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_N 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 0.034 0.000 1.155 39 P CA 0.000 63.123 63.100 0.039 0.000 0.800 39 P CB 0.000 31.740 31.700 0.066 0.000 0.726 40 K N 0.132 120.555 120.400 0.038 0.000 1.991 40 K HA -0.266 4.054 4.320 -0.000 0.000 0.212 40 K C 1.843 178.434 176.600 -0.014 0.000 1.049 40 K CA 1.705 57.998 56.287 0.010 0.000 0.932 40 K CB -0.922 31.596 32.500 0.030 0.000 0.717 40 K HN 0.383 nan 8.250 nan 0.000 0.441 41 Y N 2.774 123.052 120.300 -0.037 0.000 2.132 41 Y HA -0.333 4.216 4.550 -0.000 0.000 0.280 41 Y C 2.110 177.924 175.900 -0.145 0.000 1.193 41 Y CA 2.566 60.639 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 0.705 115.244 114.554 -0.026 0.000 2.580 42 T HA -0.307 4.043 4.350 -0.000 0.000 0.265 42 T C 2.110 176.657 174.700 -0.255 0.000 1.063 42 T CA 2.160 64.200 62.100 -0.101 0.000 1.170 42 T CB -1.083 67.784 68.868 -0.002 0.000 0.863 42 T HN 0.551 nan 8.240 nan 0.000 0.418 43 A N 1.536 124.240 122.820 -0.194 0.000 1.997 43 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 43 A C 2.233 179.609 177.584 -0.345 0.000 1.172 43 A CA 1.992 53.904 52.037 -0.209 0.000 0.645 43 A CB -0.573 18.343 19.000 -0.141 0.000 0.813 43 A HN 0.506 nan 8.150 nan 0.000 0.454 44 K N -0.895 119.194 120.400 -0.519 0.000 1.991 44 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 44 K C 1.956 177.935 176.600 -1.036 0.000 1.049 44 K CA 1.604 57.378 56.287 -0.855 0.000 0.932 44 K CB -0.429 31.348 32.500 -1.205 0.000 0.717 44 K HN 0.572 nan 8.250 nan 0.000 0.441 45 I N 1.681 121.572 120.570 -1.131 0.000 2.315 45 I HA -0.344 3.826 4.170 -0.000 0.000 0.251 45 I C 1.976 177.835 176.117 -0.430 0.000 1.125 45 I CA 1.261 62.074 61.300 -0.812 0.000 1.392 45 I CB -0.076 37.595 38.000 -0.548 0.000 1.065 45 I HN 0.252 nan 8.210 nan 0.000 0.424 46 N N 0.682 119.168 118.700 -0.357 0.000 2.142 46 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 46 N C 1.674 177.079 175.510 -0.174 0.000 1.023 46 N CA 1.405 54.332 53.050 -0.206 0.000 0.852 46 N CB -0.075 38.315 38.487 -0.162 0.000 0.998 46 N HN 0.483 nan 8.380 nan 0.000 0.424 47 E N 0.891 120.953 120.200 -0.229 0.000 2.019 47 E HA -0.180 4.170 4.350 -0.000 0.000 0.208 47 E C 1.827 178.373 176.600 -0.090 0.000 1.030 47 E CA 2.031 58.338 56.400 -0.156 0.000 0.856 47 E CB -0.395 29.188 29.700 -0.196 0.000 0.781 47 E HN 0.304 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 -0.310 4.010 4.320 -0.000 0.000 0.221 48 A C 2.101 179.702 177.584 0.029 0.000 1.172 48 A CA 2.155 54.187 52.037 -0.007 0.000 0.645 48 A CB -0.884 18.123 19.000 0.011 0.000 0.813 48 A HN 0.427 nan 8.150 nan 0.000 0.454 49 E N 0.532 120.716 120.200 -0.025 0.000 2.023 49 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 49 E C 1.819 178.479 176.600 0.100 0.000 1.003 49 E CA 2.021 58.437 56.400 0.027 0.000 0.809 49 E CB -0.511 29.174 29.700 -0.027 0.000 0.755 49 E HN 0.720 nan 8.360 nan 0.000 0.449 50 E N 0.045 120.269 120.200 0.041 0.000 2.049 50 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 50 E C 2.017 178.658 176.600 0.068 0.000 1.007 50 E CA 1.609 58.034 56.400 0.041 0.000 0.809 50 E CB -0.392 29.311 29.700 0.005 0.000 0.749 50 E HN 0.320 nan 8.360 nan 0.000 0.450 51 N N 0.633 119.380 118.700 0.078 0.000 2.061 51 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 51 N C 1.286 176.872 175.510 0.127 0.000 1.030 51 N CA 1.187 54.289 53.050 0.087 0.000 0.856 51 N CB -0.475 38.072 38.487 0.101 0.000 1.023 51 N HN 0.344 nan 8.380 nan 0.000 0.424 52 W N 1.418 122.696 121.300 -0.037 0.000 2.313 52 W HA -0.249 4.411 4.660 -0.000 0.000 0.293 52 W C 1.299 177.804 176.519 -0.023 0.000 1.216 52 W CA 1.184 58.504 57.345 -0.042 0.000 1.223 52 W CB 0.085 29.513 29.460 -0.053 0.000 1.138 52 W HN 0.229 nan 8.180 nan 0.000 0.535 53 Q N -0.226 119.606 119.800 0.054 0.000 2.123 53 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 53 Q C 2.400 178.350 176.000 -0.083 0.000 0.966 53 Q CA 1.560 57.344 55.803 -0.031 0.000 0.845 53 Q CB -1.036 27.716 28.738 0.024 0.000 0.907 53 Q HN 0.322 nan 8.270 nan 0.000 0.439 54 A N 1.365 124.151 122.820 -0.057 0.000 1.908 54 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 54 A C 2.177 179.694 177.584 -0.112 0.000 1.181 54 A CA 1.752 53.752 52.037 -0.062 0.000 0.627 54 A CB -0.496 18.483 19.000 -0.033 0.000 0.818 54 A HN 0.275 nan 8.150 nan 0.000 0.445 55 R N -0.581 119.808 120.500 -0.184 0.000 2.119 55 R HA 0.042 4.382 4.340 -0.000 0.000 0.222 55 R C 2.206 178.313 176.300 -0.322 0.000 1.088 55 R CA 1.137 57.077 56.100 -0.266 0.000 0.984 55 R CB -0.340 29.725 30.300 -0.392 0.000 0.884 55 R HN 0.421 nan 8.270 nan 0.000 0.447 56 A N 0.875 123.471 122.820 -0.373 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 -0.154 0.000 1.169 56 A CA 1.738 53.598 52.037 -0.295 0.000 0.635 56 A CB -0.402 18.455 19.000 -0.238 0.000 0.810 56 A HN 0.470 nan 8.150 nan 0.000 0.446 57 E N 0.338 120.464 120.200 -0.122 0.000 2.046 57 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 57 E C 2.014 178.574 176.600 -0.066 0.000 0.982 57 E CA 1.531 57.886 56.400 -0.075 0.000 0.800 57 E CB -0.552 29.113 29.700 -0.058 0.000 0.756 57 E HN 0.421 nan 8.360 nan 0.000 0.449 58 A N 0.834 123.607 122.820 -0.079 0.000 1.927 58 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 58 A C 2.354 179.909 177.584 -0.048 0.000 1.185 58 A CA 1.900 53.901 52.037 -0.059 0.000 0.639 58 A CB -0.864 18.096 19.000 -0.067 0.000 0.820 58 A HN 0.407 nan 8.150 nan 0.000 0.451 59 I N -1.117 119.416 120.570 -0.062 0.000 2.353 59 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 59 I C 2.440 178.542 176.117 -0.025 0.000 1.119 59 I CA 1.668 62.946 61.300 -0.037 0.000 1.417 59 I CB -0.260 37.715 38.000 -0.041 0.000 1.078 59 I HN 0.325 nan 8.210 nan 0.000 0.421 60 K N 1.451 121.830 120.400 -0.034 0.000 2.362 60 K HA -0.097 4.223 4.320 -0.000 0.000 0.200 60 K C 1.116 177.706 176.600 -0.017 0.000 1.046 60 K CA 1.250 57.524 56.287 -0.023 0.000 0.952 60 K CB 0.207 32.690 32.500 -0.028 0.000 0.753 60 K HN 0.178 nan 8.250 nan 0.000 0.466 61 K N -0.332 120.056 120.400 -0.020 0.000 2.676 61 K HA 0.138 4.458 4.320 -0.000 0.000 0.205 61 K C -0.787 175.806 176.600 -0.011 0.000 1.084 61 K CA 0.209 56.488 56.287 -0.014 0.000 1.057 61 K CB 1.458 33.948 32.500 -0.016 0.000 0.791 61 K HN 0.276 nan 8.250 nan 0.000 0.484 62 G N 2.363 111.157 108.800 -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 0.092 174.988 174.900 -0.007 0.000 0.818 62 G CA 0.504 45.601 45.100 -0.005 0.000 1.189 62 G HN 0.415 nan 8.290 nan 0.000 0.337 63 K N -0.331 120.063 120.400 -0.010 0.000 2.648 63 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 63 K C 0.610 177.206 176.600 -0.007 0.000 1.721 63 K CA 0.271 56.551 56.287 -0.010 0.000 1.183 63 K CB 0.984 33.473 32.500 -0.018 0.000 1.618 63 K HN 0.368 nan 8.250 nan 0.000 0.595 64 K N 1.590 121.985 120.400 -0.009 0.000 2.535 64 K HA 0.202 4.522 4.320 -0.000 0.000 0.251 64 K C -1.543 175.063 176.600 0.011 0.000 0.942 64 K CA -0.472 55.816 56.287 0.002 0.000 0.798 64 K CB 2.085 34.579 32.500 -0.011 0.000 1.267 64 K HN -0.049 nan 8.250 nan 0.000 0.434 65 Q N 2.992 122.811 119.800 0.032 0.000 2.263 65 Q HA -0.066 4.274 4.340 -0.000 0.000 0.289 65 Q C -0.400 175.621 176.000 0.036 0.000 1.061 65 Q CA 0.393 56.217 55.803 0.034 0.000 0.927 65 Q CB 0.425 29.188 28.738 0.042 0.000 1.154 65 Q HN 0.551 nan 8.270 nan 0.000 0.378 66 N N 2.599 121.320 118.700 0.035 0.000 2.483 66 N HA -0.060 4.680 4.740 -0.000 0.000 0.264 66 N C 0.506 176.030 175.510 0.022 0.000 1.197 66 N CA 0.102 53.181 53.050 0.049 0.000 0.927 66 N CB 0.732 39.270 38.487 0.085 0.000 1.065 66 N HN 0.660 nan 8.380 nan 0.000 0.461 67 T N 3.397 117.959 114.554 0.013 0.000 2.668 67 T HA -0.262 4.088 4.350 -0.000 0.000 0.265 67 T C 1.395 175.787 174.700 -0.514 0.000 1.041 67 T CA 1.438 63.426 62.100 -0.187 0.000 1.160 67 T CB -0.410 68.340 68.868 -0.197 0.000 0.857 67 T HN 0.760 nan 8.240 nan 0.000 0.455 68 W N 2.175 123.187 121.300 -0.481 0.000 2.425 68 W HA -0.116 4.545 4.660 0.000 0.000 0.277 68 W C 1.377 177.810 176.519 -0.143 0.000 1.231 68 W CA 1.092 58.203 57.345 -0.389 0.000 1.248 68 W CB -0.267 29.089 29.460 -0.174 0.000 1.117 68 W HN 0.290 nan 8.180 nan 0.000 0.568 69 D N 1.024 121.366 120.400 -0.097 0.000 2.123 69 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 69 D C 2.244 178.444 176.300 -0.166 0.000 0.976 69 D CA 1.285 55.211 54.000 -0.123 0.000 0.831 69 D CB -0.463 40.342 40.800 0.009 0.000 0.974 69 D HN 0.249 nan 8.370 nan 0.000 0.469 70 L N -0.043 121.103 121.223 -0.129 0.000 2.265 70 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 70 L C 2.111 178.963 176.870 -0.029 0.000 1.117 70 L CA 0.849 55.638 54.840 -0.086 0.000 0.782 70 L CB -0.205 41.830 42.059 -0.039 0.000 0.914 70 L HN -0.026 nan 8.230 nan 0.000 0.441 71 F N 0.082 119.823 119.950 -0.349 0.000 2.037 71 F HA -0.200 4.327 4.527 -0.000 0.000 0.291 71 F C 2.493 178.025 175.800 -0.446 0.000 1.137 71 F CA 1.087 58.822 58.000 -0.440 0.000 1.178 71 F CB -0.145 38.368 39.000 -0.811 0.000 0.995 71 F HN 0.012 nan 8.300 nan 0.000 0.472 72 E N 0.068 119.974 120.200 -0.490 0.000 2.204 72 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 72 E C 2.031 178.495 176.600 -0.227 0.000 0.990 72 E CA 0.698 56.852 56.400 -0.410 0.000 0.821 72 E CB -0.054 29.368 29.700 -0.462 0.000 0.750 72 E HN 0.288 nan 8.360 nan 0.000 0.477 73 E N 1.170 121.257 120.200 -0.188 0.000 2.028 73 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 73 E C 1.451 177.960 176.600 -0.151 0.000 0.984 73 E CA 0.962 57.281 56.400 -0.136 0.000 0.800 73 E CB 0.071 29.708 29.700 -0.105 0.000 0.758 73 E HN 0.158 nan 8.360 nan 0.000 0.448 74 R N -0.220 120.181 120.500 -0.165 0.000 2.328 74 R HA 0.079 4.419 4.340 -0.000 0.000 0.206 74 R C 0.904 176.958 176.300 -0.411 0.000 0.990 74 R CA 0.506 56.445 56.100 -0.270 0.000 1.085 74 R CB -0.292 29.833 30.300 -0.291 0.000 0.998 74 R HN 0.281 nan 8.270 nan 0.000 0.484 75 G N 