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 2rkj_1_B DATA FIRST_RESID 39 DATA SEQUENCE PKYTAKINEA EENWQARAEA IKKGKKQNTW DLFEERGYVK DTAGTKEHIA DATA SEQUENCE ELMRTRRIGA YVGIDPTAPS LHVGHLLPLM PLFWMYLEGY KAFTLIGGST DATA SEQUENCE AKIGDPTGXX XXXXXXXXXD ATMNMTKIHY QLKKLWENVD TQMRARGYEA DATA SEQUENCE DWARKRGIVN NNHWWNKQPM LEVLRRVGHA LRIGPMLSRD TVKNKMTQGD DATA SEQUENCE GVSFAEFTYP IMQGWDWFEL FYQQGVQMQI GGSDQYGNII SGLEVVKAAR DATA SEQUENCE ESEPDPQERK YVTPKTALDE CVGFTVPLLT DSSGAKFGKS AGNAIWLDPY DATA SEQUENCE QTSVFDFYGY FVRRSDQEVE NLLKLFTFMP ISEITKTMEE HIKDPSKRVA DATA SEQUENCE QHTLAREVVT LVHGKQEASA AEDQHRMM 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 39 P HA 0.000 nan 4.420 nan 0.000 0.216 39 P C 0.000 177.320 177.300 0.033 0.000 1.155 39 P CA 0.000 63.123 63.100 0.038 0.000 0.800 39 P CB 0.000 31.739 31.700 0.066 0.000 0.726 40 K N 0.106 120.528 120.400 0.037 0.000 1.991 40 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 40 K C 1.844 178.435 176.600 -0.014 0.000 1.049 40 K CA 1.699 57.992 56.287 0.009 0.000 0.932 40 K CB -0.919 31.599 32.500 0.030 0.000 0.717 40 K HN 0.382 nan 8.250 nan 0.000 0.441 41 Y N 2.773 123.051 120.300 -0.037 0.000 2.132 41 Y HA -0.334 4.216 4.550 0.000 0.000 0.280 41 Y C 2.110 177.923 175.900 -0.145 0.000 1.193 41 Y CA 2.564 60.637 58.100 -0.045 0.000 1.157 41 Y CB -0.787 37.688 38.460 0.025 0.000 0.966 41 Y HN 0.213 nan 8.280 nan 0.000 0.511 42 T N 0.698 115.235 114.554 -0.028 0.000 2.580 42 T HA -0.309 4.041 4.350 -0.000 0.000 0.265 42 T C 2.108 176.654 174.700 -0.256 0.000 1.063 42 T CA 2.170 64.209 62.100 -0.102 0.000 1.170 42 T CB -1.085 67.782 68.868 -0.002 0.000 0.863 42 T HN 0.551 nan 8.240 nan 0.000 0.418 43 A N 1.524 124.227 122.820 -0.194 0.000 1.997 43 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 43 A C 2.232 179.610 177.584 -0.344 0.000 1.172 43 A CA 1.993 53.904 52.037 -0.209 0.000 0.645 43 A CB -0.572 18.343 19.000 -0.141 0.000 0.813 43 A HN 0.507 nan 8.150 nan 0.000 0.454 44 K N -0.895 119.193 120.400 -0.519 0.000 1.985 44 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 44 K C 1.956 177.935 176.600 -1.036 0.000 1.047 44 K CA 1.594 57.368 56.287 -0.855 0.000 0.932 44 K CB -0.423 31.355 32.500 -1.203 0.000 0.716 44 K HN 0.573 nan 8.250 nan 0.000 0.439 45 I N 1.676 121.571 120.570 -1.126 0.000 2.315 45 I HA -0.341 3.829 4.170 -0.000 0.000 0.251 45 I C 1.975 177.834 176.117 -0.431 0.000 1.125 45 I CA 1.254 62.067 61.300 -0.812 0.000 1.392 45 I CB -0.075 37.596 38.000 -0.548 0.000 1.065 45 I HN 0.251 nan 8.210 nan 0.000 0.424 46 N N 0.697 119.182 118.700 -0.357 0.000 2.142 46 N HA -0.239 4.501 4.740 -0.000 0.000 0.186 46 N C 1.676 177.081 175.510 -0.174 0.000 1.023 46 N CA 1.417 54.343 53.050 -0.206 0.000 0.852 46 N CB -0.078 38.312 38.487 -0.162 0.000 0.998 46 N HN 0.483 nan 8.380 nan 0.000 0.424 47 E N 0.880 120.943 120.200 -0.229 0.000 2.019 47 E HA -0.181 4.169 4.350 -0.000 0.000 0.208 47 E C 1.828 178.374 176.600 -0.090 0.000 1.030 47 E CA 2.034 58.341 56.400 -0.156 0.000 0.856 47 E CB -0.395 29.187 29.700 -0.196 0.000 0.781 47 E HN 0.306 nan 8.360 nan 0.000 0.471 48 A N 0.416 123.173 122.820 -0.106 0.000 1.997 48 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 48 A C 2.103 179.704 177.584 0.028 0.000 1.172 48 A CA 2.150 54.182 52.037 -0.008 0.000 0.645 48 A CB -0.881 18.125 19.000 0.010 0.000 0.813 48 A HN 0.426 nan 8.150 nan 0.000 0.454 49 E N 0.530 120.715 120.200 -0.026 0.000 2.023 49 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 49 E C 1.821 178.480 176.600 0.099 0.000 1.003 49 E CA 2.022 58.437 56.400 0.026 0.000 0.809 49 E CB -0.506 29.178 29.700 -0.027 0.000 0.755 49 E HN 0.721 nan 8.360 nan 0.000 0.449 50 E N 0.038 120.262 120.200 0.041 0.000 2.049 50 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 50 E C 2.016 178.657 176.600 0.068 0.000 1.007 50 E CA 1.603 58.028 56.400 0.041 0.000 0.809 50 E CB -0.389 29.314 29.700 0.005 0.000 0.749 50 E HN 0.319 nan 8.360 nan 0.000 0.450 51 N N 0.631 119.377 118.700 0.077 0.000 2.061 51 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 51 N C 1.285 176.871 175.510 0.127 0.000 1.030 51 N CA 1.177 54.279 53.050 0.086 0.000 0.856 51 N CB -0.471 38.077 38.487 0.100 0.000 1.023 51 N HN 0.344 nan 8.380 nan 0.000 0.424 52 W N 1.417 122.695 121.300 -0.037 0.000 2.313 52 W HA -0.245 4.415 4.660 0.000 0.000 0.293 52 W C 1.288 177.793 176.519 -0.023 0.000 1.216 52 W CA 1.169 58.489 57.345 -0.042 0.000 1.223 52 W CB 0.090 29.518 29.460 -0.053 0.000 1.138 52 W HN 0.228 nan 8.180 nan 0.000 0.535 53 Q N -0.205 119.629 119.800 0.056 0.000 2.123 53 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 53 Q C 2.403 178.354 176.000 -0.082 0.000 0.966 53 Q CA 1.571 57.357 55.803 -0.029 0.000 0.845 53 Q CB -1.048 27.705 28.738 0.025 0.000 0.907 53 Q HN 0.321 nan 8.270 nan 0.000 0.439 54 A N 1.370 124.157 122.820 -0.055 0.000 1.908 54 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 54 A C 2.179 179.697 177.584 -0.111 0.000 1.181 54 A CA 1.759 53.759 52.037 -0.061 0.000 0.627 54 A CB -0.502 18.478 19.000 -0.033 0.000 0.818 54 A HN 0.277 nan 8.150 nan 0.000 0.445 55 R N -0.571 119.820 120.500 -0.183 0.000 2.115 55 R HA 0.035 4.375 4.340 -0.000 0.000 0.226 55 R C 2.208 178.315 176.300 -0.320 0.000 1.100 55 R CA 1.144 57.085 56.100 -0.264 0.000 0.980 55 R CB -0.343 29.724 30.300 -0.389 0.000 0.875 55 R HN 0.422 nan 8.270 nan 0.000 0.445 56 A N 0.867 123.465 122.820 -0.371 0.000 1.972 56 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 56 A C 1.938 179.430 177.584 -0.153 0.000 1.169 56 A CA 1.741 53.602 52.037 -0.293 0.000 0.635 56 A CB -0.402 18.457 19.000 -0.236 0.000 0.810 56 A HN 0.470 nan 8.150 nan 0.000 0.446 57 E N 0.333 120.460 120.200 -0.122 0.000 2.046 57 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 57 E C 2.014 178.575 176.600 -0.066 0.000 0.982 57 E CA 1.525 57.880 56.400 -0.074 0.000 0.800 57 E CB -0.552 29.113 29.700 -0.058 0.000 0.756 57 E HN 0.420 nan 8.360 nan 0.000 0.449 58 A N 0.836 123.609 122.820 -0.079 0.000 1.927 58 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 58 A C 2.353 179.908 177.584 -0.048 0.000 1.185 58 A CA 1.898 53.900 52.037 -0.059 0.000 0.639 58 A CB -0.862 18.098 19.000 -0.067 0.000 0.820 58 A HN 0.406 nan 8.150 nan 0.000 0.451 59 I N -1.114 119.419 120.570 -0.062 0.000 2.353 59 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 59 I C 2.439 178.542 176.117 -0.025 0.000 1.119 59 I CA 1.666 62.943 61.300 -0.037 0.000 1.417 59 I CB -0.261 37.715 38.000 -0.042 0.000 1.078 59 I HN 0.325 nan 8.210 nan 0.000 0.421 60 K N 1.465 121.845 120.400 -0.034 0.000 2.283 60 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 60 K C 1.112 177.702 176.600 -0.017 0.000 1.048 60 K CA 1.258 57.532 56.287 -0.023 0.000 0.948 60 K CB 0.205 32.688 32.500 -0.028 0.000 0.742 60 K HN 0.179 nan 8.250 nan 0.000 0.458 61 K N -0.326 120.062 120.400 -0.020 0.000 2.676 61 K HA 0.140 4.460 4.320 -0.000 0.000 0.205 61 K C -0.785 175.808 176.600 -0.011 0.000 1.084 61 K CA 0.207 56.485 56.287 -0.014 0.000 1.057 61 K CB 1.455 33.945 32.500 -0.016 0.000 0.791 61 K HN 0.276 nan 8.250 nan 0.000 0.484 62 G N 2.358 111.153 108.800 -0.009 0.000 2.330 62 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.239 62 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.239 62 G C 0.091 174.987 174.900 -0.007 0.000 0.818 62 G CA 0.502 45.599 45.100 -0.005 0.000 1.189 62 G HN 0.417 nan 8.290 nan 0.000 0.337 63 K N -0.329 120.065 120.400 -0.010 0.000 2.648 63 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 63 K C 0.608 177.203 176.600 -0.008 0.000 1.721 63 K CA 0.271 56.551 56.287 -0.011 0.000 1.183 63 K CB 0.981 33.470 32.500 -0.018 0.000 1.618 63 K HN 0.369 nan 8.250 nan 0.000 0.595 64 K N 1.596 121.990 120.400 -0.010 0.000 2.535 64 K HA 0.204 4.524 4.320 -0.000 0.000 0.251 64 K C -1.538 175.068 176.600 0.010 0.000 0.942 64 K CA -0.474 55.814 56.287 0.002 0.000 0.798 64 K CB 2.081 34.574 32.500 -0.012 0.000 1.267 64 K HN -0.048 nan 8.250 nan 0.000 0.434 65 Q N 2.993 122.812 119.800 0.031 0.000 2.263 65 Q HA -0.066 4.274 4.340 -0.000 0.000 0.289 65 Q C -0.401 175.620 176.000 0.035 0.000 1.061 65 Q CA 0.392 56.215 55.803 0.033 0.000 0.927 65 Q CB 0.428 29.190 28.738 0.041 0.000 1.154 65 Q HN 0.552 nan 8.270 nan 0.000 0.378 66 N N 2.595 121.315 118.700 0.034 0.000 2.483 66 N HA -0.060 4.680 4.740 -0.000 0.000 0.264 66 N C 0.503 176.025 175.510 0.021 0.000 1.197 66 N CA 0.102 53.181 53.050 0.048 0.000 0.927 66 N CB 0.732 39.270 38.487 0.084 0.000 1.065 66 N HN 0.661 nan 8.380 nan 0.000 0.461 67 T N 3.403 117.964 114.554 0.012 0.000 2.653 67 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 67 T C 1.395 175.784 174.700 -0.518 0.000 1.037 67 T CA 1.437 63.422 62.100 -0.190 0.000 1.159 67 T CB -0.409 68.339 68.868 -0.200 0.000 0.859 67 T HN 0.759 nan 8.240 nan 0.000 0.449 68 W N 2.169 123.179 121.300 -0.482 0.000 2.425 68 W HA -0.116 4.544 4.660 -0.000 0.000 0.277 68 W C 1.392 177.825 176.519 -0.142 0.000 1.231 68 W CA 1.102 58.214 57.345 -0.388 0.000 1.248 68 W CB -0.265 29.091 29.460 -0.174 0.000 1.117 68 W HN 0.289 nan 8.180 nan 0.000 0.568 69 D N 1.024 121.364 120.400 -0.099 0.000 2.123 69 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 69 D C 2.244 178.443 176.300 -0.168 0.000 0.976 69 D CA 1.290 55.215 54.000 -0.126 0.000 0.831 69 D CB -0.463 40.341 40.800 0.007 0.000 0.974 69 D HN 0.249 nan 8.370 nan 0.000 0.469 70 L N -0.033 121.112 121.223 -0.130 0.000 2.265 70 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 70 L C 2.118 178.970 176.870 -0.031 0.000 1.117 70 L CA 0.853 55.641 54.840 -0.088 0.000 0.782 70 L CB -0.208 41.826 42.059 -0.042 0.000 0.914 70 L HN -0.025 nan 8.230 nan 0.000 0.441 71 F N 0.092 119.832 119.950 -0.350 0.000 2.037 71 F HA -0.204 4.323 4.527 -0.000 0.000 0.291 71 F C 2.491 178.023 175.800 -0.447 0.000 1.137 71 F CA 1.100 58.835 58.000 -0.442 0.000 1.178 71 F CB -0.148 38.365 39.000 -0.812 0.000 0.995 71 F HN 0.015 nan 8.300 nan 0.000 0.472 72 E N 0.054 119.959 120.200 -0.493 0.000 2.265 72 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 72 E C 2.026 178.489 176.600 -0.228 0.000 0.996 72 E CA 0.678 56.831 56.400 -0.411 0.000 0.832 72 E CB -0.052 29.372 29.700 -0.462 0.000 0.756 72 E HN 0.289 nan 8.360 nan 0.000 0.491 73 E N 1.161 121.248 120.200 -0.190 0.000 2.028 73 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 73 E C 1.433 177.941 176.600 -0.152 0.000 0.984 73 E CA 0.938 57.256 56.400 -0.137 0.000 0.800 73 E CB 0.080 29.716 29.700 -0.107 0.000 0.758 73 E HN 0.155 nan 8.360 nan 0.000 0.448 74 R N -0.212 120.188 120.500 -0.167 0.000 2.328 74 R HA 0.082 4.422 4.340 -0.000 0.000 0.206 74 R C 0.897 176.951 176.300 -0.410 0.000 0.990 74 R CA 0.505 56.443 56.100 -0.271 0.000 1.085 74 R CB -0.281 29.843 30.300 -0.295 0.000 0.998 74 R HN 0.277 nan 8.270 nan 0.000 0.484 75 G N 0.886 109.518 108.800 -0.280 0.000 2.323 75 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.292 75 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.292 75 G C 0.056 174.760 174.900 -0.327 0.000 1.040 75 G CA 0.094 45.031 45.100 -0.272 0.000 0.942 75 G HN 0.443 nan 8.290 nan 0.000 0.506 76 Y N -1.174 118.977 120.300 -0.248 0.000 2.510 76 Y HA 0.313 4.863 4.550 -0.000 0.000 0.273 76 Y C 1.653 177.460 175.900 -0.155 0.000 1.119 76 Y CA 0.566 58.520 58.100 -0.243 0.000 1.286 76 Y CB 0.722 38.953 38.460 -0.382 0.000 1.061 76 Y HN 0.280 nan 8.280 nan 0.000 0.542 77 V N 0.270 120.145 119.914 -0.065 0.000 2.483 77 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 77 V C 0.472 176.572 176.094 0.009 0.000 1.035 77 V CA -0.761 61.532 62.300 -0.011 0.000 0.896 77 V CB 2.035 33.745 31.823 -0.188 0.000 0.986 77 V HN 0.044 nan 8.190 nan 0.000 0.447 78 K N 1.262 121.708 120.400 0.077 0.000 2.485 78 K HA 0.281 4.601 4.320 -0.000 0.000 0.200 78 K C -0.368 176.263 176.600 0.051 0.000 1.352 78 K CA 0.169 56.477 56.287 0.036 0.000 0.953 78 K CB 0.760 33.270 32.500 0.016 0.000 1.387 78 K HN 0.932 nan 8.250 nan 0.000 0.512 79 D N -0.952 119.519 120.400 0.118 0.000 2.523 79 D HA 0.286 4.926 4.640 -0.000 0.000 0.236 79 D C -1.293 175.216 176.300 0.349 0.000 1.094 79 D CA -0.600 53.466 54.000 0.109 0.000 0.942 79 D CB 2.368 43.061 40.800 -0.179 0.000 1.447 79 D HN -0.113 nan 8.370 nan 0.000 0.479 80 T N -0.766 114.028 114.554 0.399 0.000 2.923 80 T HA 0.672 5.022 4.350 -0.000 0.000 0.311 80 T C -1.831 173.109 174.700 0.400 0.000 1.183 80 T CA -0.619 61.750 62.100 0.448 0.000 1.020 80 T CB 1.272 70.370 68.868 0.383 0.000 1.165 80 T HN 0.453 nan 8.240 nan 0.000 0.482 81 A N 2.466 125.461 122.820 0.292 0.000 2.399 81 A HA 0.856 5.176 4.320 -0.000 0.000 0.327 81 A C 0.533 178.163 177.584 0.077 0.000 1.367 81 A CA 0.201 52.333 52.037 0.158 0.000 0.842 81 A CB -0.348 18.695 19.000 0.072 0.000 1.142 81 A HN 1.724 nan 8.150 nan 0.000 0.495 82 G N 0.579 109.410 108.800 0.052 0.000 2.347 82 G HA2 0.346 4.306 3.960 -0.000 0.000 0.477 82 G HA3 0.346 4.306 3.960 -0.000 0.000 0.477 82 G C -0.484 174.425 174.900 0.014 0.000 1.349 82 G CA -0.433 44.648 45.100 -0.033 0.000 1.000 82 G HN 0.925 nan 8.290 nan 0.000 0.605 83 T N 1.817 116.409 114.554 0.064 0.000 2.870 83 T HA 0.309 4.659 4.350 -0.000 0.000 0.300 83 T C 1.901 176.591 174.700 -0.017 0.000 0.989 83 T CA 0.367 62.515 62.100 0.081 0.000 1.139 83 T CB 1.400 70.348 68.868 0.133 0.000 0.920 83 T HN 0.755 nan 8.240 nan 0.000 0.537 84 K N 2.865 123.267 120.400 0.003 0.000 2.089 84 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 84 K C 1.450 177.962 176.600 -0.147 0.000 1.048 84 K CA 1.703 57.975 56.287 -0.025 0.000 0.926 84 K CB -0.199 32.393 32.500 0.154 0.000 0.714 84 K HN 0.532 nan 8.250 nan 0.000 0.448 85 E N 0.064 120.241 120.200 -0.038 0.000 2.216 85 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 85 E C 2.017 178.588 176.600 -0.047 0.000 0.988 85 E CA 0.573 56.950 56.400 -0.039 0.000 0.834 85 E CB -0.187 29.511 29.700 -0.003 0.000 0.772 85 E HN 0.342 nan 8.360 nan 0.000 0.479 86 H N 1.052 120.037 119.070 -0.142 0.000 2.253 86 H HA -0.095 4.461 4.556 -0.000 0.000 0.296 86 H C 1.902 177.121 175.328 -0.181 0.000 1.067 86 H CA 1.795 57.771 56.048 -0.120 0.000 1.245 86 H CB -0.453 29.253 29.762 -0.092 0.000 1.364 86 H HN 0.140 nan 8.280 nan 0.000 0.494 87 I N 0.891 121.355 120.570 -0.176 0.000 2.315 87 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 87 I C 2.904 178.797 176.117 -0.374 0.000 1.125 87 I CA 1.065 62.132 61.300 -0.389 0.000 1.392 87 I CB -0.521 36.954 38.000 -0.876 0.000 1.065 87 I HN 0.278 nan 8.210 nan 0.000 0.424 88 A N 0.808 123.366 122.820 -0.437 0.000 1.828 88 A HA -0.273 4.047 4.320 -0.000 0.000 0.215 88 A C 2.285 179.864 177.584 -0.008 0.000 1.203 88 A CA 2.067 53.987 52.037 -0.195 0.000 0.614 88 A CB -0.770 18.175 19.000 -0.091 0.000 0.844 88 A HN 0.376 nan 8.150 nan 0.000 0.445 89 E N -0.266 119.939 120.200 0.007 0.000 2.086 89 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 89 E C 1.786 178.448 176.600 0.103 0.000 1.012 89 E CA 1.625 58.053 56.400 0.046 0.000 0.812 89 E CB -0.576 29.137 29.700 0.021 0.000 0.743 89 E HN 0.403 nan 8.360 nan 0.000 0.453 90 L N 0.001 121.305 121.223 0.136 0.000 2.043 90 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 90 L C 2.212 179.242 176.870 0.268 0.000 1.075 90 L CA 1.970 56.929 54.840 0.199 0.000 0.752 90 L CB -0.389 41.792 42.059 0.204 0.000 0.891 90 L HN 0.285 nan 8.230 nan 0.000 0.432 91 M N -1.519 118.229 119.600 0.247 0.000 2.562 91 M HA -0.090 4.390 4.480 -0.000 0.000 0.257 91 M C 2.196 178.724 176.300 0.381 0.000 1.099 91 M CA 0.871 56.406 55.300 0.391 0.000 1.099 91 M CB -0.336 32.425 32.600 0.268 0.000 1.427 91 M HN 0.316 nan 8.290 nan 0.000 0.489 92 R N 0.593 121.214 120.500 0.201 0.000 2.140 92 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 92 R C 1.529 177.832 176.300 0.005 0.000 1.059 92 R CA 1.549 57.674 56.100 0.042 0.000 1.000 92 R CB 0.260 30.566 30.300 0.011 0.000 0.910 92 R HN 0.311 nan 8.270 nan 0.000 0.455 93 T N -2.541 112.127 114.554 0.190 0.000 3.228 93 T HA 0.340 4.690 4.350 -0.000 0.000 0.278 93 T C -0.022 174.960 174.700 0.471 0.000 1.014 93 T CA -0.606 61.646 62.100 0.254 0.000 0.904 93 T CB 0.114 69.074 68.868 0.154 0.000 1.110 93 T HN 0.041 nan 8.240 nan 0.000 0.541 94 R N 0.410 121.339 120.500 0.716 0.000 2.523 94 R HA 0.371 4.711 4.340 -0.000 0.000 0.278 94 R C -0.391 176.072 176.300 0.272 0.000 1.150 94 R CA -0.588 55.772 56.100 0.433 0.000 0.987 94 R CB 1.082 31.564 30.300 0.303 0.000 1.232 94 R HN 0.094 nan 8.270 nan 0.000 0.424 95 R N 4.990 125.219 120.500 -0.451 0.000 4.160 95 R HA 0.046 4.386 4.340 -0.000 0.000 0.216 95 R C 0.609 176.874 176.300 -0.058 0.000 2.009 95 R CA -0.135 55.467 56.100 -0.831 0.000 1.664 95 R CB -0.886 28.736 30.300 -1.130 0.000 1.216 95 R HN 0.541 nan 8.270 nan 0.000 0.648 96 I N -1.982 118.755 120.570 0.279 0.000 3.411 96 I HA 0.006 4.176 4.170 -0.000 0.000 0.291 96 I C 0.433 176.801 176.117 0.418 0.000 1.273 96 I CA 0.509 62.028 61.300 0.364 0.000 1.366 96 I CB 0.364 38.613 38.000 0.415 0.000 1.327 96 I HN 0.097 nan 8.210 nan 0.000 0.596 97 G N 2.788 111.825 108.800 0.395 0.000 2.416 97 G HA2 0.824 4.784 3.960 -0.000 0.000 0.329 97 G HA3 0.824 4.784 3.960 -0.000 0.000 0.329 97 G C -1.247 173.910 174.900 0.428 0.000 1.173 97 G CA -0.326 45.049 45.100 0.459 0.000 0.929 97 G HN 1.172 nan 8.290 nan 0.000 0.475 98 A N 1.200 124.292 122.820 0.454 0.000 2.515 98 A HA 0.882 5.202 4.320 -0.000 0.000 0.298 98 A C -1.207 176.617 177.584 0.400 0.000 1.059 98 A CA -0.804 51.437 52.037 0.341 0.000 0.698 98 A CB 1.361 20.526 19.000 0.276 0.000 1.289 98 A HN 1.631 nan 8.150 nan 0.000 0.404 99 Y N -0.745 119.558 120.300 0.004 0.000 2.634 99 Y HA 0.834 5.384 4.550 0.000 0.000 0.340 99 Y C -1.420 174.420 175.900 -0.101 0.000 1.058 99 Y CA -1.448 56.669 58.100 0.029 0.000 1.081 99 Y CB 1.607 40.076 38.460 0.015 0.000 1.295 99 Y HN 0.464 nan 8.280 nan 0.000 0.487 100 V N 2.302 122.087 119.914 -0.214 0.000 2.482 100 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 100 V C 0.210 176.183 176.094 -0.201 0.000 1.026 100 V CA -0.482 61.595 62.300 -0.371 0.000 0.856 100 V CB 1.203 32.875 31.823 -0.250 0.000 1.001 100 V HN 1.091 nan 8.190 nan 0.000 0.424 101 G N 5.153 113.774 108.800 -0.298 0.000 2.403 101 G HA2 0.647 4.607 3.960 -0.000 0.000 0.259 101 G HA3 0.647 4.607 3.960 -0.000 0.000 0.259 101 G C -0.636 174.256 174.900 -0.013 0.000 1.244 101 G CA -0.190 44.908 45.100 -0.004 0.000 0.849 101 G HN 0.629 nan 8.290 nan 0.000 0.532 102 I N 2.001 122.586 120.570 0.024 0.000 2.531 102 I HA 0.104 4.274 4.170 -0.000 0.000 0.283 102 I C -1.166 174.966 176.117 0.025 0.000 1.083 102 I CA -0.728 60.535 61.300 -0.062 0.000 1.071 102 I CB 2.145 40.016 38.000 -0.215 0.000 1.210 102 I HN 0.361 nan 8.210 nan 0.000 0.450 103 D N 8.538 128.985 120.400 0.078 0.000 2.348 103 D HA 0.168 4.808 4.640 -0.000 0.000 0.253 103 D C -1.906 174.456 176.300 0.104 0.000 1.161 103 D CA -0.890 53.177 54.000 0.113 0.000 0.876 103 D CB 1.079 41.970 40.800 0.153 0.000 1.160 103 D HN 0.270 nan 8.370 nan 0.000 0.459 104 P HA 0.040 nan 4.420 nan 0.000 0.220 104 P C 0.271 177.634 177.300 0.105 0.000 1.806 104 P CA -0.069 63.094 63.100 0.105 0.000 0.976 104 P CB -0.153 31.597 31.700 0.083 0.000 1.952 105 T N -2.390 112.237 114.554 0.121 0.000 3.081 105 T HA 0.405 4.755 4.350 -0.000 0.000 0.250 105 T C 0.784 175.562 174.700 0.130 0.000 1.100 105 T CA -0.099 62.063 62.100 0.104 0.000 1.038 105 T CB 0.307 69.228 68.868 0.088 0.000 0.962 105 T HN 0.246 nan 8.240 nan 0.000 0.516 106 A N 2.243 125.171 122.820 0.181 0.000 2.423 106 A HA 0.739 5.059 4.320 -0.000 0.000 0.304 106 A C -2.429 175.296 177.584 0.234 0.000 1.104 106 A CA -2.042 50.146 52.037 0.252 0.000 0.757 106 A CB 1.381 20.616 19.000 0.391 0.000 1.313 106 A HN 0.050 nan 8.150 nan 0.000 0.423 107 P HA 0.135 nan 4.420 nan 0.000 0.255 107 P C -0.123 177.262 177.300 0.142 0.000 1.427 107 P CA 0.564 63.729 63.100 0.107 0.000 0.863 107 P CB 0.256 31.959 31.700 0.005 0.000 1.444 108 S N -0.458 115.432 115.700 0.317 0.000 2.669 108 S HA 0.242 4.712 4.470 -0.000 0.000 0.304 108 S C -1.259 173.658 174.600 0.528 0.000 1.021 108 S CA -0.714 57.719 58.200 0.388 0.000 0.854 108 S CB 0.104 63.531 63.200 0.378 0.000 1.048 108 S HN -0.055 nan 8.310 nan 0.000 0.452 109 L N 5.475 126.929 121.223 0.384 0.000 2.360 109 L HA 0.371 4.711 4.340 -0.000 0.000 0.276 109 L C 0.732 177.804 176.870 0.337 0.000 1.121 109 L CA -0.470 54.636 54.840 0.443 0.000 0.845 109 L CB 0.144 42.401 42.059 0.331 0.000 1.143 109 L HN 0.841 nan 8.230 nan 0.000 0.452 110 H N 0.585 119.645 119.070 -0.016 0.000 2.505 110 H HA 0.244 4.800 4.556 -0.000 0.000 0.351 110 H C 1.115 176.405 175.328 -0.063 0.000 1.151 110 H CA -0.871 55.049 56.048 -0.214 0.000 1.339 110 H CB 1.130 30.506 29.762 -0.645 0.000 1.483 110 H HN 0.385 nan 8.280 nan 0.000 0.558 111 V N 0.718 120.565 119.914 -0.110 0.000 2.592 111 V HA -0.278 3.842 4.120 -0.000 0.000 0.262 111 V C 2.059 178.042 176.094 -0.185 0.000 1.108 111 V CA 1.995 64.309 62.300 0.023 0.000 1.121 111 V CB -1.472 30.475 31.823 0.206 0.000 0.689 111 V HN 1.015 nan 8.190 nan 0.000 0.479 112 G N -0.574 107.732 108.800 -0.823 0.000 2.418 112 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 112 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 112 G C 1.245 175.929 174.900 -0.359 0.000 1.158 112 G CA 0.996 45.712 45.100 -0.640 0.000 0.771 112 G HN 0.701 nan 8.290 nan 0.000 0.545 113 H N -0.148 118.641 119.070 -0.468 0.000 2.543 113 H HA 0.069 4.625 4.556 -0.000 0.000 0.286 113 H C 2.408 177.690 175.328 -0.076 0.000 1.037 113 H CA -0.055 55.907 56.048 -0.143 0.000 1.250 113 H CB 0.056 29.787 29.762 -0.051 0.000 1.373 113 H HN 0.276 nan 8.280 nan 0.000 0.580 114 L N -0.311 120.965 121.223 0.088 0.000 1.961 114 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 114 L C 2.407 179.263 176.870 -0.023 0.000 1.075 114 L CA 0.803 55.713 54.840 0.116 0.000 0.749 114 L CB -0.588 41.636 42.059 0.275 0.000 0.890 114 L HN 0.238 nan 8.230 nan 0.000 0.433 115 L N 1.170 122.340 121.223 -0.090 0.000 2.026 115 L HA -0.239 4.101 4.340 -0.000 0.000 0.231 115 L C -0.455 176.353 176.870 -0.104 0.000 1.095 115 L CA 2.650 57.374 54.840 -0.192 0.000 0.810 115 L CB -1.882 40.128 42.059 -0.082 0.000 0.909 115 L HN 0.145 nan 8.230 nan 0.000 0.444 116 P HA -0.213 nan 4.420 nan 0.000 0.216 116 P C 2.174 179.295 177.300 -0.298 0.000 1.153 116 P CA 1.983 64.980 63.100 -0.173 0.000 0.858 116 P CB -0.126 31.497 31.700 -0.128 0.000 0.789 117 L N -1.808 119.212 121.223 -0.338 0.000 2.056 117 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 117 L C 2.953 179.290 176.870 -0.890 0.000 1.078 117 L CA 1.114 55.545 54.840 -0.682 0.000 0.749 117 L CB -0.928 40.707 42.059 -0.708 0.000 0.901 117 L HN -0.129 nan 8.230 nan 0.000 0.433 118 M N 0.098 119.465 119.600 -0.387 0.000 2.308 118 M HA -0.214 4.266 4.480 -0.000 0.000 0.257 118 M C -0.092 176.168 176.300 -0.067 0.000 1.070 118 M CA 2.495 57.810 55.300 0.026 0.000 1.080 118 M CB -2.458 30.257 32.600 0.191 0.000 1.274 118 M HN 0.112 nan 8.290 nan 0.000 0.434 119 P HA -0.176 nan 4.420 nan 0.000 0.216 119 P C 1.942 179.215 177.300 -0.044 0.000 1.153 119 P CA 1.370 64.024 63.100 -0.742 0.000 0.858 119 P CB -0.340 30.616 31.700 -1.239 0.000 0.789 120 L N -0.364 120.747 121.223 -0.186 0.000 1.978 120 L HA -0.193 4.147 4.340 -0.000 0.000 0.218 120 L C 2.778 179.732 176.870 0.140 0.000 1.075 120 L CA 2.009 56.820 54.840 -0.048 0.000 0.767 120 L CB -1.571 40.314 42.059 -0.290 0.000 0.890 120 L HN -0.186 nan 8.230 nan 0.000 0.434 121 F N -1.924 118.072 119.950 0.077 0.000 2.063 121 F HA -0.382 4.145 4.527 -0.000 0.000 0.298 121 F C 2.183 178.078 175.800 0.158 0.000 1.105 121 F CA 1.471 59.486 58.000 0.024 0.000 1.215 121 F CB -0.869 38.079 39.000 -0.087 0.000 0.972 121 F HN 0.224 nan 8.300 nan 0.000 0.483 122 W N 0.419 121.912 121.300 0.322 0.000 2.302 122 W HA -0.275 4.385 4.660 -0.000 0.000 0.320 122 W C 2.624 179.316 176.519 0.288 0.000 1.241 122 W CA 1.654 59.174 57.345 0.291 0.000 1.264 122 W CB -0.927 28.706 29.460 0.289 0.000 1.154 122 W HN -0.019 nan 8.180 nan 0.000 0.483 123 M N -1.650 118.255 119.600 0.509 0.000 2.089 123 M HA -0.327 4.153 4.480 -0.000 0.000 0.257 123 M C 2.121 178.714 176.300 0.488 0.000 1.071 123 M CA 2.129 57.645 55.300 0.359 0.000 1.096 123 M CB -1.146 31.571 32.600 0.194 0.000 1.330 123 M HN 0.095 nan 8.290 nan 0.000 0.403 124 Y N 1.154 121.650 120.300 0.327 0.000 2.151 124 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 124 Y C 1.887 177.897 175.900 0.184 0.000 1.166 124 Y CA 1.728 59.990 58.100 0.271 0.000 1.163 124 Y CB -0.457 38.205 38.460 0.337 0.000 0.974 124 Y HN 0.120 nan 8.280 nan 0.000 0.511 125 L N -0.116 121.154 121.223 0.078 0.000 2.017 125 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 125 L C 2.543 179.526 176.870 0.189 0.000 1.073 125 L CA 1.808 56.532 54.840 -0.193 0.000 0.745 125 L CB -0.614 41.110 42.059 -0.559 0.000 0.894 125 L HN 0.211 nan 8.230 nan 0.000 0.432 126 E N 0.105 120.529 120.200 0.373 0.000 2.338 126 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 126 E C 0.806 177.655 176.600 0.415 0.000 1.007 126 E CA 0.786 57.468 56.400 0.469 0.000 0.849 126 E CB 0.144 30.184 29.700 0.566 0.000 0.774 126 E HN 0.561 nan 8.360 nan 0.000 0.506 127 G N 0.297 109.286 108.800 0.314 0.000 2.618 127 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.180 127 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.180 127 G C -0.617 174.251 174.900 -0.053 0.000 1.092 127 G CA -0.206 44.965 45.100 0.117 0.000 0.856 127 G HN 0.096 nan 8.290 nan 0.000 0.496 128 Y N -0.284 120.054 120.300 0.063 0.000 2.914 128 Y HA 0.738 5.288 4.550 -0.000 0.000 0.324 128 Y C 0.923 176.858 175.900 0.058 0.000 1.280 128 Y CA -0.939 57.186 58.100 0.042 0.000 1.133 128 Y CB 1.058 39.630 38.460 0.186 0.000 1.395 128 Y HN 0.011 nan 8.280 nan 0.000 0.645 129 K N 1.118 121.712 120.400 0.323 0.000 2.449 129 K HA 0.726 5.046 4.320 -0.000 0.000 0.257 129 K C -1.355 175.382 176.600 