056 4.696 4.640 0.000 0.000 0.181 190 D C 1.481 177.701 176.300 -0.134 0.000 1.434 190 D CA 0.493 54.431 54.000 -0.103 0.000 1.446 190 D CB -0.398 40.362 40.800 -0.067 0.000 1.609 190 D HN 0.288 nan 8.370 nan 0.000 0.340 191 G N -0.806 107.914 108.800 -0.134 0.000 3.581 191 G HA2 0.226 4.186 3.960 0.000 0.000 0.248 191 G HA3 0.226 4.186 3.960 0.000 0.000 0.248 191 G C -0.095 174.715 174.900 -0.149 0.000 1.037 191 G CA -0.299 44.721 45.100 -0.133 0.000 0.902 191 G HN -0.015 nan 8.290 nan 0.000 0.512 192 K N 0.725 121.026 120.400 -0.165 0.000 2.324 192 K HA 0.489 4.809 4.320 0.000 0.000 0.253 192 K C -1.528 174.981 176.600 -0.151 0.000 0.932 192 K CA -0.874 55.354 56.287 -0.099 0.000 0.799 192 K CB 1.947 34.430 32.500 -0.029 0.000 1.154 192 K HN 0.126 nan 8.250 nan 0.000 0.425 193 Y N 0.132 120.433 120.300 0.002 0.000 2.335 193 Y HA 0.383 4.933 4.550 0.000 0.000 0.323 193 Y C 0.475 176.376 175.900 0.001 0.000 1.224 193 Y CA -0.578 57.523 58.100 0.001 0.000 1.241 193 Y CB 1.456 39.917 38.460 0.002 0.000 1.235 193 Y HN 0.104 nan 8.280 nan 0.000 0.492 194 V N 3.170 123.191 119.914 0.178 0.000 2.638 194 V HA 0.493 4.613 4.120 0.000 0.000 0.306 194 V C -1.036 175.113 176.094 0.091 0.000 1.052 194 V CA -0.924 61.435 62.300 0.098 0.000 0.885 194 V CB 1.893 33.748 31.823 0.053 0.000 0.999 194 V HN 0.456 nan 8.190 nan 0.000 0.424 195 V N 2.870 122.820 119.914 0.059 0.000 2.483 195 V HA 0.455 4.575 4.120 0.000 0.000 0.297 195 V C -0.860 175.246 176.094 0.020 0.000 1.027 195 V CA -0.474 61.848 62.300 0.036 0.000 0.855 195 V CB 2.001 33.837 31.823 0.021 0.000 0.995 195 V HN 0.914 nan 8.190 nan 0.000 0.424 196 D N 4.164 124.569 120.400 0.010 0.000 2.412 196 D HA 0.332 4.972 4.640 0.000 0.000 0.224 196 D C 0.938 177.231 176.300 -0.013 0.000 1.093 196 D CA -0.251 53.750 54.000 0.001 0.000 0.850 196 D CB 1.485 42.283 40.800 -0.003 0.000 1.046 196 D HN 0.444 nan 8.370 nan 0.000 0.507 197 L N 2.376 123.595 121.223 -0.007 0.000 2.456 197 L HA -0.074 4.266 4.340 0.000 0.000 0.224 197 L C 1.163 178.009 176.870 -0.040 0.000 1.148 197 L CA 0.516 55.345 54.840 -0.018 0.000 0.825 197 L CB -0.017 42.052 42.059 0.016 0.000 0.937 197 L HN 0.308 nan 8.230 nan 0.000 0.450 198 D N 0.080 120.462 120.400 -0.030 0.000 2.371 198 D HA -0.096 4.544 4.640 0.000 0.000 0.221 198 D C 1.405 177.664 176.300 -0.067 0.000 0.986 198 D CA 0.649 54.625 54.000 -0.040 0.000 0.899 198 D CB -0.045 40.740 40.800 -0.025 0.000 0.902 198 D HN 0.338 nan 8.370 nan 0.000 0.530 199 N N 0.076 118.733 118.700 -0.072 0.000 2.336 199 N HA 0.087 4.827 4.740 0.000 0.000 0.189 199 N C 0.213 175.644 175.510 -0.130 0.000 1.113 199 N CA 0.096 53.095 53.050 -0.085 0.000 0.858 199 N CB 1.237 39.689 38.487 -0.059 0.000 0.970 199 N HN 0.254 nan 8.380 nan 0.000 0.471 200 I N 1.158 121.619 120.570 -0.181 0.000 2.354 200 I HA 0.172 4.342 4.170 0.000 0.000 0.286 200 I C 0.195 176.036 176.117 -0.459 0.000 1.007 200 I CA -0.630 60.485 61.300 -0.308 0.000 1.167 200 I CB 1.454 39.247 38.000 -0.345 0.000 1.320 200 I HN -0.252 nan 8.210 nan 0.000 0.458 201 K N 6.527 126.684 120.400 -0.406 0.000 2.143 201 K HA 0.526 4.846 4.320 0.000 0.000 0.272 201 K C -1.412 174.902 176.600 -0.478 0.000 1.001 201 K CA -0.335 55.736 56.287 -0.361 0.000 0.915 201 K CB 1.012 33.392 32.500 -0.199 0.000 1.047 201 K HN 0.336 nan 8.250 nan 0.000 0.458 202 F N 2.438 122.363 119.950 -0.043 0.000 2.426 202 F HA 0.232 4.759 4.527 0.000 0.000 0.348 202 F C -0.066 175.704 175.800 -0.049 0.000 1.124 202 F CA -0.845 57.132 58.000 -0.040 0.000 1.008 202 F CB 1.849 40.832 39.000 -0.029 0.000 1.139 202 F HN 0.514 nan 8.300 nan 0.000 0.452 203 E N 4.042 124.312 120.200 0.118 0.000 2.176 203 E HA 0.409 4.759 4.350 0.000 0.000 0.267 203 E C -1.447 175.178 176.600 0.041 0.000 0.893 203 E CA -0.758 55.661 56.400 0.031 0.000 0.761 203 E CB 1.145 30.813 29.700 -0.053 0.000 1.133 203 E HN 0.437 nan 8.360 nan 0.000 0.409 204 K N 3.582 123.997 120.400 0.024 0.000 2.221 204 K HA 0.566 4.886 4.320 0.000 0.000 0.258 204 K C -0.820 175.783 176.600 0.005 0.000 0.944 204 K CA -1.128 55.167 56.287 0.013 0.000 0.823 204 K CB 1.521 34.021 32.500 -0.001 0.000 1.113 204 K HN 0.137 nan 8.250 nan 0.000 0.431 205 K N 1.766 122.172 120.400 0.010 0.000 2.652 205 K HA 0.322 4.642 4.320 0.000 0.000 0.249 205 K C -0.975 175.632 176.600 0.012 0.000 0.986 205 K CA -0.540 55.755 56.287 0.014 0.000 0.867 205 K CB 1.987 34.506 32.500 0.032 0.000 1.201 205 K HN 0.841 nan 8.250 nan 0.000 0.450 206 A N 1.333 124.156 122.820 0.004 0.000 2.483 206 A HA 0.618 4.938 4.320 0.000 0.000 0.238 206 A C 0.614 178.205 177.584 0.011 0.000 1.070 206 A CA 1.173 53.212 52.037 0.004 0.000 0.770 206 A CB 0.009 19.009 19.000 0.000 0.000 1.008 206 A HN 0.880 nan 8.150 nan 0.000 0.497 207 G N 0.708 109.514 108.800 0.010 0.000 2.402 207 G HA2 0.464 4.424 3.960 0.000 0.000 0.666 207 G HA3 0.464 4.424 3.960 0.000 0.000 0.666 207 G C -0.547 174.358 174.900 0.008 0.000 1.402 207 G CA -0.115 44.992 45.100 0.012 0.000 0.920 207 G HN 1.531 nan 8.290 nan 0.000 0.651 208 E N -1.835 118.369 120.200 0.007 0.000 4.986 208 E HA -0.063 4.287 4.350 0.000 0.000 0.189 208 E C 0.728 177.324 176.600 -0.006 0.000 1.463 208 E CA 1.504 57.905 56.400 0.001 0.000 2.419 208 E CB -1.287 28.412 29.700 -0.001 0.000 2.049 208 E HN 2.046 nan 8.360 nan 0.000 0.476 209 G N -1.400 107.386 108.800 -0.023 0.000 2.816 209 G HA2 0.495 4.456 3.960 0.000 0.000 0.288 209 G HA3 0.495 4.456 3.960 0.000 0.000 0.288 209 G C 0.801 175.634 174.900 -0.111 0.000 1.334 209 G CA -0.111 44.963 45.100 -0.043 0.000 0.978 209 G HN 0.269 nan 8.290 nan 0.000 0.493 210 V N 0.353 120.154 119.914 -0.188 0.000 2.469 210 V HA -0.140 3.980 4.120 0.000 0.000 0.251 210 V C 2.703 178.540 176.094 -0.429 0.000 1.064 210 V CA 1.987 64.105 62.300 -0.303 0.000 1.066 210 V CB -0.364 31.256 31.823 -0.340 0.000 0.667 210 V HN 0.678 nan 8.190 nan 0.000 0.461 211 E N 0.259 120.133 120.200 -0.543 0.000 2.171 211 E HA -0.245 4.106 4.350 0.000 0.000 0.197 211 E C 2.027 178.554 176.600 -0.121 0.000 0.997 211 E CA 1.281 57.499 56.400 -0.304 0.000 0.810 211 E CB -0.124 29.517 29.700 -0.098 0.000 0.738 211 E HN 0.655 nan 8.360 nan 0.000 0.467 212 E N 0.389 120.533 120.200 -0.092 0.000 2.511 212 E HA 0.038 4.388 4.350 0.000 0.000 0.196 212 E C 0.154 176.743 176.600 -0.018 0.000 1.066 212 E CA -0.056 56.323 56.400 -0.036 0.000 0.871 212 E CB 0.166 29.855 29.700 -0.019 0.000 0.863 212 E HN -0.061 nan 8.360 nan 0.000 0.520 213 S N 1.346 117.024 115.700 -0.037 0.000 2.579 213 S HA 0.172 4.642 4.470 0.000 0.000 0.275 213 S C 0.271 174.884 174.600 0.021 0.000 1.345 213 S CA -0.161 58.039 58.200 -0.001 0.000 1.031 213 S CB 0.448 63.641 63.200 -0.012 0.000 0.892 213 S HN 0.300 nan 8.310 nan 0.000 0.529 214 E N 0.494 120.722 120.200 0.047 0.000 2.445 214 E HA 0.600 4.950 4.350 0.000 0.000 0.279 214 E C -1.716 174.919 176.600 0.057 0.000 1.018 214 E CA -1.044 55.387 56.400 0.051 0.000 0.816 214 E CB 0.795 30.530 29.700 0.058 0.000 1.356 214 E HN 0.316 nan 8.360 nan 0.000 0.462 215 L N 1.401 122.652 121.223 0.047 0.000 2.296 215 L HA 0.471 4.811 4.340 0.000 0.000 0.286 215 L C -1.447 175.445 176.870 0.037 0.000 1.023 215 L CA -0.687 54.172 54.840 0.033 0.000 0.812 215 L CB 1.679 43.751 42.059 0.023 0.000 1.223 215 L HN 0.514 nan 8.230 nan 0.000 0.421 216 V N 6.166 126.097 119.914 0.028 0.000 2.347 216 V HA 0.440 4.560 4.120 0.000 0.000 0.280 216 V C 0.478 176.577 176.094 0.009 0.000 1.021 216 V CA -0.625 61.701 62.300 0.043 0.000 0.847 216 V CB 1.213 33.071 31.823 0.059 0.000 0.990 216 V HN 0.633 nan 8.190 nan 0.000 0.444 217 R N 4.231 124.742 120.500 0.018 0.000 3.710 217 R HA 0.505 4.845 4.340 0.000 0.000 0.201 217 R C 0.737 177.037 176.300 0.000 0.000 1.641 217 R CA 0.314 56.417 56.100 0.005 0.000 1.390 217 R CB 0.105 30.416 30.300 0.018 0.000 1.341 217 R HN 0.968 nan 8.270 nan 0.000 0.728 218 G N -0.472 108.314 108.800 -0.023 0.000 2.552 218 G HA2 0.178 4.138 3.960 0.000 0.000 0.137 218 G HA3 0.178 4.138 3.960 0.000 0.000 0.137 218 G C -1.512 173.340 174.900 -0.081 0.000 1.135 218 G CA -0.545 44.530 45.100 -0.041 0.000 1.047 218 G HN 0.100 nan 8.290 nan 0.000 0.501 219 V N -0.029 119.822 119.914 -0.104 0.000 2.841 219 V HA 0.709 4.829 4.120 0.000 0.000 0.310 219 V C -0.509 175.465 176.094 -0.200 0.000 1.090 219 V CA -0.755 61.451 62.300 -0.158 0.000 0.930 219 V CB 1.778 33.481 31.823 -0.200 0.000 1.014 219 V HN 0.754 nan 8.190 nan 0.000 0.425 220 V N 5.004 124.762 119.914 -0.261 0.000 2.384 220 V HA 0.554 4.674 4.120 0.000 0.000 0.287 220 V C -0.354 175.572 176.094 -0.280 0.000 1.020 220 V CA -0.307 61.740 62.300 -0.423 0.000 0.850 220 V CB 1.551 33.036 31.823 -0.563 0.000 0.987 220 V HN 0.682 nan 8.190 nan 0.000 0.436 221 I N 3.223 123.659 120.570 -0.224 0.000 2.433 221 I HA 0.350 4.520 4.170 0.000 0.000 0.292 221 I C -0.080 175.993 176.117 -0.073 0.000 1.001 221 I CA -0.507 60.723 61.300 -0.116 0.000 1.119 221 I CB 2.039 40.008 38.000 -0.051 0.000 1.289 221 I HN 0.496 nan 8.210 nan 0.000 0.438 222 D N 7.401 127.770 120.400 -0.051 0.000 2.600 222 D HA 0.129 4.769 4.640 0.000 0.000 0.226 222 D C -0.380 175.927 176.300 0.011 0.000 1.119 222 D CA 0.428 54.415 54.000 -0.022 0.000 1.051 222 D CB 0.130 40.918 40.800 -0.020 0.000 1.106 222 D HN 0.288 nan 8.370 nan 0.000 0.491 223 K N 0.912 121.332 120.400 0.034 0.000 2.469 223 K HA 0.448 4.768 4.320 0.000 0.000 0.268 223 K C -0.267 176.370 176.600 0.061 0.000 1.027 223 K CA -0.665 55.654 56.287 0.054 0.000 0.893 223 K CB 1.789 34.341 32.500 0.087 0.000 1.460 223 K HN 0.169 nan 8.250 nan 0.000 0.449 224 E N 0.240 120.471 120.200 0.053 0.000 2.320 224 E HA 0.376 4.726 4.350 0.000 0.000 0.264 224 E C -0.775 175.846 176.600 0.035 0.000 0.923 224 E CA -1.131 55.297 56.400 0.046 0.000 0.796 224 E CB 2.256 31.976 29.700 0.032 0.000 1.262 224 E HN 0.072 nan 8.360 nan 0.000 0.428 225 V N 2.283 122.213 119.914 0.027 0.000 2.521 225 V HA -0.071 4.049 4.120 0.000 0.000 0.286 225 V C 1.328 177.436 176.094 0.024 0.000 1.034 225 V CA 0.359 62.665 62.300 0.011 0.000 1.045 225 V CB 1.162 32.994 31.823 0.014 0.000 0.974 225 V HN 0.644 nan 8.190 nan 0.000 0.480 226 V N 4.516 124.446 119.914 0.026 0.000 2.380 226 V HA -0.181 3.939 4.120 0.000 0.000 0.251 226 V C 0.904 177.045 176.094 0.079 0.000 1.063 226 V CA 2.032 64.360 62.300 0.047 0.000 1.055 226 V CB -0.401 31.453 31.823 0.051 0.000 0.657 226 V HN 1.007 nan 8.190 nan 0.000 0.455 227 H N -1.133 117.935 119.070 -0.003 0.000 2.495 227 H HA 0.400 4.956 4.556 0.000 0.000 0.348 227 H C -1.831 173.497 175.328 0.001 0.000 1.113 227 H CA -1.892 54.159 56.048 0.004 0.000 1.195 227 H CB 2.203 31.969 29.762 0.008 0.000 1.521 227 H HN -0.030 nan 8.280 nan 0.000 0.509 228 P HA -0.126 nan 4.420 nan 0.000 0.218 228 P C 1.280 178.627 177.300 0.078 0.000 1.148 228 P CA 1.000 64.062 63.100 -0.062 0.000 0.822 228 P CB 0.322 31.930 31.700 -0.154 0.000 0.784 229 R N -1.344 119.334 120.500 0.297 0.000 2.236 229 R HA 0.155 4.495 4.340 0.000 0.000 0.208 229 R C 1.021 177.401 176.300 0.133 0.000 1.036 229 R CA 0.334 56.573 56.100 0.231 0.000 1.001 229 R CB -0.431 30.029 30.300 0.268 0.000 0.896 229 R HN 0.345 nan 8.270 nan 0.000 0.464 230 M N 1.137 120.824 119.600 0.145 0.000 2.226 230 M HA 0.134 4.614 4.480 0.000 0.000 0.324 230 M C -2.012 174.310 176.300 0.037 0.000 1.112 230 M CA -1.513 53.821 55.300 0.056 0.000 1.176 230 M CB 0.050 32.679 32.600 0.048 0.000 1.430 230 M HN -0.252 nan 8.290 nan 0.000 0.462 231 P HA 0.026 nan 4.420 nan 0.000 0.269 231 P C -0.246 177.060 177.300 0.011 0.000 1.215 231 P CA 0.002 63.109 63.100 0.012 0.000 0.780 231 P CB 0.532 32.235 31.700 0.005 0.000 0.898 232 K N 1.150 121.557 120.400 0.013 0.000 2.354 232 K HA 0.144 4.464 4.320 0.000 0.000 0.194 232 K C 0.658 177.268 176.600 0.016 0.000 1.038 232 K CA 0.421 