0.895 109.526 108.800 -0.282 0.000 2.338 75 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.296 75 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.296 75 G C 0.051 174.754 174.900 -0.328 0.000 1.040 75 G CA 0.083 45.020 45.100 -0.272 0.000 1.004 75 G HN 0.442 nan 8.290 nan 0.000 0.509 76 Y N -1.174 118.977 120.300 -0.248 0.000 2.510 76 Y HA 0.312 4.862 4.550 -0.000 0.000 0.273 76 Y C 1.650 177.456 175.900 -0.156 0.000 1.119 76 Y CA 0.571 58.525 58.100 -0.245 0.000 1.286 76 Y CB 0.727 38.955 38.460 -0.386 0.000 1.061 76 Y HN 0.282 nan 8.280 nan 0.000 0.542 77 V N 0.276 120.149 119.914 -0.067 0.000 2.483 77 V HA 0.290 4.410 4.120 -0.000 0.000 0.295 77 V C 0.469 176.567 176.094 0.007 0.000 1.035 77 V CA -0.766 61.526 62.300 -0.013 0.000 0.896 77 V CB 2.027 33.736 31.823 -0.189 0.000 0.986 77 V HN 0.044 nan 8.190 nan 0.000 0.447 78 K N 1.319 121.764 120.400 0.075 0.000 2.485 78 K HA 0.281 4.601 4.320 -0.000 0.000 0.200 78 K C -0.359 176.271 176.600 0.050 0.000 1.352 78 K CA 0.174 56.483 56.287 0.035 0.000 0.953 78 K CB 0.758 33.267 32.500 0.015 0.000 1.387 78 K HN 0.931 nan 8.250 nan 0.000 0.512 79 D N -0.951 119.520 120.400 0.118 0.000 2.523 79 D HA 0.288 4.928 4.640 -0.000 0.000 0.236 79 D C -1.284 175.227 176.300 0.351 0.000 1.094 79 D CA -0.604 53.463 54.000 0.112 0.000 0.942 79 D CB 2.365 43.060 40.800 -0.175 0.000 1.447 79 D HN -0.110 nan 8.370 nan 0.000 0.479 80 T N -0.789 114.007 114.554 0.403 0.000 2.923 80 T HA 0.671 5.021 4.350 -0.000 0.000 0.311 80 T C -1.838 173.103 174.700 0.400 0.000 1.183 80 T CA -0.622 61.747 62.100 0.448 0.000 1.020 80 T CB 1.274 70.373 68.868 0.384 0.000 1.165 80 T HN 0.455 nan 8.240 nan 0.000 0.482 81 A N 2.452 125.446 122.820 0.290 0.000 2.399 81 A HA 0.856 5.176 4.320 -0.000 0.000 0.327 81 A C 0.531 178.161 177.584 0.076 0.000 1.367 81 A CA 0.201 52.332 52.037 0.156 0.000 0.842 81 A CB -0.350 18.692 19.000 0.070 0.000 1.142 81 A HN 1.726 nan 8.150 nan 0.000 0.495 82 G N 0.561 109.392 108.800 0.051 0.000 2.347 82 G HA2 0.347 4.307 3.960 -0.000 0.000 0.477 82 G HA3 0.347 4.307 3.960 -0.000 0.000 0.477 82 G C -0.486 174.422 174.900 0.015 0.000 1.349 82 G CA -0.432 44.649 45.100 -0.033 0.000 1.000 82 G HN 0.914 nan 8.290 nan 0.000 0.605 83 T N 1.833 116.426 114.554 0.065 0.000 2.870 83 T HA 0.306 4.656 4.350 -0.000 0.000 0.300 83 T C 1.902 176.591 174.700 -0.017 0.000 0.989 83 T CA 0.366 62.515 62.100 0.080 0.000 1.139 83 T CB 1.395 70.342 68.868 0.131 0.000 0.920 83 T HN 0.751 nan 8.240 nan 0.000 0.537 84 K N 2.868 123.269 120.400 0.002 0.000 2.074 84 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 84 K C 1.451 177.962 176.600 -0.149 0.000 1.048 84 K CA 1.701 57.972 56.287 -0.026 0.000 0.926 84 K CB -0.195 32.397 32.500 0.153 0.000 0.713 84 K HN 0.533 nan 8.250 nan 0.000 0.444 85 E N 0.064 120.240 120.200 -0.040 0.000 2.216 85 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 85 E C 2.016 178.587 176.600 -0.048 0.000 0.988 85 E CA 0.569 56.944 56.400 -0.041 0.000 0.834 85 E CB -0.188 29.510 29.700 -0.004 0.000 0.772 85 E HN 0.341 nan 8.360 nan 0.000 0.479 86 H N 1.069 120.054 119.070 -0.142 0.000 2.253 86 H HA -0.098 4.458 4.556 0.000 0.000 0.296 86 H C 1.903 177.122 175.328 -0.182 0.000 1.067 86 H CA 1.809 57.785 56.048 -0.120 0.000 1.245 86 H CB -0.461 29.245 29.762 -0.093 0.000 1.364 86 H HN 0.140 nan 8.280 nan 0.000 0.494 87 I N 0.896 121.361 120.570 -0.174 0.000 2.315 87 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 87 I C 2.906 178.797 176.117 -0.376 0.000 1.125 87 I CA 1.074 62.140 61.300 -0.391 0.000 1.392 87 I CB -0.525 36.946 38.000 -0.881 0.000 1.065 87 I HN 0.280 nan 8.210 nan 0.000 0.424 88 A N 0.804 123.362 122.820 -0.438 0.000 1.828 88 A HA -0.271 4.049 4.320 -0.000 0.000 0.215 88 A C 2.284 179.862 177.584 -0.010 0.000 1.203 88 A CA 2.056 53.975 52.037 -0.197 0.000 0.614 88 A CB -0.772 18.172 19.000 -0.094 0.000 0.844 88 A HN 0.376 nan 8.150 nan 0.000 0.445 89 E N -0.260 119.944 120.200 0.006 0.000 2.086 89 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 89 E C 1.787 178.448 176.600 0.102 0.000 1.012 89 E CA 1.642 58.069 56.400 0.045 0.000 0.812 89 E CB -0.583 29.129 29.700 0.020 0.000 0.743 89 E HN 0.402 nan 8.360 nan 0.000 0.453 90 L N -0.002 121.303 121.223 0.136 0.000 2.043 90 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 90 L C 2.214 179.245 176.870 0.268 0.000 1.075 90 L CA 1.977 56.937 54.840 0.200 0.000 0.752 90 L CB -0.388 41.794 42.059 0.205 0.000 0.891 90 L HN 0.286 nan 8.230 nan 0.000 0.432 91 M N -1.532 118.216 119.600 0.247 0.000 2.562 91 M HA -0.087 4.393 4.480 -0.000 0.000 0.257 91 M C 2.197 178.724 176.300 0.380 0.000 1.099 91 M CA 0.859 56.394 55.300 0.392 0.000 1.099 91 M CB -0.329 32.432 32.600 0.269 0.000 1.427 91 M HN 0.315 nan 8.290 nan 0.000 0.489 92 R N 0.605 121.225 120.500 0.200 0.000 2.140 92 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 92 R C 1.547 177.849 176.300 0.004 0.000 1.059 92 R CA 1.561 57.687 56.100 0.042 0.000 1.000 92 R CB 0.251 30.557 30.300 0.011 0.000 0.910 92 R HN 0.311 nan 8.270 nan 0.000 0.455 93 T N -2.538 112.130 114.554 0.189 0.000 3.228 93 T HA 0.339 4.689 4.350 -0.000 0.000 0.278 93 T C -0.013 174.971 174.700 0.473 0.000 1.014 93 T CA -0.602 61.650 62.100 0.254 0.000 0.904 93 T CB 0.113 69.073 68.868 0.153 0.000 1.110 93 T HN 0.040 nan 8.240 nan 0.000 0.541 94 R N 0.421 121.351 120.500 0.717 0.000 2.523 94 R HA 0.370 4.710 4.340 -0.000 0.000 0.278 94 R C -0.374 176.087 176.300 0.268 0.000 1.150 94 R CA -0.584 55.774 56.100 0.430 0.000 0.987 94 R CB 1.070 31.552 30.300 0.304 0.000 1.232 94 R HN 0.094 nan 8.270 nan 0.000 0.424 95 R N 4.998 125.227 120.500 -0.453 0.000 4.160 95 R HA 0.044 4.384 4.340 -0.000 0.000 0.216 95 R C 0.619 176.881 176.300 -0.062 0.000 2.009 95 R CA -0.130 55.469 56.100 -0.834 0.000 1.664 95 R CB -0.884 28.734 30.300 -1.136 0.000 1.216 95 R HN 0.544 nan 8.270 nan 0.000 0.648 96 I N -1.982 118.753 120.570 0.275 0.000 3.411 96 I HA 0.003 4.173 4.170 -0.000 0.000 0.291 96 I C 0.430 176.797 176.117 0.417 0.000 1.273 96 I CA 0.521 62.039 61.300 0.362 0.000 1.366 96 I CB 0.360 38.610 38.000 0.416 0.000 1.327 96 I HN 0.098 nan 8.210 nan 0.000 0.596 97 G N 2.739 111.776 108.800 0.395 0.000 2.416 97 G HA2 0.825 4.785 3.960 -0.000 0.000 0.329 97 G HA3 0.825 4.785 3.960 -0.000 0.000 0.329 97 G C -1.256 173.900 174.900 0.427 0.000 1.173 97 G CA -0.326 45.048 45.100 0.457 0.000 0.929 97 G HN 1.171 nan 8.290 nan 0.000 0.475 98 A N 1.201 124.293 122.820 0.452 0.000 2.515 98 A HA 0.882 5.202 4.320 -0.000 0.000 0.298 98 A C -1.206 176.617 177.584 0.399 0.000 1.059 98 A CA -0.805 51.436 52.037 0.341 0.000 0.698 98 A CB 1.356 20.523 19.000 0.278 0.000 1.289 98 A HN 1.632 nan 8.150 nan 0.000 0.404 99 Y N -0.748 119.555 120.300 0.004 0.000 2.634 99 Y HA 0.835 5.385 4.550 -0.000 0.000 0.340 99 Y C -1.413 174.426 175.900 -0.101 0.000 1.058 99 Y CA -1.451 56.666 58.100 0.029 0.000 1.081 99 Y CB 1.606 40.074 38.460 0.013 0.000 1.295 99 Y HN 0.463 nan 8.280 nan 0.000 0.487 100 V N 2.279 122.067 119.914 -0.210 0.000 2.443 100 V HA 0.576 4.696 4.120 -0.000 0.000 0.293 100 V C 0.206 176.180 176.094 -0.201 0.000 1.021 100 V CA -0.485 61.594 62.300 -0.368 0.000 0.848 100 V CB 1.212 32.885 31.823 -0.249 0.000 0.998 100 V HN 1.090 nan 8.190 nan 0.000 0.424 101 G N 5.159 113.780 108.800 -0.298 0.000 2.390 101 G HA2 0.646 4.606 3.960 -0.000 0.000 0.270 101 G HA3 0.646 4.606 3.960 -0.000 0.000 0.270 101 G C -0.635 174.257 174.900 -0.014 0.000 1.211 101 G CA -0.189 44.908 45.100 -0.006 0.000 0.842 101 G HN 0.629 nan 8.290 nan 0.000 0.519 102 I N 2.032 122.616 120.570 0.024 0.000 2.531 102 I HA 0.103 4.273 4.170 -0.000 0.000 0.283 102 I C -1.156 174.976 176.117 0.024 0.000 1.083 102 I CA -0.729 60.533 61.300 -0.063 0.000 1.071 102 I CB 2.129 40.000 38.000 -0.216 0.000 1.210 102 I HN 0.361 nan 8.210 nan 0.000 0.450 103 D N 8.552 128.999 120.400 0.078 0.000 2.348 103 D HA 0.163 4.803 4.640 -0.000 0.000 0.253 103 D C -1.902 174.461 176.300 0.105 0.000 1.161 103 D CA -0.877 53.191 54.000 0.113 0.000 0.876 103 D CB 1.066 41.958 40.800 0.154 0.000 1.160 103 D HN 0.271 nan 8.370 nan 0.000 0.459 104 P HA 0.039 nan 4.420 nan 0.000 0.220 104 P C 0.270 177.634 177.300 0.106 0.000 1.806 104 P CA -0.072 63.091 63.100 0.106 0.000 0.976 104 P CB -0.149 31.602 31.700 0.084 0.000 1.952 105 T N -2.373 112.254 114.554 0.121 0.000 3.081 105 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 105 T C 0.780 175.559 174.700 0.130 0.000 1.100 105 T CA -0.102 62.060 62.100 0.104 0.000 1.038 105 T CB 0.305 69.226 68.868 0.088 0.000 0.962 105 T HN 0.248 nan 8.240 nan 0.000 0.516 106 A N 2.228 125.157 122.820 0.182 0.000 2.423 106 A HA 0.740 5.060 4.320 -0.000 0.000 0.304 106 A C -2.438 175.286 177.584 0.235 0.000 1.104 106 A CA -2.034 50.153 52.037 0.251 0.000 0.757 106 A CB 1.376 20.610 19.000 0.391 0.000 1.313 106 A HN 0.048 nan 8.150 nan 0.000 0.423 107 P HA 0.136 nan 4.420 nan 0.000 0.255 107 P C -0.123 177.264 177.300 0.144 0.000 1.427 107 P CA 0.569 63.735 63.100 0.109 0.000 0.863 107 P CB 0.250 31.954 31.700 0.007 0.000 1.444 108 S N -0.455 115.436 115.700 0.319 0.000 2.669 108 S HA 0.238 4.708 4.470 -0.000 0.000 0.304 108 S C -1.260 173.656 174.600 0.526 0.000 1.021 108 S CA -0.715 57.717 58.200 0.386 0.000 0.854 108 S CB 0.094 63.522 63.200 0.379 0.000 1.048 108 S HN -0.054 nan 8.310 nan 0.000 0.452 109 L N 5.487 126.939 121.223 0.383 0.000 2.360 109 L HA 0.367 4.707 4.340 -0.000 0.000 0.276 109 L C 0.736 177.807 176.870 0.334 0.000 1.121 109 L CA -0.462 54.642 54.840 0.440 0.000 0.845 109 L CB 0.120 42.376 42.059 0.328 0.000 1.143 109 L HN 0.840 nan 8.230 nan 0.000 0.452 110 H N 0.610 119.670 119.070 -0.017 0.000 2.511 110 H HA 0.243 4.799 4.556 -0.000 0.000 0.346 110 H C 1.119 176.409 175.328 -0.063 0.000 1.128 110 H CA -0.866 55.054 56.048 -0.214 0.000 1.342 110 H CB 1.125 30.499 29.762 -0.647 0.000 1.470 110 H HN 0.386 nan 8.280 nan 0.000 0.546 111 V N 0.745 120.594 