0.228 0.000 0.989 129 K CA -0.466 55.933 56.287 0.187 0.000 0.916 129 K CB 1.167 33.839 32.500 0.286 0.000 1.136 129 K HN 0.602 nan 8.250 nan 0.000 0.439 130 A N 3.373 126.175 122.820 -0.030 0.000 2.374 130 A HA 0.884 5.204 4.320 -0.000 0.000 0.317 130 A C -1.213 176.186 177.584 -0.309 0.000 1.094 130 A CA -0.562 51.541 52.037 0.109 0.000 0.765 130 A CB 0.652 19.870 19.000 0.363 0.000 1.268 130 A HN 0.542 nan 8.150 nan 0.000 0.438 131 F N -0.630 119.473 119.950 0.255 0.000 2.643 131 F HA 0.696 5.223 4.527 -0.000 0.000 0.314 131 F C 0.304 176.299 175.800 0.325 0.000 1.096 131 F CA -0.333 57.803 58.000 0.227 0.000 0.953 131 F CB 2.498 41.584 39.000 0.144 0.000 1.345 131 F HN 0.585 nan 8.300 nan 0.000 0.468 132 T N 0.345 115.218 114.554 0.531 0.000 2.879 132 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 132 T C -1.465 173.445 174.700 0.349 0.000 0.993 132 T CA -0.643 61.698 62.100 0.401 0.000 0.975 132 T CB 1.510 70.636 68.868 0.429 0.000 0.981 132 T HN 0.635 nan 8.240 nan 0.000 0.439 133 L N 3.897 125.329 121.223 0.348 0.000 2.295 133 L HA 0.714 5.054 4.340 -0.000 0.000 0.285 133 L C -1.009 175.980 176.870 0.198 0.000 1.035 133 L CA -0.964 54.055 54.840 0.297 0.000 0.806 133 L CB 0.675 43.002 42.059 0.448 0.000 1.214 133 L HN 0.776 nan 8.230 nan 0.000 0.426 134 I N 4.555 125.200 120.570 0.126 0.000 2.359 134 I HA 0.330 4.500 4.170 -0.000 0.000 0.294 134 I C 1.076 177.229 176.117 0.060 0.000 0.987 134 I CA -0.426 60.926 61.300 0.088 0.000 1.225 134 I CB 1.778 39.823 38.000 0.075 0.000 1.366 134 I HN 0.865 nan 8.210 nan 0.000 0.466 135 G N 4.228 113.078 108.800 0.082 0.000 3.474 135 G HA2 0.085 4.045 3.960 -0.000 0.000 0.269 135 G HA3 0.085 4.045 3.960 -0.000 0.000 0.269 135 G C 1.232 176.159 174.900 0.045 0.000 1.339 135 G CA 0.007 45.158 45.100 0.086 0.000 1.258 135 G HN 0.935 nan 8.290 nan 0.000 0.560 136 G N 0.071 108.874 108.800 0.006 0.000 2.689 136 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 136 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 136 G C 1.386 176.278 174.900 -0.014 0.000 1.119 136 G CA 1.258 46.350 45.100 -0.012 0.000 0.732 136 G HN 0.468 nan 8.290 nan 0.000 0.576 137 S N -2.021 113.673 115.700 -0.011 0.000 2.727 137 S HA 0.022 4.492 4.470 -0.000 0.000 0.249 137 S C 2.140 176.706 174.600 -0.056 0.000 1.079 137 S CA 0.631 58.811 58.200 -0.032 0.000 0.912 137 S CB 0.208 63.393 63.200 -0.025 0.000 0.861 137 S HN 0.430 nan 8.310 nan 0.000 0.484 138 T N 1.831 116.368 114.554 -0.029 0.000 3.051 138 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 138 T C 1.686 176.427 174.700 0.069 0.000 1.127 138 T CA 1.240 63.337 62.100 -0.005 0.000 1.107 138 T CB -0.315 68.587 68.868 0.058 0.000 0.898 138 T HN 0.298 nan 8.240 nan 0.000 0.517 139 A N 1.972 124.824 122.820 0.052 0.000 1.933 139 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 139 A C 2.069 179.672 177.584 0.033 0.000 1.175 139 A CA 1.120 53.191 52.037 0.057 0.000 0.628 139 A CB -0.327 18.702 19.000 0.048 0.000 0.814 139 A HN 0.489 nan 8.150 nan 0.000 0.444 140 K N -0.386 120.019 120.400 0.008 0.000 2.632 140 K HA 0.117 4.437 4.320 -0.000 0.000 0.196 140 K C 0.428 177.024 176.600 -0.007 0.000 1.023 140 K CA 0.329 56.613 56.287 -0.005 0.000 1.098 140 K CB -0.175 32.311 32.500 -0.024 0.000 0.862 140 K HN 0.502 nan 8.250 nan 0.000 0.504 141 I N -1.432 119.148 120.570 0.018 0.000 3.888 141 I HA 0.092 4.262 4.170 -0.000 0.000 0.268 141 I C 0.727 176.862 176.117 0.030 0.000 1.118 141 I CA 0.778 62.098 61.300 0.033 0.000 1.352 141 I CB -0.870 37.165 38.000 0.059 0.000 1.742 141 I HN 0.219 nan 8.210 nan 0.000 0.415 142 G N 2.722 111.567 108.800 0.075 0.000 2.797 142 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 142 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 142 G C -0.369 174.202 174.900 -0.548 0.000 1.452 142 G CA 0.132 45.182 45.100 -0.084 0.000 0.986 142 G HN 0.501 nan 8.290 nan 0.000 0.595 143 D N 2.130 121.987 120.400 -0.905 0.000 2.401 143 D HA 0.436 5.076 4.640 -0.000 0.000 0.254 143 D C -1.002 175.000 176.300 -0.497 0.000 1.192 143 D CA -0.583 52.674 54.000 -1.238 0.000 0.885 143 D CB 0.646 41.046 40.800 -0.667 0.000 1.147 143 D HN 0.337 nan 8.370 nan 0.000 0.478 144 P HA 0.199 nan 4.420 nan 0.000 0.287 144 P C -0.833 176.425 177.300 -0.071 0.000 1.281 144 P CA -0.508 62.513 63.100 -0.132 0.000 0.781 144 P CB 1.480 33.154 31.700 -0.043 0.000 0.903 145 T N 1.348 115.875 114.554 -0.044 0.000 3.583 145 T HA 0.534 4.884 4.350 -0.000 0.000 0.274 145 T C -0.471 174.225 174.700 -0.007 0.000 0.698 145 T CA 0.348 62.440 62.100 -0.014 0.000 1.262 145 T CB -0.993 67.866 68.868 -0.015 0.000 1.000 145 T HN 0.857 nan 8.240 nan 0.000 0.528 159 A N 0.710 123.540 122.820 0.017 0.000 2.148 159 A HA -0.117 4.203 4.320 -0.000 0.000 0.222 159 A C 2.033 179.630 177.584 0.022 0.000 1.161 159 A CA 2.984 55.035 52.037 0.024 0.000 0.662 159 A CB -1.347 17.668 19.000 0.024 0.000 0.799 159 A HN 0.552 nan 8.150 nan 0.000 0.466 160 T N 0.774 115.335 114.554 0.012 0.000 2.684 160 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 160 T C 1.927 176.633 174.700 0.009 0.000 1.036 160 T CA 2.053 64.156 62.100 0.005 0.000 1.148 160 T CB -0.432 68.435 68.868 -0.002 0.000 0.863 160 T HN 0.849 nan 8.240 nan 0.000 0.436 161 M N 0.676 120.285 119.600 0.015 0.000 2.394 161 M HA 0.087 4.567 4.480 -0.000 0.000 0.264 161 M C 1.970 178.294 176.300 0.041 0.000 1.073 161 M CA 1.202 56.516 55.300 0.023 0.000 1.111 161 M CB -0.516 32.095 32.600 0.019 0.000 1.401 161 M HN -0.018 nan 8.290 nan 0.000 0.448 162 N N 1.552 120.278 118.700 0.042 0.000 2.037 162 N HA -0.231 4.509 4.740 -0.000 0.000 0.196 162 N C 1.853 177.409 175.510 0.076 0.000 1.034 162 N CA 2.305 55.393 53.050 0.062 0.000 0.861 162 N CB -0.362 38.164 38.487 0.065 0.000 1.039 162 N HN 0.565 nan 8.380 nan 0.000 0.427 163 M N 0.961 120.598 119.600 0.061 0.000 2.065 163 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 163 M C 1.912 178.260 176.300 0.080 0.000 1.071 163 M CA 1.710 57.047 55.300 0.062 0.000 1.109 163 M CB -0.612 32.003 32.600 0.024 0.000 1.313 163 M HN 0.039 nan 8.290 nan 0.000 0.408 164 T N 1.671 116.258 114.554 0.054 0.000 2.624 164 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 164 T C 1.773 176.570 174.700 0.162 0.000 1.050 164 T CA 2.057 64.206 62.100 0.081 0.000 1.163 164 T CB -0.401 68.498 68.868 0.051 0.000 0.861 164 T HN 0.372 nan 8.240 nan 0.000 0.443 165 K N 0.600 121.080 120.400 0.133 0.000 2.000 165 K HA -0.112 4.208 4.320 -0.000 0.000 0.218 165 K C 2.273 178.966 176.600 0.156 0.000 1.053 165 K CA 1.595 57.970 56.287 0.147 0.000 0.946 165 K CB -0.889 31.672 32.500 0.102 0.000 0.723 165 K HN 0.427 nan 8.250 nan 0.000 0.446 166 I N 0.176 120.833 120.570 0.145 0.000 2.248 166 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 166 I C 2.506 178.725 176.117 0.170 0.000 1.107 166 I CA 1.293 62.676 61.300 0.139 0.000 1.373 166 I CB -0.493 37.587 38.000 0.133 0.000 1.055 166 I HN 0.281 nan 8.210 nan 0.000 0.418 167 H N 0.889 120.015 119.070 0.093 0.000 2.472 167 H HA -0.337 4.219 4.556 -0.000 0.000 0.295 167 H C 2.228 177.646 175.328 0.150 0.000 1.051 167 H CA 2.534 58.642 56.048 0.099 0.000 1.138 167 H CB -1.000 28.808 29.762 0.077 0.000 1.404 167 H HN 0.367 nan 8.280 nan 0.000 0.603 168 Y N 0.724 121.063 120.300 0.065 0.000 2.144 168 Y HA -0.431 4.119 4.550 0.000 0.000 0.277 168 Y C 2.695 178.579 175.900 -0.026 0.000 1.229 168 Y CA 1.796 59.888 58.100 -0.015 0.000 1.144 168 Y CB -0.196 38.278 38.460 0.025 0.000 0.953 168 Y HN 0.466 nan 8.280 nan 0.000 0.515 169 Q N 0.161 119.951 119.800 -0.017 0.000 1.723 169 Q HA -0.257 4.083 4.340 -0.000 0.000 0.363 169 Q C 2.234 178.207 176.000 -0.044 0.000 0.987 169 Q CA 2.175 57.910 55.803 -0.113 0.000 0.896 169 Q CB -0.466 28.249 28.738 -0.038 0.000 0.941 169 Q HN 0.573 nan 8.270 nan 0.000 0.410 170 L N 0.797 122.034 121.223 0.023 0.000 2.166 170 L HA -0.406 3.934 4.340 -0.000 0.000 0.228 170 L C 2.444 179.410 176.870 0.160 0.000 1.101 170 L CA 1.833 56.724 54.840 0.085 0.000 0.821 170 L CB -0.777 41.380 42.059 0.165 0.000 0.908 170 L HN 0.290 nan 8.230 nan 0.000 0.447 171 K N -0.018 120.437 120.400 0.093 0.000 1.970 171 K HA -0.276 4.044 4.320 -0.000 0.000 0.225 171 K C 2.104 178.750 176.600 0.078 0.000 1.045 171 K CA 1.956 58.294 56.287 0.085 0.000 1.002 171 K CB -0.383 32.111 32.500 -0.011 0.000 0.743 171 K HN 0.165 nan 8.250 nan 0.000 0.445 172 K N 0.884 121.296 120.400 0.021 0.000 2.117 172 K HA -0.268 4.052 4.320 -0.000 0.000 0.215 172 K C 2.256 178.815 176.600 -0.069 0.000 1.053 172 K CA 1.855 58.126 56.287 -0.028 0.000 0.935 172 K CB -0.315 32.113 32.500 -0.119 0.000 0.719 172 K HN 0.090 nan 8.250 nan 0.000 0.460 173 L N 0.038 121.200 121.223 -0.102 0.000 1.955 173 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 173 L C 1.959 178.690 176.870 -0.231 0.000 1.072 173 L CA 2.054 56.779 54.840 -0.191 0.000 0.755 173 L CB -0.728 41.207 42.059 -0.207 0.000 0.888 173 L HN 0.361 nan 8.230 nan 0.000 0.432 174 W N 0.251 121.425 121.300 -0.211 0.000 2.290 174 W HA -0.357 4.303 4.660 0.000 0.000 0.323 174 W C 2.723 179.077 176.519 -0.274 0.000 1.260 174 W CA 1.833 59.017 57.345 -0.269 0.000 1.266 174 W CB -0.376 28.961 29.460 -0.205 0.000 1.149 174 W HN 0.285 nan 8.180 nan 0.000 0.482 175 E N 0.367 120.607 120.200 0.067 0.000 2.086 175 E HA -0.295 4.055 4.350 -0.000 0.000 0.205 175 E C 1.562 178.122 176.600 -0.068 0.000 1.027 175 E CA 2.336 58.734 56.400 -0.004 0.000 0.830 175 E CB -0.631 29.063 29.700 -0.011 0.000 0.751 175 E HN 0.252 nan 8.360 nan 0.000 0.456 176 N N -0.796 117.828 118.700 -0.126 0.000 2.166 176 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 176 N C 1.740 177.092 175.510 -0.263 0.000 1.019 176 N CA 1.341 54.294 53.050 -0.163 0.000 0.856 176 N CB -0.267 38.123 38.487 -0.161 0.000 0.993 176 N HN 0.035 nan 8.380 nan 0.000 0.426 177 V N 1.066 120.739 119.914 -0.401 0.000 2.233 177 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 177 V C 1.991 177.890 176.094 -0.326 0.000 1.050 177 V CA 2.179 64.118 62.300 -0.602 0.000 1.010 177 V CB -0.762 30.553 31.823 -0.846 0.000 0.637 177 V HN 0.318 nan 8.190 nan 0.000 0.444 178 D N -0.254 120.093 120.400 -0.088 0.000 2.116 178 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 178 D C 2.103 178.365 176.300 -0.064 0.000 0.998 178 D CA 2.112 56.144 54.000 0.053 0.000 0.836 178 D CB -0.228 40.633 40.800 0.102 0.000 0.951 178 D HN 0.450 nan 8.370 nan 0.000 0.449 179 T N 0.044 114.544 114.554 -0.090 0.000 2.516 179 T HA -0.236 4.114 4.350 -0.000 0.000 0.261 179 T C 1.882 176.517 174.700 -0.108 0.000 1.130 179 T CA 1.582 63.633 62.100 -0.081 0.000 1.193 179 T CB -0.512 68.311 68.868 -0.075 0.000 0.864 179 T HN 0.240 nan 8.240 nan 0.000 0.410 180 Q N 0.281 119.981 119.800 -0.166 0.000 2.133 180 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 180 Q C 2.287 178.172 176.000 -0.193 0.000 0.991 180 Q CA 1.662 57.364 55.803 -0.168 0.000 0.867 180 Q CB -0.484 28.105 28.738 -0.249 0.000 0.911 180 Q HN 0.587 nan 8.270 nan 0.000 0.417 181 M N 0.779 120.195 119.600 -0.306 0.000 2.800 181 M HA -0.328 4.152 4.480 -0.000 0.000 0.271 181 M C 1.991 178.262 176.300 -0.048 0.000 1.059 181 M CA 2.371 57.454 55.300 -0.362 0.000 1.071 181 M CB -0.182 32.227 32.600 -0.317 0.000 1.227 181 M HN 0.054 nan 8.290 nan 0.000 0.505 182 R N 0.723 121.219 120.500 -0.007 0.000 2.152 182 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 182 R C 2.230 178.563 176.300 0.054 0.000 1.117 182 R CA 1.385 57.518 56.100 0.056 0.000 0.981 182 R CB -1.252 29.061 30.300 0.021 0.000 0.870 182 R HN 0.616 nan 8.270 nan 0.000 0.451 183 A N 2.355 125.186 122.820 0.020 0.000 1.986 183 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 183 A C 0.972 178.590 177.584 0.058 0.000 1.171 183 A CA 1.380 53.431 52.037 0.024 0.000 0.640 183 A CB -0.399 18.602 19.000 -0.000 0.000 0.811 183 A HN 0.407 nan 8.150 nan 0.000 0.451 184 R N -1.899 118.666 120.500 0.107 0.000 2.564 184 R HA 0.455 4.795 4.340 -0.000 0.000 0.282 184 R C 0.489 176.879 176.300 0.150 0.000 1.573 184 R CA -0.092 56.090 56.100 0.137 0.000 1.588 184 R CB -0.631 29.764 30.300 0.158 0.000 1.154 184 R HN 0.659 nan 8.270 nan 0.000 0.606 185 G N 1.507 110.346 108.800 0.065 0.000 2.341 185 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.292 185 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.292 185 G C -0.716 174.111 174.900 -0.122 0.000 1.021 185 G CA 0.338 45.426 45.100 -0.020 0.000 0.905 185 G HN 0.641 nan 8.290 nan 0.000 0.508 186 Y N 0.506 120.790 120.300 -0.027 0.000 2.417 186 Y HA 0.379 4.929 4.550 -0.000 0.000 0.336 186 Y C 0.836 176.713 175.900 -0.039 0.000 0.961 186 Y CA -0.707 57.369 58.100 -0.040 0.000 1.215 186 Y CB 0.950 39.364 38.460 -0.076 0.000 1.120 186 Y HN 0.295 nan 8.280 nan 0.000 0.499 187 E N 3.090 123.306 120.200 0.027 0.000 2.217 187 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 187 E C -0.063 176.561 176.600 0.040 0.000 1.068 187 E CA -0.546 55.871 56.400 0.029 0.000 0.882 187 E CB 0.791 30.495 