56.718 56.287 0.016 0.000 1.052 232 K CB 0.675 33.184 32.500 0.015 0.000 0.861 232 K HN 0.414 nan 8.250 nan 0.000 0.535 233 R N 0.248 120.754 120.500 0.009 0.000 2.584 233 R HA 0.384 4.724 4.340 0.000 0.000 0.276 233 R C -1.775 174.528 176.300 0.004 0.000 1.046 233 R CA -0.366 55.739 56.100 0.007 0.000 0.906 233 R CB 1.911 32.211 30.300 -0.001 0.000 1.215 233 R HN -0.238 nan 8.270 nan 0.000 0.449 234 V N 4.539 124.454 119.914 0.002 0.000 2.524 234 V HA 0.195 4.315 4.120 0.000 0.000 0.297 234 V C 0.541 176.630 176.094 -0.009 0.000 1.035 234 V CA -0.748 61.551 62.300 -0.002 0.000 0.867 234 V CB 1.600 33.419 31.823 -0.007 0.000 1.004 234 V HN 0.848 nan 8.190 nan 0.000 0.426 235 E N 2.668 122.868 120.200 0.000 0.000 1.969 235 E HA -0.076 4.274 4.350 0.000 0.000 0.204 235 E C 0.451 177.046 176.600 -0.008 0.000 0.982 235 E CA 1.032 57.434 56.400 0.004 0.000 0.871 235 E CB -0.063 29.652 29.700 0.024 0.000 0.815 235 E HN 0.632 nan 8.360 nan 0.000 0.527 236 N N 1.749 120.474 118.700 0.040 0.000 3.245 236 N HA 0.230 4.970 4.740 0.000 0.000 0.296 236 N C -0.642 174.890 175.510 0.036 0.000 1.254 236 N CA 0.017 53.125 53.050 0.097 0.000 1.190 236 N CB 0.340 38.973 38.487 0.243 0.000 1.460 236 N HN 0.137 nan 8.380 nan 0.000 0.538 237 A N 1.458 124.217 122.820 -0.101 0.000 2.540 237 A HA 0.066 4.386 4.320 0.000 0.000 0.239 237 A C 0.393 177.962 177.584 -0.024 0.000 1.061 237 A CA 0.296 52.294 52.037 -0.065 0.000 0.758 237 A CB 0.253 19.208 19.000 -0.076 0.000 0.991 237 A HN 0.272 nan 8.150 nan 0.000 0.502 238 K N 2.303 122.724 120.400 0.035 0.000 2.347 238 K HA 0.466 4.786 4.320 0.000 0.000 0.262 238 K C -1.098 175.534 176.600 0.054 0.000 1.052 238 K CA 0.009 56.338 56.287 0.070 0.000 0.946 238 K CB 0.801 33.340 32.500 0.064 0.000 1.220 238 K HN 0.539 nan 8.250 nan 0.000 0.450 239 I N 2.512 123.127 120.570 0.075 0.000 2.371 239 I HA 0.290 4.460 4.170 0.000 0.000 0.290 239 I C 0.273 176.455 176.117 0.109 0.000 1.028 239 I CA -0.135 61.233 61.300 0.113 0.000 1.345 239 I CB 1.321 39.419 38.000 0.163 0.000 1.407 239 I HN 0.548 nan 8.210 nan 0.000 0.501 240 A N 6.970 129.854 122.820 0.108 0.000 2.317 240 A HA 0.838 5.158 4.320 0.000 0.000 0.327 240 A C -1.044 176.621 177.584 0.135 0.000 1.178 240 A CA -0.472 51.618 52.037 0.089 0.000 0.817 240 A CB 0.692 19.721 19.000 0.049 0.000 1.189 240 A HN 0.494 nan 8.150 nan 0.000 0.489 241 L N 3.981 125.268 121.223 0.106 0.000 2.345 241 L HA 0.454 4.795 4.340 0.000 0.000 0.274 241 L C -0.815 176.097 176.870 0.069 0.000 0.999 241 L CA -0.084 54.823 54.840 0.111 0.000 0.849 241 L CB 1.215 43.320 42.059 0.076 0.000 1.220 241 L HN 0.509 nan 8.230 nan 0.000 0.422 242 I N 3.527 124.139 120.570 0.070 0.000 2.433 242 I HA 0.361 4.531 4.170 0.000 0.000 0.292 242 I C 0.828 176.970 176.117 0.042 0.000 1.001 242 I CA -0.363 60.962 61.300 0.040 0.000 1.119 242 I CB 1.859 39.875 38.000 0.027 0.000 1.289 242 I HN 0.593 nan 8.210 nan 0.000 0.438 243 N N 4.411 123.127 118.700 0.026 0.000 2.322 243 N HA -0.032 4.708 4.740 0.000 0.000 0.181 243 N C 0.346 175.868 175.510 0.019 0.000 1.088 243 N CA 0.001 53.067 53.050 0.025 0.000 0.885 243 N CB 0.640 39.138 38.487 0.017 0.000 1.013 243 N HN 0.735 nan 8.380 nan 0.000 0.472 244 E N 0.962 121.170 120.200 0.013 0.000 2.343 244 E HA 0.412 4.762 4.350 0.000 0.000 0.269 244 E C -0.621 175.987 176.600 0.014 0.000 1.047 244 E CA -0.680 55.725 56.400 0.009 0.000 0.874 244 E CB 1.142 30.841 29.700 -0.001 0.000 1.033 244 E HN 0.244 nan 8.360 nan 0.000 0.409 245 A N 3.845 126.674 122.820 0.016 0.000 2.462 245 A HA 0.177 4.497 4.320 0.000 0.000 0.243 245 A C -0.237 177.360 177.584 0.022 0.000 1.076 245 A CA -0.426 51.624 52.037 0.021 0.000 0.773 245 A CB 0.228 19.241 19.000 0.022 0.000 1.010 245 A HN 0.547 nan 8.150 nan 0.000 0.493 246 L N 3.069 124.309 121.223 0.029 0.000 2.423 246 L HA 0.299 4.639 4.340 0.000 0.000 0.249 246 L C 0.335 177.231 176.870 0.044 0.000 1.276 246 L CA 0.901 55.762 54.840 0.035 0.000 1.199 246 L CB -1.288 40.796 42.059 0.042 0.000 1.407 246 L HN 0.832 nan 8.230 nan 0.000 0.410 247 E N -0.277 119.946 120.200 0.038 0.000 2.459 247 E HA 0.442 4.792 4.350 0.000 0.000 0.275 247 E C -1.052 175.571 176.600 0.038 0.000 0.987 247 E CA -1.197 55.228 56.400 0.041 0.000 0.828 247 E CB 1.758 31.479 29.700 0.034 0.000 1.428 247 E HN -0.167 nan 8.360 nan 0.000 0.457 248 V N 2.283 122.222 119.914 0.041 0.000 2.450 248 V HA 0.016 4.136 4.120 0.000 0.000 0.281 248 V C 0.150 176.262 176.094 0.030 0.000 1.019 248 V CA 0.324 62.648 62.300 0.040 0.000 1.062 248 V CB -0.430 31.420 31.823 0.045 0.000 0.979 248 V HN 0.444 nan 8.190 nan 0.000 0.477 249 K N 4.987 125.403 120.400 0.026 0.000 2.237 249 K HA 0.475 4.795 4.320 0.000 0.000 0.270 249 K C -0.381 176.231 176.600 0.020 0.000 1.015 249 K CA -0.477 55.822 56.287 0.019 0.000 0.949 249 K CB 0.997 33.505 32.500 0.014 0.000 0.976 249 K HN 0.565 nan 8.250 nan 0.000 0.472 250 K N 1.180 121.589 120.400 0.015 0.000 2.371 250 K HA 0.186 4.507 4.320 0.000 0.000 0.251 250 K C -0.351 176.255 176.600 0.010 0.000 0.934 250 K CA -0.732 55.563 56.287 0.013 0.000 0.798 250 K CB 1.919 34.425 32.500 0.008 0.000 1.204 250 K HN 0.693 nan 8.250 nan 0.000 0.427 251 T N -1.079 113.481 114.554 0.009 0.000 2.855 251 T HA -0.016 4.334 4.350 0.000 0.000 0.314 251 T C 1.100 175.803 174.700 0.004 0.000 1.077 251 T CA -0.197 61.908 62.100 0.007 0.000 1.095 251 T CB 0.822 69.695 68.868 0.008 0.000 0.987 251 T HN 0.631 nan 8.240 nan 0.000 0.546 252 E N 0.647 120.849 120.200 0.004 0.000 2.152 252 E HA 0.048 4.399 4.350 0.000 0.000 0.192 252 E C 0.654 177.255 176.600 0.002 0.000 0.983 252 E CA 0.673 57.075 56.400 0.003 0.000 0.818 252 E CB -0.312 29.389 29.700 0.002 0.000 0.758 252 E HN 0.802 nan 8.360 nan 0.000 0.467 253 T N 1.927 116.482 114.554 0.002 0.000 2.907 253 T HA 0.095 4.445 4.350 0.000 0.000 0.298 253 T C -0.447 174.252 174.700 -0.001 0.000 1.017 253 T CA -0.540 61.560 62.100 0.001 0.000 1.118 253 T CB 0.661 69.530 68.868 0.002 0.000 0.948 253 T HN -0.007 nan 8.240 nan 0.000 0.531 254 D N 1.883 122.281 120.400 -0.003 0.000 2.488 254 D HA 0.430 5.070 4.640 0.000 0.000 0.238 254 D C -0.080 176.215 176.300 -0.008 0.000 1.138 254 D CA 0.458 54.455 54.000 -0.006 0.000 0.873 254 D CB 0.432 41.228 40.800 -0.007 0.000 1.183 254 D HN 0.718 nan 8.370 nan 0.000 0.458 255 A N 1.965 124.777 122.820 -0.013 0.000 2.574 255 A HA 0.662 4.982 4.320 0.000 0.000 0.297 255 A C -0.852 176.712 177.584 -0.034 0.000 1.062 255 A CA -0.808 51.218 52.037 -0.018 0.000 0.686 255 A CB 1.762 20.755 19.000 -0.011 0.000 1.285 255 A HN 0.414 nan 8.150 nan 0.000 0.403 256 K N 1.695 122.066 120.400 -0.048 0.000 2.523 256 K HA 0.633 4.953 4.320 0.000 0.000 0.257 256 K C -1.578 174.952 176.600 -0.116 0.000 0.932 256 K CA -0.605 55.637 56.287 -0.075 0.000 0.812 256 K CB 1.489 33.953 32.500 -0.059 0.000 1.326 256 K HN 0.672 nan 8.250 nan 0.000 0.433 257 I N 3.226 123.680 120.570 -0.193 0.000 2.441 257 I HA 0.119 4.289 4.170 0.000 0.000 0.287 257 I C -0.092 175.887 176.117 -0.230 0.000 1.049 257 I CA -0.232 60.872 61.300 -0.327 0.000 1.381 257 I CB 0.902 38.515 38.000 -0.645 0.000 1.409 257 I HN 0.457 nan 8.210 nan 0.000 0.523 258 N N 7.736 126.335 118.700 -0.169 0.000 2.501 258 N HA 0.427 5.167 4.740 0.000 0.000 0.245 258 N C -0.758 174.716 175.510 -0.060 0.000 0.974 258 N CA -0.527 52.470 53.050 -0.088 0.000 0.941 258 N CB 1.523 39.986 38.487 -0.040 0.000 1.122 258 N HN 0.410 nan 8.380 nan 0.000 0.507 259 I N 1.586 122.123 120.570 -0.055 0.000 2.395 259 I HA 0.097 4.267 4.170 0.000 0.000 0.289 259 I C 1.436 177.568 176.117 0.024 0.000 1.023 259 I CA 0.014 61.318 61.300 0.006 0.000 1.350 259 I CB 1.233 39.233 38.000 -0.000 0.000 1.409 259 I HN 0.571 nan 8.210 nan 0.000 0.507 260 T N -0.513 114.071 114.554 0.050 0.000 3.016 260 T HA 0.206 4.556 4.350 0.000 0.000 0.271 260 T C 0.261 174.985 174.700 0.040 0.000 0.968 260 T CA -0.167 61.956 62.100 0.038 0.000 0.891 260 T CB 0.133 69.023 68.868 0.036 0.000 1.149 260 T HN 0.586 nan 8.240 nan 0.000 0.524 261 S N 0.240 115.971 115.700 0.053 0.000 2.536 261 S HA 0.587 5.057 4.470 0.000 0.000 0.271 261 S C -2.780 171.851 174.600 0.052 0.000 1.134 261 S CA -1.173 57.053 58.200 0.045 0.000 0.897 261 S CB 2.024 65.247 63.200 0.039 0.000 1.094 261 S HN -0.181 nan 8.310 nan 0.000 0.473 262 P HA -0.189 nan 4.420 nan 0.000 0.216 262 P C 0.962 178.289 177.300 0.044 0.000 1.154 262 P CA 1.891 65.014 63.100 0.037 0.000 0.865 262 P CB -0.160 31.555 31.700 0.025 0.000 0.789 263 D N -0.671 119.750 120.400 0.036 0.000 2.309 263 D HA -0.198 4.442 4.640 0.000 0.000 0.212 263 D C 1.639 177.963 176.300 0.039 0.000 0.968 263 D CA 1.125 55.141 54.000 0.027 0.000 0.882 263 D CB -1.094 39.713 40.800 0.011 0.000 0.918 263 D HN 0.309 nan 8.370 nan 0.000 0.503 264 Q N -0.202 119.648 119.800 0.083 0.000 2.172 264 Q HA 0.074 4.414 4.340 0.000 0.000 0.200 264 Q C 2.426 178.575 176.000 0.248 0.000 0.964 264 Q CA 0.331 56.235 55.803 0.167 0.000 0.855 264 Q CB 0.010 28.926 28.738 0.297 0.000 0.918 264 Q HN 0.356 nan 8.270 nan 0.000 0.444 265 L N -0.065 121.254 121.223 0.159 0.000 2.043 265 L HA -0.229 4.112 4.340 0.000 0.000 0.212 265 L C 2.405 179.350 176.870 0.124 0.000 1.075 265 L CA 0.978 55.899 54.840 0.135 0.000 0.752 265 L CB -0.346 41.758 42.059 0.075 0.000 0.891 265 L HN 0.374 nan 8.230 nan 0.000 0.432 266 M N -0.771 118.877 119.600 0.079 0.000 2.287 266 M HA -0.076 4.404 4.480 0.000 0.000 0.266 266 M C 2.692 179.009 176.300 0.028 0.000 1.079 266 M CA 1.602 56.932 55.300 0.050 0.000 1.146 266 M CB -0.723 31.893 32.600 0.026 0.000 1.374 266 M HN 0.377 nan 8.290 nan 0.000 0.435 267 S N 0.217 115.910 115.700 -0.012 0.000 2.368 267 S HA -0.106 4.364 4.470 0.000 0.000 0.225 267 S C 1.879 176.372 174.600 -0.178 0.000 1.030 267 S CA 1.060 59.182 58.200 -0.129 0.000 0.999 267 S CB -1.004 62.057 63.200 -0.233 0.000 0.844 267 S HN 0.357 nan 8.310 nan 0.000 0.459 268 F N 0.948 120.904 119.950 0.010 0.000 2.206 268 F HA 0.151 4.678 4.527 0.000 0.000 0.298 268 F C 2.223 178.032 175.800 0.014 0.000 1.090 268 F CA 0.339 58.346 58.000 0.011 0.000 1.323 268 F CB -0.341 38.664 39.000 0.010 0.000 1.028 268 F HN 0.193 nan 8.300 nan 0.000 0.492 269 L N 0.505 121.834 121.223 0.177 0.000 2.046 269 L HA -0.197 4.143 4.340 0.000 0.000 0.208 269 L C 2.147 179.062 176.870 0.076 0.000 1.077 269 L CA 1.825 56.732 54.840 0.110 0.000 0.747 269 L CB -1.095 41.013 42.059 0.082 0.000 0.896 269 L HN 0.186 nan 8.230 nan 0.000 0.432 270 E N -1.533 118.695 120.200 0.047 0.000 2.150 270 E HA -0.254 4.096 4.350 0.000 0.000 0.193 270 E C 2.035 178.648 176.600 0.021 0.000 0.985 270 E CA 0.702 57.118 56.400 0.027 0.000 0.814 270 E CB -0.000 29.701 29.700 0.003 0.000 0.752 270 E HN 0.359 nan 8.360 nan 0.000 0.466 271 Q N 1.523 121.328 119.800 0.009 0.000 2.079 271 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 271 Q C 1.552 177.580 176.000 0.046 0.000 0.974 271 Q CA 1.612 57.419 55.803 0.007 0.000 0.840 271 Q CB 0.051 28.776 28.738 -0.021 0.000 0.898 271 Q HN 0.290 nan 8.270 nan 0.000 0.430 272 E N -0.066 120.180 120.200 0.076 0.000 2.150 272 E HA -0.171 4.179 4.350 0.000 0.000 0.193 272 E C 1.901 178.544 176.600 0.072 0.000 0.985 272 E CA 1.054 57.500 56.400 0.078 0.000 0.814 272 E CB -0.004 29.749 29.700 0.088 0.000 0.752 272 E HN 0.533 nan 8.360 nan 0.000 0.466 273 E N 0.921 121.166 120.200 0.074 0.000 2.106 273 E HA -0.171 4.179 4.350 0.000 0.000 0.192 273 E C 2.036 178.682 176.600 0.076 0.000 0.984 273 E CA 0.739 57.196 56.400 0.095 0.000 0.806 273 E CB 0.023 29.781 29.700 0.097 0.000 0.750 273 E HN 0.069 nan 8.360 nan 0.000 0.458 274 K N 0.755 121.179 120.400 0.041 0.000 2.097 274 K HA -0.101 4.219 4.320 0.000 0.000 0.205 274 K C 2.112 178.715 176.600 0.006 0.000 1.050 274 K CA 0.976 57.268 56.287 0.009 0.000 0.938 