119.914 -0.109 0.000 2.592 111 V HA -0.280 3.840 4.120 -0.000 0.000 0.262 111 V C 2.064 178.048 176.094 -0.184 0.000 1.108 111 V CA 1.998 64.312 62.300 0.025 0.000 1.121 111 V CB -1.474 30.475 31.823 0.210 0.000 0.689 111 V HN 1.015 nan 8.190 nan 0.000 0.479 112 G N -0.570 107.739 108.800 -0.819 0.000 2.418 112 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 112 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 112 G C 1.245 175.930 174.900 -0.359 0.000 1.158 112 G CA 1.001 45.720 45.100 -0.635 0.000 0.771 112 G HN 0.701 nan 8.290 nan 0.000 0.545 113 H N -0.141 118.646 119.070 -0.472 0.000 2.543 113 H HA 0.066 4.622 4.556 -0.000 0.000 0.286 113 H C 2.410 177.692 175.328 -0.077 0.000 1.037 113 H CA -0.049 55.913 56.048 -0.144 0.000 1.250 113 H CB 0.053 29.784 29.762 -0.052 0.000 1.373 113 H HN 0.277 nan 8.280 nan 0.000 0.580 114 L N -0.313 120.961 121.223 0.086 0.000 1.961 114 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 114 L C 2.410 179.265 176.870 -0.024 0.000 1.075 114 L CA 0.804 55.712 54.840 0.114 0.000 0.749 114 L CB -0.585 41.637 42.059 0.272 0.000 0.890 114 L HN 0.239 nan 8.230 nan 0.000 0.433 115 L N 1.177 122.345 121.223 -0.092 0.000 2.026 115 L HA -0.238 4.102 4.340 -0.000 0.000 0.231 115 L C -0.454 176.353 176.870 -0.105 0.000 1.095 115 L CA 2.646 57.370 54.840 -0.194 0.000 0.810 115 L CB -1.882 40.125 42.059 -0.087 0.000 0.909 115 L HN 0.144 nan 8.230 nan 0.000 0.444 116 P HA -0.214 nan 4.420 nan 0.000 0.216 116 P C 2.166 179.287 177.300 -0.298 0.000 1.153 116 P CA 1.993 64.988 63.100 -0.174 0.000 0.858 116 P CB -0.127 31.496 31.700 -0.129 0.000 0.789 117 L N -1.823 119.197 121.223 -0.337 0.000 2.072 117 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 117 L C 2.953 179.288 176.870 -0.892 0.000 1.079 117 L CA 1.107 55.538 54.840 -0.683 0.000 0.752 117 L CB -0.937 40.697 42.059 -0.709 0.000 0.906 117 L HN -0.131 nan 8.230 nan 0.000 0.436 118 M N 0.104 119.472 119.600 -0.385 0.000 2.308 118 M HA -0.213 4.267 4.480 -0.000 0.000 0.257 118 M C -0.092 176.164 176.300 -0.073 0.000 1.070 118 M CA 2.491 57.806 55.300 0.024 0.000 1.080 118 M CB -2.460 30.253 32.600 0.189 0.000 1.274 118 M HN 0.111 nan 8.290 nan 0.000 0.434 119 P HA -0.177 nan 4.420 nan 0.000 0.216 119 P C 1.943 179.216 177.300 -0.046 0.000 1.153 119 P CA 1.370 64.023 63.100 -0.745 0.000 0.858 119 P CB -0.342 30.616 31.700 -1.236 0.000 0.789 120 L N -0.361 120.749 121.223 -0.189 0.000 1.978 120 L HA -0.195 4.145 4.340 -0.000 0.000 0.218 120 L C 2.777 179.730 176.870 0.140 0.000 1.075 120 L CA 2.013 56.824 54.840 -0.048 0.000 0.767 120 L CB -1.575 40.311 42.059 -0.289 0.000 0.890 120 L HN -0.185 nan 8.230 nan 0.000 0.434 121 F N -1.942 118.053 119.950 0.076 0.000 2.063 121 F HA -0.380 4.147 4.527 0.000 0.000 0.298 121 F C 2.181 178.072 175.800 0.151 0.000 1.105 121 F CA 1.463 59.474 58.000 0.019 0.000 1.215 121 F CB -0.862 38.083 39.000 -0.092 0.000 0.972 121 F HN 0.224 nan 8.300 nan 0.000 0.483 122 W N 0.416 121.905 121.300 0.316 0.000 2.302 122 W HA -0.272 4.388 4.660 -0.000 0.000 0.320 122 W C 2.625 179.315 176.519 0.285 0.000 1.241 122 W CA 1.643 59.160 57.345 0.287 0.000 1.264 122 W CB -0.927 28.705 29.460 0.286 0.000 1.154 122 W HN -0.023 nan 8.180 nan 0.000 0.483 123 M N -1.634 118.270 119.600 0.506 0.000 2.089 123 M HA -0.328 4.152 4.480 -0.000 0.000 0.257 123 M C 2.122 178.712 176.300 0.483 0.000 1.071 123 M CA 2.131 57.644 55.300 0.354 0.000 1.096 123 M CB -1.145 31.571 32.600 0.193 0.000 1.330 123 M HN 0.097 nan 8.290 nan 0.000 0.403 124 Y N 1.155 121.650 120.300 0.325 0.000 2.151 124 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 124 Y C 1.887 177.896 175.900 0.182 0.000 1.166 124 Y CA 1.730 59.993 58.100 0.271 0.000 1.163 124 Y CB -0.458 38.204 38.460 0.337 0.000 0.974 124 Y HN 0.120 nan 8.280 nan 0.000 0.511 125 L N -0.113 121.153 121.223 0.071 0.000 2.012 125 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 125 L C 2.544 179.528 176.870 0.189 0.000 1.073 125 L CA 1.816 56.538 54.840 -0.198 0.000 0.748 125 L CB -0.620 41.101 42.059 -0.564 0.000 0.891 125 L HN 0.211 nan 8.230 nan 0.000 0.431 126 E N 0.112 120.535 120.200 0.373 0.000 2.338 126 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 126 E C 0.804 177.656 176.600 0.420 0.000 1.007 126 E CA 0.789 57.472 56.400 0.472 0.000 0.849 126 E CB 0.136 30.177 29.700 0.568 0.000 0.774 126 E HN 0.562 nan 8.360 nan 0.000 0.506 127 G N 0.295 109.285 108.800 0.317 0.000 2.618 127 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.180 127 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.180 127 G C -0.620 174.249 174.900 -0.051 0.000 1.092 127 G CA -0.197 44.974 45.100 0.118 0.000 0.856 127 G HN 0.097 nan 8.290 nan 0.000 0.496 128 Y N -0.286 120.050 120.300 0.061 0.000 2.914 128 Y HA 0.739 5.289 4.550 -0.000 0.000 0.324 128 Y C 0.917 176.852 175.900 0.058 0.000 1.280 128 Y CA -0.946 57.178 58.100 0.040 0.000 1.133 128 Y CB 1.059 39.629 38.460 0.185 0.000 1.395 128 Y HN 0.015 nan 8.280 nan 0.000 0.645 129 K N 1.110 121.703 120.400 0.323 0.000 2.449 129 K HA 0.730 5.050 4.320 -0.000 0.000 0.257 129 K C -1.358 175.383 176.600 0.235 0.000 0.989 129 K CA -0.471 55.929 56.287 0.189 0.000 0.916 129 K CB 1.186 33.858 32.500 0.287 0.000 1.136 129 K HN 0.603 nan 8.250 nan 0.000 0.439 130 A N 3.377 126.184 122.820 -0.022 0.000 2.374 130 A HA 0.885 5.205 4.320 -0.000 0.000 0.317 130 A C -1.226 176.187 177.584 -0.286 0.000 1.094 130 A CA -0.565 51.546 52.037 0.124 0.000 0.765 130 A CB 0.663 19.885 19.000 0.370 0.000 1.268 130 A HN 0.543 nan 8.150 nan 0.000 0.438 131 F N -0.644 119.460 119.950 0.258 0.000 2.643 131 F HA 0.696 5.223 4.527 -0.000 0.000 0.314 131 F C 0.297 176.293 175.800 0.327 0.000 1.096 131 F CA -0.332 57.805 58.000 0.229 0.000 0.953 131 F CB 2.486 41.573 39.000 0.145 0.000 1.345 131 F HN 0.585 nan 8.300 nan 0.000 0.468 132 T N 0.344 115.218 114.554 0.534 0.000 2.879 132 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 132 T C -1.460 173.450 174.700 0.350 0.000 0.993 132 T CA -0.642 61.700 62.100 0.403 0.000 0.975 132 T CB 1.512 70.639 68.868 0.432 0.000 0.981 132 T HN 0.638 nan 8.240 nan 0.000 0.439 133 L N 3.875 125.308 121.223 0.349 0.000 2.295 133 L HA 0.716 5.056 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 -0.961 54.057 54.840 0.298 0.000 0.806 133 L CB 0.684 43.012 42.059 0.448 0.000 1.214 133 L HN 0.775 nan 8.230 nan 0.000 0.426 134 I N 4.532 125.178 120.570 0.126 0.000 2.359 134 I HA 0.331 4.501 4.170 -0.000 0.000 0.294 134 I C 1.069 177.222 176.117 0.059 0.000 0.987 134 I CA -0.425 60.927 61.300 0.087 0.000 1.225 134 I CB 1.775 39.819 38.000 0.074 0.000 1.366 134 I HN 0.866 nan 8.210 nan 0.000 0.466 135 G N 4.219 113.068 108.800 0.081 0.000 3.474 135 G HA2 0.089 4.049 3.960 -0.000 0.000 0.269 135 G HA3 0.089 4.049 3.960 -0.000 0.000 0.269 135 G C 1.230 176.156 174.900 0.044 0.000 1.339 135 G CA -0.000 45.151 45.100 0.085 0.000 1.258 135 G HN 0.935 nan 8.290 nan 0.000 0.560 136 G N 0.072 108.875 108.800 0.005 0.000 2.689 136 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 136 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 136 G C 1.378 176.269 174.900 -0.015 0.000 1.119 136 G CA 1.260 46.352 45.100 -0.013 0.000 0.732 136 G HN 0.468 nan 8.290 nan 0.000 0.576 137 S N -2.041 113.652 115.700 -0.011 0.000 2.727 137 S HA 0.022 4.492 4.470 -0.000 0.000 0.249 137 S C 2.134 176.699 174.600 -0.057 0.000 1.079 137 S CA 0.627 58.807 58.200 -0.033 0.000 0.912 137 S CB 0.210 63.395 63.200 -0.026 0.000 0.861 137 S HN 0.430 nan 8.310 nan 0.000 0.484 138 T N 1.833 116.369 114.554 -0.029 0.000 3.051 138 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 138 T C 1.692 176.433 174.700 0.069 0.000 1.127 138 T CA 1.242 63.339 62.100 -0.006 0.000 1.107 138 T CB -0.316 68.585 68.868 0.056 0.000 0.898 138 T HN 0.298 nan 8.240 nan 0.000 0.517 139 A N 1.983 124.835 122.820 0.053 0.000 1.933 139 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 139 A C 2.070 179.674 177.584 0.034 0.000 1.175 139 A CA 1.137 53.209 52.037 0.057 0.000 0.628 139 A CB -0.332 18.697 19.000 0.048 0.000 0.814 139 A HN 0.490 nan 8.150 nan 0.000 0.444 140 K N -0.400 120.004 120.400 0.008 0.000 2.632 140 K HA 0.119 4.439 4.320 -0.000 0.000 0.196 140 K C 0.431 177.027 176.600 -0.007 0.000 1.023 140 K CA 0.326 56.610 56.287 -0.005 0.000 1.098 140 K CB -0.170 32.316 32.500 -0.024 0.000 0.862 140 K HN 0.503 nan 8.250 nan 0.000 0.504 141 I N -1.434 119.147 120.570 0.018 0.000 3.888 141 I HA 0.091 4.261 4.170 -0.000 0.000 0.268 141 I C 0.722 176.859 176.117 0.032 0.000 1.118 141 I CA 0.775 62.096 61.300 0.034 0.000 1.352 141 I CB -0.867 37.169 38.000 0.061 0.000 1.742 141 I HN 0.219 nan 8.210 nan 0.000 0.415 142 G N 2.735 111.582 108.800 0.079 0.000 2.797 142 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 142 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 142 G C -0.364 174.209 174.900 -0.545 0.000 1.452 142 G CA 0.135 45.186 45.100 -0.081 0.000 0.986 142 G HN 0.501 nan 8.290 nan 0.000 0.595 143 D N 2.161 122.020 120.400 -0.903 0.000 2.401 143 D HA 0.432 5.072 4.640 -0.000 0.000 0.254 143 D C -0.987 175.014 176.300 -0.499 0.000 1.192 143 D CA -0.575 52.682 54.000 -1.238 0.000 0.885 143 D CB 0.642 41.040 40.800 -0.669 0.000 1.147 143 D HN 0.338 nan 8.370 nan 0.000 0.478 144 P HA 0.197 nan 4.420 nan 0.000 0.287 144 P C -0.828 176.429 177.300 -0.072 0.000 1.281 144 P CA -0.505 62.516 63.100 -0.133 0.000 0.781 144 P CB 1.480 33.154 31.700 -0.044 0.000 0.903 145 T N 1.351 115.878 114.554 -0.045 0.000 3.583 145 T HA 0.534 4.884 4.350 -0.000 0.000 0.274 145 T C -0.468 174.228 174.700 -0.008 0.000 0.698 145 T CA 0.352 62.444 62.100 -0.014 0.000 1.262 145 T CB -0.991 67.867 68.868 -0.016 0.000 1.000 145 T HN 0.859 nan 8.240 nan 0.000 0.528 159 A N 0.717 123.547 122.820 0.017 0.000 2.148 159 A HA -0.112 4.208 4.320 -0.000 0.000 0.222 159 A C 2.035 179.632 177.584 0.022 0.000 1.161 159 A CA 2.974 55.026 52.037 0.024 0.000 0.662 159 A