29.700 0.006 0.000 1.039 187 E HN 0.727 nan 8.360 nan 0.000 0.418 188 A N 3.800 126.633 122.820 0.022 0.000 2.536 188 A HA -0.031 4.289 4.320 -0.000 0.000 0.234 188 A C 0.066 177.656 177.584 0.009 0.000 1.076 188 A CA 0.287 52.317 52.037 -0.011 0.000 0.769 188 A CB 0.295 19.281 19.000 -0.023 0.000 1.020 188 A HN 0.673 nan 8.150 nan 0.000 0.508 189 D N -0.362 120.031 120.400 -0.012 0.000 2.787 189 D HA 0.290 4.930 4.640 -0.000 0.000 0.246 189 D C 0.425 176.761 176.300 0.060 0.000 1.150 189 D CA -0.619 53.407 54.000 0.044 0.000 0.864 189 D CB 0.510 41.331 40.800 0.035 0.000 1.481 189 D HN 0.541 nan 8.370 nan 0.000 0.509 190 W N 4.066 125.331 121.300 -0.059 0.000 2.302 190 W HA -0.257 4.403 4.660 -0.000 0.000 0.320 190 W C 1.786 178.257 176.519 -0.079 0.000 1.241 190 W CA 2.471 59.776 57.345 -0.066 0.000 1.264 190 W CB -0.021 29.391 29.460 -0.079 0.000 1.154 190 W HN 0.586 nan 8.180 nan 0.000 0.483 191 A N 0.283 123.345 122.820 0.402 0.000 2.066 191 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 191 A C 1.453 179.034 177.584 -0.005 0.000 1.157 191 A CA 0.443 52.627 52.037 0.245 0.000 0.670 191 A CB -0.722 18.344 19.000 0.110 0.000 0.804 191 A HN 0.233 nan 8.150 nan 0.000 0.453 192 R N 0.912 121.377 120.500 -0.058 0.000 2.458 192 R HA 0.169 4.509 4.340 -0.000 0.000 0.303 192 R C -0.584 175.675 176.300 -0.069 0.000 1.013 192 R CA 0.564 56.603 56.100 -0.102 0.000 1.026 192 R CB 0.044 30.224 30.300 -0.200 0.000 0.948 192 R HN 0.335 nan 8.270 nan 0.000 0.417 193 K N 4.117 124.519 120.400 0.004 0.000 2.502 193 K HA 0.325 4.645 4.320 -0.000 0.000 0.257 193 K C -0.952 175.545 176.600 -0.172 0.000 0.938 193 K CA -0.897 55.357 56.287 -0.055 0.000 0.819 193 K CB 1.671 34.072 32.500 -0.165 0.000 1.333 193 K HN 0.803 nan 8.250 nan 0.000 0.434 194 R N 0.530 120.766 120.500 -0.440 0.000 3.006 194 R HA 0.884 5.224 4.340 -0.000 0.000 0.235 194 R C -0.506 175.205 176.300 -0.981 0.000 1.362 194 R CA -0.937 54.536 56.100 -1.045 0.000 1.067 194 R CB 1.519 30.713 30.300 -1.842 0.000 1.396 194 R HN 0.654 nan 8.270 nan 0.000 0.504 195 G N -0.037 108.110 108.800 -1.088 0.000 2.358 195 G HA2 0.359 4.319 3.960 -0.000 0.000 0.303 195 G HA3 0.359 4.319 3.960 -0.000 0.000 0.303 195 G C -1.761 173.024 174.900 -0.191 0.000 1.537 195 G CA -0.945 43.827 45.100 -0.547 0.000 0.928 195 G HN 0.400 nan 8.290 nan 0.000 0.656 196 I N -0.100 120.429 120.570 -0.068 0.000 2.603 196 I HA 0.772 4.942 4.170 -0.000 0.000 0.300 196 I C 0.172 176.343 176.117 0.090 0.000 1.017 196 I CA -1.315 60.038 61.300 0.088 0.000 1.098 196 I CB 2.211 40.252 38.000 0.069 0.000 1.279 196 I HN 0.807 nan 8.210 nan 0.000 0.437 197 V N 1.112 121.088 119.914 0.103 0.000 2.777 197 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 197 V C -0.700 175.337 176.094 -0.094 0.000 1.112 197 V CA -0.755 61.535 62.300 -0.015 0.000 0.917 197 V CB 1.546 33.428 31.823 0.098 0.000 1.018 197 V HN 0.734 nan 8.190 nan 0.000 0.426 198 N N 3.809 122.322 118.700 -0.311 0.000 2.518 198 N HA 0.130 4.870 4.740 -0.000 0.000 0.266 198 N C 1.156 176.331 175.510 -0.558 0.000 1.196 198 N CA 0.460 53.317 53.050 -0.323 0.000 0.947 198 N CB 1.467 39.741 38.487 -0.354 0.000 1.098 198 N HN 1.004 nan 8.380 nan 0.000 0.450 199 N N 3.098 121.522 118.700 -0.460 0.000 2.300 199 N HA -0.167 4.573 4.740 -0.000 0.000 0.179 199 N C 0.717 175.725 175.510 -0.837 0.000 1.016 199 N CA 1.021 53.618 53.050 -0.756 0.000 0.876 199 N CB -0.510 37.965 38.487 -0.020 0.000 0.979 199 N HN 0.630 nan 8.380 nan 0.000 0.432 200 N N 0.138 118.627 118.700 -0.352 0.000 2.289 200 N HA -0.212 4.528 4.740 -0.000 0.000 0.184 200 N C 1.544 176.919 175.510 -0.224 0.000 1.016 200 N CA 1.130 54.083 53.050 -0.162 0.000 0.872 200 N CB -1.048 37.398 38.487 -0.067 0.000 0.973 200 N HN 0.186 nan 8.380 nan 0.000 0.433 201 H N -0.217 118.564 119.070 -0.482 0.000 2.414 201 H HA -0.212 4.344 4.556 -0.000 0.000 0.290 201 H C 0.998 176.261 175.328 -0.109 0.000 1.125 201 H CA 2.394 58.261 56.048 -0.301 0.000 1.207 201 H CB -0.248 29.316 29.762 -0.330 0.000 1.356 201 H HN 0.766 nan 8.280 nan 0.000 0.494 202 W N -3.751 117.568 121.300 0.033 0.000 3.033 202 W HA 0.194 4.854 4.660 -0.000 0.000 0.250 202 W C 2.151 178.624 176.519 -0.077 0.000 1.105 202 W CA -0.397 56.886 57.345 -0.103 0.000 1.655 202 W CB -1.212 28.127 29.460 -0.201 0.000 1.001 202 W HN -0.050 nan 8.180 nan 0.000 0.653 203 W N 2.674 124.050 121.300 0.127 0.000 2.313 203 W HA -0.281 4.379 4.660 -0.000 0.000 0.293 203 W C 2.451 178.977 176.519 0.011 0.000 1.216 203 W CA 1.439 58.836 57.345 0.087 0.000 1.223 203 W CB -0.684 28.770 29.460 -0.010 0.000 1.138 203 W HN 0.033 nan 8.180 nan 0.000 0.535 204 N N 0.912 119.729 118.700 0.195 0.000 2.133 204 N HA -0.234 4.506 4.740 -0.000 0.000 0.193 204 N C 0.876 176.447 175.510 0.102 0.000 1.012 204 N CA 1.697 54.812 53.050 0.108 0.000 0.871 204 N CB -0.209 38.307 38.487 0.049 0.000 1.011 204 N HN 0.246 nan 8.380 nan 0.000 0.435 205 K N -0.040 120.425 120.400 0.109 0.000 2.761 205 K HA 0.086 4.406 4.320 -0.000 0.000 0.196 205 K C -0.765 175.887 176.600 0.086 0.000 1.134 205 K CA -0.289 56.048 56.287 0.083 0.000 1.082 205 K CB 0.774 33.304 32.500 0.050 0.000 0.768 205 K HN 0.028 nan 8.250 nan 0.000 0.475 206 Q N 2.438 122.314 119.800 0.125 0.000 2.262 206 Q HA 0.100 4.440 4.340 -0.000 0.000 0.272 206 Q C -2.499 173.530 176.000 0.047 0.000 1.076 206 Q CA -1.469 54.367 55.803 0.056 0.000 0.905 206 Q CB 0.562 29.279 28.738 -0.035 0.000 1.182 206 Q HN -0.096 nan 8.270 nan 0.000 0.390 207 P HA -0.042 nan 4.420 nan 0.000 0.262 207 P C -0.080 177.220 177.300 -0.000 0.000 1.199 207 P CA -0.065 63.047 63.100 0.021 0.000 0.763 207 P CB 0.557 32.274 31.700 0.029 0.000 0.790 208 M N 5.250 124.860 119.600 0.016 0.000 2.065 208 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 208 M C 1.522 177.827 176.300 0.009 0.000 1.071 208 M CA 1.872 57.177 55.300 0.008 0.000 1.109 208 M CB -1.109 31.505 32.600 0.023 0.000 1.313 208 M HN 0.276 nan 8.290 nan 0.000 0.408 209 L N -0.092 121.147 121.223 0.027 0.000 1.980 209 L HA -0.374 3.966 4.340 -0.000 0.000 0.232 209 L C 2.493 179.393 176.870 0.050 0.000 1.092 209 L CA 2.428 57.292 54.840 0.041 0.000 0.808 209 L CB -1.002 41.083 42.059 0.044 0.000 0.908 209 L HN 0.546 nan 8.230 nan 0.000 0.442 210 E N -0.380 119.851 120.200 0.053 0.000 2.045 210 E HA -0.287 4.063 4.350 -0.000 0.000 0.212 210 E C 1.973 178.629 176.600 0.094 0.000 1.039 210 E CA 2.884 59.334 56.400 0.083 0.000 0.860 210 E CB -0.203 29.553 29.700 0.095 0.000 0.776 210 E HN 0.259 nan 8.360 nan 0.000 0.467 211 V N 1.263 121.178 119.914 0.001 0.000 2.223 211 V HA -0.376 3.744 4.120 -0.000 0.000 0.253 211 V C 2.645 178.770 176.094 0.051 0.000 1.061 211 V CA 2.451 64.692 62.300 -0.099 0.000 1.035 211 V CB -0.954 30.660 31.823 -0.348 0.000 0.653 211 V HN 0.431 nan 8.190 nan 0.000 0.454 212 L N -1.025 120.208 121.223 0.017 0.000 2.085 212 L HA -0.333 4.007 4.340 -0.000 0.000 0.218 212 L C 2.811 179.712 176.870 0.051 0.000 1.080 212 L CA 2.420 57.276 54.840 0.027 0.000 0.776 212 L CB -0.338 41.731 42.059 0.018 0.000 0.891 212 L HN 0.304 nan 8.230 nan 0.000 0.437 213 R N -0.983 119.585 120.500 0.113 0.000 2.055 213 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 213 R C 2.123 178.555 176.300 0.219 0.000 1.135 213 R CA 0.459 56.703 56.100 0.240 0.000 0.959 213 R CB -0.016 30.419 30.300 0.226 0.000 0.854 213 R HN 0.078 nan 8.270 nan 0.000 0.431 214 R N 0.506 121.109 120.500 0.172 0.000 2.417 214 R HA -0.095 4.245 4.340 -0.000 0.000 0.220 214 R C 1.026 177.378 176.300 0.086 0.000 1.128 214 R CA 1.248 57.428 56.100 0.134 0.000 1.048 214 R CB -0.196 30.238 30.300 0.223 0.000 0.835 214 R HN 0.417 nan 8.270 nan 0.000 0.483 215 V N -7.588 112.395 119.914 0.115 0.000 3.142 215 V HA 0.173 4.293 4.120 -0.000 0.000 0.250 215 V C 1.685 177.815 176.094 0.059 0.000 1.774 215 V CA 0.386 62.724 62.300 0.063 0.000 1.003 215 V CB -0.587 31.285 31.823 0.083 0.000 0.935 215 V HN 0.063 nan 8.190 nan 0.000 0.371 216 G N 0.009 108.839 108.800 0.050 0.000 2.432 216 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 216 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 216 G C 1.208 176.077 174.900 -0.051 0.000 1.135 216 G CA 1.416 46.505 45.100 -0.018 0.000 0.767 216 G HN 0.635 nan 8.290 nan 0.000 0.550 217 H N 0.257 119.343 119.070 0.026 0.000 2.545 217 H HA 0.150 4.706 4.556 -0.000 0.000 0.282 217 H C 2.241 177.574 175.328 0.009 0.000 1.020 217 H CA 0.962 57.020 56.048 0.018 0.000 1.243 217 H CB 0.289 30.058 29.762 0.011 0.000 1.377 217 H HN 0.441 nan 8.280 nan 0.000 0.581 218 A N 0.172 123.049 122.820 0.096 0.000 2.508 218 A HA 0.228 4.548 4.320 -0.000 0.000 0.250 218 A C 0.272 177.872 177.584 0.027 0.000 1.208 218 A CA -0.153 51.913 52.037 0.048 0.000 0.960 218 A CB 0.796 19.807 19.000 0.019 0.000 1.099 218 A HN 0.023 nan 8.150 nan 0.000 0.542 219 L N 1.585 122.825 121.223 0.029 0.000 2.296 219 L HA 0.495 4.835 4.340 -0.000 0.000 0.286 219 L C -0.512 176.386 176.870 0.048 0.000 1.023 219 L CA -0.106 54.752 54.840 0.030 0.000 0.812 219 L CB 1.341 43.414 42.059 0.024 0.000 1.223 219 L HN 0.258 nan 8.230 nan 0.000 0.421 220 R N 4.019 124.554 120.500 0.058 0.000 2.346 220 R HA 0.297 4.637 4.340 -0.000 0.000 0.311 220 R C 1.108 177.477 176.300 0.116 0.000 0.983 220 R CA -0.472 55.671 56.100 0.072 0.000 0.880 220 R CB 1.939 32.273 30.300 0.056 0.000 1.100 220 R HN 0.714 nan 8.270 nan 0.000 0.453 221 I N -0.052 120.605 120.570 0.145 0.000 3.083 221 I HA -0.004 4.166 4.170 -0.000 0.000 0.273 221 I C 1.352 177.565 176.117 0.160 0.000 1.297 221 I CA 0.927 62.369 61.300 0.236 0.000 1.452 221 I CB -0.099 38.029 38.000 0.212 0.000 1.078 221 I HN 0.597 nan 8.210 nan 0.000 0.484 222 G N 2.601 111.462 108.800 0.102 0.000 2.808 222 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.211 222 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.211 222 G C -0.634 174.318 174.900 0.087 0.000 1.364 222 G CA 1.054 46.197 45.100 0.072 0.000 0.824 222 G HN 0.329 nan 8.290 nan 0.000 0.630 223 P HA -0.094 nan 4.420 nan 0.000 0.218 223 P C 2.022 179.392 177.300 0.117 0.000 1.146 223 P CA 0.966 64.116 63.100 0.084 0.000 0.813 223 P CB -0.001 31.739 31.700 0.067 0.000 0.778 224 M N -1.578 118.115 119.600 0.155 0.000 2.460 224 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 224 M C 1.583 178.078 176.300 0.326 0.000 1.071 224 M CA 1.364 56.800 55.300 0.227 0.000 1.096 224 M CB -0.919 31.839 32.600 0.264 0.000 1.408 224 M HN 0.039 nan 8.290 nan 0.000 0.463 225 L N -1.466 119.889 121.223 0.220 0.000 2.731 225 L HA 0.116 4.456 4.340 -0.000 0.000 0.240 225 L C 1.543 178.465 176.870 0.086 0.000 1.120 225 L CA 0.166 55.085 54.840 0.132 0.000 0.913 225 L CB 0.168 42.230 42.059 0.004 0.000 1.213 225 L HN 0.010 nan 8.230 nan 0.000 0.515 226 S N -0.005 115.749 115.700 0.091 0.000 2.527 226 S HA 0.153 4.623 4.470 -0.000 0.000 0.222 226 S C 0.600 175.248 174.600 0.079 0.000 0.985 226 S CA -0.180 58.062 58.200 0.070 0.000 0.921 226 S CB -0.162 63.076 63.200 0.063 0.000 0.772 226 S HN 0.245 nan 8.310 nan 0.000 0.529 227 R N 2.381 122.942 120.500 0.102 0.000 2.522 227 R HA 0.054 4.394 4.340 -0.000 0.000 0.284 227 R C 0.749 177.104 176.300 0.092 0.000 1.032 227 R CA -0.025 56.139 56.100 0.106 0.000 1.049 227 R CB 0.044 30.420 30.300 0.128 0.000 0.956 227 R HN 0.159 nan 8.270 nan 0.000 0.422 228 D N 1.923 122.372 120.400 0.083 0.000 2.104 228 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 228 D C 0.892 177.231 176.300 0.066 0.000 0.994 228 D CA 2.021 56.060 54.000 0.066 0.000 0.830 228 D CB 0.235 41.071 40.800 0.060 0.000 0.959 228 D HN 0.566 nan 8.370 nan 0.000 0.452 229 T N -0.439 114.162 114.554 0.078 0.000 2.736 229 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 229 T C 1.940 176.681 174.700 0.069 0.000 1.031 229 T CA 1.686 63.830 62.100 0.073 0.000 1.155 229 T CB -0.506 68.416 68.868 0.090 0.000 0.849 229 T HN 0.023 nan 8.240 nan 0.000 0.471 230 V N 0.930 120.894 119.914 0.083 0.000 2.284 230 V HA -0.067 4.053 4.120 -0.000 0.000 0.236 230 V C 2.295 178.416 176.094 0.045 0.000 1.044 230 V CA 1.427 63.774 62.300 0.078 0.000 1.019 230 V CB -0.648 31.236 31.823 0.102 0.000 0.657 230 V HN 0.306 nan 8.190 nan 0.000 0.465 231 K N 0.982 121.406 120.400 0.039 0.000 2.148 231 K HA -0.299 4.021 4.320 -0.000 0.000 0.213 231 K C 1.834 178.445 176.600 0.018 0.000 1.050 231 K CA 2.583 58.883 56.287 0.022 0.000 0.932 231 K CB -0.544 31.972 32.500 0.026 0.000 0.717 231 K HN 0.599 nan 8.250 nan 0.000 0.462 232 N N 0.206 118.921 118.700 0.025 0.000 2.080 232 N HA -0.143 4.597 4.740 -0.000 0.000 0.189 232 N C 1.270 176.790 175.510 0.016 0.000 1.036 232 N CA 0.605 53.666 53.050 0.019 0.000 0.846 232 N CB -0.063 38.437 38.487 0.022 0.000 1.015 232 N HN -0.030 nan 8.380 nan 0.000 0.423 233 K N 0.976 121.389 120.400 0.022 0.000 2.720 233 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 233 K C 0.693 177.300 176.600 0.013 0.000 1.000 233 K CA 0.630 56.929 56.287 0.020 0.000 1.067 233 K CB -0.178 32.340 32.500 0.030 0.000 0.861 