274 K CB 0.051 32.551 32.500 0.000 0.000 0.718 274 K HN 0.055 nan 8.250 nan 0.000 0.442 275 M N 0.425 120.039 119.600 0.024 0.000 2.117 275 M HA -0.175 4.305 4.480 0.000 0.000 0.262 275 M C 2.076 178.393 176.300 0.028 0.000 1.065 275 M CA 1.093 56.408 55.300 0.024 0.000 1.114 275 M CB -0.209 32.411 32.600 0.034 0.000 1.361 275 M HN 0.136 nan 8.290 nan 0.000 0.408 276 L N 0.514 121.767 121.223 0.050 0.000 2.027 276 L HA -0.159 4.181 4.340 0.000 0.000 0.206 276 L C 2.410 179.311 176.870 0.051 0.000 1.074 276 L CA 1.870 56.756 54.840 0.077 0.000 0.745 276 L CB -0.695 41.443 42.059 0.131 0.000 0.898 276 L HN 0.210 nan 8.230 nan 0.000 0.433 277 K N -0.835 119.553 120.400 -0.021 0.000 2.097 277 K HA -0.182 4.138 4.320 0.000 0.000 0.206 277 K C 1.665 178.185 176.600 -0.134 0.000 1.049 277 K CA 1.541 57.684 56.287 -0.241 0.000 0.933 277 K CB -0.027 32.241 32.500 -0.387 0.000 0.717 277 K HN 0.292 nan 8.250 nan 0.000 0.442 278 D N 0.654 121.022 120.400 -0.054 0.000 2.117 278 D HA -0.176 4.465 4.640 0.000 0.000 0.197 278 D C 1.938 178.254 176.300 0.026 0.000 0.987 278 D CA 1.342 55.337 54.000 -0.010 0.000 0.829 278 D CB -0.117 40.686 40.800 0.006 0.000 0.961 278 D HN 0.296 nan 8.370 nan 0.000 0.460 279 M N 0.160 119.771 119.600 0.017 0.000 2.073 279 M HA -0.173 4.307 4.480 0.000 0.000 0.258 279 M C 2.392 178.716 176.300 0.040 0.000 1.070 279 M CA 1.173 56.484 55.300 0.019 0.000 1.103 279 M CB -0.371 32.236 32.600 0.012 0.000 1.321 279 M HN -0.104 nan 8.290 nan 0.000 0.405 280 V N 0.371 120.307 119.914 0.036 0.000 2.343 280 V HA -0.268 3.852 4.120 0.000 0.000 0.247 280 V C 1.803 177.877 176.094 -0.033 0.000 1.051 280 V CA 1.855 64.179 62.300 0.040 0.000 1.036 280 V CB -0.785 31.119 31.823 0.134 0.000 0.654 280 V HN 0.412 nan 8.190 nan 0.000 0.451 281 D N -1.137 119.258 120.400 -0.008 0.000 2.144 281 D HA -0.187 4.453 4.640 0.000 0.000 0.199 281 D C 2.089 178.320 176.300 -0.114 0.000 0.984 281 D CA 1.342 55.307 54.000 -0.058 0.000 0.834 281 D CB -0.348 40.461 40.800 0.014 0.000 0.955 281 D HN 0.498 nan 8.370 nan 0.000 0.465 282 H N 0.902 119.909 119.070 -0.104 0.000 2.321 282 H HA -0.035 4.521 4.556 0.000 0.000 0.300 282 H C 2.338 177.599 175.328 -0.111 0.000 1.087 282 H CA 0.934 56.929 56.048 -0.088 0.000 1.319 282 H CB -0.258 29.472 29.762 -0.054 0.000 1.379 282 H HN 0.141 nan 8.280 nan 0.000 0.501 283 I N 0.705 121.334 120.570 0.098 0.000 2.163 283 I HA -0.281 3.889 4.170 0.000 0.000 0.243 283 I C 2.979 179.020 176.117 -0.127 0.000 1.085 283 I CA 1.174 62.489 61.300 0.025 0.000 1.347 283 I CB -0.483 37.509 38.000 -0.013 0.000 1.044 283 I HN 0.246 nan 8.210 nan 0.000 0.408 284 A N 0.089 122.729 122.820 -0.300 0.000 1.940 284 A HA -0.281 4.039 4.320 0.000 0.000 0.219 284 A C 2.207 179.606 177.584 -0.309 0.000 1.176 284 A CA 1.695 53.448 52.037 -0.473 0.000 0.631 284 A CB -0.666 17.613 19.000 -1.202 0.000 0.814 284 A HN 0.518 nan 8.150 nan 0.000 0.446 285 Q N -0.650 118.987 119.800 -0.272 0.000 2.364 285 Q HA -0.103 4.237 4.340 0.000 0.000 0.207 285 Q C 2.059 177.955 176.000 -0.174 0.000 0.970 285 Q CA 1.586 57.258 55.803 -0.218 0.000 0.888 285 Q CB -0.321 28.259 28.738 -0.263 0.000 0.951 285 Q HN 0.921 nan 8.270 nan 0.000 0.469 286 T N -4.195 110.270 114.554 -0.148 0.000 3.023 286 T HA 0.142 4.492 4.350 0.000 0.000 0.266 286 T C 1.500 176.166 174.700 -0.056 0.000 1.093 286 T CA 0.781 62.832 62.100 -0.082 0.000 1.129 286 T CB 0.340 69.193 68.868 -0.025 0.000 0.899 286 T HN 0.410 nan 8.240 nan 0.000 0.491 287 G N 1.136 109.894 108.800 -0.071 0.000 2.201 287 G HA2 0.029 3.989 3.960 0.000 0.000 0.212 287 G HA3 0.029 3.989 3.960 0.000 0.000 0.212 287 G C 0.332 175.213 174.900 -0.031 0.000 0.994 287 G CA -0.138 44.935 45.100 -0.045 0.000 0.644 287 G HN 1.135 nan 8.290 nan 0.000 0.508 288 A N 0.602 123.402 122.820 -0.033 0.000 2.540 288 A HA 0.502 4.822 4.320 0.000 0.000 0.239 288 A C 1.058 178.622 177.584 -0.034 0.000 1.061 288 A CA 1.280 53.307 52.037 -0.018 0.000 0.758 288 A CB 0.089 19.082 19.000 -0.011 0.000 0.991 288 A HN 1.216 nan 8.150 nan 0.000 0.502 289 N N 0.243 118.931 118.700 -0.019 0.000 2.170 289 N HA 0.271 5.011 4.740 0.000 0.000 0.222 289 N C -0.817 174.670 175.510 -0.039 0.000 1.218 289 N CA -0.002 53.033 53.050 -0.024 0.000 0.889 289 N CB 0.634 39.117 38.487 -0.007 0.000 1.083 289 N HN 0.251 nan 8.380 nan 0.000 0.520 290 V N 0.509 120.394 119.914 -0.048 0.000 2.777 290 V HA 0.546 4.666 4.120 0.000 0.000 0.306 290 V C -1.213 174.808 176.094 -0.123 0.000 1.112 290 V CA -0.829 61.407 62.300 -0.108 0.000 0.917 290 V CB 2.424 34.207 31.823 -0.067 0.000 1.018 290 V HN -0.083 nan 8.190 nan 0.000 0.426 291 V N 4.660 124.424 119.914 -0.250 0.000 2.623 291 V HA 0.565 4.685 4.120 0.000 0.000 0.304 291 V C -1.167 174.717 176.094 -0.350 0.000 1.054 291 V CA -0.578 61.617 62.300 -0.175 0.000 0.882 291 V CB 1.977 33.750 31.823 -0.084 0.000 1.002 291 V HN 0.679 nan 8.190 nan 0.000 0.424 292 F N 3.276 123.229 119.950 0.005 0.000 2.411 292 F HA 0.658 5.185 4.527 0.000 0.000 0.352 292 F C 0.093 175.896 175.800 0.005 0.000 1.123 292 F CA -0.733 57.270 58.000 0.004 0.000 1.044 292 F CB 1.927 40.925 39.000 -0.002 0.000 1.135 292 F HN 0.193 nan 8.300 nan 0.000 0.461 293 V N 4.198 124.191 119.914 0.131 0.000 2.417 293 V HA 0.185 4.305 4.120 0.000 0.000 0.291 293 V C 0.723 176.871 176.094 0.090 0.000 1.024 293 V CA -0.551 61.801 62.300 0.087 0.000 0.861 293 V CB 1.608 33.458 31.823 0.045 0.000 0.985 293 V HN 0.869 nan 8.190 nan 0.000 0.436 294 Q N 2.995 122.837 119.800 0.070 0.000 2.172 294 Q HA -0.047 4.293 4.340 0.000 0.000 0.200 294 Q C 1.002 177.026 176.000 0.041 0.000 0.964 294 Q CA 1.081 56.916 55.803 0.054 0.000 0.855 294 Q CB 0.332 29.092 28.738 0.037 0.000 0.918 294 Q HN 0.597 nan 8.270 nan 0.000 0.444 295 K N -0.658 119.763 120.400 0.036 0.000 2.580 295 K HA 0.364 4.684 4.320 0.000 0.000 0.287 295 K C 0.361 176.981 176.600 0.032 0.000 1.005 295 K CA 0.017 56.322 56.287 0.029 0.000 1.200 295 K CB -0.601 31.913 32.500 0.024 0.000 1.568 295 K HN 0.123 nan 8.250 nan 0.000 0.685 296 G N 0.172 108.989 108.800 0.029 0.000 2.588 296 G HA2 0.561 4.521 3.960 0.000 0.000 0.281 296 G HA3 0.561 4.521 3.960 0.000 0.000 0.281 296 G C -0.562 174.358 174.900 0.034 0.000 1.236 296 G CA -0.545 44.573 45.100 0.031 0.000 0.969 296 G HN 0.316 nan 8.290 nan 0.000 0.504 297 I N 0.619 121.212 120.570 0.038 0.000 2.531 297 I HA 0.132 4.302 4.170 0.000 0.000 0.283 297 I C -0.624 175.525 176.117 0.052 0.000 1.083 297 I CA -0.698 60.629 61.300 0.045 0.000 1.071 297 I CB 1.859 39.886 38.000 0.044 0.000 1.210 297 I HN 0.443 nan 8.210 nan 0.000 0.450 298 D N 5.154 125.588 120.400 0.056 0.000 2.478 298 D HA -0.089 4.551 4.640 0.000 0.000 0.234 298 D C 0.764 177.104 176.300 0.067 0.000 1.154 298 D CA 0.467 54.502 54.000 0.058 0.000 0.874 298 D CB 1.233 42.071 40.800 0.064 0.000 1.198 298 D HN 0.485 nan 8.370 nan 0.000 0.455 299 D N 2.636 123.070 120.400 0.057 0.000 2.133 299 D HA -0.192 4.448 4.640 0.000 0.000 0.195 299 D C 1.811 178.147 176.300 0.060 0.000 0.997 299 D CA 0.718 54.756 54.000 0.064 0.000 0.840 299 D CB 0.015 40.837 40.800 0.037 0.000 0.947 299 D HN 0.336 nan 8.370 nan 0.000 0.452 300 L N 1.056 122.307 121.223 0.045 0.000 2.046 300 L HA -0.109 4.231 4.340 0.000 0.000 0.208 300 L C 2.212 179.143 176.870 0.102 0.000 1.077 300 L CA 1.736 56.592 54.840 0.026 0.000 0.747 300 L CB -0.820 41.290 42.059 0.086 0.000 0.896 300 L HN -0.034 nan 8.230 nan 0.000 0.432 301 A N -1.263 121.655 122.820 0.164 0.000 1.902 301 A HA -0.260 4.060 4.320 0.000 0.000 0.217 301 A C 2.171 179.838 177.584 0.138 0.000 1.181 301 A CA 1.771 53.933 52.037 0.208 0.000 0.623 301 A CB -0.566 18.517 19.000 0.138 0.000 0.818 301 A HN 0.644 nan 8.150 nan 0.000 0.443 302 Q N -1.387 118.465 119.800 0.086 0.000 2.096 302 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 302 Q C 2.168 178.094 176.000 -0.124 0.000 0.982 302 Q CA 1.626 57.453 55.803 0.040 0.000 0.850 302 Q CB -0.430 28.394 28.738 0.145 0.000 0.901 302 Q HN 0.908 nan 8.270 nan 0.000 0.422 303 H N -0.447 118.490 119.070 -0.222 0.000 2.319 303 H HA -0.177 4.379 4.556 0.000 0.000 0.299 303 H C 1.627 176.761 175.328 -0.323 0.000 1.092 303 H CA 1.664 57.480 56.048 -0.386 0.000 1.302 303 H CB 0.082 29.622 29.762 -0.371 0.000 1.373 303 H HN 0.282 nan 8.280 nan 0.000 0.497 304 Y N 0.289 120.518 120.300 -0.118 0.000 2.200 304 Y HA -0.189 4.361 4.550 0.000 0.000 0.290 304 Y C 2.776 178.660 175.900 -0.027 0.000 1.137 304 Y CA 0.426 58.458 58.100 -0.112 0.000 1.163 304 Y CB -0.446 38.046 38.460 0.053 0.000 0.988 304 Y HN 0.192 nan 8.280 nan 0.000 0.518 305 L N -0.386 120.922 121.223 0.141 0.000 2.012 305 L HA -0.241 4.099 4.340 0.000 0.000 0.210 305 L C 2.536 179.408 176.870 0.004 0.000 1.073 305 L CA 2.114 57.014 54.840 0.100 0.000 0.748 305 L CB -1.875 40.202 42.059 0.029 0.000 0.891 305 L HN 0.251 nan 8.230 nan 0.000 0.431 306 A N -0.788 121.925 122.820 -0.179 0.000 1.933 306 A HA -0.247 4.073 4.320 0.000 0.000 0.218 306 A C 2.449 179.916 177.584 -0.195 0.000 1.175 306 A CA 1.791 53.681 52.037 -0.245 0.000 0.628 306 A CB -0.446 18.192 19.000 -0.603 0.000 0.814 306 A HN 0.364 nan 8.150 nan 0.000 0.444 307 K N -1.812 118.421 120.400 -0.277 0.000 2.148 307 K HA -0.102 4.218 4.320 0.000 0.000 0.204 307 K C 1.251 177.749 176.600 -0.170 0.000 1.050 307 K CA 1.292 57.411 56.287 -0.280 0.000 0.942 307 K CB -0.232 32.028 32.500 -0.399 0.000 0.724 307 K HN 0.650 nan 8.250 nan 0.000 0.446 308 Y N -0.458 119.798 120.300 -0.073 0.000 2.490 308 Y HA 0.080 4.630 4.550 0.000 0.000 0.281 308 Y C 1.196 177.071 175.900 -0.042 0.000 1.174 308 Y CA 0.268 58.343 58.100 -0.042 0.000 1.295 308 Y CB 0.884 39.328 38.460 -0.026 0.000 1.062 308 Y HN 0.296 nan 8.280 nan 0.000 0.522 309 G N 1.311 110.159 108.800 0.082 0.000 2.176 309 G HA2 -0.306 3.654 3.960 0.000 0.000 0.252 309 G HA3 -0.306 3.654 3.960 0.000 0.000 0.252 309 G C -0.097 174.823 174.900 0.034 0.000 1.024 309 G CA 0.074 45.199 45.100 0.041 0.000 0.755 309 G HN 0.332 nan 8.290 nan 0.000 0.507 310 I N 0.638 121.229 120.570 0.036 0.000 2.353 310 I HA 0.396 4.566 4.170 0.000 0.000 0.293 310 I C 0.844 176.945 176.117 -0.028 0.000 0.992 310 I CA -0.698 60.602 61.300 -0.001 0.000 1.268 310 I CB 1.622 39.619 38.000 -0.006 0.000 1.387 310 I HN 0.222 nan 8.210 nan 0.000 0.478 311 M N 6.582 126.150 119.600 -0.054 0.000 2.146 311 M HA 0.581 5.061 4.480 0.000 0.000 0.357 311 M C -0.749 175.461 176.300 -0.150 0.000 1.261 311 M CA -0.102 55.150 55.300 -0.080 0.000 1.106 311 M CB 0.772 33.322 32.600 -0.084 0.000 1.612 311 M HN 0.741 nan 8.290 nan 0.000 0.470 312 A N 5.001 127.743 122.820 -0.129 0.000 2.401 312 A HA 0.819 5.139 4.320 0.000 0.000 0.310 312 A C -1.485 176.002 177.584 -0.163 0.000 1.075 312 A CA -0.646 51.288 52.037 -0.171 0.000 0.746 312 A CB 1.846 20.798 19.000 -0.080 0.000 1.277 312 A HN 0.641 nan 8.150 nan 0.000 0.425 313 V N 2.390 122.175 119.914 -0.215 0.000 2.638 313 V HA 0.593 4.713 4.120 0.000 0.000 0.306 313 V C 0.064 176.154 176.094 -0.006 0.000 1.052 313 V CA -0.719 61.523 62.300 -0.097 0.000 0.885 313 V CB 1.636 33.404 31.823 -0.092 0.000 0.999 313 V HN 1.147 nan 8.190 nan 0.000 0.424 314 R N 2.749 123.267 120.500 0.029 0.000 2.797 314 R HA 0.813 5.153 4.340 0.000 0.000 0.251 314 R C -0.153 176.181 176.300 0.058 0.000 1.107 314 R CA -0.962 55.165 56.100 0.044 0.000 1.084 314 R CB 0.529 30.850 30.300 0.035 0.000 1.205 314 R HN 0.326 nan 8.270 nan 0.000 0.515 315 R N -0.720 119.811 120.500 0.051 0.000 3.405 315 R HA -0.115 4.225 4.340 0.000 0.000 0.258 315 R C -0.922 175.409 176.300 0.052 0.000 1.030 315 R CA 0.617 56.744 56.100 0.044 0.000 0.691 315 R CB -2.309 28.012 30.300 0.034 0.000 1.093 315 R HN 0.446 nan 8.270 nan 0.000 0.448 316 V N 1.208 121.165 119.914 0.073 0.000 2.508 316 V HA 0.065 4.185 