CB -1.341 17.674 19.000 0.024 0.000 0.799 159 A HN 0.552 nan 8.150 nan 0.000 0.466 160 T N 0.784 115.346 114.554 0.013 0.000 2.684 160 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 160 T C 1.929 176.634 174.700 0.009 0.000 1.036 160 T CA 2.058 64.161 62.100 0.005 0.000 1.148 160 T CB -0.433 68.434 68.868 -0.002 0.000 0.863 160 T HN 0.848 nan 8.240 nan 0.000 0.436 161 M N 0.676 120.284 119.600 0.015 0.000 2.394 161 M HA 0.087 4.567 4.480 -0.000 0.000 0.264 161 M C 1.972 178.296 176.300 0.041 0.000 1.073 161 M CA 1.203 56.517 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 -0.019 nan 8.290 nan 0.000 0.448 162 N N 1.549 120.274 118.700 0.043 0.000 2.037 162 N HA -0.231 4.509 4.740 -0.000 0.000 0.196 162 N C 1.851 177.407 175.510 0.077 0.000 1.034 162 N CA 2.306 55.394 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 0.564 nan 8.380 nan 0.000 0.427 163 M N 0.959 120.596 119.600 0.061 0.000 2.065 163 M HA -0.196 4.284 4.480 -0.000 0.000 0.259 163 M C 1.916 178.264 176.300 0.081 0.000 1.071 163 M CA 1.721 57.059 55.300 0.062 0.000 1.109 163 M CB -0.613 32.001 32.600 0.024 0.000 1.313 163 M HN 0.042 nan 8.290 nan 0.000 0.408 164 T N 1.652 116.239 114.554 0.055 0.000 2.624 164 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 164 T C 1.771 176.569 174.700 0.163 0.000 1.050 164 T CA 2.059 64.208 62.100 0.082 0.000 1.163 164 T CB -0.402 68.497 68.868 0.051 0.000 0.861 164 T HN 0.371 nan 8.240 nan 0.000 0.443 165 K N 0.596 121.077 120.400 0.134 0.000 2.000 165 K HA -0.108 4.212 4.320 -0.000 0.000 0.218 165 K C 2.275 178.969 176.600 0.157 0.000 1.053 165 K CA 1.588 57.964 56.287 0.148 0.000 0.946 165 K CB -0.886 31.676 32.500 0.103 0.000 0.723 165 K HN 0.427 nan 8.250 nan 0.000 0.446 166 I N 0.191 120.848 120.570 0.146 0.000 2.248 166 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 166 I C 2.505 178.724 176.117 0.170 0.000 1.107 166 I CA 1.291 62.675 61.300 0.140 0.000 1.373 166 I CB -0.493 37.587 38.000 0.134 0.000 1.055 166 I HN 0.280 nan 8.210 nan 0.000 0.418 167 H N 0.884 120.010 119.070 0.093 0.000 2.446 167 H HA -0.335 4.221 4.556 -0.000 0.000 0.296 167 H C 2.228 177.646 175.328 0.150 0.000 1.047 167 H CA 2.523 58.630 56.048 0.099 0.000 1.156 167 H CB -0.999 28.809 29.762 0.077 0.000 1.405 167 H HN 0.365 nan 8.280 nan 0.000 0.588 168 Y N 0.721 121.060 120.300 0.065 0.000 2.144 168 Y HA -0.431 4.119 4.550 -0.000 0.000 0.277 168 Y C 2.699 178.583 175.900 -0.026 0.000 1.229 168 Y CA 1.796 59.887 58.100 -0.015 0.000 1.144 168 Y CB -0.189 38.285 38.460 0.024 0.000 0.953 168 Y HN 0.465 nan 8.280 nan 0.000 0.515 169 Q N 0.158 119.947 119.800 -0.019 0.000 1.806 169 Q HA -0.255 4.085 4.340 -0.000 0.000 0.277 169 Q C 2.237 178.209 176.000 -0.045 0.000 0.993 169 Q CA 2.176 57.911 55.803 -0.114 0.000 0.888 169 Q CB -0.463 28.252 28.738 -0.038 0.000 0.941 169 Q HN 0.572 nan 8.270 nan 0.000 0.420 170 L N 0.797 122.033 121.223 0.023 0.000 2.166 170 L HA -0.406 3.934 4.340 -0.000 0.000 0.228 170 L C 2.444 179.411 176.870 0.162 0.000 1.101 170 L CA 1.833 56.725 54.840 0.087 0.000 0.821 170 L CB -0.776 41.383 42.059 0.166 0.000 0.908 170 L HN 0.287 nan 8.230 nan 0.000 0.447 171 K N -0.019 120.438 120.400 0.094 0.000 1.970 171 K HA -0.275 4.045 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 1.948 58.287 56.287 0.085 0.000 1.002 171 K CB -0.382 32.111 32.500 -0.012 0.000 0.743 171 K HN 0.163 nan 8.250 nan 0.000 0.445 172 K N 0.882 121.294 120.400 0.020 0.000 2.117 172 K HA -0.268 4.052 4.320 -0.000 0.000 0.215 172 K C 2.254 178.812 176.600 -0.070 0.000 1.053 172 K CA 1.852 58.121 56.287 -0.029 0.000 0.935 172 K CB -0.313 32.114 32.500 -0.122 0.000 0.719 172 K HN 0.090 nan 8.250 nan 0.000 0.460 173 L N 0.026 121.188 121.223 -0.102 0.000 1.955 173 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 173 L C 1.958 178.689 176.870 -0.232 0.000 1.072 173 L CA 2.049 56.774 54.840 -0.192 0.000 0.755 173 L CB -0.726 41.208 42.059 -0.207 0.000 0.888 173 L HN 0.360 nan 8.230 nan 0.000 0.432 174 W N 0.252 121.424 121.300 -0.213 0.000 2.290 174 W HA -0.358 4.302 4.660 -0.000 0.000 0.323 174 W C 2.721 179.075 176.519 -0.276 0.000 1.260 174 W CA 1.829 59.012 57.345 -0.270 0.000 1.266 174 W CB -0.372 28.964 29.460 -0.206 0.000 1.149 174 W HN 0.286 nan 8.180 nan 0.000 0.482 175 E N 0.373 120.613 120.200 0.067 0.000 2.068 175 E HA -0.295 4.055 4.350 -0.000 0.000 0.207 175 E C 1.561 178.120 176.600 -0.068 0.000 1.032 175 E CA 2.342 58.739 56.400 -0.005 0.000 0.839 175 E CB -0.642 29.051 29.700 -0.012 0.000 0.758 175 E HN 0.252 nan 8.360 nan 0.000 0.457 176 N N -0.786 117.838 118.700 -0.126 0.000 2.166 176 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 176 N C 1.743 177.095 175.510 -0.264 0.000 1.019 176 N CA 1.357 54.310 53.050 -0.163 0.000 0.856 176 N CB -0.272 38.119 38.487 -0.161 0.000 0.993 176 N HN 0.035 nan 8.380 nan 0.000 0.426 177 V N 1.064 120.737 119.914 -0.401 0.000 2.233 177 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 177 V C 1.992 177.891 176.094 -0.326 0.000 1.050 177 V CA 2.184 64.123 62.300 -0.601 0.000 1.010 177 V CB -0.770 30.544 31.823 -0.849 0.000 0.637 177 V HN 0.318 nan 8.190 nan 0.000 0.444 178 D N -0.249 120.097 120.400 -0.090 0.000 2.116 178 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 178 D C 2.100 178.361 176.300 -0.064 0.000 0.998 178 D CA 2.122 56.153 54.000 0.052 0.000 0.836 178 D CB -0.228 40.632 40.800 0.100 0.000 0.951 178 D HN 0.452 nan 8.370 nan 0.000 0.449 179 T N 0.029 114.528 114.554 -0.091 0.000 2.516 179 T HA -0.234 4.116 4.350 -0.000 0.000 0.261 179 T C 1.881 176.515 174.700 -0.108 0.000 1.130 179 T CA 1.573 63.624 62.100 -0.082 0.000 1.193 179 T CB -0.510 68.313 68.868 -0.075 0.000 0.864 179 T HN 0.239 nan 8.240 nan 0.000 0.410 180 Q N 0.282 119.982 119.800 -0.167 0.000 2.133 180 Q HA -0.226 4.114 4.340 -0.000 0.000 0.208 180 Q C 2.281 178.165 176.000 -0.194 0.000 0.991 180 Q CA 1.637 57.339 55.803 -0.168 0.000 0.867 180 Q CB -0.481 28.108 28.738 -0.248 0.000 0.911 180 Q HN 0.587 nan 8.270 nan 0.000 0.417 181 M N 0.784 120.201 119.600 -0.306 0.000 2.800 181 M HA -0.327 4.153 4.480 -0.000 0.000 0.271 181 M C 1.990 178.261 176.300 -0.049 0.000 1.059 181 M CA 2.361 57.443 55.300 -0.363 0.000 1.071 181 M CB -0.181 32.230 32.600 -0.315 0.000 1.227 181 M HN 0.052 nan 8.290 nan 0.000 0.505 182 R N 0.732 121.229 120.500 -0.006 0.000 2.159 182 R HA -0.010 4.330 4.340 -0.000 0.000 0.237 182 R C 2.229 178.562 176.300 0.055 0.000 1.131 182 R CA 1.398 57.532 56.100 0.057 0.000 0.982 182 R CB -1.262 29.051 30.300 0.022 0.000 0.868 182 R HN 0.617 nan 8.270 nan 0.000 0.453 183 A N 2.348 125.180 122.820 0.021 0.000 1.986 183 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 183 A C 0.971 178.590 177.584 0.059 0.000 1.171 183 A CA 1.383 53.435 52.037 0.025 0.000 0.640 183 A CB -0.396 18.604 19.000 0.000 0.000 0.811 183 A HN 0.406 nan 8.150 nan 0.000 0.451 184 R N -1.878 118.688 120.500 0.110 0.000 2.564 184 R HA 0.454 4.794 4.340 -0.000 0.000 0.282 184 R C 0.488 176.880 176.300 0.154 0.000 1.573 184 R CA -0.093 56.091 56.100 0.140 0.000 1.588 184 R CB -0.626 29.771 30.300 0.162 0.000 1.154 184 R HN 0.656 nan 8.270 nan 0.000 0.606 185 G N 1.524 110.364 108.800 0.067 0.000 2.341 185 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.292 185 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.292 185 G C -0.712 174.115 174.900 -0.121 0.000 1.021 185 G CA 0.339 45.427 45.100 -0.019 0.000 0.905 185 G HN 0.642 nan 8.290 nan 0.000 0.508 186 Y N 0.496 120.780 120.300 -0.027 0.000 2.417 186 Y HA 0.377 4.927 4.550 -0.000 0.000 0.336 186 Y C 0.843 176.720 175.900 -0.038 0.000 0.961 186 Y CA -0.702 57.374 58.100 -0.040 0.000 1.215 186 Y CB 0.942 39.356 38.460 -0.076 0.000 1.120 186 Y HN 0.296 nan 8.280 nan 0.000 0.499 187 E N 3.080 123.297 120.200 0.028 0.000 2.217 187 E HA 0.369 4.719 4.350 -0.000 0.000 0.279 187 E C -0.061 176.563 176.600 0.041 0.000 1.068 187 E CA -0.547 55.871 56.400 0.029 0.000 0.882 187 E CB 0.787 30.490 29.700 0.006 0.000 1.039 187 E HN 0.727 nan 8.360 nan 0.000 0.418 188 A N 3.807 126.641 122.820 0.023 0.000 2.577 188 A HA -0.035 4.285 4.320 -0.000 0.000 0.233 188 A C 0.066 177.655 177.584 0.010 0.000 1.076 188 A CA 0.288 52.319 52.037 -0.010 0.000 0.767 188 A CB 0.292 19.279 19.000 -0.022 0.000 1.017 188 A HN 0.671 nan 8.150 nan 0.000 0.511 189 D N -0.302 120.092 120.400 -0.010 0.000 2.787 189 D HA 0.291 4.931 4.640 -0.000 0.000 0.246 189 D C 0.434 176.772 176.300 0.062 0.000 1.150 189 D CA -0.620 53.407 54.000 0.045 0.000 0.864 189 D CB 0.508 41.329 40.800 0.036 0.000 1.481 189 D HN 0.543 nan 8.370 nan 0.000 0.509 190 W N 4.086 125.351 121.300 -0.058 0.000 2.302 190 W HA -0.263 4.397 4.660 -0.000 0.000 0.320 190 W C 1.785 178.257 176.519 -0.079 0.000 1.241 190 W CA 2.471 59.777 57.345 -0.066 0.000 1.264 190 W CB -0.018 29.394 29.460 -0.079 0.000 1.154 190 W HN 0.587 nan 8.180 nan 0.000 0.483 191 A N 0.283 123.344 122.820 0.402 0.000 2.066 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 191 A C 1.456 179.037 177.584 -0.005 0.000 1.157 191 A CA 0.455 52.639 52.037 0.245 0.000 0.670 191 A CB -0.723 18.343 19.000 0.110 0.000 0.804 191 A HN 0.233 nan 8.150 nan 0.000 0.453 192 R N 0.910 121.376 120.500 -0.057 0.000 2.458 192 R HA 0.171 4.511 4.340 -0.000 0.000 0.303 192 R C -0.587 175.673 176.300 -0.068 0.000 1.013 192 R CA 0.564 56.603 56.100 -0.100 0.000 1.026 192 R CB 0.045 30.226 30.300 -0.199 0.000 0.948 192 R HN 0.336 nan 8.270 nan 0.000 0.417 193 K N 4.127 124.531 120.400 0.005 0.000 2.502 193 K HA 0.324 4.644 4.320 -0.000 0.000 0.257 193 K C -0.959 175.536 176.600 -0.175 0.000 0.938 193 K CA -0.894 55.359 56.287 -0.056 0.000 0.819 193 K CB 1.669 34.069 32.500 -0.168 0.000 1.333 193 K HN 0.804 nan 8.250 nan 0.000 0.434 194 R N 0.540 120.774 120.500 -0.444 0.000 3.006 194 R HA 0.885 5.224 4.340 -0.000 0.000 0.235 194 R C -0.499 175.208 176.300 -0.989 0.000 1.362 194 R CA -0.948 54.525 56.100 -1.046 0.000 1.067 194 R