233 K HN 0.294 nan 8.250 nan 0.000 0.492 234 M N -3.743 115.861 119.600 0.007 0.000 1.943 234 M HA 0.039 4.519 4.480 -0.000 0.000 0.186 234 M C 1.408 177.706 176.300 -0.003 0.000 1.568 234 M CA 0.181 55.480 55.300 -0.003 0.000 0.920 234 M CB 0.251 32.843 32.600 -0.013 0.000 1.543 234 M HN -0.084 nan 8.290 nan 0.000 0.584 235 T N 0.511 115.065 114.554 -0.001 0.000 2.590 235 T HA -0.010 4.340 4.350 -0.000 0.000 0.257 235 T C 0.962 175.662 174.700 0.002 0.000 1.080 235 T CA 0.858 62.958 62.100 -0.000 0.000 1.180 235 T CB -0.211 68.659 68.868 0.002 0.000 0.865 235 T HN 0.147 nan 8.240 nan 0.000 0.403 236 Q N 0.970 120.773 119.800 0.004 0.000 2.454 236 Q HA 0.407 4.747 4.340 -0.000 0.000 0.247 236 Q C 1.284 177.287 176.000 0.004 0.000 1.028 236 Q CA 0.929 56.735 55.803 0.005 0.000 0.910 236 Q CB 0.199 28.941 28.738 0.006 0.000 1.276 236 Q HN 0.685 nan 8.270 nan 0.000 0.489 237 G N 2.833 111.635 108.800 0.004 0.000 2.596 237 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.295 237 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.295 237 G C 0.155 175.057 174.900 0.003 0.000 1.240 237 G CA 0.521 45.623 45.100 0.004 0.000 0.985 237 G HN 0.794 nan 8.290 nan 0.000 0.555 238 D N 0.780 121.182 120.400 0.004 0.000 2.358 238 D HA 0.557 5.197 4.640 -0.000 0.000 0.287 238 D C 0.942 177.245 176.300 0.004 0.000 1.181 238 D CA 0.501 54.504 54.000 0.004 0.000 1.103 238 D CB -0.028 40.776 40.800 0.006 0.000 1.168 238 D HN 1.304 nan 8.370 nan 0.000 0.552 239 G N -1.369 107.434 108.800 0.006 0.000 2.644 239 G HA2 0.457 4.417 3.960 -0.000 0.000 0.307 239 G HA3 0.457 4.417 3.960 -0.000 0.000 0.307 239 G C -1.411 173.498 174.900 0.015 0.000 1.250 239 G CA -0.679 44.424 45.100 0.005 0.000 0.996 239 G HN 0.373 nan 8.290 nan 0.000 0.489 240 V N 0.732 120.655 119.914 0.015 0.000 2.326 240 V HA 0.576 4.696 4.120 -0.000 0.000 0.281 240 V C 0.679 176.813 176.094 0.067 0.000 1.015 240 V CA -0.429 61.896 62.300 0.041 0.000 0.823 240 V CB 0.582 32.428 31.823 0.039 0.000 1.009 240 V HN 1.025 nan 8.190 nan 0.000 0.436 241 S N 5.553 121.310 115.700 0.095 0.000 2.580 241 S HA 0.066 4.536 4.470 -0.000 0.000 0.261 241 S C 0.878 175.635 174.600 0.261 0.000 1.366 241 S CA 0.296 58.579 58.200 0.138 0.000 0.996 241 S CB 0.466 63.731 63.200 0.109 0.000 0.902 241 S HN 0.818 nan 8.310 nan 0.000 0.566 242 F N 2.521 122.525 119.950 0.089 0.000 2.163 242 F HA 0.143 4.670 4.527 -0.000 0.000 0.297 242 F C 2.194 178.090 175.800 0.160 0.000 1.094 242 F CA 1.008 59.099 58.000 0.153 0.000 1.290 242 F CB -1.485 37.575 39.000 0.100 0.000 1.017 242 F HN 0.736 nan 8.300 nan 0.000 0.483 243 A N 1.328 124.187 122.820 0.066 0.000 1.844 243 A HA -0.301 4.019 4.320 -0.000 0.000 0.214 243 A C 2.125 179.696 177.584 -0.021 0.000 1.217 243 A CA 2.358 54.343 52.037 -0.088 0.000 0.644 243 A CB -1.532 17.454 19.000 -0.024 0.000 0.850 243 A HN 0.576 nan 8.150 nan 0.000 0.456 244 E N -1.024 119.214 120.200 0.063 0.000 2.208 244 E HA -0.309 4.041 4.350 -0.000 0.000 0.202 244 E C 1.836 178.543 176.600 0.178 0.000 1.014 244 E CA 1.720 58.181 56.400 0.100 0.000 0.819 244 E CB -0.784 28.962 29.700 0.077 0.000 0.735 244 E HN 0.700 nan 8.360 nan 0.000 0.469 245 F N 2.215 122.199 119.950 0.056 0.000 2.161 245 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 245 F C 1.905 177.741 175.800 0.060 0.000 1.089 245 F CA 1.710 59.764 58.000 0.091 0.000 1.282 245 F CB 0.000 39.106 39.000 0.175 0.000 1.010 245 F HN -0.054 nan 8.300 nan 0.000 0.485 246 T N -0.478 113.964 114.554 -0.188 0.000 3.055 246 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 246 T C 1.360 175.961 174.700 -0.165 0.000 1.111 246 T CA 0.907 62.803 62.100 -0.340 0.000 1.118 246 T CB -0.665 67.943 68.868 -0.433 0.000 0.909 246 T HN 0.542 nan 8.240 nan 0.000 0.501 247 Y N 3.841 124.051 120.300 -0.150 0.000 2.102 247 Y HA -0.200 4.350 4.550 -0.000 0.000 0.280 247 Y C -0.621 175.267 175.900 -0.020 0.000 1.178 247 Y CA 1.762 59.817 58.100 -0.076 0.000 1.146 247 Y CB -1.156 37.289 38.460 -0.025 0.000 0.968 247 Y HN 0.180 nan 8.280 nan 0.000 0.504 248 P HA -0.224 nan 4.420 nan 0.000 0.215 248 P C 1.576 178.881 177.300 0.008 0.000 1.153 248 P CA 2.208 65.372 63.100 0.107 0.000 0.853 248 P CB -0.274 31.488 31.700 0.103 0.000 0.788 249 I N -1.028 119.512 120.570 -0.051 0.000 2.142 249 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 249 I C 2.693 178.890 176.117 0.132 0.000 1.078 249 I CA 1.391 62.697 61.300 0.010 0.000 1.343 249 I CB -1.863 36.099 38.000 -0.063 0.000 1.046 249 I HN -0.068 nan 8.210 nan 0.000 0.405 250 M N 0.585 120.216 119.600 0.051 0.000 2.255 250 M HA -0.306 4.174 4.480 -0.000 0.000 0.260 250 M C 2.402 178.912 176.300 0.350 0.000 1.069 250 M CA 2.003 57.431 55.300 0.213 0.000 1.089 250 M CB -1.556 30.944 32.600 -0.166 0.000 1.269 250 M HN 0.263 nan 8.290 nan 0.000 0.434 251 Q N -0.101 119.725 119.800 0.042 0.000 2.325 251 Q HA -0.127 4.213 4.340 -0.000 0.000 0.211 251 Q C 1.815 178.007 176.000 0.321 0.000 0.988 251 Q CA 2.020 57.897 55.803 0.124 0.000 0.887 251 Q CB -0.511 28.163 28.738 -0.107 0.000 0.915 251 Q HN 0.647 nan 8.270 nan 0.000 0.440 252 G N -0.485 108.491 108.800 0.293 0.000 2.395 252 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.214 252 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.214 252 G C 1.031 176.145 174.900 0.357 0.000 1.177 252 G CA 0.421 45.706 45.100 0.308 0.000 0.794 252 G HN 0.522 nan 8.290 nan 0.000 0.532 253 W N 1.838 123.270 121.300 0.220 0.000 2.355 253 W HA -0.112 4.548 4.660 -0.000 0.000 0.309 253 W C 1.793 178.376 176.519 0.107 0.000 1.206 253 W CA 1.804 59.264 57.345 0.192 0.000 1.284 253 W CB -0.355 29.239 29.460 0.224 0.000 1.145 253 W HN 0.210 nan 8.180 nan 0.000 0.502 254 D N -0.094 120.593 120.400 0.478 0.000 2.204 254 D HA -0.291 4.349 4.640 -0.000 0.000 0.189 254 D C 1.723 177.997 176.300 -0.044 0.000 1.006 254 D CA 2.150 56.298 54.000 0.248 0.000 0.855 254 D CB -1.364 39.730 40.800 0.490 0.000 0.946 254 D HN 0.187 nan 8.370 nan 0.000 0.448 255 W N 1.061 122.320 121.300 -0.067 0.000 2.298 255 W HA -0.304 4.356 4.660 -0.000 0.000 0.328 255 W C 2.207 178.637 176.519 -0.147 0.000 1.259 255 W CA 1.112 58.395 57.345 -0.105 0.000 1.251 255 W CB -1.455 28.061 29.460 0.093 0.000 1.161 255 W HN 0.057 nan 8.180 nan 0.000 0.466 256 F N 2.124 122.027 119.950 -0.077 0.000 2.045 256 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 256 F C 2.312 177.932 175.800 -0.300 0.000 1.114 256 F CA 2.697 60.507 58.000 -0.317 0.000 1.207 256 F CB -1.065 37.489 39.000 -0.743 0.000 0.964 256 F HN -0.101 nan 8.300 nan 0.000 0.486 257 E N 0.760 120.485 120.200 -0.792 0.000 2.045 257 E HA -0.283 4.067 4.350 -0.000 0.000 0.212 257 E C 2.454 178.705 176.600 -0.582 0.000 1.039 257 E CA 2.137 57.980 56.400 -0.929 0.000 0.860 257 E CB -1.181 27.660 29.700 -1.432 0.000 0.776 257 E HN 0.509 nan 8.360 nan 0.000 0.467 258 L N 0.004 120.925 121.223 -0.503 0.000 2.051 258 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 258 L C 2.556 179.299 176.870 -0.212 0.000 1.076 258 L CA 1.604 56.191 54.840 -0.422 0.000 0.758 258 L CB -0.478 41.261 42.059 -0.535 0.000 0.890 258 L HN 0.129 nan 8.230 nan 0.000 0.433 259 F N -1.300 118.572 119.950 -0.130 0.000 2.216 259 F HA -0.293 4.234 4.527 -0.000 0.000 0.300 259 F C 2.390 178.169 175.800 -0.034 0.000 1.085 259 F CA 1.241 59.243 58.000 0.003 0.000 1.326 259 F CB -0.099 38.961 39.000 0.101 0.000 1.027 259 F HN 0.056 nan 8.300 nan 0.000 0.497 260 Y N 1.175 121.197 120.300 -0.464 0.000 2.201 260 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 260 Y C 2.213 177.852 175.900 -0.434 0.000 1.119 260 Y CA 1.508 59.275 58.100 -0.556 0.000 1.127 260 Y CB -0.956 37.077 38.460 -0.711 0.000 1.019 260 Y HN 0.101 nan 8.280 nan 0.000 0.514 261 Q N -0.593 118.882 119.800 -0.542 0.000 2.482 261 Q HA -0.059 4.281 4.340 -0.000 0.000 0.209 261 Q C 0.713 176.506 176.000 -0.345 0.000 0.961 261 Q CA 0.763 56.242 55.803 -0.540 0.000 0.945 261 Q CB 0.337 28.817 28.738 -0.430 0.000 1.012 261 Q HN 0.551 nan 8.270 nan 0.000 0.515 262 Q N -2.303 117.313 119.800 -0.306 0.000 1.784 262 Q HA 0.095 4.435 4.340 -0.000 0.000 0.191 262 Q C 0.373 176.325 176.000 -0.080 0.000 0.694 262 Q CA 0.807 56.512 55.803 -0.164 0.000 0.794 262 Q CB 1.641 30.228 28.738 -0.252 0.000 1.209 262 Q HN 0.362 nan 8.270 nan 0.000 0.406 263 G N 1.405 110.109 108.800 -0.160 0.000 2.167 263 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.194 263 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.194 263 G C -0.168 174.824 174.900 0.153 0.000 1.027 263 G CA 0.216 45.270 45.100 -0.077 0.000 0.717 263 G HN 0.074 nan 8.290 nan 0.000 0.501 264 V N 1.029 121.043 119.914 0.168 0.000 2.368 264 V HA 0.455 4.575 4.120 -0.000 0.000 0.266 264 V C 0.785 177.247 176.094 0.613 0.000 1.045 264 V CA 0.600 63.080 62.300 0.299 0.000 0.899 264 V CB 1.066 32.916 31.823 0.045 0.000 1.006 264 V HN 0.630 nan 8.190 nan 0.000 0.470 265 Q N 4.825 124.990 119.800 0.610 0.000 2.324 265 Q HA 0.638 4.978 4.340 -0.000 0.000 0.373 265 Q C -0.412 175.989 176.000 0.668 0.000 0.909 265 Q CA -0.166 56.029 55.803 0.653 0.000 1.135 265 Q CB 1.159 30.168 28.738 0.451 0.000 1.313 265 Q HN 0.704 nan 8.270 nan 0.000 0.417 266 M N 0.868 120.882 119.600 0.691 0.000 2.342 266 M HA 0.254 4.734 4.480 -0.000 0.000 0.276 266 M C -2.361 173.846 176.300 -0.156 0.000 1.054 266 M CA -0.185 55.385 55.300 0.449 0.000 0.930 266 M CB 2.465 35.289 32.600 0.374 0.000 1.929 266 M HN 0.323 nan 8.290 nan 0.000 0.492 267 Q N 3.920 123.371 119.800 -0.583 0.000 2.257 267 Q HA 0.804 5.144 4.340 -0.000 0.000 0.262 267 Q C -1.750 173.892 176.000 -0.597 0.000 0.997 267 Q CA -0.604 54.660 55.803 -0.899 0.000 0.873 267 Q CB 2.000 29.936 28.738 -1.338 0.000 1.312 267 Q HN 0.799 nan 8.270 nan 0.000 0.450 268 I N 3.096 123.244 120.570 -0.702 0.000 2.476 268 I HA 0.546 4.716 4.170 -0.000 0.000 0.281 268 I C -0.063 175.719 176.117 -0.559 0.000 1.040 268 I CA -0.665 60.178 61.300 -0.761 0.000 1.094 268 I CB 1.723 39.274 38.000 -0.748 0.000 1.219 268 I HN 0.697 nan 8.210 nan 0.000 0.450 269 G N 3.326 111.879 108.800 -0.410 0.000 2.685 269 G HA2 0.672 4.632 3.960 -0.000 0.000 0.298 269 G HA3 0.672 4.632 3.960 -0.000 0.000 0.298 269 G C -0.148 174.678 174.900 -0.122 0.000 1.277 269 G CA -0.853 44.107 45.100 -0.234 0.000 0.986 269 G HN 0.624 nan 8.290 nan 0.000 0.487 270 G N -0.773 108.005 108.800 -0.037 0.000 2.630 270 G HA2 0.340 4.300 3.960 -0.000 0.000 0.236 270 G HA3 0.340 4.300 3.960 -0.000 0.000 0.236 270 G C 1.471 176.397 174.900 0.042 0.000 1.248 270 G CA 0.792 45.903 45.100 0.018 0.000 0.844 270 G HN 1.346 nan 8.290 nan 0.000 0.588 271 S N -0.141 115.589 115.700 0.050 0.000 2.402 271 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 271 S C 1.680 176.335 174.600 0.091 0.000 1.030 271 S CA 1.971 60.209 58.200 0.063 0.000 1.003 271 S CB -0.223 63.001 63.200 0.040 0.000 0.813 271 S HN 0.809 nan 8.310 nan 0.000 0.477 272 D N 0.461 120.914 120.400 0.088 0.000 2.216 272 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 272 D C 1.667 178.053 176.300 0.143 0.000 0.960 272 D CA 0.477 54.539 54.000 0.104 0.000 0.861 272 D CB -0.715 40.128 40.800 0.072 0.000 0.985 272 D HN 0.289 nan 8.370 nan 0.000 0.493 273 Q N -0.153 119.718 119.800 0.118 0.000 2.585 273 Q HA -0.172 4.168 4.340 -0.000 0.000 0.219 273 Q C 1.316 177.398 176.000 0.136 0.000 0.984 273 Q CA 0.236 56.110 55.803 0.119 0.000 0.915 273 Q CB -0.619 28.166 28.738 0.077 0.000 0.967 273 Q HN 0.524 nan 8.270 nan 0.000 0.530 274 Y N 0.737 121.072 120.300 0.059 0.000 2.014 274 Y HA -0.311 4.239 4.550 0.000 0.000 0.272 274 Y C 2.289 178.246 175.900 0.096 0.000 1.164 274 Y CA 2.222 60.366 58.100 0.074 0.000 1.114 274 Y CB -0.808 37.695 38.460 0.072 0.000 0.961 274 Y HN 0.175 nan 8.280 nan 0.000 0.489 275 G N -0.009 108.877 108.800 0.144 0.000 2.574 275 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.220 275 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.220 275 G C 1.515 176.420 174.900 0.007 0.000 1.173 275 G CA 1.480 46.616 45.100 0.060 0.000 0.772 275 G HN 0.637 nan 8.290 nan 0.000 0.585 276 N N 0.323 119.073 118.700 0.083 0.000 2.094 276 N HA -0.119 4.621 4.740 -0.000 0.000 0.191 276 N C 2.243 177.805 175.510 0.087 0.000 1.023 276 N CA 1.124 54.247 53.050 0.121 0.000 0.857 276 N CB -0.254 38.353 38.487 0.200 0.000 1.013 276 N HN 0.376 nan 8.380 nan 0.000 0.426 277 I N 1.001 121.582 120.570 0.018 0.000 2.335 277 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 277 I C 1.803 177.937 176.117 0.028 0.000 1.129 277 I CA 0.728 62.064 61.300 0.059 0.000 1.402 277 I CB -0.253 37.716 38.000 -0.052 0.000 1.069 277 I HN 0.157 nan 8.210 nan 0.000 0.424 278 I N 0.321 120.811 120.570 -0.134 0.000 2.260 278 I HA -0.136 4.034 4.170 -0.000 0.000 0.237 278 I C 2.672 178.766 176.117 -0.039 0.000 1.075 278 I CA 1.212 62.439 61.300 -0.122 0.000 1.376 278 I CB -1.485 36.413 38.000 -0.170 0.000 1.107 278 I HN 0.089 nan 8.210 nan 0.000 0.420 279 S N 1.350 117.049 115.700 -0.003 0.000 2.407 279 