4.120 0.000 0.000 0.281 316 V C 1.190 177.305 176.094 0.035 0.000 1.041 316 V CA -0.344 62.001 62.300 0.075 0.000 1.016 316 V CB 1.203 33.105 31.823 0.133 0.000 0.984 316 V HN 0.227 nan 8.190 nan 0.000 0.478 317 K N 3.857 124.265 120.400 0.014 0.000 2.524 317 K HA -0.031 4.289 4.320 0.000 0.000 0.279 317 K C 1.326 177.920 176.600 -0.010 0.000 0.993 317 K CA 0.070 56.356 56.287 -0.001 0.000 1.030 317 K CB 0.579 33.072 32.500 -0.011 0.000 0.891 317 K HN 0.598 nan 8.250 nan 0.000 0.488 318 K N 1.964 122.360 120.400 -0.007 0.000 2.044 318 K HA -0.241 4.079 4.320 0.000 0.000 0.210 318 K C 1.899 178.483 176.600 -0.026 0.000 1.049 318 K CA 2.292 58.572 56.287 -0.012 0.000 0.927 318 K CB -0.096 32.400 32.500 -0.007 0.000 0.713 318 K HN 0.704 nan 8.250 nan 0.000 0.443 319 S N 0.444 116.127 115.700 -0.029 0.000 2.399 319 S HA -0.160 4.310 4.470 0.000 0.000 0.231 319 S C 1.489 176.051 174.600 -0.062 0.000 1.022 319 S CA 1.510 59.686 58.200 -0.040 0.000 0.983 319 S CB -0.268 62.911 63.200 -0.034 0.000 0.803 319 S HN 0.317 nan 8.310 nan 0.000 0.480 320 D N 1.111 121.469 120.400 -0.070 0.000 2.149 320 D HA 0.071 4.711 4.640 0.000 0.000 0.201 320 D C 2.012 178.227 176.300 -0.141 0.000 0.972 320 D CA 0.847 54.780 54.000 -0.111 0.000 0.835 320 D CB -0.225 40.511 40.800 -0.107 0.000 0.966 320 D HN 0.305 nan 8.370 nan 0.000 0.476 321 M N 0.687 120.228 119.600 -0.097 0.000 2.080 321 M HA -0.115 4.365 4.480 0.000 0.000 0.260 321 M C 1.928 178.175 176.300 -0.088 0.000 1.068 321 M CA 1.301 56.547 55.300 -0.090 0.000 1.109 321 M CB -0.900 31.681 32.600 -0.032 0.000 1.342 321 M HN 0.111 nan 8.290 nan 0.000 0.405 322 E N -0.019 120.140 120.200 -0.067 0.000 2.106 322 E HA -0.174 4.176 4.350 0.000 0.000 0.192 322 E C 2.069 178.625 176.600 -0.073 0.000 0.984 322 E CA 0.971 57.336 56.400 -0.057 0.000 0.806 322 E CB -0.108 29.566 29.700 -0.043 0.000 0.750 322 E HN 0.531 nan 8.360 nan 0.000 0.458 323 K N 0.620 120.962 120.400 -0.095 0.000 2.097 323 K HA -0.063 4.257 4.320 0.000 0.000 0.205 323 K C 2.242 178.766 176.600 -0.127 0.000 1.050 323 K CA 0.638 56.860 56.287 -0.107 0.000 0.938 323 K CB -0.055 32.371 32.500 -0.123 0.000 0.718 323 K HN 0.081 nan 8.250 nan 0.000 0.442 324 L N 0.580 121.699 121.223 -0.173 0.000 2.042 324 L HA -0.224 4.116 4.340 0.000 0.000 0.210 324 L C 2.567 179.365 176.870 -0.119 0.000 1.076 324 L CA 1.226 55.939 54.840 -0.213 0.000 0.749 324 L CB -0.545 41.295 42.059 -0.365 0.000 0.893 324 L HN 0.215 nan 8.230 nan 0.000 0.432 325 A N -0.026 122.744 122.820 -0.084 0.000 1.877 325 A HA -0.229 4.091 4.320 0.000 0.000 0.216 325 A C 2.313 179.879 177.584 -0.031 0.000 1.186 325 A CA 1.729 53.742 52.037 -0.040 0.000 0.620 325 A CB -0.378 18.605 19.000 -0.029 0.000 0.822 325 A HN 0.306 nan 8.150 nan 0.000 0.443 326 K N -0.543 119.833 120.400 -0.040 0.000 2.211 326 K HA -0.018 4.302 4.320 0.000 0.000 0.203 326 K C 2.191 178.775 176.600 -0.026 0.000 1.050 326 K CA 0.978 57.247 56.287 -0.030 0.000 0.945 326 K CB -0.214 32.264 32.500 -0.037 0.000 0.732 326 K HN 0.474 nan 8.250 nan 0.000 0.451 327 A N 0.941 123.736 122.820 -0.042 0.000 1.878 327 A HA -0.098 4.222 4.320 0.000 0.000 0.213 327 A C 2.245 179.826 177.584 -0.004 0.000 1.192 327 A CA 1.752 53.769 52.037 -0.033 0.000 0.619 327 A CB -0.676 18.287 19.000 -0.062 0.000 0.837 327 A HN 0.401 nan 8.150 nan 0.000 0.446 328 T N -4.699 109.849 114.554 -0.009 0.000 3.014 328 T HA 0.376 4.726 4.350 0.000 0.000 0.263 328 T C 1.518 176.255 174.700 0.061 0.000 1.078 328 T CA 1.355 63.472 62.100 0.028 0.000 1.135 328 T CB 0.121 68.996 68.868 0.012 0.000 0.895 328 T HN 1.697 nan 8.240 nan 0.000 0.480 329 G N 1.245 110.066 108.800 0.035 0.000 2.176 329 G HA2 0.012 3.972 3.960 0.000 0.000 0.232 329 G HA3 0.012 3.972 3.960 0.000 0.000 0.232 329 G C 0.329 175.251 174.900 0.037 0.000 0.986 329 G CA -0.050 45.074 45.100 0.039 0.000 0.643 329 G HN 1.131 nan 8.290 nan 0.000 0.522 330 A N 0.081 122.923 122.820 0.037 0.000 2.366 330 A HA 0.640 4.960 4.320 0.000 0.000 0.249 330 A C 0.475 178.074 177.584 0.024 0.000 1.084 330 A CA 0.511 52.572 52.037 0.039 0.000 0.794 330 A CB 0.365 19.395 19.000 0.050 0.000 1.034 330 A HN 0.419 nan 8.150 nan 0.000 0.491 331 K N 1.608 122.024 120.400 0.026 0.000 2.206 331 K HA 0.406 4.726 4.320 0.000 0.000 0.264 331 K C -0.714 175.898 176.600 0.020 0.000 0.967 331 K CA -0.599 55.698 56.287 0.018 0.000 0.844 331 K CB 1.467 33.977 32.500 0.017 0.000 1.099 331 K HN 0.520 nan 8.250 nan 0.000 0.441 332 I N 3.576 124.154 120.570 0.013 0.000 2.587 332 I HA 0.009 4.179 4.170 0.000 0.000 0.284 332 I C 0.250 176.375 176.117 0.013 0.000 1.134 332 I CA 0.059 61.368 61.300 0.015 0.000 1.410 332 I CB 0.195 38.199 38.000 0.007 0.000 1.392 332 I HN 0.271 nan 8.210 nan 0.000 0.545 333 V N 7.090 127.014 119.914 0.015 0.000 2.483 333 V HA 0.228 4.348 4.120 0.000 0.000 0.295 333 V C 1.141 177.236 176.094 0.001 0.000 1.035 333 V CA -0.281 62.023 62.300 0.006 0.000 0.896 333 V CB 1.776 33.602 31.823 0.005 0.000 0.986 333 V HN 0.868 nan 8.190 nan 0.000 0.447 334 T N 2.579 117.130 114.554 -0.005 0.000 2.809 334 T HA -0.017 4.333 4.350 0.000 0.000 0.260 334 T C 0.886 175.577 174.700 -0.015 0.000 1.039 334 T CA 1.001 63.097 62.100 -0.006 0.000 1.141 334 T CB -0.091 68.773 68.868 -0.006 0.000 0.869 334 T HN 0.537 nan 8.240 nan 0.000 0.437 335 N N 1.176 119.859 118.700 -0.029 0.000 2.408 335 N HA 0.208 4.949 4.740 0.000 0.000 0.280 335 N C 1.081 176.540 175.510 -0.086 0.000 1.002 335 N CA -0.127 52.894 53.050 -0.049 0.000 0.907 335 N CB 1.952 40.409 38.487 -0.050 0.000 1.161 335 N HN -0.129 nan 8.380 nan 0.000 0.488 336 V N 4.623 124.477 119.914 -0.099 0.000 2.370 336 V HA -0.330 3.791 4.120 0.000 0.000 0.252 336 V C 2.226 178.098 176.094 -0.370 0.000 1.068 336 V CA 2.142 64.347 62.300 -0.158 0.000 1.061 336 V CB -0.615 31.133 31.823 -0.124 0.000 0.656 336 V HN 0.765 nan 8.190 nan 0.000 0.455 337 K N -0.069 120.115 120.400 -0.361 0.000 2.360 337 K HA -0.161 4.159 4.320 0.000 0.000 0.201 337 K C 1.209 177.623 176.600 -0.310 0.000 1.046 337 K CA 1.742 57.733 56.287 -0.494 0.000 0.945 337 K CB -0.267 32.101 32.500 -0.219 0.000 0.750 337 K HN 0.419 nan 8.250 nan 0.000 0.464 338 D N 0.912 121.212 120.400 -0.167 0.000 2.354 338 D HA 0.007 4.647 4.640 0.000 0.000 0.209 338 D C 0.216 176.514 176.300 -0.004 0.000 1.015 338 D CA -0.009 53.959 54.000 -0.053 0.000 0.867 338 D CB 0.105 40.886 40.800 -0.033 0.000 0.933 338 D HN 0.120 nan 8.370 nan 0.000 0.520 339 L N 2.251 123.461 121.223 -0.022 0.000 2.534 339 L HA 0.077 4.417 4.340 0.000 0.000 0.271 339 L C 0.417 177.393 176.870 0.176 0.000 1.178 339 L CA 0.627 55.509 54.840 0.070 0.000 0.907 339 L CB 0.376 42.474 42.059 0.066 0.000 1.164 339 L HN -0.065 nan 8.230 nan 0.000 0.482 340 T N 1.767 116.379 114.554 0.098 0.000 2.907 340 T HA 0.574 4.924 4.350 0.000 0.000 0.290 340 T C -2.131 172.595 174.700 0.043 0.000 1.066 340 T CA -1.733 60.410 62.100 0.073 0.000 1.012 340 T CB 1.647 70.544 68.868 0.050 0.000 1.184 340 T HN 0.335 nan 8.240 nan 0.000 0.522 341 P HA -0.002 nan 4.420 nan 0.000 0.219 341 P C 0.906 178.219 177.300 0.022 0.000 1.146 341 P CA 0.875 63.984 63.100 0.015 0.000 0.808 341 P CB 0.030 31.730 31.700 -0.000 0.000 0.779 342 E N -0.917 119.296 120.200 0.021 0.000 2.418 342 E HA -0.111 4.239 4.350 0.000 0.000 0.197 342 E C 1.242 177.858 176.600 0.027 0.000 1.026 342 E CA 0.770 57.182 56.400 0.021 0.000 0.862 342 E CB -0.683 29.027 29.700 0.016 0.000 0.799 342 E HN 0.303 nan 8.360 nan 0.000 0.518 343 D N -0.385 120.034 120.400 0.032 0.000 2.354 343 D HA 0.031 4.671 4.640 0.000 0.000 0.209 343 D C 0.316 176.642 176.300 0.043 0.000 1.015 343 D CA 0.115 54.136 54.000 0.035 0.000 0.867 343 D CB 0.313 41.135 40.800 0.037 0.000 0.933 343 D HN 0.194 nan 8.370 nan 0.000 0.520 344 L N 0.840 122.091 121.223 0.047 0.000 2.426 344 L HA 0.299 4.639 4.340 0.000 0.000 0.271 344 L C 1.290 178.205 176.870 0.074 0.000 1.169 344 L CA -0.241 54.635 54.840 0.060 0.000 0.836 344 L CB 0.807 42.900 42.059 0.058 0.000 1.112 344 L HN -0.107 nan 8.230 nan 0.000 0.465 345 G N 0.865 109.717 108.800 0.087 0.000 2.601 345 G HA2 0.447 4.407 3.960 0.000 0.000 0.317 345 G HA3 0.447 4.407 3.960 0.000 0.000 0.317 345 G C -1.988 173.005 174.900 0.155 0.000 1.246 345 G CA -0.268 44.894 45.100 0.103 0.000 1.012 345 G HN 0.481 nan 8.290 nan 0.000 0.494 346 Y N -0.575 119.743 120.300 0.030 0.000 2.499 346 Y HA 0.669 5.219 4.550 0.000 0.000 0.347 346 Y C -0.409 175.513 175.900 0.036 0.000 0.987 346 Y CA -0.835 57.284 58.100 0.032 0.000 1.044 346 Y CB 2.216 40.689 38.460 0.022 0.000 1.245 346 Y HN 0.851 nan 8.280 nan 0.000 0.461 347 A N 4.582 126.729 122.820 -1.120 0.000 2.488 347 A HA 0.330 4.650 4.320 0.000 0.000 0.295 347 A C 0.099 177.116 177.584 -0.946 0.000 1.045 347 A CA -0.437 51.158 52.037 -0.738 0.000 0.703 347 A CB 1.427 20.262 19.000 -0.274 0.000 1.271 347 A HN 0.959 nan 8.150 nan 0.000 0.400 348 E N 0.705 120.617 120.200 -0.480 0.000 2.153 348 E HA 0.030 4.380 4.350 0.000 0.000 0.194 348 E C -0.208 176.325 176.600 -0.112 0.000 0.988 348 E CA 1.523 57.826 56.400 -0.161 0.000 0.811 348 E CB 0.138 29.863 29.700 0.042 0.000 0.746 348 E HN 0.513 nan 8.360 nan 0.000 0.466 349 V N 0.540 120.394 119.914 -0.101 0.000 2.817 349 V HA 0.238 4.358 4.120 0.000 0.000 0.303 349 V C -1.052 175.038 176.094 -0.007 0.000 1.151 349 V CA -0.856 61.419 62.300 -0.041 0.000 0.929 349 V CB 2.170 33.986 31.823 -0.010 0.000 1.030 349 V HN -0.172 nan 8.190 nan 0.000 0.427 350 V N 4.021 123.943 119.914 0.013 0.000 2.444 350 V HA 0.688 4.808 4.120 0.000 0.000 0.294 350 V C -0.396 175.741 176.094 0.073 0.000 1.022 350 V CA -0.289 62.055 62.300 0.073 0.000 0.850 350 V CB 1.704 33.573 31.823 0.077 0.000 0.992 350 V HN 0.983 nan 8.190 nan 0.000 0.426 351 E N 3.271 123.542 120.200 0.120 0.000 2.352 351 E HA 0.389 4.739 4.350 0.000 0.000 0.280 351 E C -1.260 175.429 176.600 0.147 0.000 0.930 351 E CA -0.668 55.785 56.400 0.087 0.000 0.765 351 E CB 2.278 31.989 29.700 0.019 0.000 1.219 351 E HN 0.732 nan 8.360 nan 0.000 0.434 352 E N 3.958 124.219 120.200 0.102 0.000 2.167 352 E HA 0.298 4.649 4.350 0.000 0.000 0.284 352 E C -0.855 175.798 176.600 0.089 0.000 1.016 352 E CA -0.255 56.220 56.400 0.125 0.000 0.817 352 E CB 0.777 30.525 29.700 0.079 0.000 1.080 352 E HN 0.357 nan 8.360 nan 0.000 0.397 353 R N 3.274 123.858 120.500 0.139 0.000 2.888 353 R HA 0.443 4.783 4.340 0.000 0.000 0.266 353 R C -0.684 175.684 176.300 0.113 0.000 1.020 353 R CA -0.982 55.149 56.100 0.051 0.000 0.963 353 R CB 1.880 32.102 30.300 -0.130 0.000 1.197 353 R HN 0.320 nan 8.270 nan 0.000 0.481 354 K N 1.644 122.080 120.400 0.060 0.000 2.185 354 K HA 0.421 4.741 4.320 0.000 0.000 0.269 354 K C -1.156 175.488 176.600 0.074 0.000 0.987 354 K CA -0.664 55.664 56.287 0.068 0.000 0.865 354 K CB 1.160 33.683 32.500 0.037 0.000 1.090 354 K HN 0.150 nan 8.250 nan 0.000 0.450 355 L N 1.801 123.079 121.223 0.091 0.000 2.376 355 L HA 0.345 4.685 4.340 0.000 0.000 0.275 355 L C 0.140 177.042 176.870 0.053 0.000 0.987 355 L CA -0.041 54.849 54.840 0.083 0.000 0.828 355 L CB 1.720 43.853 42.059 0.124 0.000 1.249 355 L HN 0.852 nan 8.230 nan 0.000 0.409 356 A N 2.975 125.818 122.820 0.038 0.000 2.791 356 A HA 0.069 4.390 4.320 0.000 0.000 0.292 356 A C 1.407 179.005 177.584 0.024 0.000 1.487 356 A CA 1.143 53.196 52.037 0.026 0.000 0.760 356 A CB -2.033 16.981 19.000 0.024 0.000 1.031 356 A HN 2.016 nan 8.150 nan 0.000 0.503 357 G N -1.631 107.183 108.800 0.025 0.000 2.187 357 G HA2 -0.203 3.757 3.960 0.000 0.000 0.261 357 G HA3 -0.203 3.757 3.960 0.000 0.000 0.261 357 G C -0.262 174.654 174.900 0.025 0.000 1.000 357 G CA 0.868 45.981 45.100 0.022 0.000 0.718 357 G HN 1.490 nan 8.290 nan 0.000 0.519 358 E N 0.797 121.018 120.200 0.035 0.000 2.165 358 E HA 0.279 4.629 4.350 