CB 1.521 30.718 30.300 -1.838 0.000 1.396 194 R HN 0.653 nan 8.270 nan 0.000 0.504 195 G N -0.035 108.105 108.800 -1.099 0.000 2.358 195 G HA2 0.361 4.321 3.960 -0.000 0.000 0.303 195 G HA3 0.361 4.321 3.960 -0.000 0.000 0.303 195 G C -1.761 173.020 174.900 -0.199 0.000 1.537 195 G CA -0.950 43.816 45.100 -0.557 0.000 0.928 195 G HN 0.399 nan 8.290 nan 0.000 0.656 196 I N -0.096 120.431 120.570 -0.072 0.000 2.603 196 I HA 0.771 4.941 4.170 -0.000 0.000 0.300 196 I C 0.170 176.339 176.117 0.088 0.000 1.017 196 I CA -1.314 60.037 61.300 0.086 0.000 1.098 196 I CB 2.203 40.242 38.000 0.066 0.000 1.279 196 I HN 0.804 nan 8.210 nan 0.000 0.437 197 V N 1.139 121.113 119.914 0.100 0.000 2.777 197 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 197 V C -0.706 175.329 176.094 -0.098 0.000 1.112 197 V CA -0.754 61.535 62.300 -0.019 0.000 0.917 197 V CB 1.541 33.423 31.823 0.098 0.000 1.018 197 V HN 0.735 nan 8.190 nan 0.000 0.426 198 N N 3.803 122.314 118.700 -0.315 0.000 2.518 198 N HA 0.132 4.872 4.740 -0.000 0.000 0.266 198 N C 1.153 176.326 175.510 -0.562 0.000 1.196 198 N CA 0.463 53.318 53.050 -0.325 0.000 0.947 198 N CB 1.474 39.748 38.487 -0.355 0.000 1.098 198 N HN 1.005 nan 8.380 nan 0.000 0.450 199 N N 3.053 121.474 118.700 -0.464 0.000 2.354 199 N HA -0.166 4.574 4.740 -0.000 0.000 0.179 199 N C 0.715 175.720 175.510 -0.843 0.000 1.021 199 N CA 1.009 53.602 53.050 -0.762 0.000 0.887 199 N CB -0.509 37.965 38.487 -0.021 0.000 0.974 199 N HN 0.628 nan 8.380 nan 0.000 0.437 200 N N 0.147 118.634 118.700 -0.355 0.000 2.289 200 N HA -0.211 4.529 4.740 -0.000 0.000 0.184 200 N C 1.542 176.918 175.510 -0.224 0.000 1.016 200 N CA 1.125 54.078 53.050 -0.162 0.000 0.872 200 N CB -1.051 37.395 38.487 -0.068 0.000 0.973 200 N HN 0.185 nan 8.380 nan 0.000 0.433 201 H N -0.219 118.561 119.070 -0.483 0.000 2.414 201 H HA -0.212 4.343 4.556 -0.000 0.000 0.290 201 H C 0.988 176.252 175.328 -0.107 0.000 1.125 201 H CA 2.390 58.258 56.048 -0.301 0.000 1.207 201 H CB -0.246 29.317 29.762 -0.332 0.000 1.356 201 H HN 0.766 nan 8.280 nan 0.000 0.494 202 W N -3.790 117.531 121.300 0.035 0.000 3.298 202 W HA 0.195 4.855 4.660 0.000 0.000 0.239 202 W C 2.149 178.624 176.519 -0.074 0.000 1.082 202 W CA -0.405 56.880 57.345 -0.100 0.000 1.711 202 W CB -1.209 28.132 29.460 -0.198 0.000 0.944 202 W HN -0.051 nan 8.180 nan 0.000 0.712 203 W N 2.692 124.072 121.300 0.133 0.000 2.313 203 W HA -0.280 4.380 4.660 -0.000 0.000 0.293 203 W C 2.448 178.975 176.519 0.013 0.000 1.216 203 W CA 1.442 58.842 57.345 0.091 0.000 1.223 203 W CB -0.669 28.787 29.460 -0.007 0.000 1.138 203 W HN 0.033 nan 8.180 nan 0.000 0.535 204 N N 0.917 119.734 118.700 0.195 0.000 2.133 204 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 204 N C 0.878 176.449 175.510 0.102 0.000 1.012 204 N CA 1.687 54.801 53.050 0.108 0.000 0.871 204 N CB -0.206 38.310 38.487 0.049 0.000 1.011 204 N HN 0.246 nan 8.380 nan 0.000 0.435 205 K N -0.034 120.431 120.400 0.109 0.000 2.734 205 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 205 K C -0.758 175.894 176.600 0.086 0.000 1.120 205 K CA -0.289 56.047 56.287 0.082 0.000 1.067 205 K CB 0.776 33.306 32.500 0.050 0.000 0.771 205 K HN 0.028 nan 8.250 nan 0.000 0.481 206 Q N 2.437 122.311 119.800 0.124 0.000 2.262 206 Q HA 0.100 4.440 4.340 -0.000 0.000 0.272 206 Q C -2.502 173.525 176.000 0.045 0.000 1.076 206 Q CA -1.463 54.372 55.803 0.053 0.000 0.905 206 Q CB 0.567 29.279 28.738 -0.043 0.000 1.182 206 Q HN -0.096 nan 8.270 nan 0.000 0.390 207 P HA -0.038 nan 4.420 nan 0.000 0.263 207 P C -0.082 177.217 177.300 -0.001 0.000 1.195 207 P CA -0.075 63.037 63.100 0.020 0.000 0.762 207 P CB 0.567 32.284 31.700 0.028 0.000 0.799 208 M N 5.220 124.829 119.600 0.015 0.000 2.065 208 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 208 M C 1.521 177.827 176.300 0.010 0.000 1.071 208 M CA 1.876 57.181 55.300 0.009 0.000 1.109 208 M CB -1.108 31.506 32.600 0.023 0.000 1.313 208 M HN 0.276 nan 8.290 nan 0.000 0.408 209 L N -0.093 121.146 121.223 0.027 0.000 1.980 209 L HA -0.373 3.967 4.340 -0.000 0.000 0.232 209 L C 2.492 179.392 176.870 0.051 0.000 1.092 209 L CA 2.424 57.289 54.840 0.041 0.000 0.808 209 L CB -1.002 41.084 42.059 0.045 0.000 0.908 209 L HN 0.547 nan 8.230 nan 0.000 0.442 210 E N -0.372 119.861 120.200 0.054 0.000 2.045 210 E HA -0.288 4.062 4.350 -0.000 0.000 0.212 210 E C 1.972 178.630 176.600 0.097 0.000 1.039 210 E CA 2.895 59.345 56.400 0.084 0.000 0.860 210 E CB -0.210 29.547 29.700 0.095 0.000 0.776 210 E HN 0.256 nan 8.360 nan 0.000 0.467 211 V N 1.258 121.176 119.914 0.006 0.000 2.223 211 V HA -0.377 3.743 4.120 -0.000 0.000 0.253 211 V C 2.646 178.775 176.094 0.058 0.000 1.061 211 V CA 2.456 64.702 62.300 -0.091 0.000 1.035 211 V CB -0.959 30.653 31.823 -0.352 0.000 0.653 211 V HN 0.432 nan 8.190 nan 0.000 0.454 212 L N -1.036 120.200 121.223 0.021 0.000 2.085 212 L HA -0.333 4.007 4.340 -0.000 0.000 0.218 212 L C 2.811 179.713 176.870 0.054 0.000 1.080 212 L CA 2.421 57.279 54.840 0.030 0.000 0.776 212 L CB -0.338 41.733 42.059 0.020 0.000 0.891 212 L HN 0.304 nan 8.230 nan 0.000 0.437 213 R N -0.973 119.597 120.500 0.116 0.000 2.052 213 R HA -0.036 4.304 4.340 -0.000 0.000 0.226 213 R C 2.124 178.555 176.300 0.219 0.000 1.145 213 R CA 0.479 56.723 56.100 0.240 0.000 0.952 213 R CB -0.027 30.407 30.300 0.223 0.000 0.847 213 R HN 0.078 nan 8.270 nan 0.000 0.431 214 R N 0.516 121.119 120.500 0.172 0.000 2.438 214 R HA -0.098 4.242 4.340 -0.000 0.000 0.227 214 R C 1.030 177.380 176.300 0.084 0.000 1.153 214 R CA 1.269 57.448 56.100 0.132 0.000 1.059 214 R CB -0.219 30.212 30.300 0.218 0.000 0.831 214 R HN 0.420 nan 8.270 nan 0.000 0.487 215 V N -7.589 112.394 119.914 0.114 0.000 3.142 215 V HA 0.172 4.292 4.120 -0.000 0.000 0.250 215 V C 1.689 177.818 176.094 0.059 0.000 1.774 215 V CA 0.386 62.724 62.300 0.062 0.000 1.003 215 V CB -0.593 31.279 31.823 0.082 0.000 0.935 215 V HN 0.064 nan 8.190 nan 0.000 0.371 216 G N 0.005 108.836 108.800 0.052 0.000 2.432 216 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 216 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 216 G C 1.207 176.077 174.900 -0.050 0.000 1.135 216 G CA 1.417 46.507 45.100 -0.016 0.000 0.767 216 G HN 0.636 nan 8.290 nan 0.000 0.550 217 H N 0.246 119.331 119.070 0.026 0.000 2.545 217 H HA 0.155 4.711 4.556 -0.000 0.000 0.282 217 H C 2.229 177.563 175.328 0.009 0.000 1.020 217 H CA 0.958 57.017 56.048 0.018 0.000 1.243 217 H CB 0.295 30.064 29.762 0.012 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 0.095 0.000 2.508 218 A HA 0.228 4.548 4.320 -0.000 0.000 0.250 218 A C 0.256 177.857 177.584 0.027 0.000 1.208 218 A CA -0.155 51.910 52.037 0.048 0.000 0.960 218 A CB 0.801 19.812 19.000 0.019 0.000 1.099 218 A HN 0.023 nan 8.150 nan 0.000 0.542 219 L N 1.601 122.841 121.223 0.029 0.000 2.313 219 L HA 0.495 4.835 4.340 -0.000 0.000 0.283 219 L C -0.514 176.385 176.870 0.048 0.000 1.013 219 L CA -0.105 54.753 54.840 0.030 0.000 0.816 219 L CB 1.337 43.410 42.059 0.024 0.000 1.236 219 L HN 0.258 nan 8.230 nan 0.000 0.419 220 R N 4.019 124.554 120.500 0.058 0.000 2.346 220 R HA 0.294 4.634 4.340 -0.000 0.000 0.311 220 R C 1.115 177.484 176.300 0.116 0.000 0.983 220 R CA -0.469 55.675 56.100 0.072 0.000 0.880 220 R CB 1.927 32.261 30.300 0.056 0.000 1.100 220 R HN 0.714 nan 8.270 nan 0.000 0.453 221 I N -0.026 120.631 120.570 0.146 0.000 3.083 221 I HA -0.007 4.163 4.170 -0.000 0.000 0.273 221 I C 1.354 177.567 176.117 0.161 0.000 1.297 221 I CA 0.933 62.375 61.300 0.236 0.000 1.452 221 I CB -0.100 38.027 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 -0.128 3.832 3.960 -0.000 0.000 0.211 222 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.211 222 G C -0.633 174.319 174.900 0.088 0.000 1.364 222 G CA 1.060 46.203 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 2.023 179.393 177.300 0.117 0.000 1.146 223 P CA 0.969 64.120 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 -1.584 118.110 119.600 0.156 0.000 2.460 224 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 224 M C 1.586 178.084 176.300 0.329 0.000 1.071 224 M CA 1.360 56.798 55.300 0.229 0.000 1.096 224 M CB -0.909 31.850 32.600 0.266 0.000 1.408 224 M HN 0.040 nan 8.290 nan 0.000 0.463 225 L N -1.464 119.893 121.223 0.222 0.000 2.731 225 L HA 0.116 4.456 4.340 -0.000 0.000 0.240 225 L C 1.544 178.466 176.870 0.087 0.000 1.120 225 L CA 0.167 55.086 54.840 0.133 0.000 0.913 225 L CB 0.168 42.229 42.059 0.004 0.000 1.213 225 L HN 0.010 nan 8.230 nan 0.000 0.515 226 S N 0.006 115.761 115.700 0.091 0.000 2.527 226 S HA 0.151 4.621 4.470 -0.000 0.000 0.222 226 S C 0.603 175.251 174.600 0.079 0.000 0.985 226 S CA -0.173 58.069 58.200 0.070 0.000 0.921 226 S CB -0.166 63.072 63.200 0.063 0.000 0.772 226 S HN 0.247 nan 8.310 nan 0.000 0.529 227 R N 2.376 122.937 120.500 0.102 0.000 2.522 227 R HA 0.055 4.395 4.340 -0.000 0.000 0.284 227 R C 0.754 177.109 176.300 0.092 0.000 1.032 227 R CA -0.028 56.136 56.100 0.106 0.000 1.049 227 R CB 0.047 30.423 30.300 0.128 0.000 0.956 227 R HN 0.157 nan 8.270 nan 0.000 0.422 228 D N 1.926 122.375 120.400 0.082 0.000 2.104 228 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 228 D C 0.890 177.229 176.300 0.066 0.000 0.994 228 D CA 2.037 56.076 54.000 0.066 0.000 0.830 228 D CB 0.230 41.066 40.800 0.060 0.000 0.959 228 D HN 0.568 nan 8.370 nan 0.000 0.452 229 T N -0.446 114.154 114.554 0.078 0.000 2.736 229 T HA -0.237 4.113 4.350 -0.000 0.000 0.265 229 T C 1.939 176.680 174.700 0.069 0.000 1.031 229 T CA 1.689 63.832 62.100 0.073 0.000 1.155 229 T CB -0.510 68.412 68.868 0.090 0.000 0.849 229 T HN 0.024 nan 8.240 nan 0.000 0.471 230 V N 0.917 120.880 119.914 0.083 0.000 2.284 230 V HA -0.063 4.057 4.120 -0.000 0.000 0.236 230 V C 2.296 178.417 176.094 0.044 0.000 1.044 230 V CA 1.417 63.764 62.300 0.078 0.000 1.019 230 V CB -0.640 31.244 31.823 0.102 0.000 0.657 230 V HN 0.305 