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 279 S C 2.074 176.689 174.600 0.025 0.000 1.036 279 S CA 1.431 59.644 58.200 0.022 0.000 1.013 279 S CB -0.845 62.387 63.200 0.054 0.000 0.820 279 S HN 0.658 nan 8.310 nan 0.000 0.476 280 G N 1.631 110.473 108.800 0.071 0.000 2.464 280 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 280 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 280 G C 1.288 176.163 174.900 -0.042 0.000 1.218 280 G CA 0.570 45.744 45.100 0.124 0.000 0.794 280 G HN 0.435 nan 8.290 nan 0.000 0.542 281 L N 0.451 121.587 121.223 -0.144 0.000 2.123 281 L HA -0.246 4.094 4.340 -0.000 0.000 0.217 281 L C 2.932 179.614 176.870 -0.313 0.000 1.081 281 L CA 1.690 56.279 54.840 -0.418 0.000 0.772 281 L CB -0.385 41.483 42.059 -0.319 0.000 0.890 281 L HN 0.388 nan 8.230 nan 0.000 0.437 282 E N -0.734 119.361 120.200 -0.173 0.000 2.023 282 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 282 E C 2.171 178.673 176.600 -0.163 0.000 1.003 282 E CA 1.790 58.108 56.400 -0.138 0.000 0.809 282 E CB -0.229 29.430 29.700 -0.068 0.000 0.755 282 E HN 0.279 nan 8.360 nan 0.000 0.449 283 V N 1.033 120.873 119.914 -0.124 0.000 2.380 283 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 283 V C 2.348 178.268 176.094 -0.291 0.000 1.063 283 V CA 1.365 63.591 62.300 -0.123 0.000 1.055 283 V CB -0.540 31.285 31.823 0.005 0.000 0.657 283 V HN 0.147 nan 8.190 nan 0.000 0.455 284 V N -0.009 119.687 119.914 -0.364 0.000 2.252 284 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 284 V C 2.523 178.296 176.094 -0.535 0.000 1.056 284 V CA 2.550 64.528 62.300 -0.537 0.000 1.022 284 V CB -0.642 30.723 31.823 -0.764 0.000 0.641 284 V HN 0.569 nan 8.190 nan 0.000 0.445 285 K N 1.146 121.293 120.400 -0.421 0.000 1.965 285 K HA -0.139 4.181 4.320 -0.000 0.000 0.218 285 K C 2.124 178.541 176.600 -0.305 0.000 1.048 285 K CA 2.206 58.293 56.287 -0.334 0.000 0.960 285 K CB -1.283 31.071 32.500 -0.243 0.000 0.732 285 K HN 0.324 nan 8.250 nan 0.000 0.444 286 A N 0.588 123.260 122.820 -0.248 0.000 2.009 286 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 286 A C 2.341 179.752 177.584 -0.288 0.000 1.175 286 A CA 2.777 54.693 52.037 -0.203 0.000 0.651 286 A CB -1.238 17.680 19.000 -0.136 0.000 0.815 286 A HN 0.553 nan 8.150 nan 0.000 0.459 287 A N -0.075 122.451 122.820 -0.491 0.000 1.832 287 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 287 A C 2.130 179.351 177.584 -0.605 0.000 1.200 287 A CA 1.481 53.020 52.037 -0.830 0.000 0.610 287 A CB -0.553 17.380 19.000 -1.779 0.000 0.842 287 A HN 0.568 nan 8.150 nan 0.000 0.444 288 R N -0.241 119.979 120.500 -0.466 0.000 2.261 288 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 288 R C 1.833 178.059 176.300 -0.124 0.000 1.141 288 R CA 1.302 57.300 56.100 -0.171 0.000 1.001 288 R CB -0.182 30.046 30.300 -0.120 0.000 0.866 288 R HN 0.576 nan 8.270 nan 0.000 0.468 289 E N 0.199 120.300 120.200 -0.165 0.000 2.057 289 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 289 E C 2.152 178.696 176.600 -0.094 0.000 0.969 289 E CA 1.323 57.658 56.400 -0.109 0.000 0.812 289 E CB -0.084 29.551 29.700 -0.108 0.000 0.777 289 E HN 0.305 nan 8.360 nan 0.000 0.455 290 S N 1.402 117.030 115.700 -0.120 0.000 2.402 290 S HA -0.223 4.247 4.470 -0.000 0.000 0.233 290 S C 1.083 175.648 174.600 -0.060 0.000 1.030 290 S CA 0.821 58.971 58.200 -0.083 0.000 1.003 290 S CB -0.446 62.702 63.200 -0.086 0.000 0.813 290 S HN 0.088 nan 8.310 nan 0.000 0.477 291 E N 4.400 124.557 120.200 -0.071 0.000 3.250 291 E HA -0.035 4.315 4.350 -0.000 0.000 0.244 291 E C -0.816 175.772 176.600 -0.021 0.000 0.931 291 E CA -0.809 55.569 56.400 -0.038 0.000 0.954 291 E CB 0.416 30.099 29.700 -0.029 0.000 0.894 291 E HN 0.313 nan 8.360 nan 0.000 0.560 292 P HA -0.157 nan 4.420 nan 0.000 0.210 292 P C 0.081 177.380 177.300 -0.001 0.000 1.191 292 P CA 0.766 63.863 63.100 -0.005 0.000 0.917 292 P CB -0.088 31.614 31.700 0.004 0.000 0.778 293 D N 0.932 121.333 120.400 0.002 0.000 2.412 293 D HA -0.003 4.637 4.640 -0.000 0.000 0.257 293 D C -1.044 175.268 176.300 0.019 0.000 1.217 293 D CA -1.707 52.298 54.000 0.009 0.000 0.897 293 D CB 0.790 41.595 40.800 0.009 0.000 1.132 293 D HN 0.085 nan 8.370 nan 0.000 0.493 294 P HA -0.238 nan 4.420 nan 0.000 0.211 294 P C 1.221 178.557 177.300 0.059 0.000 1.179 294 P CA 1.381 64.499 63.100 0.029 0.000 0.910 294 P CB 0.229 31.941 31.700 0.020 0.000 0.785 295 Q N -0.292 119.548 119.800 0.066 0.000 2.182 295 Q HA -0.242 4.098 4.340 -0.000 0.000 0.213 295 Q C 2.289 178.402 176.000 0.190 0.000 1.000 295 Q CA 1.712 57.583 55.803 0.113 0.000 0.889 295 Q CB -0.471 28.314 28.738 0.079 0.000 0.932 295 Q HN 0.463 nan 8.270 nan 0.000 0.415 296 E N 0.425 120.697 120.200 0.120 0.000 2.046 296 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 296 E C 2.033 178.752 176.600 0.200 0.000 0.982 296 E CA 0.603 57.082 56.400 0.131 0.000 0.800 296 E CB -0.118 29.602 29.700 0.033 0.000 0.756 296 E HN 0.310 nan 8.360 nan 0.000 0.449 297 R N 1.076 121.644 120.500 0.113 0.000 2.133 297 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 297 R C 2.344 178.705 176.300 0.102 0.000 1.151 297 R CA 1.240 57.390 56.100 0.083 0.000 0.971 297 R CB -0.217 30.105 30.300 0.036 0.000 0.866 297 R HN 0.021 nan 8.270 nan 0.000 0.447 298 K N -0.611 119.862 120.400 0.121 0.000 2.366 298 K HA -0.219 4.101 4.320 -0.000 0.000 0.202 298 K C 0.727 177.168 176.600 -0.266 0.000 1.045 298 K CA 1.495 57.753 56.287 -0.048 0.000 0.934 298 K CB 0.126 32.594 32.500 -0.052 0.000 0.746 298 K HN 0.263 nan 8.250 nan 0.000 0.470 299 Y N -1.935 118.381 120.300 0.026 0.000 2.697 299 Y HA -0.054 4.496 4.550 -0.000 0.000 0.268 299 Y C 1.939 177.878 175.900 0.064 0.000 1.092 299 Y CA 0.118 58.238 58.100 0.034 0.000 1.304 299 Y CB -0.441 38.028 38.460 0.015 0.000 1.446 299 Y HN -0.152 nan 8.280 nan 0.000 0.491 300 V N -1.333 118.731 119.914 0.251 0.000 2.720 300 V HA -0.081 4.039 4.120 -0.000 0.000 0.256 300 V C 0.486 176.722 176.094 0.237 0.000 1.082 300 V CA 1.241 63.678 62.300 0.229 0.000 1.101 300 V CB -1.475 30.430 31.823 0.136 0.000 0.693 300 V HN 0.257 nan 8.190 nan 0.000 0.479 301 T N 2.638 117.271 114.554 0.132 0.000 2.845 301 T HA 0.411 4.761 4.350 -0.000 0.000 0.288 301 T C -2.552 172.183 174.700 0.058 0.000 0.980 301 T CA -0.930 61.207 62.100 0.063 0.000 1.071 301 T CB 1.271 70.150 68.868 0.018 0.000 0.941 301 T HN 0.259 nan 8.240 nan 0.000 0.487 302 P HA 0.123 nan 4.420 nan 0.000 0.263 302 P C 0.389 177.691 177.300 0.004 0.000 1.276 302 P CA 0.115 63.218 63.100 0.005 0.000 0.986 302 P CB 0.294 31.963 31.700 -0.051 0.000 1.105 303 K N 0.822 121.231 120.400 0.015 0.000 2.049 303 K HA 0.027 4.347 4.320 -0.000 0.000 0.214 303 K C 1.290 177.890 176.600 0.000 0.000 1.026 303 K CA 0.793 57.078 56.287 -0.003 0.000 0.954 303 K CB -0.673 31.816 32.500 -0.018 0.000 0.838 303 K HN 0.310 nan 8.250 nan 0.000 0.450 304 T N -0.723 113.836 114.554 0.009 0.000 2.771 304 T HA 0.249 4.599 4.350 -0.000 0.000 0.290 304 T C 1.082 175.794 174.700 0.020 0.000 1.005 304 T CA 0.137 62.242 62.100 0.009 0.000 0.944 304 T CB 1.133 70.007 68.868 0.011 0.000 1.147 304 T HN 0.302 nan 8.240 nan 0.000 0.534 305 A N 0.686 123.511 122.820 0.008 0.000 2.168 305 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 305 A C 2.110 179.732 177.584 0.064 0.000 1.152 305 A CA 0.902 52.944 52.037 0.008 0.000 0.716 305 A CB -0.724 18.238 19.000 -0.064 0.000 0.794 305 A HN 0.688 nan 8.150 nan 0.000 0.465 306 L N -0.108 121.157 121.223 0.069 0.000 2.093 306 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 306 L C 0.545 177.505 176.870 0.151 0.000 1.085 306 L CA 1.235 56.146 54.840 0.117 0.000 0.755 306 L CB -0.438 41.678 42.059 0.096 0.000 0.904 306 L HN 0.173 nan 8.230 nan 0.000 0.435 307 D N 0.569 121.042 120.400 0.121 0.000 2.652 307 D HA 0.007 4.647 4.640 -0.000 0.000 0.247 307 D C 0.187 176.533 176.300 0.076 0.000 1.232 307 D CA 0.297 54.377 54.000 0.133 0.000 0.863 307 D CB -0.304 40.570 40.800 0.123 0.000 1.023 307 D HN 0.236 nan 8.370 nan 0.000 0.474 308 E N 0.485 120.747 120.200 0.103 0.000 2.146 308 E HA 0.169 4.519 4.350 -0.000 0.000 0.282 308 E C -0.124 176.457 176.600 -0.033 0.000 0.989 308 E CA -0.511 55.908 56.400 0.031 0.000 0.799 308 E CB 1.375 31.173 29.700 0.164 0.000 1.088 308 E HN 0.240 nan 8.360 nan 0.000 0.397 309 C N 3.055 122.276 119.300 -0.133 0.000 2.281 309 C HA 0.621 5.081 4.460 -0.000 0.000 0.336 309 C C 0.805 175.775 174.990 -0.034 0.000 1.217 309 C CA -1.193 57.785 59.018 -0.066 0.000 1.730 309 C CB -1.251 26.309 27.740 -0.301 0.000 2.338 309 C HN 0.409 nan 8.230 nan 0.000 0.521 310 V N 1.614 121.596 119.914 0.112 0.000 2.850 310 V HA 1.059 5.179 4.120 -0.000 0.000 0.315 310 V C 0.218 176.544 176.094 0.386 0.000 1.064 310 V CA -0.108 62.266 62.300 0.125 0.000 0.979 310 V CB 1.411 33.207 31.823 -0.045 0.000 1.039 310 V HN 1.260 nan 8.190 nan 0.000 0.452 311 G N 2.030 111.048 108.800 0.363 0.000 2.682 311 G HA2 0.771 4.731 3.960 -0.000 0.000 0.300 311 G HA3 0.771 4.731 3.960 -0.000 0.000 0.300 311 G C -1.423 173.692 174.900 0.358 0.000 1.391 311 G CA -0.640 44.669 45.100 0.348 0.000 0.990 311 G HN 1.400 nan 8.290 nan 0.000 0.501 312 F N -0.077 119.982 119.950 0.181 0.000 2.603 312 F HA 0.885 5.412 4.527 -0.000 0.000 0.317 312 F C -0.308 175.572 175.800 0.134 0.000 1.066 312 F CA -1.227 56.911 58.000 0.230 0.000 0.941 312 F CB 2.358 41.584 39.000 0.376 0.000 1.291 312 F HN 0.556 nan 8.300 nan 0.000 0.472 313 T N 2.441 117.165 114.554 0.283 0.000 2.807 313 T HA 0.620 4.970 4.350 -0.000 0.000 0.279 313 T C -0.343 174.451 174.700 0.156 0.000 0.993 313 T CA -0.494 61.671 62.100 0.108 0.000 0.970 313 T CB 0.912 69.904 68.868 0.206 0.000 0.950 313 T HN 1.064 nan 8.240 nan 0.000 0.441 314 V N 3.475 123.412 119.914 0.038 0.000 3.376 314 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 314 V C -2.047 174.074 176.094 0.044 0.000 1.100 314 V CA -1.615 60.723 62.300 0.063 0.000 1.126 314 V CB -0.353 31.476 31.823 0.011 0.000 1.085 314 V HN 0.821 nan 8.190 nan 0.000 0.480 315 P HA 0.233 nan 4.420 nan 0.000 0.275 315 P C -0.734 176.568 177.300 0.004 0.000 1.266 315 P CA -0.534 62.563 63.100 -0.004 0.000 0.793 315 P CB 0.842 32.518 31.700 -0.040 0.000 1.074 316 L N 1.224 122.445 121.223 -0.003 0.000 2.282 316 L HA 0.327 4.667 4.340 -0.000 0.000 0.287 316 L C -0.832 176.036 176.870 -0.003 0.000 1.075 316 L CA -0.354 54.492 54.840 0.009 0.000 0.839 316 L CB -0.862 41.199 42.059 0.003 0.000 1.219 316 L HN 0.096 nan 8.230 nan 0.000 0.434 317 L N 5.393 126.630 121.223 0.023 0.000 2.257 317 L HA 0.635 4.975 4.340 -0.000 0.000 0.290 317 L C 0.141 177.029 176.870 0.028 0.000 1.044 317 L CA 0.282 55.118 54.840 -0.007 0.000 0.810 317 L CB 1.366 43.450 42.059 0.041 0.000 1.193 317 L HN 0.831 nan 8.230 nan 0.000 0.425 318 T N -0.457 114.060 114.554 -0.062 0.000 2.900 318 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 318 T C -0.519 174.091 174.700 -0.150 0.000 1.044 318 T CA -1.072 61.026 62.100 -0.002 0.000 0.995 318 T CB 1.459 70.332 68.868 0.008 0.000 1.072 318 T HN 0.480 nan 8.240 nan 0.000 0.473 319 D N 1.240 121.637 120.400 -0.005 0.000 2.363 319 D HA 0.142 4.782 4.640 -0.000 0.000 0.240 319 D C 0.909 177.153 176.300 -0.094 0.000 1.236 319 D CA -0.592 53.346 54.000 -0.103 0.000 0.927 319 D CB 0.032 40.979 40.800 0.245 0.000 1.150 319 D HN 0.396 nan 8.370 nan 0.000 0.458 320 S N -0.908 114.724 115.700 -0.113 0.000 2.641 320 S HA -0.112 4.358 4.470 -0.000 0.000 0.239 320 S C 1.287 175.865 174.600 -0.036 0.000 0.972 320 S CA 0.628 58.778 58.200 -0.083 0.000 0.954 320 S CB -0.513 62.636 63.200 -0.086 0.000 0.767 320 S HN 0.547 nan 8.310 nan 0.000 0.539 321 S N 0.620 116.316 115.700 -0.006 0.000 2.614 321 S HA 0.356 4.826 4.470 -0.000 0.000 0.230 321 S C 1.369 175.974 174.600 0.008 0.000 0.952 321 S CA 0.387 58.593 58.200 0.010 0.000 0.949 321 S CB -0.683 62.538 63.200 0.035 0.000 0.786 321 S HN 0.660 nan 8.310 nan 0.000 0.478 322 G N 0.889 109.686 108.800 -0.004 0.000 2.244 322 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.274 322 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.274 322 G C 0.137 175.043 174.900 0.010 0.000 1.002 322 G CA 0.426 45.524 45.100 -0.004 0.000 0.740 322 G HN 1.243 nan 8.290 nan 0.000 0.516 323 A N -0.243 122.594 122.820 0.028 0.000 2.371 323 A HA 0.726 5.046 4.320 -0.000 0.000 0.311 323 A C 0.377 178.008 177.584 0.078 0.000 1.068 323 A CA -0.703 51.359 52.037 0.040 0.000 0.744 323 A CB 1.163 20.184 19.000 0.036 0.000 1.239 323 A HN 0.226 nan 8.150 nan 0.000 0.435 324 K N 1.284 121.726 120.400 0.069 0.000 2.600 324 K HA -0.140 4.180 4.320 -0.000 0.000 0.280 324 K C 0.179 176.905 176.600 0.210 0.000 0.971 324 K CA 0.528 56.881 56.287 0.109 0.000 1.053 324 K CB -0.059 32.484 32.500 0.072 0.000 0.856 324 K HN 0.732 nan 8.250 nan 0.000 0.495 325 F N 0.901 120.867 119.950 0.028 0.000 2.733 325 F HA -0.023 4.504 4.527 -0.000 0.000 0.301 325 F C 1.299 177.179 175.800 0.133 0.000 1.240 325 F CA 0.170 58.195 58.000 0.043 0.000 1.432 325 F