0.000 0.000 0.266 358 E C -0.246 176.387 176.600 0.055 0.000 0.889 358 E CA -0.986 55.436 56.400 0.037 0.000 0.756 358 E CB 0.940 30.659 29.700 0.032 0.000 1.131 358 E HN 0.238 nan 8.360 nan 0.000 0.411 359 N N 3.124 121.855 118.700 0.051 0.000 2.458 359 N HA 0.172 4.912 4.740 0.000 0.000 0.258 359 N C 0.021 175.580 175.510 0.082 0.000 1.219 359 N CA 0.649 53.740 53.050 0.068 0.000 0.902 359 N CB 0.726 39.244 38.487 0.052 0.000 1.076 359 N HN 0.441 nan 8.380 nan 0.000 0.455 360 M N 1.449 121.126 119.600 0.129 0.000 2.622 360 M HA 0.489 4.969 4.480 0.000 0.000 0.276 360 M C -0.840 175.571 176.300 0.185 0.000 1.265 360 M CA -0.680 54.689 55.300 0.115 0.000 0.850 360 M CB 2.240 34.889 32.600 0.080 0.000 1.720 360 M HN 0.180 nan 8.290 nan 0.000 0.465 361 I N 1.316 121.950 120.570 0.106 0.000 2.406 361 I HA 0.425 4.595 4.170 0.000 0.000 0.290 361 I C -1.470 174.704 176.117 0.093 0.000 0.999 361 I CA -0.426 60.984 61.300 0.184 0.000 1.124 361 I CB 1.372 39.491 38.000 0.199 0.000 1.289 361 I HN 0.413 nan 8.210 nan 0.000 0.441 362 F N 5.630 125.612 119.950 0.054 0.000 2.436 362 F HA 0.447 4.974 4.527 0.000 0.000 0.340 362 F C 0.084 175.903 175.800 0.033 0.000 1.113 362 F CA -0.776 57.241 58.000 0.028 0.000 1.022 362 F CB 1.748 40.756 39.000 0.014 0.000 1.128 362 F HN -0.018 nan 8.300 nan 0.000 0.466 363 V N 4.117 124.108 119.914 0.129 0.000 2.305 363 V HA 0.315 4.435 4.120 0.000 0.000 0.275 363 V C -0.475 175.647 176.094 0.046 0.000 1.020 363 V CA -0.623 61.719 62.300 0.069 0.000 0.811 363 V CB 0.605 32.422 31.823 -0.010 0.000 1.031 363 V HN 0.792 nan 8.190 nan 0.000 0.439 364 E N 2.454 122.691 120.200 0.062 0.000 2.320 364 E HA 0.757 5.107 4.350 0.000 0.000 0.264 364 E C 0.634 177.241 176.600 0.013 0.000 0.923 364 E CA -0.708 55.724 56.400 0.053 0.000 0.796 364 E CB 1.988 31.750 29.700 0.102 0.000 1.262 364 E HN 0.657 nan 8.360 nan 0.000 0.428 365 G N 0.338 109.156 108.800 0.030 0.000 2.198 365 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 365 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 365 G C 0.094 175.036 174.900 0.070 0.000 1.042 365 G CA -0.012 45.116 45.100 0.046 0.000 0.791 365 G HN 0.575 nan 8.290 nan 0.000 0.502 366 C N 0.290 119.622 119.300 0.053 0.000 2.657 366 C HA 0.425 4.885 4.460 0.000 0.000 0.404 366 C C 2.162 177.232 174.990 0.133 0.000 1.291 366 C CA 0.084 59.158 59.018 0.093 0.000 2.218 366 C CB 1.511 29.277 27.740 0.043 0.000 2.687 366 C HN 0.651 nan 8.230 nan 0.000 0.634 367 K N 1.888 122.397 120.400 0.182 0.000 1.975 367 K HA -0.131 4.189 4.320 0.000 0.000 0.224 367 K C 0.686 177.324 176.600 0.064 0.000 1.038 367 K CA 1.690 58.045 56.287 0.113 0.000 1.009 367 K CB -0.347 32.204 32.500 0.085 0.000 0.750 367 K HN 0.818 nan 8.250 nan 0.000 0.445 368 N N 1.461 120.191 118.700 0.050 0.000 2.918 368 N HA 0.234 4.974 4.740 0.000 0.000 0.270 368 N C -2.640 172.886 175.510 0.027 0.000 1.536 368 N CA -1.493 51.577 53.050 0.033 0.000 0.877 368 N CB 1.028 39.530 38.487 0.025 0.000 1.190 368 N HN 0.112 nan 8.380 nan 0.000 0.492 369 P HA -0.011 nan 4.420 nan 0.000 0.262 369 P C -0.198 177.101 177.300 -0.003 0.000 1.182 369 P CA -0.003 63.102 63.100 0.007 0.000 0.761 369 P CB 1.050 32.749 31.700 -0.002 0.000 0.795 370 K N 0.949 121.344 120.400 -0.010 0.000 2.374 370 K HA 0.345 4.665 4.320 0.000 0.000 0.196 370 K C 0.763 177.345 176.600 -0.030 0.000 1.023 370 K CA 0.007 56.287 56.287 -0.012 0.000 1.103 370 K CB 0.342 32.837 32.500 -0.008 0.000 0.848 370 K HN 0.563 nan 8.250 nan 0.000 0.528 371 A N 0.196 122.990 122.820 -0.044 0.000 2.475 371 A HA 0.735 5.055 4.320 0.000 0.000 0.301 371 A C -1.080 176.458 177.584 -0.077 0.000 1.059 371 A CA -0.596 51.400 52.037 -0.069 0.000 0.710 371 A CB 1.897 20.850 19.000 -0.078 0.000 1.288 371 A HN -0.088 nan 8.150 nan 0.000 0.408 372 V N 0.169 120.021 119.914 -0.104 0.000 3.159 372 V HA 0.779 4.900 4.120 0.000 0.000 0.308 372 V C -0.650 175.355 176.094 -0.148 0.000 1.190 372 V CA -0.327 61.911 62.300 -0.103 0.000 1.037 372 V CB 2.899 34.672 31.823 -0.084 0.000 1.060 372 V HN 1.043 nan 8.190 nan 0.000 0.437 373 T N 3.917 118.396 114.554 -0.126 0.000 2.848 373 T HA 0.613 4.964 4.350 0.000 0.000 0.285 373 T C -0.705 173.938 174.700 -0.096 0.000 0.995 373 T CA -0.140 61.873 62.100 -0.146 0.000 0.970 373 T CB 1.201 69.988 68.868 -0.135 0.000 0.976 373 T HN 0.400 nan 8.240 nan 0.000 0.441 374 I N 3.469 123.980 120.570 -0.098 0.000 2.328 374 I HA 0.339 4.509 4.170 0.000 0.000 0.287 374 I C -0.273 175.898 176.117 0.090 0.000 1.012 374 I CA -0.686 60.636 61.300 0.036 0.000 1.195 374 I CB 1.137 39.233 38.000 0.159 0.000 1.350 374 I HN 0.342 nan 8.210 nan 0.000 0.464 375 L N 7.995 129.256 121.223 0.065 0.000 2.281 375 L HA 0.486 4.826 4.340 0.000 0.000 0.285 375 L C -0.441 176.472 176.870 0.073 0.000 1.074 375 L CA -0.378 54.498 54.840 0.060 0.000 0.817 375 L CB 0.742 42.845 42.059 0.074 0.000 1.168 375 L HN 0.523 nan 8.230 nan 0.000 0.434 376 I N 5.456 126.065 120.570 0.066 0.000 2.359 376 I HA 0.423 4.593 4.170 0.000 0.000 0.294 376 I C -0.035 176.093 176.117 0.019 0.000 0.987 376 I CA -0.727 60.596 61.300 0.037 0.000 1.225 376 I CB 1.292 39.306 38.000 0.023 0.000 1.366 376 I HN 0.533 nan 8.210 nan 0.000 0.466 377 R N 3.591 124.091 120.500 0.000 0.000 2.892 377 R HA 0.895 5.235 4.340 0.000 0.000 0.265 377 R C -0.375 175.910 176.300 -0.024 0.000 1.025 377 R CA -1.053 55.044 56.100 -0.004 0.000 0.982 377 R CB 2.081 32.380 30.300 -0.001 0.000 1.185 377 R HN 0.878 nan 8.270 nan 0.000 0.484 378 G N -1.530 107.260 108.800 -0.016 0.000 2.411 378 G HA2 0.300 4.260 3.960 0.000 0.000 0.295 378 G HA3 0.300 4.260 3.960 0.000 0.000 0.295 378 G C 0.269 175.169 174.900 0.001 0.000 1.542 378 G CA -0.243 44.848 45.100 -0.016 0.000 0.814 378 G HN 0.508 nan 8.290 nan 0.000 0.557 379 G N -1.115 107.690 108.800 0.009 0.000 2.498 379 G HA2 0.347 4.307 3.960 0.000 0.000 0.219 379 G HA3 0.347 4.307 3.960 0.000 0.000 0.219 379 G C 0.739 175.653 174.900 0.023 0.000 1.119 379 G CA 1.906 47.016 45.100 0.018 0.000 0.766 379 G HN 1.115 nan 8.290 nan 0.000 0.552 380 T N -2.154 112.416 114.554 0.027 0.000 2.802 380 T HA 0.375 4.725 4.350 0.000 0.000 0.311 380 T C 0.373 175.086 174.700 0.022 0.000 1.405 380 T CA -0.506 61.616 62.100 0.036 0.000 1.016 380 T CB 1.656 70.564 68.868 0.067 0.000 1.352 380 T HN -0.036 nan 8.240 nan 0.000 0.498 381 E N 0.200 120.399 120.200 -0.002 0.000 2.077 381 E HA -0.045 4.306 4.350 0.000 0.000 0.193 381 E C 1.516 178.055 176.600 -0.101 0.000 0.989 381 E CA 1.679 58.036 56.400 -0.072 0.000 0.800 381 E CB -0.144 29.474 29.700 -0.137 0.000 0.746 381 E HN 0.636 nan 8.360 nan 0.000 0.452 382 H N -0.941 118.126 119.070 -0.005 0.000 2.353 382 H HA -0.051 4.505 4.556 0.000 0.000 0.300 382 H C 1.974 177.296 175.328 -0.010 0.000 1.090 382 H CA 1.351 57.395 56.048 -0.008 0.000 1.327 382 H CB -0.028 29.732 29.762 -0.005 0.000 1.383 382 H HN -0.027 nan 8.280 nan 0.000 0.508 383 V N 0.592 120.573 119.914 0.112 0.000 2.407 383 V HA -0.234 3.886 4.120 0.000 0.000 0.248 383 V C 2.208 178.315 176.094 0.022 0.000 1.055 383 V CA 1.724 64.059 62.300 0.059 0.000 1.049 383 V CB -0.368 31.483 31.823 0.048 0.000 0.662 383 V HN 0.435 nan 8.190 nan 0.000 0.455 384 I N -0.273 120.299 120.570 0.003 0.000 2.439 384 I HA -0.145 4.025 4.170 0.000 0.000 0.251 384 I C 2.056 178.149 176.117 -0.041 0.000 1.139 384 I CA 1.084 62.371 61.300 -0.021 0.000 1.438 384 I CB -0.331 37.655 38.000 -0.022 0.000 1.085 384 I HN 0.315 nan 8.210 nan 0.000 0.427 385 D N 0.543 120.920 120.400 -0.038 0.000 2.183 385 D HA -0.192 4.448 4.640 0.000 0.000 0.203 385 D C 2.013 178.284 176.300 -0.048 0.000 0.969 385 D CA 1.001 54.970 54.000 -0.051 0.000 0.842 385 D CB -0.032 40.737 40.800 -0.051 0.000 0.957 385 D HN 0.228 nan 8.370 nan 0.000 0.484 386 E N 0.281 120.469 120.200 -0.019 0.000 2.216 386 E HA -0.050 4.300 4.350 0.000 0.000 0.192 386 E C 1.882 178.454 176.600 -0.047 0.000 0.988 386 E CA 0.315 56.704 56.400 -0.020 0.000 0.834 386 E CB 0.011 29.718 29.700 0.012 0.000 0.772 386 E HN -0.016 nan 8.360 nan 0.000 0.479 387 V N 0.816 120.698 119.914 -0.052 0.000 2.379 387 V HA -0.184 3.936 4.120 0.000 0.000 0.245 387 V C 2.364 178.365 176.094 -0.156 0.000 1.044 387 V CA 2.027 64.285 62.300 -0.070 0.000 1.036 387 V CB -0.459 31.334 31.823 -0.050 0.000 0.664 387 V HN 0.391 nan 8.190 nan 0.000 0.453 388 E N 0.220 120.299 120.200 -0.200 0.000 2.118 388 E HA -0.250 4.100 4.350 0.000 0.000 0.195 388 E C 2.437 178.802 176.600 -0.392 0.000 0.992 388 E CA 1.326 57.492 56.400 -0.390 0.000 0.804 388 E CB -0.038 29.486 29.700 -0.293 0.000 0.741 388 E HN 0.504 nan 8.360 nan 0.000 0.458 389 R N -0.235 120.139 120.500 -0.210 0.000 2.092 389 R HA -0.059 4.281 4.340 0.000 0.000 0.231 389 R C 2.386 178.607 176.300 -0.132 0.000 1.119 389 R CA 0.997 57.007 56.100 -0.149 0.000 0.970 389 R CB -0.210 30.042 30.300 -0.081 0.000 0.864 389 R HN 0.168 nan 8.270 nan 0.000 0.440 390 A N 0.954 123.706 122.820 -0.114 0.000 1.969 390 A HA -0.088 4.232 4.320 0.000 0.000 0.218 390 A C 2.094 179.625 177.584 -0.090 0.000 1.169 390 A CA 1.010 53.004 52.037 -0.073 0.000 0.635 390 A CB -0.340 18.634 19.000 -0.042 0.000 0.810 390 A HN 0.174 nan 8.150 nan 0.000 0.445 391 L N -1.139 119.976 121.223 -0.179 0.000 2.179 391 L HA -0.120 4.221 4.340 0.000 0.000 0.208 391 L C 2.497 179.285 176.870 -0.137 0.000 1.096 391 L CA 1.159 55.894 54.840 -0.175 0.000 0.779 391 L CB -0.428 41.423 42.059 -0.346 0.000 0.922 391 L HN 0.446 nan 8.230 nan 0.000 0.443 392 E N 0.064 120.107 120.200 -0.261 0.000 2.110 392 E HA -0.225 4.125 4.350 0.000 0.000 0.193 392 E C 1.618 178.226 176.600 0.012 0.000 0.988 392 E CA 1.335 57.691 56.400 -0.074 0.000 0.804 392 E CB 0.107 29.746 29.700 -0.102 0.000 0.745 392 E HN 0.448 nan 8.360 nan 0.000 0.458 393 D N -0.040 120.349 120.400 -0.019 0.000 2.137 393 D HA -0.070 4.570 4.640 0.000 0.000 0.202 393 D C 1.891 178.203 176.300 0.020 0.000 0.970 393 D CA 1.073 55.076 54.000 0.004 0.000 0.837 393 D CB -0.255 40.540 40.800 -0.007 0.000 0.981 393 D HN 0.144 nan 8.370 nan 0.000 0.475 394 A N 0.951 123.784 122.820 0.021 0.000 1.883 394 A HA -0.169 4.151 4.320 0.000 0.000 0.217 394 A C 2.537 180.152 177.584 0.051 0.000 1.186 394 A CA 1.371 53.428 52.037 0.034 0.000 0.624 394 A CB -0.925 18.098 19.000 0.038 0.000 0.822 394 A HN 0.144 nan 8.150 nan 0.000 0.444 395 V N 0.072 120.039 119.914 0.088 0.000 2.407 395 V HA -0.261 3.859 4.120 0.000 0.000 0.248 395 V C 2.489 178.621 176.094 0.062 0.000 1.055 395 V CA 2.360 64.720 62.300 0.099 0.000 1.049 395 V CB -0.558 31.383 31.823 0.197 0.000 0.662 395 V HN 0.551 nan 8.190 nan 0.000 0.455 396 K N -0.071 120.364 120.400 0.058 0.000 2.103 396 K HA -0.101 4.219 4.320 0.000 0.000 0.204 396 K C 2.037 178.653 176.600 0.026 0.000 1.052 396 K CA 1.613 57.923 56.287 0.040 0.000 0.945 396 K CB -0.323 32.199 32.500 0.036 0.000 0.722 396 K HN 0.568 nan 8.250 nan 0.000 0.443 397 V N -1.629 118.299 119.914 0.023 0.000 2.667 397 V HA -0.122 3.998 4.120 0.000 0.000 0.252 397 V C 2.079 178.179 176.094 0.010 0.000 1.065 397 V CA 1.113 63.422 62.300 0.016 0.000 1.083 397 V CB -0.580 31.252 31.823 0.015 0.000 0.692 397 V HN -0.062 nan 8.190 nan 0.000 0.468 398 V N 0.868 120.788 119.914 0.010 0.000 2.379 398 V HA -0.208 3.912 4.120 0.000 0.000 0.245 398 V C 2.695 178.780 176.094 -0.016 0.000 1.044 398 V CA 2.489 64.785 62.300 -0.006 0.000 1.036 398 V CB -0.710 31.109 31.823 -0.007 0.000 0.664 398 V HN 0.709 nan 8.190 nan 0.000 0.453 399 K N 0.109 120.507 120.400 -0.003 0.000 2.057 399 K HA -0.253 4.067 4.320 0.000 0.000 0.207 399 K C 1.801 178.405 176.600 0.006 0.000 1.049 399 K CA 2.078 58.363 56.287 -0.002 0.000 0.931 399 K CB -0.335 32.172 32.500 0.012 0.000 0.714 399 K HN 0.396 nan 8.250 nan 0.000 0.440 400 D N 0.643 121.050 120.400 0.011 0.000 2.116 400 