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 -0.298 4.022 4.320 -0.000 0.000 0.213 231 K C 1.833 178.444 176.600 0.018 0.000 1.050 231 K CA 2.574 58.875 56.287 0.022 0.000 0.932 231 K CB -0.539 31.977 32.500 0.026 0.000 0.717 231 K HN 0.597 nan 8.250 nan 0.000 0.462 232 N N 0.208 118.923 118.700 0.025 0.000 2.080 232 N HA -0.143 4.597 4.740 -0.000 0.000 0.189 232 N C 1.265 176.784 175.510 0.016 0.000 1.036 232 N CA 0.600 53.661 53.050 0.019 0.000 0.846 232 N CB -0.061 38.440 38.487 0.022 0.000 1.015 232 N HN -0.031 nan 8.380 nan 0.000 0.423 233 K N 0.970 121.383 120.400 0.022 0.000 2.795 233 K HA 0.018 4.338 4.320 -0.000 0.000 0.223 233 K C 0.690 177.298 176.600 0.013 0.000 0.965 233 K CA 0.625 56.923 56.287 0.019 0.000 1.092 233 K CB -0.178 32.340 32.500 0.030 0.000 0.900 233 K HN 0.292 nan 8.250 nan 0.000 0.483 234 M N -3.739 115.865 119.600 0.007 0.000 1.943 234 M HA 0.038 4.518 4.480 -0.000 0.000 0.186 234 M C 1.401 177.699 176.300 -0.003 0.000 1.568 234 M CA 0.179 55.478 55.300 -0.003 0.000 0.920 234 M CB 0.266 32.858 32.600 -0.013 0.000 1.543 234 M HN -0.081 nan 8.290 nan 0.000 0.584 235 T N 0.496 115.049 114.554 -0.001 0.000 2.590 235 T HA -0.008 4.342 4.350 -0.000 0.000 0.257 235 T C 0.961 175.662 174.700 0.002 0.000 1.080 235 T CA 0.855 62.955 62.100 -0.000 0.000 1.180 235 T CB -0.207 68.663 68.868 0.002 0.000 0.865 235 T HN 0.145 nan 8.240 nan 0.000 0.403 236 Q N 0.966 120.768 119.800 0.004 0.000 2.454 236 Q HA 0.409 4.749 4.340 -0.000 0.000 0.247 236 Q C 1.276 177.279 176.000 0.004 0.000 1.028 236 Q CA 0.925 56.731 55.803 0.004 0.000 0.910 236 Q CB 0.220 28.962 28.738 0.006 0.000 1.276 236 Q HN 0.685 nan 8.270 nan 0.000 0.489 237 G N 2.823 111.625 108.800 0.004 0.000 2.596 237 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.295 237 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.295 237 G C 0.151 175.053 174.900 0.003 0.000 1.240 237 G CA 0.510 45.612 45.100 0.004 0.000 0.985 237 G HN 0.793 nan 8.290 nan 0.000 0.555 238 D N 0.782 121.184 120.400 0.004 0.000 2.358 238 D HA 0.557 5.197 4.640 -0.000 0.000 0.287 238 D C 0.943 177.245 176.300 0.004 0.000 1.181 238 D CA 0.505 54.507 54.000 0.004 0.000 1.103 238 D CB -0.029 40.775 40.800 0.006 0.000 1.168 238 D HN 1.309 nan 8.370 nan 0.000 0.552 239 G N -1.374 107.429 108.800 0.006 0.000 2.644 239 G HA2 0.458 4.418 3.960 -0.000 0.000 0.307 239 G HA3 0.458 4.418 3.960 -0.000 0.000 0.307 239 G C -1.416 173.493 174.900 0.015 0.000 1.250 239 G CA -0.679 44.424 45.100 0.005 0.000 0.996 239 G HN 0.376 nan 8.290 nan 0.000 0.489 240 V N 0.709 120.632 119.914 0.015 0.000 2.326 240 V HA 0.580 4.700 4.120 -0.000 0.000 0.281 240 V C 0.671 176.805 176.094 0.067 0.000 1.015 240 V CA -0.425 61.900 62.300 0.042 0.000 0.823 240 V CB 0.600 32.447 31.823 0.040 0.000 1.009 240 V HN 1.029 nan 8.190 nan 0.000 0.436 241 S N 5.545 121.302 115.700 0.095 0.000 2.580 241 S HA 0.067 4.537 4.470 -0.000 0.000 0.261 241 S C 0.875 175.632 174.600 0.261 0.000 1.366 241 S CA 0.302 58.585 58.200 0.138 0.000 0.996 241 S CB 0.465 63.730 63.200 0.109 0.000 0.902 241 S HN 0.823 nan 8.310 nan 0.000 0.566 242 F N 2.510 122.513 119.950 0.089 0.000 2.206 242 F HA 0.144 4.671 4.527 -0.000 0.000 0.298 242 F C 2.185 178.080 175.800 0.160 0.000 1.090 242 F CA 0.994 59.085 58.000 0.152 0.000 1.323 242 F CB -1.480 37.580 39.000 0.100 0.000 1.028 242 F HN 0.735 nan 8.300 nan 0.000 0.492 243 A N 1.329 124.189 122.820 0.068 0.000 1.844 243 A HA -0.299 4.021 4.320 -0.000 0.000 0.214 243 A C 2.125 179.698 177.584 -0.019 0.000 1.217 243 A CA 2.335 54.320 52.037 -0.086 0.000 0.644 243 A CB -1.532 17.454 19.000 -0.022 0.000 0.850 243 A HN 0.574 nan 8.150 nan 0.000 0.456 244 E N -1.018 119.220 120.200 0.063 0.000 2.236 244 E HA -0.311 4.039 4.350 -0.000 0.000 0.205 244 E C 1.834 178.541 176.600 0.179 0.000 1.028 244 E CA 1.733 58.193 56.400 0.100 0.000 0.827 244 E CB -0.787 28.959 29.700 0.076 0.000 0.735 244 E HN 0.698 nan 8.360 nan 0.000 0.470 245 F N 2.215 122.199 119.950 0.057 0.000 2.161 245 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 245 F C 1.911 177.748 175.800 0.061 0.000 1.089 245 F CA 1.715 59.770 58.000 0.091 0.000 1.282 245 F CB -0.002 39.103 39.000 0.176 0.000 1.010 245 F HN -0.054 nan 8.300 nan 0.000 0.485 246 T N -0.476 113.966 114.554 -0.186 0.000 3.055 246 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 246 T C 1.361 175.964 174.700 -0.162 0.000 1.111 246 T CA 0.908 62.806 62.100 -0.338 0.000 1.118 246 T CB -0.665 67.945 68.868 -0.429 0.000 0.909 246 T HN 0.542 nan 8.240 nan 0.000 0.501 247 Y N 3.826 124.036 120.300 -0.149 0.000 2.102 247 Y HA -0.198 4.352 4.550 -0.000 0.000 0.280 247 Y C -0.625 175.263 175.900 -0.019 0.000 1.178 247 Y CA 1.743 59.797 58.100 -0.076 0.000 1.146 247 Y CB -1.150 37.295 38.460 -0.025 0.000 0.968 247 Y HN 0.180 nan 8.280 nan 0.000 0.504 248 P HA -0.225 nan 4.420 nan 0.000 0.216 248 P C 1.574 178.880 177.300 0.011 0.000 1.153 248 P CA 2.200 65.368 63.100 0.113 0.000 0.858 248 P CB -0.275 31.489 31.700 0.105 0.000 0.789 249 I N -1.058 119.484 120.570 -0.047 0.000 2.142 249 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 249 I C 2.691 178.890 176.117 0.135 0.000 1.078 249 I CA 1.386 62.693 61.300 0.012 0.000 1.343 249 I CB -1.851 36.113 38.000 -0.060 0.000 1.046 249 I HN -0.067 nan 8.210 nan 0.000 0.405 250 M N 0.570 120.202 119.600 0.053 0.000 2.255 250 M HA -0.303 4.177 4.480 -0.000 0.000 0.260 250 M C 2.404 178.913 176.300 0.349 0.000 1.069 250 M CA 1.994 57.422 55.300 0.215 0.000 1.089 250 M CB -1.532 30.968 32.600 -0.167 0.000 1.269 250 M HN 0.261 nan 8.290 nan 0.000 0.434 251 Q N -0.104 119.719 119.800 0.038 0.000 2.325 251 Q HA -0.128 4.212 4.340 -0.000 0.000 0.211 251 Q C 1.815 178.008 176.000 0.320 0.000 0.988 251 Q CA 2.028 57.904 55.803 0.120 0.000 0.887 251 Q CB -0.510 28.159 28.738 -0.114 0.000 0.915 251 Q HN 0.644 nan 8.270 nan 0.000 0.440 252 G N -0.456 108.519 108.800 0.292 0.000 2.395 252 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.214 252 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.214 252 G C 1.032 176.143 174.900 0.353 0.000 1.177 252 G CA 0.432 45.716 45.100 0.307 0.000 0.794 252 G HN 0.522 nan 8.290 nan 0.000 0.532 253 W N 1.841 123.272 121.300 0.218 0.000 2.354 253 W HA -0.116 4.544 4.660 -0.000 0.000 0.315 253 W C 1.807 178.389 176.519 0.106 0.000 1.206 253 W CA 1.829 59.287 57.345 0.189 0.000 1.290 253 W CB -0.378 29.215 29.460 0.221 0.000 1.152 253 W HN 0.211 nan 8.180 nan 0.000 0.489 254 D N -0.110 120.575 120.400 0.475 0.000 2.204 254 D HA -0.291 4.349 4.640 -0.000 0.000 0.189 254 D C 1.726 177.999 176.300 -0.044 0.000 1.006 254 D CA 2.154 56.302 54.000 0.246 0.000 0.855 254 D CB -1.368 39.726 40.800 0.490 0.000 0.946 254 D HN 0.189 nan 8.370 nan 0.000 0.448 255 W N 1.049 122.309 121.300 -0.066 0.000 2.298 255 W HA -0.306 4.355 4.660 0.000 0.000 0.328 255 W C 2.212 178.642 176.519 -0.148 0.000 1.259 255 W CA 1.126 58.409 57.345 -0.103 0.000 1.251 255 W CB -1.459 28.056 29.460 0.092 0.000 1.161 255 W HN 0.059 nan 8.180 nan 0.000 0.466 256 F N 2.119 122.024 119.950 -0.075 0.000 2.045 256 F HA -0.332 4.195 4.527 0.000 0.000 0.297 256 F C 2.314 177.937 175.800 -0.295 0.000 1.114 256 F CA 2.701 60.513 58.000 -0.314 0.000 1.207 256 F CB -1.059 37.499 39.000 -0.737 0.000 0.964 256 F HN -0.098 nan 8.300 nan 0.000 0.486 257 E N 0.751 120.480 120.200 -0.784 0.000 2.045 257 E HA -0.281 4.069 4.350 -0.000 0.000 0.212 257 E C 2.455 178.709 176.600 -0.577 0.000 1.039 257 E CA 2.129 57.977 56.400 -0.921 0.000 0.860 257 E CB -1.171 27.674 29.700 -1.425 0.000 0.776 257 E HN 0.508 nan 8.360 nan 0.000 0.467 258 L N 0.007 120.932 121.223 -0.497 0.000 2.089 258 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 258 L C 2.554 179.301 176.870 -0.204 0.000 1.079 258 L CA 1.583 56.173 54.840 -0.417 0.000 0.758 258 L CB -0.473 41.265 42.059 -0.534 0.000 0.891 258 L HN 0.128 nan 8.230 nan 0.000 0.433 259 F N -1.313 118.561 119.950 -0.127 0.000 2.234 259 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 259 F C 2.385 178.165 175.800 -0.032 0.000 1.087 259 F CA 1.207 59.210 58.000 0.005 0.000 1.340 259 F CB -0.092 38.969 39.000 0.102 0.000 1.031 259 F HN 0.054 nan 8.300 nan 0.000 0.500 260 Y N 1.182 121.208 120.300 -0.457 0.000 2.201 260 Y HA 0.015 4.565 4.550 0.000 0.000 0.292 260 Y C 2.209 177.850 175.900 -0.432 0.000 1.119 260 Y CA 1.507 59.275 58.100 -0.554 0.000 1.127 260 Y CB -0.954 37.081 38.460 -0.709 0.000 1.019 260 Y HN 0.100 nan 8.280 nan 0.000 0.514 261 Q N -0.596 118.878 119.800 -0.543 0.000 2.482 261 Q HA -0.058 4.282 4.340 -0.000 0.000 0.209 261 Q C 0.726 176.520 176.000 -0.342 0.000 0.961 261 Q CA 0.762 56.242 55.803 -0.539 0.000 0.945 261 Q CB 0.339 28.821 28.738 -0.428 0.000 1.012 261 Q HN 0.551 nan 8.270 nan 0.000 0.515 262 Q N -2.285 117.333 119.800 -0.303 0.000 1.784 262 Q HA 0.096 4.436 4.340 -0.000 0.000 0.191 262 Q C 0.374 176.328 176.000 -0.077 0.000 0.694 262 Q CA 0.812 56.519 55.803 -0.161 0.000 0.794 262 Q CB 1.652 30.242 28.738 -0.246 0.000 1.209 262 Q HN 0.362 nan 8.270 nan 0.000 0.406 263 G N 1.412 110.118 108.800 -0.157 0.000 2.215 263 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.198 263 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.198 263 G C -0.176 174.818 174.900 0.156 0.000 1.047 263 G CA 0.211 45.265 45.100 -0.075 0.000 0.747 263 G HN 0.073 nan 8.290 nan 0.000 0.495 264 V N 1.016 121.034 119.914 0.172 0.000 2.368 264 V HA 0.456 4.576 4.120 -0.000 0.000 0.266 264 V C 0.786 177.249 176.094 0.614 0.000 1.045 264 V CA 0.602 63.083 62.300 0.301 0.000 0.899 264 V CB 1.066 32.915 31.823 0.043 0.000 1.006 264 V HN 0.632 nan 8.190 nan 0.000 0.470 265 Q N 4.804 124.969 119.800 0.609 0.000 2.324 265 Q HA 0.635 4.975 4.340 -0.000 0.000 0.373 265 Q C -0.411 175.987 176.000 0.663 0.000 0.909 265 Q CA -0.165 56.026 55.803 0.647 0.000 1.135 265 Q CB 1.161 30.166 28.738 0.445 0.000 1.313 265 Q HN 0.703 nan 8.270 nan 0.000 0.417 266 M N 0.883 120.897 119.600 