CB 0.206 39.169 39.000 -0.062 0.000 1.089 325 F HN 0.681 nan 8.300 nan 0.000 0.533 326 G N -0.680 108.197 108.800 0.129 0.000 2.799 326 G HA2 0.031 3.991 3.960 -0.000 0.000 0.201 326 G HA3 0.031 3.991 3.960 -0.000 0.000 0.201 326 G C 0.764 175.640 174.900 -0.039 0.000 1.142 326 G CA -0.262 44.897 45.100 0.099 0.000 0.910 326 G HN 0.076 nan 8.290 nan 0.000 0.710 327 K N 1.455 121.828 120.400 -0.046 0.000 2.814 327 K HA 0.391 4.711 4.320 -0.000 0.000 0.213 327 K C 0.027 176.591 176.600 -0.061 0.000 1.113 327 K CA -0.075 56.155 56.287 -0.096 0.000 1.145 327 K CB 1.147 33.598 32.500 -0.081 0.000 0.948 327 K HN 0.122 nan 8.250 nan 0.000 0.464 328 S N -0.051 115.599 115.700 -0.083 0.000 2.745 328 S HA 0.750 5.220 4.470 -0.000 0.000 0.292 328 S C 0.176 174.692 174.600 -0.140 0.000 1.127 328 S CA 0.330 58.474 58.200 -0.094 0.000 1.007 328 S CB 1.114 64.260 63.200 -0.089 0.000 1.165 328 S HN 0.543 nan 8.310 nan 0.000 0.544 329 A N 0.300 123.038 122.820 -0.136 0.000 5.654 329 A HA -0.092 4.228 4.320 -0.000 0.000 0.254 329 A C 1.315 178.877 177.584 -0.037 0.000 2.251 329 A CA 0.640 52.612 52.037 -0.108 0.000 0.710 329 A CB -1.920 16.998 19.000 -0.136 0.000 1.019 329 A HN 1.514 nan 8.150 nan 0.000 0.342 330 G N -0.861 107.937 108.800 -0.004 0.000 2.572 330 G HA2 0.246 4.206 3.960 -0.000 0.000 0.216 330 G HA3 0.246 4.206 3.960 -0.000 0.000 0.216 330 G C 0.782 175.706 174.900 0.039 0.000 1.133 330 G CA 2.135 47.247 45.100 0.019 0.000 0.791 330 G HN 1.667 nan 8.290 nan 0.000 0.538 331 N N -1.678 117.057 118.700 0.058 0.000 2.626 331 N HA 0.299 5.039 4.740 -0.000 0.000 0.339 331 N C 0.198 175.732 175.510 0.040 0.000 0.610 331 N CA 0.981 54.081 53.050 0.084 0.000 1.434 331 N CB -0.252 38.342 38.487 0.179 0.000 1.551 331 N HN 0.305 nan 8.380 nan 0.000 1.653 332 A N -0.346 122.538 122.820 0.106 0.000 2.525 332 A HA 0.762 5.082 4.320 -0.000 0.000 0.291 332 A C -1.763 175.773 177.584 -0.081 0.000 1.268 332 A CA -0.366 51.585 52.037 -0.143 0.000 0.712 332 A CB 0.775 19.385 19.000 -0.650 0.000 1.320 332 A HN 0.136 nan 8.150 nan 0.000 0.456 333 I N 0.331 120.757 120.570 -0.239 0.000 2.521 333 I HA 0.427 4.597 4.170 -0.000 0.000 0.277 333 I C -1.073 175.100 176.117 0.094 0.000 1.054 333 I CA 0.149 61.449 61.300 -0.000 0.000 1.117 333 I CB 0.764 38.691 38.000 -0.123 0.000 1.217 333 I HN 0.637 nan 8.210 nan 0.000 0.469 334 W N 4.540 125.921 121.300 0.135 0.000 2.380 334 W HA 0.628 5.288 4.660 -0.000 0.000 0.441 334 W C 1.039 177.590 176.519 0.054 0.000 1.762 334 W CA -0.690 56.729 57.345 0.123 0.000 1.905 334 W CB 0.033 29.549 29.460 0.093 0.000 1.624 334 W HN 0.189 nan 8.180 nan 0.000 0.717 335 L N -0.214 121.166 121.223 0.261 0.000 2.388 335 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 335 L C 0.644 177.563 176.870 0.083 0.000 1.061 335 L CA 0.109 54.949 54.840 -0.001 0.000 0.834 335 L CB -0.595 41.414 42.059 -0.083 0.000 1.029 335 L HN 0.300 nan 8.230 nan 0.000 0.473 336 D N 2.764 123.239 120.400 0.125 0.000 2.660 336 D HA -0.071 4.569 4.640 -0.000 0.000 0.253 336 D C -1.337 175.044 176.300 0.136 0.000 1.256 336 D CA -1.075 52.975 54.000 0.084 0.000 0.914 336 D CB 1.012 41.827 40.800 0.026 0.000 1.137 336 D HN 0.054 nan 8.370 nan 0.000 0.542 337 P HA -0.223 nan 4.420 nan 0.000 0.215 337 P C 0.749 178.202 177.300 0.255 0.000 1.157 337 P CA 1.187 64.431 63.100 0.241 0.000 0.874 337 P CB -0.150 31.742 31.700 0.321 0.000 0.790 338 Y N -0.261 120.041 120.300 0.002 0.000 2.550 338 Y HA 0.153 4.703 4.550 0.000 0.000 0.351 338 Y C 2.232 178.097 175.900 -0.059 0.000 1.160 338 Y CA 0.425 58.514 58.100 -0.019 0.000 1.337 338 Y CB -0.783 37.667 38.460 -0.017 0.000 1.196 338 Y HN 0.191 nan 8.280 nan 0.000 0.498 339 Q N -1.237 118.597 119.800 0.055 0.000 1.921 339 Q HA 0.160 4.500 4.340 -0.000 0.000 0.192 339 Q C -0.616 175.363 176.000 -0.035 0.000 0.755 339 Q CA 0.228 55.979 55.803 -0.087 0.000 0.904 339 Q CB 1.067 29.647 28.738 -0.263 0.000 1.222 339 Q HN 0.134 nan 8.270 nan 0.000 0.417 340 T N 0.157 114.750 114.554 0.065 0.000 3.706 340 T HA 0.092 4.442 4.350 -0.000 0.000 0.292 340 T C -1.075 173.707 174.700 0.137 0.000 0.693 340 T CA -0.209 61.976 62.100 0.141 0.000 1.126 340 T CB 1.131 70.152 68.868 0.255 0.000 1.043 340 T HN 0.141 nan 8.240 nan 0.000 0.501 341 S N 1.973 117.738 115.700 0.109 0.000 2.711 341 S HA -0.028 4.442 4.470 -0.000 0.000 0.320 341 S C 2.141 176.837 174.600 0.160 0.000 1.240 341 S CA 0.469 58.736 58.200 0.111 0.000 1.034 341 S CB 0.212 63.496 63.200 0.140 0.000 0.741 341 S HN 0.693 nan 8.310 nan 0.000 0.496 342 V N 4.899 124.859 119.914 0.077 0.000 2.282 342 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 342 V C 1.756 177.993 176.094 0.239 0.000 1.057 342 V CA 2.396 64.712 62.300 0.026 0.000 1.032 342 V CB -1.673 30.104 31.823 -0.077 0.000 0.645 342 V HN 0.892 nan 8.190 nan 0.000 0.447 343 F N 2.527 122.554 119.950 0.130 0.000 2.069 343 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 343 F C 2.131 178.106 175.800 0.291 0.000 1.113 343 F CA 2.444 60.568 58.000 0.207 0.000 1.214 343 F CB -0.581 38.466 39.000 0.078 0.000 0.978 343 F HN 0.183 nan 8.300 nan 0.000 0.474 344 D N -0.120 120.479 120.400 0.331 0.000 2.123 344 D HA -0.228 4.412 4.640 -0.000 0.000 0.196 344 D C 2.019 178.446 176.300 0.211 0.000 0.992 344 D CA 1.543 55.682 54.000 0.232 0.000 0.833 344 D CB -0.839 40.091 40.800 0.218 0.000 0.954 344 D HN 0.331 nan 8.370 nan 0.000 0.455 345 F N 0.837 120.873 119.950 0.143 0.000 2.010 345 F HA -0.291 4.236 4.527 0.000 0.000 0.296 345 F C 2.271 178.240 175.800 0.282 0.000 1.146 345 F CA 1.255 59.388 58.000 0.221 0.000 1.181 345 F CB -1.045 38.078 39.000 0.205 0.000 0.965 345 F HN -0.047 nan 8.300 nan 0.000 0.480 346 Y N 1.340 121.670 120.300 0.049 0.000 2.073 346 Y HA -0.342 4.208 4.550 -0.000 0.000 0.270 346 Y C 2.467 178.240 175.900 -0.212 0.000 1.226 346 Y CA 1.840 59.855 58.100 -0.141 0.000 1.117 346 Y CB -1.278 37.113 38.460 -0.115 0.000 0.939 346 Y HN 0.198 nan 8.280 nan 0.000 0.504 347 G N -1.301 107.351 108.800 -0.247 0.000 2.514 347 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.217 347 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.217 347 G C 1.783 176.540 174.900 -0.239 0.000 1.198 347 G CA 1.020 45.890 45.100 -0.385 0.000 0.780 347 G HN 0.696 nan 8.290 nan 0.000 0.565 348 Y N -0.124 120.006 120.300 -0.284 0.000 2.321 348 Y HA -0.313 4.237 4.550 -0.000 0.000 0.281 348 Y C 2.138 177.667 175.900 -0.619 0.000 1.200 348 Y CA 1.346 59.192 58.100 -0.423 0.000 1.269 348 Y CB -0.056 38.086 38.460 -0.531 0.000 0.972 348 Y HN 0.255 nan 8.280 nan 0.000 0.550 349 F N -2.743 116.945 119.950 -0.436 0.000 2.390 349 F HA -0.042 4.485 4.527 -0.000 0.000 0.281 349 F C 2.096 177.595 175.800 -0.502 0.000 1.016 349 F CA 0.762 58.466 58.000 -0.493 0.000 1.286 349 F CB -1.275 37.410 39.000 -0.525 0.000 1.134 349 F HN -0.296 nan 8.300 nan 0.000 0.597 350 V N 1.194 120.794 119.914 -0.522 0.000 2.495 350 V HA -0.261 3.859 4.120 -0.000 0.000 0.260 350 V C 0.558 176.399 176.094 -0.422 0.000 1.097 350 V CA 1.774 63.670 62.300 -0.673 0.000 1.105 350 V CB -0.449 30.656 31.823 -1.197 0.000 0.678 350 V HN 0.169 nan 8.190 nan 0.000 0.469 351 R N 0.961 121.255 120.500 -0.342 0.000 2.310 351 R HA 0.656 4.996 4.340 -0.000 0.000 0.316 351 R C -0.523 175.672 176.300 -0.175 0.000 1.004 351 R CA -0.414 55.561 56.100 -0.209 0.000 0.900 351 R CB 1.152 31.360 30.300 -0.154 0.000 1.152 351 R HN 0.204 nan 8.270 nan 0.000 0.513 352 R N 0.662 121.064 120.500 -0.164 0.000 2.690 352 R HA 0.211 4.551 4.340 -0.000 0.000 0.269 352 R C -0.848 175.369 176.300 -0.139 0.000 1.037 352 R CA -0.868 55.129 56.100 -0.173 0.000 0.877 352 R CB 2.085 32.231 30.300 -0.257 0.000 1.255 352 R HN 0.520 nan 8.270 nan 0.000 0.467 353 S N 1.777 117.395 115.700 -0.137 0.000 2.931 353 S HA -0.096 4.374 4.470 -0.000 0.000 0.342 353 S C 0.883 175.438 174.600 -0.076 0.000 1.220 353 S CA 0.269 58.409 58.200 -0.100 0.000 1.045 353 S CB 0.039 63.167 63.200 -0.120 0.000 0.758 353 S HN 0.398 nan 8.310 nan 0.000 0.508 354 D N 2.685 123.080 120.400 -0.009 0.000 2.315 354 D HA -0.171 4.468 4.640 -0.000 0.000 0.211 354 D C 1.881 178.218 176.300 0.061 0.000 0.977 354 D CA 1.418 55.477 54.000 0.097 0.000 0.894 354 D CB 0.123 41.001 40.800 0.130 0.000 0.910 354 D HN 0.801 nan 8.370 nan 0.000 0.490 355 Q N 0.656 120.447 119.800 -0.015 0.000 2.134 355 Q HA 0.045 4.385 4.340 -0.000 0.000 0.195 355 Q C 1.799 177.749 176.000 -0.083 0.000 0.958 355 Q CA 0.661 56.443 55.803 -0.035 0.000 0.840 355 Q CB -0.679 28.032 28.738 -0.044 0.000 0.918 355 Q HN 0.124 nan 8.270 nan 0.000 0.467 356 E N 0.700 120.827 120.200 -0.122 0.000 2.171 356 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 356 E C 1.934 178.429 176.600 -0.175 0.000 0.997 356 E CA 1.277 57.574 56.400 -0.172 0.000 0.810 356 E CB -0.248 29.312 29.700 -0.233 0.000 0.738 356 E HN 0.262 nan 8.360 nan 0.000 0.467 357 V N 1.500 121.306 119.914 -0.181 0.000 2.252 357 V HA -0.412 3.708 4.120 -0.000 0.000 0.255 357 V C 2.117 178.124 176.094 -0.145 0.000 1.071 357 V CA 2.752 64.931 62.300 -0.202 0.000 1.050 357 V CB -0.337 31.294 31.823 -0.319 0.000 0.654 357 V HN 0.344 nan 8.190 nan 0.000 0.448 358 E N 1.646 121.777 120.200 -0.116 0.000 1.927 358 E HA -0.302 4.048 4.350 -0.000 0.000 0.221 358 E C 1.922 178.468 176.600 -0.090 0.000 0.965 358 E CA 2.306 58.656 56.400 -0.084 0.000 0.881 358 E CB -0.800 28.859 29.700 -0.068 0.000 0.810 358 E HN 0.843 nan 8.360 nan 0.000 0.569 359 N N 0.837 119.475 118.700 -0.102 0.000 2.396 359 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 359 N C 1.984 177.433 175.510 -0.103 0.000 1.015 359 N CA 1.543 54.521 53.050 -0.120 0.000 0.893 359 N CB -0.577 37.831 38.487 -0.131 0.000 0.956 359 N HN 0.373 nan 8.380 nan 0.000 0.445 360 L N -0.263 120.903 121.223 -0.094 0.000 2.270 360 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 360 L C 2.403 179.303 176.870 0.050 0.000 1.104 360 L CA 0.268 55.082 54.840 -0.044 0.000 0.804 360 L CB -0.108 41.848 42.059 -0.171 0.000 0.937 360 L HN 0.108 nan 8.230 nan 0.000 0.450 361 L N -0.546 120.670 121.223 -0.011 0.000 2.095 361 L HA -0.166 4.174 4.340 -0.000 0.000 0.204 361 L C 2.462 179.341 176.870 0.014 0.000 1.080 361 L CA 1.162 56.011 54.840 0.013 0.000 0.759 361 L CB -0.198 41.854 42.059 -0.012 0.000 0.914 361 L HN 0.163 nan 8.230 nan 0.000 0.439 362 K N 0.012 120.381 120.400 -0.051 0.000 2.147 362 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 362 K C 1.924 178.373 176.600 -0.252 0.000 1.049 362 K CA 1.141 57.348 56.287 -0.133 0.000 0.936 362 K CB -0.077 32.306 32.500 -0.196 0.000 0.722 362 K HN 0.278 nan 8.250 nan 0.000 0.446 363 L N -0.882 120.204 121.223 -0.227 0.000 2.375 363 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 363 L C 0.844 177.513 176.870 -0.335 0.000 1.108 363 L CA 0.535 55.108 54.840 -0.445 0.000 0.830 363 L CB 0.232 42.095 42.059 -0.327 0.000 0.959 363 L HN 0.089 nan 8.230 nan 0.000 0.457 364 F N -1.097 118.807 119.950 -0.077 0.000 2.772 364 F HA 0.173 4.700 4.527 -0.000 0.000 0.316 364 F C 0.721 176.381 175.800 -0.233 0.000 1.114 364 F CA -0.487 57.478 58.000 -0.057 0.000 1.191 364 F CB 0.605 39.630 39.000 0.041 0.000 1.065 364 F HN -0.157 nan 8.300 nan 0.000 0.534 365 T N -3.006 111.472 114.554 -0.125 0.000 2.952 365 T HA 0.425 4.775 4.350 -0.000 0.000 0.305 365 T C -0.412 174.197 174.700 -0.150 0.000 1.064 365 T CA -0.494 61.438 62.100 -0.280 0.000 1.008 365 T CB 0.758 69.613 68.868 -0.021 0.000 1.078 365 T HN -0.055 nan 8.240 nan 0.000 0.459 366 F N 2.451 122.613 119.950 0.354 0.000 2.859 366 F HA 0.430 4.957 4.527 -0.000 0.000 0.315 366 F C 0.749 176.730 175.800 0.301 0.000 1.207 366 F CA -0.809 57.381 58.000 0.317 0.000 1.370 366 F CB -0.634 38.233 39.000 -0.222 0.000 1.314 366 F HN 0.306 nan 8.300 nan 0.000 0.555 367 M N 2.039 121.887 119.600 0.413 0.000 2.157 367 M HA 0.328 4.808 4.480 -0.000 0.000 0.354 367 M C -2.298 174.210 176.300 0.346 0.000 1.170 367 M CA -1.896 53.585 55.300 0.302 0.000 1.060 367 M CB 1.145 33.856 32.600 0.185 0.000 1.615 367 M HN -0.121 nan 8.290 nan 0.000 0.460 368 P HA -0.093 nan 4.420 nan 0.000 0.261 368 P C 1.066 178.473 177.300 0.179 0.000 1.183 368 P CA -0.095 63.165 63.100 0.266 0.000 0.761 368 P CB 0.097 31.912 31.700 0.192 0.000 0.785 369 I N 1.105 121.768 120.570 0.153 0.000 2.227 369 I HA -0.309 3.861 4.170 -0.000 0.000 0.250 369 I C 1.114 177.273 176.117 0.070 0.000 1.087 369 I CA 2.043 63.393 61.300 0.083 0.000 1.352 369 I CB -2.184 35.847 38.000 0.052 0.000 1.043 369 I HN 0.159 nan 8.210 nan 0.000 0.425 370 S N 2.393 118.141 115.700 0.079 0.000 2.531 370 S HA -0.268 4.202 4.470 -0.000 0.000 0.235 370 S C 1.767 176.403 174.600 0.059 0.000 1.061 370 S CA 1.942 60.180 58.200 0.063 0.000 1.250 370 S CB -0.860 62.380 63.200 0.067 0.000 1.183 370 S HN 0.806 nan 8.310 nan 0.000 0.413 371 E N 1.827 122.068 120.200 0.069 0.000 2.515 371 E HA -0.021 4.329 4.350 -0.000 0.000 0.201 371 E C 1.602 178.241 176.600 0.064 0.000 1.071 371 E CA 0.323 56.761 56.400 0.063 0.000 0.880 371 E