D HA -0.167 4.473 4.640 0.000 0.000 0.193 400 D C 1.988 178.297 176.300 0.015 0.000 0.998 400 D CA 1.525 55.534 54.000 0.015 0.000 0.836 400 D CB -0.270 40.538 40.800 0.014 0.000 0.951 400 D HN 0.110 nan 8.370 nan 0.000 0.449 401 V N 0.719 120.636 119.914 0.006 0.000 2.515 401 V HA -0.169 3.952 4.120 0.000 0.000 0.250 401 V C 2.413 178.509 176.094 0.005 0.000 1.058 401 V CA 1.091 63.394 62.300 0.005 0.000 1.064 401 V CB -0.350 31.470 31.823 -0.004 0.000 0.675 401 V HN 0.223 nan 8.190 nan 0.000 0.461 402 M N -0.701 118.890 119.600 -0.016 0.000 2.394 402 M HA -0.086 4.394 4.480 0.000 0.000 0.264 402 M C 1.950 178.302 176.300 0.087 0.000 1.073 402 M CA 1.438 56.721 55.300 -0.030 0.000 1.111 402 M CB -0.196 32.311 32.600 -0.155 0.000 1.401 402 M HN 0.417 nan 8.290 nan 0.000 0.448 403 E N -0.143 120.098 120.200 0.068 0.000 2.364 403 E HA -0.016 4.334 4.350 0.000 0.000 0.196 403 E C -0.486 176.152 176.600 0.062 0.000 0.990 403 E CA 0.388 56.837 56.400 0.082 0.000 0.886 403 E CB 0.491 30.226 29.700 0.058 0.000 0.866 403 E HN 0.378 nan 8.360 nan 0.000 0.493 404 D N 0.498 120.927 120.400 0.047 0.000 2.440 404 D HA 0.153 4.793 4.640 0.000 0.000 0.252 404 D C -0.146 176.176 176.300 0.037 0.000 1.180 404 D CA -0.313 53.710 54.000 0.037 0.000 0.894 404 D CB 1.317 42.132 40.800 0.026 0.000 1.111 404 D HN 0.014 nan 8.370 nan 0.000 0.544 405 G N 1.074 109.900 108.800 0.044 0.000 3.180 405 G HA2 0.430 4.390 3.960 0.000 0.000 0.252 405 G HA3 0.430 4.390 3.960 0.000 0.000 0.252 405 G C 0.104 175.020 174.900 0.027 0.000 0.871 405 G CA -0.200 44.924 45.100 0.040 0.000 1.979 405 G HN 0.512 nan 8.290 nan 0.000 0.624 406 A N -0.012 122.821 122.820 0.022 0.000 2.486 406 A HA 0.841 5.161 4.320 0.000 0.000 0.300 406 A C -0.454 177.139 177.584 0.015 0.000 1.048 406 A CA -0.295 51.752 52.037 0.017 0.000 0.696 406 A CB 1.936 20.946 19.000 0.016 0.000 1.278 406 A HN 1.349 nan 8.150 nan 0.000 0.405 407 V N -0.610 119.312 119.914 0.014 0.000 3.182 407 V HA 0.939 5.059 4.120 0.000 0.000 0.308 407 V C -1.029 175.074 176.094 0.016 0.000 1.240 407 V CA -0.928 61.380 62.300 0.014 0.000 1.063 407 V CB 1.621 33.452 31.823 0.013 0.000 1.076 407 V HN 0.935 nan 8.190 nan 0.000 0.446 408 L N 0.844 122.078 121.223 0.017 0.000 2.469 408 L HA 0.651 4.992 4.340 0.000 0.000 0.256 408 L C -2.702 174.183 176.870 0.024 0.000 1.006 408 L CA -1.841 53.012 54.840 0.022 0.000 0.832 408 L CB 3.185 45.257 42.059 0.023 0.000 1.421 408 L HN 0.545 nan 8.230 nan 0.000 0.410 409 P HA 0.208 nan 4.420 nan 0.000 0.272 409 P C -0.949 176.371 177.300 0.033 0.000 1.240 409 P CA -0.119 63.001 63.100 0.033 0.000 0.791 409 P CB 1.553 33.278 31.700 0.042 0.000 0.978 410 A N 0.831 123.669 122.820 0.030 0.000 3.687 410 A HA 0.680 5.000 4.320 0.000 0.000 0.164 410 A C 1.149 178.747 177.584 0.023 0.000 1.564 410 A CA -0.108 51.943 52.037 0.023 0.000 0.896 410 A CB -0.773 18.239 19.000 0.021 0.000 1.731 410 A HN 0.679 nan 8.150 nan 0.000 0.607 411 G N -2.030 106.776 108.800 0.010 0.000 2.258 411 G HA2 0.184 4.144 3.960 0.000 0.000 0.274 411 G HA3 0.184 4.144 3.960 0.000 0.000 0.274 411 G C 1.666 176.565 174.900 -0.002 0.000 1.021 411 G CA 1.397 46.497 45.100 -0.000 0.000 0.798 411 G HN 2.621 nan 8.290 nan 0.000 0.507 412 G N -1.793 107.004 108.800 -0.005 0.000 2.179 412 G HA2 0.059 4.019 3.960 0.000 0.000 0.260 412 G HA3 0.059 4.019 3.960 0.000 0.000 0.260 412 G C 1.630 176.525 174.900 -0.008 0.000 0.977 412 G CA 1.301 46.392 45.100 -0.016 0.000 0.641 412 G HN 2.041 nan 8.290 nan 0.000 0.533 413 A N 0.949 123.790 122.820 0.035 0.000 1.877 413 A HA 0.206 4.526 4.320 0.000 0.000 0.216 413 A C 0.639 178.261 177.584 0.063 0.000 1.186 413 A CA 2.511 54.608 52.037 0.099 0.000 0.620 413 A CB -1.005 18.084 19.000 0.148 0.000 0.822 413 A HN 0.469 nan 8.150 nan 0.000 0.443 414 P HA -0.164 nan 4.420 nan 0.000 0.215 414 P C 1.175 178.467 177.300 -0.013 0.000 1.157 414 P CA 1.451 64.568 63.100 0.027 0.000 0.863 414 P CB -0.122 31.592 31.700 0.023 0.000 0.787 415 E N -0.144 120.038 120.200 -0.029 0.000 2.150 415 E HA -0.126 4.224 4.350 0.000 0.000 0.193 415 E C 2.133 178.685 176.600 -0.081 0.000 0.985 415 E CA 1.037 57.412 56.400 -0.041 0.000 0.814 415 E CB -1.240 28.433 29.700 -0.045 0.000 0.752 415 E HN 0.324 nan 8.360 nan 0.000 0.466 416 I N 1.271 121.753 120.570 -0.148 0.000 2.252 416 I HA -0.234 3.936 4.170 0.000 0.000 0.245 416 I C 2.662 178.580 176.117 -0.331 0.000 1.102 416 I CA 1.389 62.529 61.300 -0.266 0.000 1.385 416 I CB -0.153 37.599 38.000 -0.414 0.000 1.064 416 I HN 0.069 nan 8.210 nan 0.000 0.414 417 E N 1.488 121.494 120.200 -0.322 0.000 2.118 417 E HA -0.207 4.143 4.350 0.000 0.000 0.195 417 E C 2.113 178.694 176.600 -0.032 0.000 0.992 417 E CA 1.502 57.839 56.400 -0.105 0.000 0.804 417 E CB -0.263 29.497 29.700 0.100 0.000 0.741 417 E HN 0.426 nan 8.360 nan 0.000 0.458 418 L N -0.405 120.803 121.223 -0.026 0.000 2.109 418 L HA -0.038 4.302 4.340 0.000 0.000 0.207 418 L C 2.490 179.376 176.870 0.027 0.000 1.086 418 L CA 0.913 55.761 54.840 0.013 0.000 0.760 418 L CB -0.537 41.544 42.059 0.036 0.000 0.910 418 L HN 0.234 nan 8.230 nan 0.000 0.437 419 A N 0.503 123.323 122.820 0.001 0.000 1.877 419 A HA -0.186 4.134 4.320 0.000 0.000 0.216 419 A C 2.193 179.787 177.584 0.016 0.000 1.186 419 A CA 1.503 53.549 52.037 0.016 0.000 0.620 419 A CB -0.639 18.349 19.000 -0.020 0.000 0.822 419 A HN 0.316 nan 8.150 nan 0.000 0.443 420 I N -0.902 119.661 120.570 -0.013 0.000 2.127 420 I HA -0.288 3.882 4.170 0.000 0.000 0.241 420 I C 2.845 178.984 176.117 0.036 0.000 1.075 420 I CA 1.553 62.858 61.300 0.009 0.000 1.334 420 I CB -0.371 37.633 38.000 0.007 0.000 1.040 420 I HN 0.289 nan 8.210 nan 0.000 0.405 421 R N 0.475 120.997 120.500 0.038 0.000 2.075 421 R HA -0.082 4.258 4.340 0.000 0.000 0.232 421 R C 2.327 178.673 176.300 0.078 0.000 1.126 421 R CA 1.170 57.300 56.100 0.049 0.000 0.963 421 R CB -0.366 29.952 30.300 0.030 0.000 0.858 421 R HN 0.372 nan 8.270 nan 0.000 0.435 422 L N 0.369 121.640 121.223 0.080 0.000 2.141 422 L HA -0.168 4.172 4.340 0.000 0.000 0.209 422 L C 1.964 178.916 176.870 0.138 0.000 1.094 422 L CA 1.197 56.116 54.840 0.131 0.000 0.763 422 L CB -0.396 41.729 42.059 0.110 0.000 0.908 422 L HN 0.173 nan 8.230 nan 0.000 0.437 423 D N -0.228 120.228 120.400 0.093 0.000 2.144 423 D HA -0.199 4.441 4.640 0.000 0.000 0.200 423 D C 2.139 178.476 176.300 0.062 0.000 0.978 423 D CA 0.906 54.948 54.000 0.069 0.000 0.833 423 D CB 0.272 41.102 40.800 0.051 0.000 0.961 423 D HN 0.113 nan 8.370 nan 0.000 0.470 424 E N -0.678 119.569 120.200 0.078 0.000 2.107 424 E HA -0.165 4.185 4.350 0.000 0.000 0.191 424 E C 1.783 178.446 176.600 0.104 0.000 0.982 424 E CA 0.488 56.932 56.400 0.074 0.000 0.809 424 E CB -0.441 29.302 29.700 0.073 0.000 0.756 424 E HN 0.493 nan 8.360 nan 0.000 0.459 425 Y N 1.431 121.728 120.300 -0.004 0.000 2.293 425 Y HA -0.121 4.429 4.550 0.000 0.000 0.291 425 Y C 2.115 178.009 175.900 -0.010 0.000 1.137 425 Y CA 1.141 59.234 58.100 -0.013 0.000 1.202 425 Y CB -0.497 37.946 38.460 -0.028 0.000 0.990 425 Y HN -0.016 nan 8.280 nan 0.000 0.537 426 A N 0.545 123.291 122.820 -0.124 0.000 1.908 426 A HA -0.229 4.091 4.320 0.000 0.000 0.218 426 A C 2.268 179.754 177.584 -0.162 0.000 1.181 426 A CA 2.035 53.951 52.037 -0.201 0.000 0.627 426 A CB -0.601 18.363 19.000 -0.059 0.000 0.818 426 A HN 0.520 nan 8.150 nan 0.000 0.445 427 K N -0.312 120.041 120.400 -0.078 0.000 2.097 427 K HA -0.215 4.105 4.320 0.000 0.000 0.206 427 K C 2.263 178.823 176.600 -0.067 0.000 1.049 427 K CA 1.687 57.943 56.287 -0.052 0.000 0.933 427 K CB -0.176 32.316 32.500 -0.013 0.000 0.717 427 K HN 0.878 nan 8.250 nan 0.000 0.442 428 Q N 0.021 119.773 119.800 -0.080 0.000 2.435 428 Q HA -0.008 4.332 4.340 0.000 0.000 0.207 428 Q C 1.542 177.470 176.000 -0.121 0.000 0.956 428 Q CA 0.701 56.467 55.803 -0.062 0.000 0.917 428 Q CB 0.263 29.009 28.738 0.013 0.000 0.997 428 Q HN 0.009 nan 8.270 nan 0.000 0.497 429 V N 0.617 120.390 119.914 -0.236 0.000 2.426 429 V HA 0.176 4.296 4.120 0.000 0.000 0.242 429 V C 1.217 177.229 176.094 -0.137 0.000 1.036 429 V CA 1.265 63.421 62.300 -0.239 0.000 1.044 429 V CB -0.428 31.151 31.823 -0.406 0.000 0.688 429 V HN 0.702 nan 8.190 nan 0.000 0.462 430 G N -0.782 107.945 108.800 -0.123 0.000 2.860 430 G HA2 0.339 4.299 3.960 0.000 0.000 0.553 430 G HA3 0.339 4.299 3.960 0.000 0.000 0.553 430 G C 0.458 175.321 174.900 -0.061 0.000 1.439 430 G CA -0.485 44.571 45.100 -0.074 0.000 0.879 430 G HN 1.743 nan 8.290 nan 0.000 0.545 431 G N -0.657 108.118 108.800 -0.041 0.000 2.645 431 G HA2 -0.105 3.855 3.960 0.000 0.000 0.246 431 G HA3 -0.105 3.855 3.960 0.000 0.000 0.246 431 G C 0.935 175.819 174.900 -0.028 0.000 1.322 431 G CA 0.919 46.000 45.100 -0.032 0.000 0.898 431 G HN 1.522 nan 8.290 nan 0.000 0.573 432 K N 0.290 120.677 120.400 -0.022 0.000 2.147 432 K HA -0.045 4.275 4.320 0.000 0.000 0.205 432 K C 2.352 178.941 176.600 -0.017 0.000 1.049 432 K CA 1.863 58.141 56.287 -0.015 0.000 0.936 432 K CB -0.113 32.380 32.500 -0.011 0.000 0.722 432 K HN 0.482 nan 8.250 nan 0.000 0.446 433 E N 0.977 121.161 120.200 -0.027 0.000 2.110 433 E HA -0.161 4.190 4.350 0.000 0.000 0.193 433 E C 1.925 178.507 176.600 -0.030 0.000 0.988 433 E CA 1.326 57.709 56.400 -0.028 0.000 0.804 433 E CB -0.305 29.368 29.700 -0.045 0.000 0.745 433 E HN 0.336 nan 8.360 nan 0.000 0.458 434 A N 0.385 123.173 122.820 -0.053 0.000 1.940 434 A HA -0.189 4.131 4.320 0.000 0.000 0.219 434 A C 2.029 179.611 177.584 -0.005 0.000 1.176 434 A CA 1.193 53.195 52.037 -0.058 0.000 0.631 434 A CB -0.570 18.391 19.000 -0.065 0.000 0.814 434 A HN 0.182 nan 8.150 nan 0.000 0.446 435 L N -0.446 120.782 121.223 0.007 0.000 2.012 435 L HA -0.155 4.186 4.340 0.000 0.000 0.210 435 L C 3.015 179.930 176.870 0.075 0.000 1.073 435 L CA 2.054 56.912 54.840 0.031 0.000 0.748 435 L CB -0.981 41.088 42.059 0.017 0.000 0.891 435 L HN 0.396 nan 8.230 nan 0.000 0.431 436 A N -0.622 122.243 122.820 0.075 0.000 1.902 436 A HA -0.185 4.135 4.320 0.000 0.000 0.217 436 A C 2.300 180.082 177.584 0.330 0.000 1.181 436 A CA 1.857 53.989 52.037 0.158 0.000 0.623 436 A CB -0.773 18.260 19.000 0.055 0.000 0.818 436 A HN 0.412 nan 8.150 nan 0.000 0.443 437 I N -0.477 120.204 120.570 0.184 0.000 2.315 437 I HA -0.239 3.932 4.170 0.000 0.000 0.248 437 I C 2.414 178.636 176.117 0.175 0.000 1.117 437 I CA 1.444 62.835 61.300 0.153 0.000 1.404 437 I CB -0.478 37.527 38.000 0.009 0.000 1.071 437 I HN 0.437 nan 8.210 nan 0.000 0.419 438 E N 0.850 121.128 120.200 0.130 0.000 2.072 438 E HA -0.195 4.155 4.350 0.000 0.000 0.191 438 E C 1.810 178.499 176.600 0.147 0.000 0.985 438 E CA 1.162 57.630 56.400 0.113 0.000 0.801 438 E CB -0.152 29.590 29.700 0.070 0.000 0.750 438 E HN 0.451 nan 8.360 nan 0.000 0.452 439 N N 0.489 119.305 118.700 0.193 0.000 2.188 439 N HA -0.131 4.609 4.740 0.000 0.000 0.184 439 N C 1.422 177.054 175.510 0.204 0.000 1.018 439 N CA 0.701 53.871 53.050 0.200 0.000 0.858 439 N CB -0.318 38.316 38.487 0.245 0.000 0.989 439 N HN 0.125 nan 8.380 nan 0.000 0.426 440 F N 1.194 121.192 119.950 0.079 0.000 2.134 440 F HA -0.141 4.386 4.527 0.000 0.000 0.299 440 F C 2.118 177.858 175.800 -0.099 0.000 1.097 440 F CA 1.299 59.192 58.000 -0.178 0.000 1.264 440 F CB -0.133 38.723 39.000 -0.240 0.000 1.001 440 F HN 0.049 nan 8.300 nan 0.000 0.479 441 A N -0.173 122.837 122.820 0.317 0.000 1.877 441 A HA -0.272 4.048 4.320 0.000 0.000 0.216 441 A C 1.835 179.461 177.584 0.070 0.000 1.186 441 A CA 2.103 54.258 52.037 0.196 0.000 0.620 441 A CB -1.318 17.770 19.000 0.147 0.000 0.822 441 A HN 0.537 nan 8.150 nan 0.000 0.443 442 D N -0.496 119.937 120.400 0.056 0.000 2.144 442 D HA -0.042 4.598 4.640 0.000 0.000 0.199 442 D C 1.981 178.265 176.300 -0.027 0.000 0.984 