0.691 0.000 2.323 266 M HA 0.257 4.737 4.480 -0.000 0.000 0.278 266 M C -2.352 173.859 176.300 -0.150 0.000 1.069 266 M CA -0.189 55.384 55.300 0.456 0.000 0.950 266 M CB 2.479 35.305 32.600 0.376 0.000 1.879 266 M HN 0.319 nan 8.290 nan 0.000 0.491 267 Q N 3.925 123.374 119.800 -0.585 0.000 2.257 267 Q HA 0.801 5.141 4.340 -0.000 0.000 0.262 267 Q C -1.748 173.894 176.000 -0.596 0.000 0.997 267 Q CA -0.597 54.662 55.803 -0.906 0.000 0.873 267 Q CB 1.977 29.905 28.738 -1.351 0.000 1.312 267 Q HN 0.800 nan 8.270 nan 0.000 0.450 268 I N 3.110 123.260 120.570 -0.700 0.000 2.476 268 I HA 0.546 4.716 4.170 -0.000 0.000 0.281 268 I C -0.062 175.720 176.117 -0.558 0.000 1.040 268 I CA -0.663 60.181 61.300 -0.760 0.000 1.094 268 I CB 1.725 39.276 38.000 -0.748 0.000 1.219 268 I HN 0.700 nan 8.210 nan 0.000 0.450 269 G N 3.332 111.886 108.800 -0.410 0.000 2.788 269 G HA2 0.673 4.633 3.960 -0.000 0.000 0.293 269 G HA3 0.673 4.633 3.960 -0.000 0.000 0.293 269 G C -0.158 174.669 174.900 -0.122 0.000 1.305 269 G CA -0.854 44.106 45.100 -0.234 0.000 1.005 269 G HN 0.624 nan 8.290 nan 0.000 0.496 270 G N -0.779 107.999 108.800 -0.037 0.000 2.630 270 G HA2 0.342 4.302 3.960 -0.000 0.000 0.236 270 G HA3 0.342 4.302 3.960 -0.000 0.000 0.236 270 G C 1.467 176.392 174.900 0.042 0.000 1.248 270 G CA 0.794 45.905 45.100 0.019 0.000 0.844 270 G HN 1.342 nan 8.290 nan 0.000 0.588 271 S N -0.134 115.595 115.700 0.049 0.000 2.402 271 S HA -0.223 4.247 4.470 -0.000 0.000 0.233 271 S C 1.678 176.332 174.600 0.090 0.000 1.030 271 S CA 1.961 60.199 58.200 0.062 0.000 1.003 271 S CB -0.219 63.005 63.200 0.039 0.000 0.813 271 S HN 0.808 nan 8.310 nan 0.000 0.477 272 D N 0.469 120.921 120.400 0.087 0.000 2.216 272 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 272 D C 1.664 178.049 176.300 0.142 0.000 0.960 272 D CA 0.476 54.538 54.000 0.103 0.000 0.861 272 D CB -0.717 40.125 40.800 0.071 0.000 0.985 272 D HN 0.289 nan 8.370 nan 0.000 0.493 273 Q N -0.154 119.717 119.800 0.118 0.000 2.585 273 Q HA -0.171 4.169 4.340 -0.000 0.000 0.219 273 Q C 1.307 177.389 176.000 0.136 0.000 0.984 273 Q CA 0.229 56.103 55.803 0.119 0.000 0.915 273 Q CB -0.615 28.170 28.738 0.078 0.000 0.967 273 Q HN 0.523 nan 8.270 nan 0.000 0.530 274 Y N 0.734 121.069 120.300 0.059 0.000 2.014 274 Y HA -0.310 4.240 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 2.219 60.364 58.100 0.074 0.000 1.114 274 Y CB -0.808 37.696 38.460 0.072 0.000 0.961 274 Y HN 0.175 nan 8.280 nan 0.000 0.489 275 G N 0.004 108.893 108.800 0.149 0.000 2.599 275 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.219 275 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.219 275 G C 1.516 176.423 174.900 0.010 0.000 1.193 275 G CA 1.490 46.629 45.100 0.064 0.000 0.778 275 G HN 0.637 nan 8.290 nan 0.000 0.589 276 N N 0.331 119.082 118.700 0.085 0.000 2.094 276 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 276 N C 2.247 177.810 175.510 0.088 0.000 1.023 276 N CA 1.152 54.276 53.050 0.124 0.000 0.857 276 N CB -0.260 38.348 38.487 0.202 0.000 1.013 276 N HN 0.377 nan 8.380 nan 0.000 0.426 277 I N 1.000 121.582 120.570 0.021 0.000 2.335 277 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 277 I C 1.797 177.931 176.117 0.027 0.000 1.129 277 I CA 0.724 62.061 61.300 0.062 0.000 1.402 277 I CB -0.255 37.716 38.000 -0.049 0.000 1.069 277 I HN 0.160 nan 8.210 nan 0.000 0.424 278 I N 0.318 120.809 120.570 -0.133 0.000 2.260 278 I HA -0.135 4.035 4.170 -0.000 0.000 0.237 278 I C 2.670 178.764 176.117 -0.039 0.000 1.075 278 I CA 1.210 62.437 61.300 -0.121 0.000 1.376 278 I CB -1.481 36.417 38.000 -0.169 0.000 1.107 278 I HN 0.088 nan 8.210 nan 0.000 0.420 279 S N 1.354 117.053 115.700 -0.002 0.000 2.407 279 S HA -0.161 4.309 4.470 -0.000 0.000 0.235 279 S C 2.074 176.688 174.600 0.024 0.000 1.036 279 S CA 1.421 59.634 58.200 0.022 0.000 1.013 279 S CB -0.843 62.389 63.200 0.054 0.000 0.820 279 S HN 0.658 nan 8.310 nan 0.000 0.476 280 G N 1.637 110.479 108.800 0.070 0.000 2.464 280 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 280 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 280 G C 1.289 176.162 174.900 -0.045 0.000 1.218 280 G CA 0.562 45.735 45.100 0.122 0.000 0.794 280 G HN 0.435 nan 8.290 nan 0.000 0.542 281 L N 0.446 121.580 121.223 -0.148 0.000 2.103 281 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 281 L C 2.932 179.614 176.870 -0.314 0.000 1.080 281 L CA 1.685 56.273 54.840 -0.420 0.000 0.764 281 L CB -0.385 41.482 42.059 -0.320 0.000 0.890 281 L HN 0.387 nan 8.230 nan 0.000 0.435 282 E N -0.733 119.363 120.200 -0.174 0.000 2.023 282 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 282 E C 2.170 178.672 176.600 -0.164 0.000 1.003 282 E CA 1.798 58.115 56.400 -0.138 0.000 0.809 282 E CB -0.232 29.426 29.700 -0.069 0.000 0.755 282 E HN 0.277 nan 8.360 nan 0.000 0.449 283 V N 1.032 120.871 119.914 -0.125 0.000 2.380 283 V HA -0.266 3.854 4.120 -0.000 0.000 0.251 283 V C 2.349 178.268 176.094 -0.293 0.000 1.063 283 V CA 1.375 63.601 62.300 -0.124 0.000 1.055 283 V CB -0.543 31.282 31.823 0.003 0.000 0.657 283 V HN 0.147 nan 8.190 nan 0.000 0.455 284 V N -0.014 119.680 119.914 -0.366 0.000 2.252 284 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 284 V C 2.520 178.293 176.094 -0.535 0.000 1.056 284 V CA 2.550 64.527 62.300 -0.538 0.000 1.022 284 V CB -0.645 30.720 31.823 -0.763 0.000 0.641 284 V HN 0.570 nan 8.190 nan 0.000 0.445 285 K N 1.151 121.298 120.400 -0.421 0.000 1.965 285 K HA -0.143 4.177 4.320 -0.000 0.000 0.218 285 K C 2.125 178.542 176.600 -0.305 0.000 1.048 285 K CA 2.216 58.304 56.287 -0.333 0.000 0.960 285 K CB -1.293 31.061 32.500 -0.243 0.000 0.732 285 K HN 0.323 nan 8.250 nan 0.000 0.444 286 A N 0.587 123.258 122.820 -0.248 0.000 2.009 286 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 286 A C 2.342 179.753 177.584 -0.289 0.000 1.175 286 A CA 2.804 54.719 52.037 -0.203 0.000 0.651 286 A CB -1.249 17.669 19.000 -0.137 0.000 0.815 286 A HN 0.557 nan 8.150 nan 0.000 0.459 287 A N -0.084 122.441 122.820 -0.492 0.000 1.832 287 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 287 A C 2.128 179.350 177.584 -0.604 0.000 1.200 287 A CA 1.485 53.023 52.037 -0.831 0.000 0.610 287 A CB -0.555 17.375 19.000 -1.784 0.000 0.842 287 A HN 0.569 nan 8.150 nan 0.000 0.444 288 R N -0.239 119.982 120.500 -0.464 0.000 2.261 288 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 288 R C 1.829 178.056 176.300 -0.122 0.000 1.141 288 R CA 1.298 57.297 56.100 -0.168 0.000 1.001 288 R CB -0.181 30.049 30.300 -0.116 0.000 0.866 288 R HN 0.576 nan 8.270 nan 0.000 0.468 289 E N 0.202 120.303 120.200 -0.164 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 1.322 57.657 56.400 -0.108 0.000 0.812 289 E CB -0.089 29.547 29.700 -0.107 0.000 0.777 289 E HN 0.304 nan 8.360 nan 0.000 0.455 290 S N 1.408 117.036 115.700 -0.120 0.000 2.407 290 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 290 S C 1.085 175.649 174.600 -0.060 0.000 1.036 290 S CA 0.832 58.983 58.200 -0.083 0.000 1.013 290 S CB -0.451 62.697 63.200 -0.087 0.000 0.820 290 S HN 0.089 nan 8.310 nan 0.000 0.476 291 E N 4.405 124.563 120.200 -0.071 0.000 3.250 291 E HA -0.035 4.315 4.350 -0.000 0.000 0.244 291 E C -0.814 175.773 176.600 -0.021 0.000 0.931 291 E CA -0.813 55.564 56.400 -0.038 0.000 0.954 291 E CB 0.412 30.095 29.700 -0.029 0.000 0.894 291 E HN 0.314 nan 8.360 nan 0.000 0.560 292 P HA -0.158 nan 4.420 nan 0.000 0.210 292 P C 0.084 177.383 177.300 -0.002 0.000 1.191 292 P CA 0.771 63.868 63.100 -0.005 0.000 0.917 292 P CB -0.089 31.613 31.700 0.003 0.000 0.778 293 D N 0.909 121.310 120.400 0.002 0.000 2.412 293 D HA -0.003 4.637 4.640 -0.000 0.000 0.257 293 D C -1.048 175.263 176.300 0.018 0.000 1.217 293 D CA -1.713 52.293 54.000 0.009 0.000 0.897 293 D CB 0.788 41.594 40.800 0.009 0.000 1.132 293 D HN 0.085 nan 8.370 nan 0.000 0.493 294 P HA -0.236 nan 4.420 nan 0.000 0.211 294 P C 1.219 178.555 177.300 0.060 0.000 1.179 294 P CA 1.379 64.497 63.100 0.029 0.000 0.910 294 P CB 0.227 31.939 31.700 0.020 0.000 0.785 295 Q N -0.286 119.553 119.800 0.066 0.000 2.207 295 Q HA -0.242 4.098 4.340 -0.000 0.000 0.215 295 Q C 2.286 178.401 176.000 0.191 0.000 1.006 295 Q CA 1.713 57.584 55.803 0.113 0.000 0.903 295 Q CB -0.474 28.312 28.738 0.079 0.000 0.947 295 Q HN 0.462 nan 8.270 nan 0.000 0.414 296 E N 0.427 120.700 120.200 0.120 0.000 2.046 296 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 296 E C 2.034 178.754 176.600 0.200 0.000 0.982 296 E CA 0.601 57.079 56.400 0.130 0.000 0.800 296 E CB -0.120 29.599 29.700 0.032 0.000 0.756 296 E HN 0.311 nan 8.360 nan 0.000 0.449 297 R N 1.079 121.647 120.500 0.113 0.000 2.133 297 R HA -0.161 4.179 4.340 -0.000 0.000 0.247 297 R C 2.348 178.710 176.300 0.102 0.000 1.151 297 R CA 1.258 57.408 56.100 0.084 0.000 0.971 297 R CB -0.221 30.101 30.300 0.037 0.000 0.866 297 R HN 0.022 nan 8.270 nan 0.000 0.447 298 K N -0.612 119.861 120.400 0.122 0.000 2.366 298 K HA -0.219 4.101 4.320 -0.000 0.000 0.202 298 K C 0.744 177.186 176.600 -0.263 0.000 1.045 298 K CA 1.502 57.761 56.287 -0.046 0.000 0.934 298 K CB 0.122 32.593 32.500 -0.049 0.000 0.746 298 K HN 0.262 nan 8.250 nan 0.000 0.470 299 Y N -1.921 118.395 120.300 0.026 0.000 2.697 299 Y HA -0.055 4.496 4.550 0.000 0.000 0.268 299 Y C 1.946 177.884 175.900 0.063 0.000 1.092 299 Y CA 0.125 58.245 58.100 0.033 0.000 1.304 299 Y CB -0.454 38.015 38.460 0.015 0.000 1.446 299 Y HN -0.152 nan 8.280 nan 0.000 0.491 300 V N -1.347 118.719 119.914 0.252 0.000 2.720 300 V HA -0.083 4.037 4.120 -0.000 0.000 0.256 300 V C 0.497 176.733 176.094 0.237 0.000 1.082 300 V CA 1.249 63.686 62.300 0.229 0.000 1.101 300 V CB -1.467 30.437 31.823 0.135 0.000 0.693 300 V HN 0.257 nan 8.190 nan 0.000 0.479 301 T N 2.632 117.265 114.554 0.132 0.000 2.845 301 T HA 0.411 4.761 4.350 -0.000 0.000 0.288 301 T C -2.553 172.183 174.700 0.059 0.000 0.980 301 T CA -0.925 61.213 