CB -0.568 29.172 29.700 0.066 0.000 0.828 371 E HN 0.664 nan 8.360 nan 0.000 0.540 372 I N 1.010 121.622 120.570 0.069 0.000 2.315 372 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 372 I C 1.511 177.651 176.117 0.039 0.000 1.117 372 I CA 1.510 62.846 61.300 0.060 0.000 1.404 372 I CB -0.003 38.034 38.000 0.061 0.000 1.071 372 I HN 0.066 nan 8.210 nan 0.000 0.419 373 T N 0.438 115.013 114.554 0.036 0.000 2.904 373 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 373 T C 1.764 176.485 174.700 0.035 0.000 1.059 373 T CA 1.305 63.422 62.100 0.028 0.000 1.137 373 T CB -0.150 68.733 68.868 0.024 0.000 0.879 373 T HN 0.192 nan 8.240 nan 0.000 0.467 374 K N 1.998 122.421 120.400 0.039 0.000 2.044 374 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 374 K C 2.094 178.722 176.600 0.047 0.000 1.049 374 K CA 1.997 58.308 56.287 0.041 0.000 0.927 374 K CB -1.239 31.287 32.500 0.042 0.000 0.713 374 K HN 0.266 nan 8.250 nan 0.000 0.443 375 T N 1.299 115.882 114.554 0.048 0.000 2.803 375 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 375 T C 1.543 176.282 174.700 0.066 0.000 1.052 375 T CA 1.556 63.687 62.100 0.051 0.000 1.136 375 T CB -0.154 68.738 68.868 0.038 0.000 0.864 375 T HN 0.143 nan 8.240 nan 0.000 0.467 376 M N 0.620 120.254 119.600 0.056 0.000 2.476 376 M HA 0.122 4.602 4.480 -0.000 0.000 0.262 376 M C 2.033 178.387 176.300 0.091 0.000 1.079 376 M CA 0.895 56.244 55.300 0.081 0.000 1.104 376 M CB -0.822 31.806 32.600 0.048 0.000 1.409 376 M HN 0.160 nan 8.290 nan 0.000 0.467 377 E N 0.548 120.786 120.200 0.064 0.000 2.076 377 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 377 E C 1.971 178.598 176.600 0.045 0.000 0.979 377 E CA 0.963 57.390 56.400 0.045 0.000 0.807 377 E CB 0.184 29.904 29.700 0.034 0.000 0.761 377 E HN 0.282 nan 8.360 nan 0.000 0.454 378 E N -0.561 119.675 120.200 0.061 0.000 2.107 378 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 378 E C 1.985 178.627 176.600 0.070 0.000 0.982 378 E CA 0.989 57.422 56.400 0.056 0.000 0.809 378 E CB -0.379 29.357 29.700 0.061 0.000 0.756 378 E HN 0.385 nan 8.360 nan 0.000 0.459 379 H N 1.529 120.604 119.070 0.008 0.000 2.293 379 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 379 H C 2.074 177.401 175.328 -0.001 0.000 1.082 379 H CA 2.076 58.127 56.048 0.005 0.000 1.308 379 H CB -0.263 29.500 29.762 0.001 0.000 1.375 379 H HN 0.210 nan 8.280 nan 0.000 0.495 380 I N -0.884 119.631 120.570 -0.092 0.000 2.756 380 I HA -0.060 4.110 4.170 -0.000 0.000 0.262 380 I C 1.718 177.767 176.117 -0.114 0.000 1.225 380 I CA 1.247 62.461 61.300 -0.143 0.000 1.472 380 I CB -0.360 37.618 38.000 -0.035 0.000 1.094 380 I HN 0.047 nan 8.210 nan 0.000 0.454 381 K N 0.317 120.672 120.400 -0.074 0.000 2.365 381 K HA -0.047 4.273 4.320 -0.000 0.000 0.199 381 K C 0.060 176.617 176.600 -0.071 0.000 1.045 381 K CA 0.870 57.126 56.287 -0.052 0.000 0.962 381 K CB -0.097 32.388 32.500 -0.025 0.000 0.759 381 K HN 0.407 nan 8.250 nan 0.000 0.469 382 D N -0.852 119.476 120.400 -0.120 0.000 2.445 382 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 382 D C -2.428 173.739 176.300 -0.221 0.000 1.315 382 D CA -1.769 52.160 54.000 -0.120 0.000 0.924 382 D CB 1.348 42.112 40.800 -0.060 0.000 1.447 382 D HN -0.260 nan 8.370 nan 0.000 0.532 383 P HA -0.157 nan 4.420 nan 0.000 0.215 383 P C 1.174 178.382 177.300 -0.153 0.000 1.163 383 P CA 1.473 64.371 63.100 -0.337 0.000 0.894 383 P CB 0.122 31.715 31.700 -0.178 0.000 0.791 384 S N -2.081 113.576 115.700 -0.071 0.000 2.803 384 S HA 0.043 4.513 4.470 -0.000 0.000 0.226 384 S C 1.553 176.161 174.600 0.014 0.000 0.962 384 S CA 0.440 58.633 58.200 -0.013 0.000 0.968 384 S CB -0.628 62.566 63.200 -0.010 0.000 0.786 384 S HN -0.070 nan 8.310 nan 0.000 0.527 385 K N 1.550 121.958 120.400 0.013 0.000 2.354 385 K HA 0.237 4.557 4.320 -0.000 0.000 0.194 385 K C 0.263 176.937 176.600 0.123 0.000 1.038 385 K CA -0.132 56.186 56.287 0.051 0.000 1.052 385 K CB -0.111 32.404 32.500 0.026 0.000 0.861 385 K HN 0.482 nan 8.250 nan 0.000 0.535 386 R N 0.009 120.616 120.500 0.179 0.000 3.416 386 R HA -0.143 4.197 4.340 -0.000 0.000 0.263 386 R C 1.017 177.467 176.300 0.250 0.000 1.053 386 R CA 0.408 56.648 56.100 0.234 0.000 0.705 386 R CB -2.620 27.745 30.300 0.108 0.000 1.124 386 R HN -0.049 nan 8.270 nan 0.000 0.444 387 V N -0.867 119.230 119.914 0.305 0.000 2.287 387 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 387 V C 2.604 178.790 176.094 0.152 0.000 1.053 387 V CA 2.347 64.767 62.300 0.200 0.000 1.027 387 V CB -0.621 31.303 31.823 0.167 0.000 0.646 387 V HN 0.677 nan 8.190 nan 0.000 0.447 388 A N -0.770 122.099 122.820 0.081 0.000 1.968 388 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 388 A C 2.150 179.661 177.584 -0.122 0.000 1.169 388 A CA 1.523 53.496 52.037 -0.106 0.000 0.638 388 A CB -0.472 18.306 19.000 -0.370 0.000 0.812 388 A HN 0.521 nan 8.150 nan 0.000 0.446 389 Q N -0.811 118.902 119.800 -0.145 0.000 2.170 389 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 389 Q C 1.964 177.882 176.000 -0.137 0.000 0.976 389 Q CA 1.551 57.258 55.803 -0.159 0.000 0.858 389 Q CB -0.371 28.261 28.738 -0.177 0.000 0.907 389 Q HN 0.788 nan 8.270 nan 0.000 0.433 390 H N -0.972 118.059 119.070 -0.064 0.000 2.333 390 H HA -0.025 4.531 4.556 -0.000 0.000 0.302 390 H C 1.743 177.100 175.328 0.049 0.000 1.075 390 H CA 1.855 57.909 56.048 0.011 0.000 1.348 390 H CB 0.242 30.043 29.762 0.064 0.000 1.393 390 H HN 0.272 nan 8.280 nan 0.000 0.509 391 T N 1.845 116.490 114.554 0.150 0.000 2.746 391 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 391 T C 2.109 176.836 174.700 0.045 0.000 1.039 391 T CA 1.112 63.270 62.100 0.097 0.000 1.142 391 T CB -0.386 68.524 68.868 0.071 0.000 0.866 391 T HN 0.103 nan 8.240 nan 0.000 0.444 392 L N 1.461 122.682 121.223 -0.004 0.000 2.109 392 L HA 0.288 4.628 4.340 -0.000 0.000 0.207 392 L C 2.509 179.325 176.870 -0.089 0.000 1.086 392 L CA 1.596 56.416 54.840 -0.033 0.000 0.760 392 L CB -1.280 40.749 42.059 -0.050 0.000 0.910 392 L HN 0.191 nan 8.230 nan 0.000 0.437 393 A N 0.156 122.913 122.820 -0.104 0.000 1.858 393 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 393 A C 2.518 180.074 177.584 -0.046 0.000 1.190 393 A CA 1.759 53.679 52.037 -0.195 0.000 0.617 393 A CB -0.700 18.065 19.000 -0.392 0.000 0.827 393 A HN 0.522 nan 8.150 nan 0.000 0.443 394 R N -0.361 120.236 120.500 0.162 0.000 2.115 394 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 394 R C 2.065 178.397 176.300 0.052 0.000 1.133 394 R CA 2.058 58.248 56.100 0.152 0.000 0.935 394 R CB -0.374 30.019 30.300 0.155 0.000 0.853 394 R HN 0.478 nan 8.270 nan 0.000 0.433 395 E N 0.126 120.344 120.200 0.030 0.000 2.055 395 E HA -0.237 4.113 4.350 -0.000 0.000 0.209 395 E C 2.089 178.701 176.600 0.019 0.000 1.036 395 E CA 1.903 58.326 56.400 0.037 0.000 0.849 395 E CB -0.714 28.998 29.700 0.020 0.000 0.767 395 E HN 0.296 nan 8.360 nan 0.000 0.461 396 V N 1.111 120.957 119.914 -0.114 0.000 2.252 396 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 396 V C 2.669 178.816 176.094 0.088 0.000 1.056 396 V CA 1.921 64.138 62.300 -0.138 0.000 1.022 396 V CB -0.802 30.543 31.823 -0.798 0.000 0.641 396 V HN 0.069 nan 8.190 nan 0.000 0.445 397 V N 0.122 120.100 119.914 0.106 0.000 2.255 397 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 397 V C 2.601 178.827 176.094 0.220 0.000 1.051 397 V CA 2.763 65.257 62.300 0.325 0.000 1.018 397 V CB -1.162 30.794 31.823 0.221 0.000 0.641 397 V HN 0.692 nan 8.190 nan 0.000 0.445 398 T N 0.761 115.390 114.554 0.125 0.000 2.684 398 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 398 T C 1.879 176.629 174.700 0.083 0.000 1.036 398 T CA 1.967 64.124 62.100 0.095 0.000 1.148 398 T CB -0.459 68.454 68.868 0.076 0.000 0.863 398 T HN 0.342 nan 8.240 nan 0.000 0.436 399 L N 1.595 122.880 121.223 0.104 0.000 1.989 399 L HA -0.004 4.336 4.340 -0.000 0.000 0.211 399 L C 2.022 178.887 176.870 -0.008 0.000 1.071 399 L CA 1.786 56.672 54.840 0.076 0.000 0.749 399 L CB -0.676 41.498 42.059 0.191 0.000 0.890 399 L HN 0.149 nan 8.230 nan 0.000 0.431 400 V N -0.160 119.760 119.914 0.010 0.000 3.577 400 V HA 0.072 4.192 4.120 -0.000 0.000 0.294 400 V C 0.846 176.698 176.094 -0.404 0.000 1.317 400 V CA 0.429 62.626 62.300 -0.171 0.000 1.169 400 V CB -1.004 30.722 31.823 -0.161 0.000 1.011 400 V HN 0.589 nan 8.190 nan 0.000 0.426 401 H N -0.414 118.640 119.070 -0.026 0.000 3.664 401 H HA 0.342 4.898 4.556 -0.000 0.000 0.265 401 H C 0.980 176.304 175.328 -0.006 0.000 1.147 401 H CA 0.569 56.601 56.048 -0.026 0.000 1.142 401 H CB 1.264 31.020 29.762 -0.010 0.000 1.870 401 H HN 0.433 nan 8.280 nan 0.000 0.820 402 G N 2.090 110.937 108.800 0.077 0.000 2.755 402 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.686 402 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.686 402 G C 0.981 175.915 174.900 0.056 0.000 1.427 402 G CA 0.141 45.272 45.100 0.051 0.000 0.873 402 G HN 0.384 nan 8.290 nan 0.000 0.580 403 K N 0.124 120.547 120.400 0.038 0.000 2.002 403 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 403 K C 2.270 178.886 176.600 0.026 0.000 1.048 403 K CA 1.896 58.203 56.287 0.033 0.000 0.930 403 K CB -0.255 32.261 32.500 0.028 0.000 0.714 403 K HN 0.512 nan 8.250 nan 0.000 0.438 404 Q N 0.492 120.309 119.800 0.027 0.000 2.197 404 Q HA -0.260 4.080 4.340 -0.000 0.000 0.211 404 Q C 2.083 178.095 176.000 0.020 0.000 0.993 404 Q CA 2.284 58.102 55.803 0.024 0.000 0.883 404 Q CB -0.072 28.683 28.738 0.028 0.000 0.916 404 Q HN 0.471 nan 8.270 nan 0.000 0.418 405 E N -0.557 119.660 120.200 0.030 0.000 2.122 405 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 405 E C 1.678 178.262 176.600 -0.026 0.000 0.977 405 E CA 1.040 57.449 56.400 0.016 0.000 0.820 405 E CB -0.327 29.400 29.700 0.046 0.000 0.770 405 E HN 0.319 nan 8.360 nan 0.000 0.462 406 A N 0.246 123.059 122.820 -0.012 0.000 1.915 406 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 406 A C 2.483 179.990 177.584 -0.128 0.000 1.198 406 A CA 2.296 54.296 52.037 -0.062 0.000 0.647 406 A CB -1.079 17.921 19.000 0.000 0.000 0.825 406 A HN 0.322 nan 8.150 nan 0.000 0.456 407 S N -1.035 114.632 115.700 -0.054 0.000 2.336 407 S HA 0.073 4.542 4.470 -0.000 0.000 0.214 407 S C 2.406 176.979 174.600 -0.046 0.000 1.032 407 S CA 1.257 59.435 58.200 -0.037 0.000 1.001 407 S CB -0.688 62.511 63.200 -0.001 0.000 0.953 407 S HN 0.949 nan 8.310 nan 0.000 0.430 408 A N 1.601 124.409 122.820 -0.020 0.000 1.969 408 A HA -0.244 4.076 4.320 -0.000 0.000 0.223 408 A C 2.265 179.854 177.584 0.009 0.000 1.218 408 A CA 2.442 54.480 52.037 0.002 0.000 0.667 408 A CB -1.325 17.681 19.000 0.009 0.000 0.826 408 A HN 0.609 nan 8.150 nan 0.000 0.472 409 A N -0.949 121.830 122.820 -0.069 0.000 1.855 409 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 409 A C 2.028 179.524 177.584 -0.145 0.000 1.191 409 A CA 1.810 53.790 52.037 -0.095 0.000 0.613 409 A CB -0.684 18.125 19.000 -0.318 0.000 0.829 409 A HN 0.692 nan 8.150 nan 0.000 0.442 410 E N -0.023 119.924 120.200 -0.422 0.000 2.114 410 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 410 E C 1.390 178.137 176.600 0.243 0.000 1.008 410 E CA 1.700 58.062 56.400 -0.063 0.000 0.810 410 E CB -0.218 29.509 29.700 0.045 0.000 0.739 410 E HN 0.581 nan 8.360 nan 0.000 0.456 411 D N 0.292 120.775 120.400 0.139 0.000 2.103 411 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 411 D C 2.117 178.543 176.300 0.209 0.000 0.997 411 D CA 1.559 55.648 54.000 0.148 0.000 0.833 411 D CB -0.429 40.421 40.800 0.084 0.000 0.961 411 D HN 0.415 nan 8.370 nan 0.000 0.447 412 Q N -0.349 119.593 119.800 0.237 0.000 2.077 412 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 412 Q C 1.914 178.200 176.000 0.477 0.000 0.989 412 Q CA 1.005 56.955 55.803 0.244 0.000 0.853 412 Q CB -0.206 28.651 28.738 0.198 0.000 0.907 412 Q HN 0.423 nan 8.270 nan 0.000 0.418 413 H N -0.242 119.233 119.070 0.674 0.000 2.556 413 H HA 0.128 4.684 4.556 -0.000 0.000 0.273 413 H C 0.986 176.538 175.328 0.373 0.000 1.030 413 H CA 0.632 57.002 56.048 0.537 0.000 1.156 413 H CB 0.366 30.336 29.762 0.347 0.000 1.326 413 H HN 0.082 nan 8.280 nan 0.000 0.609 414 R N -0.693 120.055 120.500 0.412 0.000 2.476 414 R HA 0.105 4.445 4.340 -0.000 0.000 0.276 414 R C 0.592 177.002 176.300 0.182 0.000 0.941 414 R CA -0.180 56.093 56.100 0.288 0.000 1.088 414 R CB 0.679 31.117 30.300 0.230 0.000 1.216 414 R HN 0.141 nan 8.270 nan 0.000 0.533 415 M N 0.224 119.923 119.600 0.164 0.000 1.782 415 M HA 0.033 4.513 4.480 -0.000 0.000 0.199 415 M C 0.986 177.337 176.300 0.084 0.000 1.314 415 M CA 0.218 55.575 55.300 0.096 0.000 0.877 415 M CB -0.069 32.567 32.600 0.060 0.000 1.222 415 M HN -0.149 nan 8.290 nan 0.000 0.419 416 M N 0.000 119.633 119.600 0.055 0.000 2.572 416 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 416 M CA 0.000 55.329 55.300 0.048 0.000 0.988 416 M CB 0.000 32.619 32.600 0.032 0.000 1.302 416 M HN 0.000 nan 8.290 nan 0.000 0.411