442 D CA 1.480 55.489 54.000 0.016 0.000 0.834 442 D CB -0.142 40.676 40.800 0.029 0.000 0.955 442 D HN 0.366 nan 8.370 nan 0.000 0.465 443 A N 0.244 123.026 122.820 -0.063 0.000 1.908 443 A HA -0.120 4.200 4.320 0.000 0.000 0.218 443 A C 2.260 179.751 177.584 -0.155 0.000 1.181 443 A CA 1.013 52.968 52.037 -0.136 0.000 0.627 443 A CB -0.911 17.933 19.000 -0.260 0.000 0.818 443 A HN 0.396 nan 8.150 nan 0.000 0.445 444 L N -0.907 120.223 121.223 -0.154 0.000 2.447 444 L HA -0.170 4.170 4.340 0.000 0.000 0.225 444 L C 2.030 178.851 176.870 -0.082 0.000 1.148 444 L CA 1.166 55.933 54.840 -0.122 0.000 0.808 444 L CB -0.391 41.631 42.059 -0.062 0.000 0.928 444 L HN 0.387 nan 8.230 nan 0.000 0.448 445 K N 0.134 120.493 120.400 -0.068 0.000 2.486 445 K HA -0.053 4.267 4.320 0.000 0.000 0.194 445 K C 1.783 178.349 176.600 -0.057 0.000 1.033 445 K CA 0.550 56.803 56.287 -0.057 0.000 1.004 445 K CB -0.015 32.459 32.500 -0.044 0.000 0.798 445 K HN 0.283 nan 8.250 nan 0.000 0.495 446 I N -0.187 120.344 120.570 -0.066 0.000 2.567 446 I HA -0.246 3.924 4.170 0.000 0.000 0.257 446 I C 1.651 177.734 176.117 -0.057 0.000 1.184 446 I CA 1.137 62.402 61.300 -0.060 0.000 1.451 446 I CB -0.594 37.367 38.000 -0.066 0.000 1.089 446 I HN -0.016 nan 8.210 nan 0.000 0.441 447 I N 1.426 121.960 120.570 -0.059 0.000 2.090 447 I HA -0.109 4.061 4.170 0.000 0.000 0.236 447 I C 0.240 176.327 176.117 -0.049 0.000 1.064 447 I CA 1.579 62.847 61.300 -0.053 0.000 1.324 447 I CB -2.856 35.113 38.000 -0.050 0.000 1.044 447 I HN 0.180 nan 8.210 nan 0.000 0.399 448 P HA -0.197 nan 4.420 nan 0.000 0.216 448 P C 1.776 179.050 177.300 -0.044 0.000 1.153 448 P CA 1.728 64.802 63.100 -0.044 0.000 0.858 448 P CB -0.098 31.577 31.700 -0.043 0.000 0.789 449 K N -0.278 120.096 120.400 -0.043 0.000 2.032 449 K HA -0.163 4.157 4.320 0.000 0.000 0.209 449 K C 1.947 178.521 176.600 -0.042 0.000 1.048 449 K CA 2.474 58.737 56.287 -0.040 0.000 0.927 449 K CB -0.724 31.754 32.500 -0.038 0.000 0.712 449 K HN 0.205 nan 8.250 nan 0.000 0.441 450 T N -0.578 113.949 114.554 -0.046 0.000 2.951 450 T HA -0.051 4.299 4.350 0.000 0.000 0.268 450 T C 2.037 176.705 174.700 -0.054 0.000 1.073 450 T CA 0.836 62.908 62.100 -0.047 0.000 1.134 450 T CB -0.289 68.551 68.868 -0.046 0.000 0.884 450 T HN 0.164 nan 8.240 nan 0.000 0.479 451 L N 0.950 122.138 121.223 -0.059 0.000 2.017 451 L HA -0.004 4.336 4.340 0.000 0.000 0.208 451 L C 3.354 180.175 176.870 -0.082 0.000 1.073 451 L CA 1.458 56.253 54.840 -0.075 0.000 0.745 451 L CB -0.813 41.202 42.059 -0.075 0.000 0.894 451 L HN 0.394 nan 8.230 nan 0.000 0.432 452 A N -0.378 122.402 122.820 -0.066 0.000 1.898 452 A HA -0.254 4.066 4.320 0.000 0.000 0.216 452 A C 2.224 179.775 177.584 -0.054 0.000 1.181 452 A CA 1.777 53.778 52.037 -0.060 0.000 0.620 452 A CB -0.536 18.438 19.000 -0.044 0.000 0.819 452 A HN 0.462 nan 8.150 nan 0.000 0.442 453 E N 0.080 120.251 120.200 -0.047 0.000 2.023 453 E HA -0.259 4.091 4.350 0.000 0.000 0.196 453 E C 1.692 178.266 176.600 -0.044 0.000 1.003 453 E CA 1.564 57.940 56.400 -0.041 0.000 0.809 453 E CB -0.185 29.493 29.700 -0.037 0.000 0.755 453 E HN 0.553 nan 8.360 nan 0.000 0.449 454 N N 0.213 118.882 118.700 -0.051 0.000 2.272 454 N HA -0.160 4.580 4.740 0.000 0.000 0.185 454 N C 1.283 176.758 175.510 -0.058 0.000 1.014 454 N CA 1.221 54.240 53.050 -0.052 0.000 0.870 454 N CB -0.328 38.125 38.487 -0.058 0.000 0.975 454 N HN 0.244 nan 8.380 nan 0.000 0.433 455 A N -0.310 122.467 122.820 -0.072 0.000 2.238 455 A HA 0.394 4.714 4.320 0.000 0.000 0.208 455 A C 1.574 179.130 177.584 -0.047 0.000 1.177 455 A CA 0.819 52.809 52.037 -0.078 0.000 0.804 455 A CB -0.364 18.567 19.000 -0.115 0.000 0.823 455 A HN 0.314 nan 8.150 nan 0.000 0.482 456 G N -1.215 107.563 108.800 -0.038 0.000 2.162 456 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 456 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 456 G C 0.131 175.017 174.900 -0.022 0.000 0.976 456 G CA 0.422 45.507 45.100 -0.026 0.000 0.655 456 G HN 0.464 nan 8.290 nan 0.000 0.533 457 L N 0.383 121.589 121.223 -0.028 0.000 2.439 457 L HA 0.410 4.750 4.340 0.000 0.000 0.261 457 L C 0.704 177.562 176.870 -0.020 0.000 1.153 457 L CA -0.902 53.925 54.840 -0.022 0.000 0.808 457 L CB 0.499 42.541 42.059 -0.027 0.000 1.126 457 L HN 0.077 nan 8.230 nan 0.000 0.460 458 D N 0.707 121.098 120.400 -0.015 0.000 2.363 458 D HA -0.052 4.589 4.640 0.000 0.000 0.263 458 D C 0.872 177.163 176.300 -0.015 0.000 1.258 458 D CA 0.300 54.292 54.000 -0.013 0.000 0.907 458 D CB 1.411 42.206 40.800 -0.009 0.000 1.107 458 D HN 0.539 nan 8.370 nan 0.000 0.495 459 T N 2.683 117.227 114.554 -0.017 0.000 2.777 459 T HA -0.099 4.251 4.350 0.000 0.000 0.266 459 T C 1.966 176.656 174.700 -0.016 0.000 1.040 459 T CA 0.934 63.022 62.100 -0.020 0.000 1.141 459 T CB 0.151 69.006 68.868 -0.022 0.000 0.868 459 T HN 0.311 nan 8.240 nan 0.000 0.444 460 V N 1.391 121.298 119.914 -0.013 0.000 2.295 460 V HA -0.143 3.977 4.120 0.000 0.000 0.246 460 V C 2.420 178.510 176.094 -0.007 0.000 1.049 460 V CA 1.911 64.206 62.300 -0.010 0.000 1.024 460 V CB -0.557 31.262 31.823 -0.008 0.000 0.648 460 V HN 0.582 nan 8.190 nan 0.000 0.447 461 E N -0.638 119.558 120.200 -0.006 0.000 2.047 461 E HA -0.182 4.168 4.350 0.000 0.000 0.191 461 E C 2.312 178.910 176.600 -0.003 0.000 0.987 461 E CA 1.171 57.569 56.400 -0.003 0.000 0.799 461 E CB -0.233 29.465 29.700 -0.003 0.000 0.752 461 E HN 0.347 nan 8.360 nan 0.000 0.449 462 M N 0.601 120.197 119.600 -0.007 0.000 2.149 462 M HA -0.153 4.327 4.480 0.000 0.000 0.261 462 M C 2.257 178.553 176.300 -0.006 0.000 1.064 462 M CA 1.113 56.409 55.300 -0.007 0.000 1.102 462 M CB -0.691 31.900 32.600 -0.015 0.000 1.369 462 M HN 0.152 nan 8.290 nan 0.000 0.408 463 L N -0.688 120.529 121.223 -0.010 0.000 2.017 463 L HA -0.135 4.205 4.340 0.000 0.000 0.208 463 L C 2.616 179.484 176.870 -0.003 0.000 1.073 463 L CA 1.261 56.095 54.840 -0.011 0.000 0.745 463 L CB -1.562 40.489 42.059 -0.015 0.000 0.894 463 L HN 0.090 nan 8.230 nan 0.000 0.432 464 V N 0.058 119.972 119.914 -0.001 0.000 2.252 464 V HA -0.348 3.772 4.120 0.000 0.000 0.249 464 V C 2.572 178.673 176.094 0.011 0.000 1.056 464 V CA 1.852 64.155 62.300 0.005 0.000 1.022 464 V CB -0.545 31.280 31.823 0.004 0.000 0.641 464 V HN 0.453 nan 8.190 nan 0.000 0.445 465 K N -0.369 120.037 120.400 0.011 0.000 2.026 465 K HA -0.131 4.189 4.320 0.000 0.000 0.208 465 K C 2.017 178.633 176.600 0.026 0.000 1.048 465 K CA 1.580 57.876 56.287 0.016 0.000 0.929 465 K CB -0.442 32.066 32.500 0.013 0.000 0.713 465 K HN 0.383 nan 8.250 nan 0.000 0.439 466 V N 1.826 121.755 119.914 0.024 0.000 2.343 466 V HA -0.232 3.888 4.120 0.000 0.000 0.247 466 V C 2.215 178.347 176.094 0.063 0.000 1.051 466 V CA 1.605 63.929 62.300 0.041 0.000 1.036 466 V CB -0.491 31.346 31.823 0.023 0.000 0.654 466 V HN 0.271 nan 8.190 nan 0.000 0.451 467 I N 0.183 120.771 120.570 0.031 0.000 2.226 467 I HA -0.231 3.939 4.170 0.000 0.000 0.245 467 I C 2.749 178.907 176.117 0.069 0.000 1.100 467 I CA 1.800 63.118 61.300 0.029 0.000 1.374 467 I CB -0.416 37.583 38.000 -0.001 0.000 1.057 467 I HN 0.349 nan 8.210 nan 0.000 0.413 468 S N 0.540 116.270 115.700 0.051 0.000 2.356 468 S HA -0.256 4.214 4.470 0.000 0.000 0.223 468 S C 1.991 176.625 174.600 0.058 0.000 1.032 468 S CA 1.929 60.158 58.200 0.047 0.000 1.005 468 S CB -0.142 63.076 63.200 0.030 0.000 0.867 468 S HN 0.415 nan 8.310 nan 0.000 0.449 469 E N 0.036 120.272 120.200 0.059 0.000 2.077 469 E HA -0.177 4.173 4.350 0.000 0.000 0.193 469 E C 1.847 178.484 176.600 0.062 0.000 0.989 469 E CA 1.709 58.138 56.400 0.049 0.000 0.800 469 E CB -0.459 29.266 29.700 0.042 0.000 0.746 469 E HN 0.791 nan 8.360 nan 0.000 0.452 470 H N -0.034 119.040 119.070 0.006 0.000 2.352 470 H HA -0.022 4.534 4.556 0.000 0.000 0.299 470 H C 1.710 177.042 175.328 0.007 0.000 1.097 470 H CA 1.990 58.041 56.048 0.006 0.000 1.311 470 H CB 0.221 29.987 29.762 0.006 0.000 1.377 470 H HN 0.017 nan 8.280 nan 0.000 0.504 471 K N -0.360 120.141 120.400 0.170 0.000 2.148 471 K HA -0.095 4.226 4.320 0.000 0.000 0.204 471 K C 1.667 178.289 176.600 0.038 0.000 1.050 471 K CA 1.227 57.578 56.287 0.106 0.000 0.942 471 K CB 0.160 32.709 32.500 0.081 0.000 0.724 471 K HN 0.406 nan 8.250 nan 0.000 0.446 472 N N 0.400 119.113 118.700 0.022 0.000 2.290 472 N HA -0.034 4.706 4.740 0.000 0.000 0.179 472 N C 1.323 176.819 175.510 -0.024 0.000 1.016 472 N CA 0.967 54.018 53.050 0.002 0.000 0.871 472 N CB 0.156 38.648 38.487 0.007 0.000 0.987 472 N HN 0.140 nan 8.380 nan 0.000 0.431 473 R N -0.074 120.395 120.500 -0.050 0.000 2.308 473 R HA 0.311 4.652 4.340 0.000 0.000 0.202 473 R C 0.612 176.833 176.300 -0.132 0.000 0.898 473 R CA 0.344 56.400 56.100 -0.075 0.000 1.046 473 R CB 0.788 31.052 30.300 -0.060 0.000 1.026 473 R HN 0.150 nan 8.270 nan 0.000 0.512 474 G N 0.626 109.293 108.800 -0.221 0.000 2.592 474 G HA2 -0.238 3.722 3.960 0.000 0.000 0.684 474 G HA3 -0.238 3.722 3.960 0.000 0.000 0.684 474 G C 0.193 174.756 174.900 -0.561 0.000 1.291 474 G CA -0.373 44.555 45.100 -0.287 0.000 0.891 474 G HN 0.070 nan 8.290 nan 0.000 0.544 475 L N 0.865 121.897 121.223 -0.319 0.000 2.054 475 L HA -0.062 4.278 4.340 0.000 0.000 0.220 475 L C 2.827 179.636 176.870 -0.102 0.000 1.081 475 L CA 3.870 58.614 54.840 -0.160 0.000 0.780 475 L CB -0.882 41.166 42.059 -0.018 0.000 0.893 475 L HN 1.629 nan 8.230 nan 0.000 0.438 476 G N -0.413 108.324 108.800 -0.106 0.000 2.559 476 G HA2 -0.067 3.893 3.960 0.000 0.000 0.216 476 G HA3 -0.067 3.893 3.960 0.000 0.000 0.216 476 G C 0.821 175.714 174.900 -0.012 0.000 1.126 476 G CA 0.147 45.226 45.100 -0.034 0.000 0.778 476 G HN 0.318 nan 8.290 nan 0.000 0.543 477 I N 1.914 122.438 120.570 -0.077 0.000 2.505 477 I HA 0.353 4.523 4.170 0.000 0.000 0.287 477 I C 0.979 177.218 176.117 0.203 0.000 1.104 477 I CA -0.143 61.180 61.300 0.039 0.000 1.387 477 I CB 0.075 38.068 38.000 -0.011 0.000 1.404 477 I HN 0.033 nan 8.210 nan 0.000 0.528 478 G N 6.797 115.663 108.800 0.109 0.000 3.135 478 G HA2 0.703 4.663 3.960 0.000 0.000 0.278 478 G HA3 0.703 4.663 3.960 0.000 0.000 0.278 478 G C -0.838 174.090 174.900 0.046 0.000 1.302 478 G CA -0.702 44.449 45.100 0.085 0.000 0.880 478 G HN 0.378 nan 8.290 nan 0.000 0.574 479 I N 1.091 121.672 120.570 0.018 0.000 2.353 479 I HA 0.234 4.404 4.170 0.000 0.000 0.293 479 I C -0.928 175.183 176.117 -0.011 0.000 0.992 479 I CA -0.506 60.793 61.300 -0.001 0.000 1.268 479 I CB 1.831 39.817 38.000 -0.023 0.000 1.387 479 I HN 0.297 nan 8.210 nan 0.000 0.478 480 D N 6.387 126.786 120.400 -0.001 0.000 2.443 480 D HA 0.128 4.768 4.640 0.000 0.000 0.221 480 D C 0.912 177.188 176.300 -0.042 0.000 1.097 480 D CA -0.526 53.481 54.000 0.011 0.000 0.865 480 D CB 1.545 42.382 40.800 0.061 0.000 1.034 480 D HN 0.375 nan 8.370 nan 0.000 0.511 481 V N 2.103 121.915 119.914 -0.171 0.000 2.759 481 V HA -0.066 4.054 4.120 0.000 0.000 0.256 481 V C 1.629 177.572 176.094 -0.251 0.000 1.080 481 V CA 0.913 63.059 62.300 -0.258 0.000 1.101 481 V CB -1.079 30.508 31.823 -0.394 0.000 0.698 481 V HN 0.278 nan 8.190 nan 0.000 0.477 482 F N 1.149 121.097 119.950 -0.003 0.000 2.187 482 F HA 0.182 4.709 4.527 0.000 0.000 0.295 482 F C 2.431 178.229 175.800 -0.004 0.000 1.091 482 F CA 1.660 59.658 58.000 -0.005 0.000 1.308 482 F CB -0.419 38.578 39.000 -0.005 0.000 1.030 482 F HN 0.226 nan 8.300 nan 0.000 0.487 483 E N -0.212 120.098 120.200 0.183 0.000 2.474 483 E HA 0.192 4.542 4.350 0.000 0.000 0.194 483 E C 1.185 177.818 176.600 0.054 0.000 1.041 483 E CA 0.482 56.943 56.400 0.101 0.000 0.874 483 E CB -0.123 29.628 29.700 0.085 0.000 0.914 483 E HN 0.254 nan 8.360 nan 0.000 0.498 484 G N 1.825 110.645 108.800 0.033 0.000 2.350 484 G HA2 -0.335 3.625 3.960 0.000 0.000 0.298 484 G HA3 -0.335 3.625 3.960 0.000 0.000 0.298 484 G C -0.278 174.628 174.900 0.010 0.000 1.037 484 G CA 1.140 46.245 45.100 0.008 0.000 1.074 484 G HN 0.421 nan 8.290 nan 0.000 0.511 485 K N -2.251 118.157 120.400 0.012 0.000 2.711 485 K HA 0.586 4.906 4.320 0.000 0.000 0.294 485 K C -3.498 173.113 176.600 0.019 0.000 1.037 485 K CA -2.019 54.276 56.287 0.015 0.000 0.858 485 K CB 0.716 33.227 32.500 0.019 0.000 1.521 485 K HN -0.057 nan 8.250 nan 0.000 0.386 486 P HA 0.262 nan 4.420 nan 0.000 0.269 486 P C -1.275 176.043 177.300 0.029 0.000 1.215 486 P CA -0.111 63.007 63.100 0.028 0.000 0.780 486 P CB 0.971 32.691 31.700 0.032 0.000 0.898 487 A N 1.091 123.930 122.820 0.032 0.000 2.608 487 A HA 0.400 4.720 4.320 0.000 0.000 0.292 487 A C -1.383 176.216 177.584 0.026 0.000 1.066 487 A CA -0.499 51.555 52.037 0.029 0.000 0.676 487 A CB 0.972 19.995 19.000 0.037 0.000 1.277 487 A HN 0.437 nan 8.150 nan 0.000 0.413 488 D N 2.392 122.802 120.400 0.016 0.000 2.374 488 D HA 0.216 4.856 4.640 0.000 0.000 0.240 488 D C 1.032 177.343 176.300 0.017 0.000 1.229 488 D CA -0.372 53.633 54.000 0.007 0.000 0.895 488 D CB 0.530 41.328 40.800 -0.004 0.000 1.046 488 D HN 0.374 nan 8.370 nan 0.000 0.498 489 M N 3.280 122.895 119.600 0.024 0.000 2.159 489 M HA -0.170 4.310 4.480 0.000 0.000 0.263 489 M C 1.672 177.986 176.300 0.023 0.000 1.063 489 M CA 0.708 56.026 55.300 0.030 0.000 1.110 489 M CB -0.567 32.055 32.600 0.036 0.000 1.374 489 M HN 0.392 nan 8.290 nan 0.000 0.411 490 L N 0.499 121.731 121.223 0.015 0.000 2.017 490 L HA -0.157 4.183 4.340 0.000 0.000 0.208 490 L C 2.357 179.233 176.870 0.009 0.000 1.073 490 L CA 1.770 56.616 54.840 0.010 0.000 0.745 490 L CB -1.115 40.945 42.059 0.002 0.000 0.894 490 L HN 0.378 nan 8.230 nan 0.000 0.432 491 E N -0.768 119.436 120.200 0.007 0.000 2.150 491 E HA -0.177 4.173 4.350 0.000 0.000 0.193 491 E C 1.690 178.297 176.600 0.012 0.000 0.985 491 E CA 0.616 57.020 56.400 0.007 0.000 0.814 491 E CB 0.017 29.720 29.700 0.005 0.000 0.752 491 E HN 0.328 nan 8.360 nan 0.000 0.466 492 K N -0.262 120.149 120.400 0.018 0.000 2.525 492 K HA 0.011 4.331 4.320 0.000 0.000 0.192 492 K C 1.098 177.713 176.600 0.024 0.000 1.029 492 K CA 0.704 57.005 56.287 0.024 0.000 1.029 492 K CB 0.446 32.969 32.500 0.039 0.000 0.814 492 K HN 0.278 nan 8.250 nan 0.000 0.503 493 G N 2.119 110.931 108.800 0.020 0.000 2.179 493 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 493 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 493 G C 0.142 175.057 174.900 0.026 0.000 1.010 493 G CA 0.024 45.136 45.100 0.019 0.000 0.736 493 G HN 0.344 nan 8.290 nan 0.000 0.513 494 I N 1.736 122.325 120.570 0.032 0.000 2.276 494 I HA 0.442 4.612 4.170 0.000 0.000 0.290 494 I C 0.903 177.038 176.117 0.030 0.000 1.109 494 I CA -0.552 60.771 61.300 0.038 0.000 1.229 494 I CB -0.028 38.002 38.000 0.051 0.000 1.452 494 I HN 0.315 nan 8.210 nan 0.000 0.497 495 I N 2.908 123.493 120.570 0.026 0.000 3.042 495 I HA 0.749 4.919 4.170 0.000 0.000 0.310 495 I C -0.965 175.163 176.117 0.019 0.000 1.117 495 I CA -0.810 60.503 61.300 0.022 0.000 1.003 495 I CB 2.403 40.414 38.000 0.018 0.000 1.228 495 I HN 0.351 nan 8.210 nan 0.000 0.443 496 E N 1.521 121.731 120.200 0.017 0.000 2.393 496 E HA 0.598 4.949 4.350 0.000 0.000 0.273 496 E C -2.988 173.620 176.600 0.014 0.000 0.918 496 E CA -2.350 54.059 56.400 0.015 0.000 0.773 496 E CB 1.582 31.290 29.700 0.013 0.000 1.275 496 E HN 0.295 nan 8.360 nan 0.000 0.451 497 P HA -0.033 nan 4.420 nan 0.000 0.269 497 P C 0.431 177.738 177.300 0.013 0.000 1.209 497 P CA -0.272 62.836 63.100 0.012 0.000 0.776 497 P CB 0.667 32.374 31.700 0.012 0.000 0.876 498 L N 2.887 124.118 121.223 0.014 0.000 2.083 498 L HA -0.186 4.154 4.340 0.000 0.000 0.209 498 L C 2.311 179.188 176.870 0.013 0.000 1.083 498 L CA 1.679 56.527 54.840 0.013 0.000 0.752 498 L CB -0.273 41.794 42.059 0.013 0.000 0.899 498 L HN 0.441 nan 8.230 nan 0.000 0.433 499 R N -0.689 119.819 120.500 0.013 0.000 2.127 499 R HA -0.166 4.174 4.340 0.000 0.000 0.238 499 R C 2.078 178.385 176.300 0.012 0.000 1.134 499 R CA 1.594 57.701 56.100 0.013 0.000 0.975 499 R CB -0.148 30.160 30.300 0.014 0.000 0.865 499 R HN 0.295 nan 8.270 nan 0.000 0.447 500 V N 1.316 121.237 119.914 0.010 0.000 2.255 500 V HA -0.279 3.841 4.120 0.000 0.000 0.247 500 V C 2.386 178.484 176.094 0.007 0.000 1.051 500 V CA 1.762 64.067 62.300 0.008 0.000 1.018 500 V CB -0.386 31.441 31.823 0.007 0.000 0.641 500 V HN 0.269 nan 8.190 nan 0.000 0.445 501 K N 0.213 120.618 120.400 0.008 0.000 2.057 501 K HA -0.126 4.194 4.320 0.000 0.000 0.206 501 K C 2.144 178.752 176.600 0.013 0.000 1.050 501 K CA 1.329 57.621 56.287 0.009 0.000 0.935 501 K CB -0.381 32.126 32.500 0.011 0.000 0.715 501 K HN 0.465 nan 8.250 nan 0.000 0.439 502 K N 0.605 121.013 120.400 0.014 0.000 2.009 502 K HA -0.213 4.107 4.320 0.000 0.000 0.210 502 K C 2.282 178.892 176.600 0.017 0.000 1.049 502 K CA 1.540 57.837 56.287 0.016 0.000 0.929 502 K CB -0.092 32.415 32.500 0.012 0.000 0.714 502 K HN -0.013 nan 8.250 nan 0.000 0.440 503 Q N 0.791 120.599 119.800 0.014 0.000 2.119 503 Q HA -0.051 4.289 4.340 0.000 0.000 0.201 503 Q C 1.839 177.847 176.000 0.012 0.000 0.972 503 Q CA 1.716 57.527 55.803 0.014 0.000 0.847 503 Q CB -0.265 28.480 28.738 0.012 0.000 0.903 503 Q HN 0.309 nan 8.270 nan 0.000 0.433 504 A N 0.575 123.400 122.820 0.007 0.000 1.883 504 A HA -0.182 4.138 4.320 0.000 0.000 0.217 504 A C 1.920 179.504 177.584 -0.000 0.000 1.186 504 A CA 1.736 53.772 52.037 -0.001 0.000 0.624 504 A CB -0.766 18.229 19.000 -0.009 0.000 0.822 504 A HN 0.458 nan 8.150 nan 0.000 0.444 505 I N -0.302 120.278 120.570 0.016 0.000 2.315 505 I HA -0.175 3.995 4.170 0.000 0.000 0.248 505 I C 2.232 178.386 176.117 0.061 0.000 1.117 505 I CA 1.463 62.789 61.300 0.043 0.000 1.404 505 I CB -1.285 36.769 38.000 0.089 0.000 1.071 505 I HN 0.372 nan 8.210 nan 0.000 0.419 506 K N 0.661 121.089 120.400 0.047 0.000 2.026 506 K HA -0.110 4.210 4.320 0.000 0.000 0.208 506 K C 2.368 178.993 176.600 0.042 0.000 1.048 506 K CA 1.723 58.038 56.287 0.048 0.000 0.929 506 K CB -0.121 32.399 32.500 0.033 0.000 0.713 506 K HN 0.143 nan 8.250 nan 0.000 0.439 507 S N 0.734 116.450 115.700 0.026 0.000 2.355 507 S HA -0.116 4.354 4.470 0.000 0.000 0.222 507 S C 2.124 176.733 174.600 0.016 0.000 1.031 507 S CA 1.147 59.359 58.200 0.020 0.000 0.993 507 S CB -0.224 62.983 63.200 0.011 0.000 0.859 507 S HN 0.429 nan 8.310 nan 0.000 0.453 508 A N 1.342 124.162 122.820 -0.001 0.000 1.883 508 A HA -0.111 4.209 4.320 0.000 0.000 0.217 508 A C 2.359 179.936 177.584 -0.012 0.000 1.186 508 A CA 2.036 54.056 52.037 -0.028 0.000 0.624 508 A CB -1.021 17.932 19.000 -0.077 0.000 0.822 508 A HN 0.434 nan 8.150 nan 0.000 0.444 509 S N -0.356 115.359 115.700 0.026 0.000 2.343 509 S HA -0.161 4.309 4.470 0.000 0.000 0.219 509 S C 1.876 176.548 174.600 0.120 0.000 1.033 509 S CA 1.521 59.784 58.200 0.104 0.000 1.014 509 S CB -0.396 62.926 63.200 0.203 0.000 0.915 509 S HN 0.699 nan 8.310 nan 0.000 0.435 510 E N 1.126 121.382 120.200 0.092 0.000 2.204 510 E HA -0.109 4.241 4.350 0.000 0.000 0.195 510 E C 2.181 178.825 176.600 0.073 0.000 0.990 510 E CA 0.960 57.410 56.400 0.083 0.000 0.821 510 E CB -0.199 29.538 29.700 0.061 0.000 0.750 510 E HN 0.507 nan 8.360 nan 0.000 0.477 511 A N 1.474 124.329 122.820 0.058 0.000 1.930 511 A HA 0.078 4.399 4.320 0.000 0.000 0.215 511 A C 2.388 180.009 177.584 0.062 0.000 1.176 511 A CA 1.209 53.274 52.037 0.048 0.000 0.632 511 A CB -0.365 18.652 19.000 0.029 0.000 0.819 511 A HN 0.266 nan 8.150 nan 0.000 0.445 512 A N 0.131 122.998 122.820 0.077 0.000 1.898 512 A HA -0.059 4.261 4.320 0.000 0.000 0.216 512 A C 2.096 179.769 177.584 0.149 0.000 1.181 512 A CA 1.461 53.565 52.037 0.112 0.000 0.620 512 A CB -0.603 18.478 19.000 0.134 0.000 0.819 512 A HN 0.468 nan 8.150 nan 0.000 0.442 513 I N -0.768 119.906 120.570 0.174 0.000 2.226 513 I HA -0.302 3.868 4.170 0.000 0.000 0.245 513 I C 2.728 178.900 176.117 0.091 0.000 1.100 513 I CA 1.947 63.340 61.300 0.154 0.000 1.374 513 I CB -0.237 37.860 38.000 0.162 0.000 1.057 513 I HN 0.536 nan 8.210 nan 0.000 0.413 514 M N 0.804 120.450 119.600 0.077 0.000 2.117 514 M HA -0.210 4.270 4.480 0.000 0.000 0.262 514 M C 2.260 178.588 176.300 0.047 0.000 1.065 514 M CA 1.996 57.329 55.300 0.055 0.000 1.114 514 M CB -0.063 32.566 32.600 0.047 0.000 1.361 514 M HN 0.097 nan 8.290 nan 0.000 0.408 515 I N 0.262 120.862 120.570 0.050 0.000 2.315 515 I HA -0.261 3.909 4.170 0.000 0.000 0.248 515 I C 1.975 178.112 176.117 0.034 0.000 1.117 515 I CA 0.568 61.893 61.300 0.041 0.000 1.404 515 I CB -0.375 37.649 38.000 0.041 0.000 1.071 515 I HN 0.327 nan 8.210 nan 0.000 0.419 516 L N 0.642 121.888 121.223 0.039 0.000 2.275 516 L HA -0.106 4.234 4.340 0.000 0.000 0.215 516 L C 2.313 179.188 176.870 0.008 0.000 1.119 516 L CA 1.620 56.469 54.840 0.016 0.000 0.790 516 L CB -0.887 41.177 42.059 0.007 0.000 0.919 516 L HN 0.177 nan 8.230 nan 0.000 0.443 517 R N -1.102 119.412 120.500 0.024 0.000 2.299 517 R HA 0.151 4.492 4.340 0.000 0.000 0.197 517 R C 0.259 176.570 176.300 0.019 0.000 0.971 517 R CA -0.003 56.112 56.100 0.024 0.000 1.030 517 R CB 0.078 30.400 30.300 0.037 0.000 0.932 517 R HN 0.241 nan 8.270 nan 0.000 0.477 518 I N 2.784 123.365 120.570 0.018 0.000 2.352 518 I HA -0.019 4.151 4.170 0.000 0.000 0.290 518 I C 0.511 176.636 176.117 0.015 0.000 1.036 518 I CA -0.004 61.308 61.300 0.020 0.000 1.336 518 I CB 0.990 39.006 38.000 0.026 0.000 1.407 518 I HN 0.073 nan 8.210 nan 0.000 0.497 519 D N 3.641 124.049 120.400 0.014 0.000 2.535 519 D HA 0.140 4.780 4.640 0.000 0.000 0.229 519 D C -0.341 175.977 176.300 0.029 0.000 1.238 519 D CA -0.072 53.935 54.000 0.012 0.000 0.824 519 D CB 0.452 41.246 40.800 -0.010 0.000 1.045 519 D HN 0.311 nan 8.370 nan 0.000 0.500 520 D N 0.139 120.563 120.400 0.040 0.000 2.861 520 D HA 0.261 4.901 4.640 0.000 0.000 0.216 520 D C -1.540 174.799 176.300 0.064 0.000 1.323 520 D CA -0.464 53.567 54.000 0.051 0.000 0.917 520 D CB 2.289 43.109 40.800 0.033 0.000 1.582 520 D HN -0.197 nan 8.370 nan 0.000 0.576 521 V N 5.058 125.035 119.914 0.105 0.000 2.407 521 V HA 0.515 4.635 4.120 0.000 0.000 0.291 521 V C 0.148 176.318 176.094 0.126 0.000 1.018 521 V CA -0.582 61.785 62.300 0.111 0.000 0.842 521 V CB 1.544 33.446 31.823 0.131 0.000 0.996 521 V HN 0.480 nan 8.190 nan 0.000 0.426 522 I N 4.533 125.144 120.570 0.068 0.000 2.420 522 I HA 0.682 4.852 4.170 0.000 0.000 0.282 522 I C 0.209 176.348 176.117 0.037 0.000 1.019 522 I CA -0.453 60.875 61.300 0.048 0.000 1.130 522 I CB 1.666 39.680 38.000 0.023 0.000 1.262 522 I HN 0.655 nan 8.210 nan 0.000 0.454 523 A N 5.300 128.149 122.820 0.048 0.000 2.287 523 A HA 0.851 5.172 4.320 0.000 0.000 0.317 523 A C 0.259 177.855 177.584 0.020 0.000 1.220 523 A CA -0.428 51.626 52.037 0.028 0.000 0.835 523 A CB 1.025 20.045 19.000 0.033 0.000 1.180 523 A HN 0.773 nan 8.150 nan 0.000 0.500 524 A N 2.294 125.119 122.820 0.008 0.000 2.346 524 A HA 0.440 4.760 4.320 0.000 0.000 0.255 524 A C 0.629 178.217 177.584 0.006 0.000 1.113 524 A CA -0.077 51.963 52.037 0.005 0.000 0.798 524 A CB 0.127 19.128 19.000 0.002 0.000 1.073 524 A HN 0.836 nan 8.150 nan 0.000 0.502 525 K N 0.350 120.753 120.400 0.004 0.000 2.297 525 K HA 0.480 4.800 4.320 0.000 0.000 0.286 525 K C 0.369 176.971 176.600 0.003 0.000 1.053 525 K CA -0.034 56.257 56.287 0.005 0.000 0.940 525 K CB 0.658 33.160 32.500 0.003 0.000 1.019 525 K HN 0.792 nan 8.250 nan 0.000 0.475 526 A N 0.000 122.822 122.820 0.004 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.038 52.037 0.002 0.000 0.836 526 A CB 0.000 19.001 19.000 0.002 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486