62.100 0.063 0.000 1.071 301 T CB 1.270 70.149 68.868 0.018 0.000 0.941 301 T HN 0.261 nan 8.240 nan 0.000 0.487 302 P HA 0.124 nan 4.420 nan 0.000 0.263 302 P C 0.388 177.690 177.300 0.004 0.000 1.276 302 P CA 0.114 63.218 63.100 0.007 0.000 0.986 302 P CB 0.293 31.963 31.700 -0.050 0.000 1.105 303 K N 0.822 121.231 120.400 0.015 0.000 2.049 303 K HA 0.026 4.346 4.320 -0.000 0.000 0.214 303 K C 1.291 177.891 176.600 -0.000 0.000 1.026 303 K CA 0.800 57.085 56.287 -0.004 0.000 0.954 303 K CB -0.672 31.817 32.500 -0.019 0.000 0.838 303 K HN 0.311 nan 8.250 nan 0.000 0.450 304 T N -0.726 113.833 114.554 0.009 0.000 2.771 304 T HA 0.250 4.600 4.350 -0.000 0.000 0.290 304 T C 1.085 175.796 174.700 0.019 0.000 1.005 304 T CA 0.137 62.242 62.100 0.008 0.000 0.944 304 T CB 1.136 70.010 68.868 0.011 0.000 1.147 304 T HN 0.301 nan 8.240 nan 0.000 0.534 305 A N 0.684 123.508 122.820 0.007 0.000 2.119 305 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 305 A C 2.114 179.735 177.584 0.062 0.000 1.153 305 A CA 0.907 52.948 52.037 0.007 0.000 0.692 305 A CB -0.725 18.236 19.000 -0.066 0.000 0.799 305 A HN 0.689 nan 8.150 nan 0.000 0.458 306 L N -0.103 121.160 121.223 0.067 0.000 2.093 306 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 306 L C 0.543 177.503 176.870 0.151 0.000 1.085 306 L CA 1.238 56.148 54.840 0.116 0.000 0.755 306 L CB -0.439 41.677 42.059 0.095 0.000 0.904 306 L HN 0.173 nan 8.230 nan 0.000 0.435 307 D N 0.555 121.027 120.400 0.121 0.000 2.652 307 D HA 0.008 4.648 4.640 -0.000 0.000 0.247 307 D C 0.183 176.529 176.300 0.077 0.000 1.232 307 D CA 0.292 54.372 54.000 0.133 0.000 0.863 307 D CB -0.300 40.574 40.800 0.123 0.000 1.023 307 D HN 0.235 nan 8.370 nan 0.000 0.474 308 E N 0.494 120.757 120.200 0.104 0.000 2.146 308 E HA 0.166 4.516 4.350 -0.000 0.000 0.282 308 E C -0.119 176.461 176.600 -0.033 0.000 0.989 308 E CA -0.501 55.919 56.400 0.032 0.000 0.799 308 E CB 1.343 31.147 29.700 0.173 0.000 1.088 308 E HN 0.241 nan 8.360 nan 0.000 0.397 309 C N 3.075 122.295 119.300 -0.134 0.000 2.281 309 C HA 0.619 5.079 4.460 -0.000 0.000 0.336 309 C C 0.812 175.780 174.990 -0.036 0.000 1.217 309 C CA -1.194 57.783 59.018 -0.068 0.000 1.730 309 C CB -1.254 26.306 27.740 -0.301 0.000 2.338 309 C HN 0.410 nan 8.230 nan 0.000 0.521 310 V N 1.604 121.584 119.914 0.110 0.000 2.850 310 V HA 1.059 5.179 4.120 -0.000 0.000 0.315 310 V C 0.222 176.546 176.094 0.385 0.000 1.064 310 V CA -0.114 62.259 62.300 0.121 0.000 0.979 310 V CB 1.414 33.209 31.823 -0.046 0.000 1.039 310 V HN 1.257 nan 8.190 nan 0.000 0.452 311 G N 1.959 110.977 108.800 0.364 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 -1.423 173.694 174.900 0.362 0.000 1.391 311 G CA -0.639 44.673 45.100 0.353 0.000 0.990 311 G HN 1.400 nan 8.290 nan 0.000 0.501 312 F N -0.068 119.993 119.950 0.184 0.000 2.603 312 F HA 0.884 5.411 4.527 -0.000 0.000 0.317 312 F C -0.312 175.568 175.800 0.134 0.000 1.066 312 F CA -1.225 56.913 58.000 0.231 0.000 0.941 312 F CB 2.359 41.584 39.000 0.376 0.000 1.291 312 F HN 0.555 nan 8.300 nan 0.000 0.472 313 T N 2.476 117.201 114.554 0.285 0.000 2.807 313 T HA 0.619 4.969 4.350 -0.000 0.000 0.279 313 T C -0.336 174.457 174.700 0.156 0.000 0.993 313 T CA -0.495 61.670 62.100 0.109 0.000 0.970 313 T CB 0.905 69.896 68.868 0.206 0.000 0.950 313 T HN 1.060 nan 8.240 nan 0.000 0.441 314 V N 3.514 123.450 119.914 0.037 0.000 3.376 314 V HA 0.549 4.669 4.120 -0.000 0.000 0.303 314 V C -2.044 174.076 176.094 0.043 0.000 1.100 314 V CA -1.615 60.722 62.300 0.061 0.000 1.126 314 V CB -0.352 31.476 31.823 0.009 0.000 1.085 314 V HN 0.819 nan 8.190 nan 0.000 0.480 315 P HA 0.232 nan 4.420 nan 0.000 0.275 315 P C -0.728 176.574 177.300 0.003 0.000 1.266 315 P CA -0.537 62.560 63.100 -0.005 0.000 0.793 315 P CB 0.840 32.515 31.700 -0.041 0.000 1.074 316 L N 1.221 122.443 121.223 -0.003 0.000 2.282 316 L HA 0.325 4.665 4.340 -0.000 0.000 0.287 316 L C -0.827 176.041 176.870 -0.003 0.000 1.075 316 L CA -0.346 54.499 54.840 0.009 0.000 0.839 316 L CB -0.865 41.196 42.059 0.003 0.000 1.219 316 L HN 0.097 nan 8.230 nan 0.000 0.434 317 L N 5.400 126.637 121.223 0.023 0.000 2.257 317 L HA 0.637 4.977 4.340 -0.000 0.000 0.290 317 L C 0.135 177.024 176.870 0.031 0.000 1.044 317 L CA 0.278 55.115 54.840 -0.005 0.000 0.810 317 L CB 1.379 43.464 42.059 0.043 0.000 1.193 317 L HN 0.831 nan 8.230 nan 0.000 0.425 318 T N -0.460 114.059 114.554 -0.060 0.000 2.900 318 T HA 0.618 4.968 4.350 -0.000 0.000 0.295 318 T C -0.523 174.087 174.700 -0.149 0.000 1.044 318 T CA -1.072 61.029 62.100 0.001 0.000 0.995 318 T CB 1.463 70.337 68.868 0.009 0.000 1.072 318 T HN 0.480 nan 8.240 nan 0.000 0.473 319 D N 1.224 121.621 120.400 -0.005 0.000 2.363 319 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 319 D C 0.906 177.149 176.300 -0.095 0.000 1.236 319 D CA -0.596 53.341 54.000 -0.105 0.000 0.927 319 D CB 0.029 40.977 40.800 0.247 0.000 1.150 319 D HN 0.397 nan 8.370 nan 0.000 0.458 320 S N -0.914 114.718 115.700 -0.114 0.000 2.641 320 S HA -0.110 4.360 4.470 -0.000 0.000 0.239 320 S C 1.281 175.859 174.600 -0.037 0.000 0.972 320 S CA 0.622 58.772 58.200 -0.084 0.000 0.954 320 S CB -0.517 62.632 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 0.358 4.828 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 0.384 58.590 58.200 0.010 0.000 0.949 321 S CB -0.680 62.541 63.200 0.035 0.000 0.786 321 S HN 0.659 nan 8.310 nan 0.000 0.478 322 G N 0.892 109.690 108.800 -0.004 0.000 2.244 322 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.274 322 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.274 322 G C 0.139 175.045 174.900 0.010 0.000 1.002 322 G CA 0.429 45.527 45.100 -0.004 0.000 0.740 322 G HN 1.243 nan 8.290 nan 0.000 0.516 323 A N -0.255 122.582 122.820 0.028 0.000 2.371 323 A HA 0.726 5.046 4.320 -0.000 0.000 0.311 323 A C 0.374 178.005 177.584 0.078 0.000 1.068 323 A CA -0.703 51.358 52.037 0.040 0.000 0.744 323 A CB 1.164 20.186 19.000 0.036 0.000 1.239 323 A HN 0.225 nan 8.150 nan 0.000 0.435 324 K N 1.276 121.718 120.400 0.069 0.000 2.600 324 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 324 K C 0.176 176.902 176.600 0.210 0.000 0.971 324 K CA 0.529 56.881 56.287 0.109 0.000 1.053 324 K CB -0.061 32.482 32.500 0.071 0.000 0.856 324 K HN 0.731 nan 8.250 nan 0.000 0.495 325 F N 0.900 120.867 119.950 0.028 0.000 2.733 325 F HA -0.023 4.504 4.527 -0.000 0.000 0.301 325 F C 1.304 177.184 175.800 0.133 0.000 1.240 325 F CA 0.169 58.195 58.000 0.043 0.000 1.432 325 F CB 0.209 39.173 39.000 -0.060 0.000 1.089 325 F HN 0.682 nan 8.300 nan 0.000 0.533 326 G N -0.686 108.191 108.800 0.128 0.000 2.799 326 G HA2 0.032 3.992 3.960 -0.000 0.000 0.201 326 G HA3 0.032 3.992 3.960 -0.000 0.000 0.201 326 G C 0.764 175.640 174.900 -0.040 0.000 1.142 326 G CA -0.261 44.898 45.100 0.099 0.000 0.910 326 G HN 0.076 nan 8.290 nan 0.000 0.710 327 K N 1.454 121.827 120.400 -0.046 0.000 2.814 327 K HA 0.391 4.711 4.320 -0.000 0.000 0.213 327 K C 0.019 176.582 176.600 -0.060 0.000 1.113 327 K CA -0.075 56.155 56.287 -0.096 0.000 1.145 327 K CB 1.149 33.600 32.500 -0.081 0.000 0.948 327 K HN 0.121 nan 8.250 nan 0.000 0.464 328 S N -0.051 115.599 115.700 -0.082 0.000 2.745 328 S HA 0.750 5.220 4.470 -0.000 0.000 0.292 328 S C 0.175 174.691 174.600 -0.140 0.000 1.127 328 S CA 0.332 58.476 58.200 -0.094 0.000 1.007 328 S CB 1.120 64.266 63.200 -0.089 0.000 1.165 328 S HN 0.543 nan 8.310 nan 0.000 0.544 329 A N 0.314 123.052 122.820 -0.136 0.000 5.654 329 A HA -0.093 4.227 4.320 -0.000 0.000 0.254 329 A C 1.319 178.881 177.584 -0.037 0.000 2.251 329 A CA 0.645 52.618 52.037 -0.107 0.000 0.710 329 A CB -1.921 16.998 19.000 -0.135 0.000 1.019 329 A HN 1.513 nan 8.150 nan 0.000 0.342 330 G N -0.871 107.927 108.800 -0.003 0.000 2.572 330 G HA2 0.244 4.204 3.960 -0.000 0.000 0.216 330 G HA3 0.244 4.204 3.960 -0.000 0.000 0.216 330 G C 0.788 175.712 174.900 0.040 0.000 1.133 330 G CA 2.139 47.251 45.100 0.020 0.000 0.791 330 G HN 1.667 nan 8.290 nan 0.000 0.538 331 N N -1.674 117.061 118.700 0.059 0.000 2.626 331 N HA 0.300 5.040 4.740 -0.000 0.000 0.339 331 N C 0.200 175.735 175.510 0.041 0.000 0.610 331 N CA 0.984 54.085 53.050 0.085 0.000 1.434 331 N CB -0.248 38.346 38.487 0.179 0.000 1.551 331 N HN 0.307 nan 8.380 nan 0.000 1.653 332 A N -0.344 122.541 122.820 0.108 0.000 2.525 332 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 332 A C -1.763 175.774 177.584 -0.077 0.000 1.268 332 A CA -0.365 51.587 52.037 -0.141 0.000 0.712 332 A CB 0.773 19.384 19.000 -0.649 0.000 1.320 332 A HN 0.134 nan 8.150 nan 0.000 0.456 333 I N 0.339 120.768 120.570 -0.236 0.000 2.521 333 I HA 0.427 4.597 4.170 -0.000 0.000 0.277 333 I C -1.077 175.099 176.117 0.098 0.000 1.054 333 I CA 0.154 61.456 61.300 0.004 0.000 1.117 333 I CB 0.772 38.701 38.000 -0.118 0.000 1.217 333 I HN 0.637 nan 8.210 nan 0.000 0.469 334 W N 4.543 125.924 121.300 0.135 0.000 2.380 334 W HA 0.626 5.286 4.660 0.000 0.000 0.441 334 W C 1.043 177.595 176.519 0.054 0.000 1.762 334 W CA -0.692 56.727 57.345 0.123 0.000 1.905 334 W CB 0.031 29.547 29.460 0.093 0.000 1.624 334 W HN 0.188 nan 8.180 nan 0.000 0.717 335 L N -0.205 121.175 121.223 0.262 0.000 2.388 335 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 335 L C 0.648 177.568 176.870 0.083 0.000 1.061 335 L CA 0.122 54.961 54.840 -0.001 0.000 0.834 335 L CB -0.605 41.404 42.059 -0.082 0.000 1.029 335 L HN 0.301 nan 8.230 nan 0.000 0.473 336 D N 2.746 123.220 120.400 0.124 0.000 2.660 336 D HA -0.072 4.568 4.640 -0.000 0.000 0.253 336 D C -1.337 175.044 176.300 0.135 0.000 1.256 336 D CA -1.068 52.982 54.000 0.084 0.000 0.914 336 D CB 1.006 41.821 40.800 0.025 0.000 1.137 336 D HN 0.056 nan 8.370 nan 0.000 0.542 337 P HA -0.223 nan 4.420 nan 0.000 0.215 337 P C 0.744 178.197 177.300 0.255 0.000 1.157 337 P CA 1.188 64.431 63.100 0.239 0.000 0.874 337 P CB -0.148 31.743 31.700 0.319 0.000 0.790 338 Y N -0.264 120.037 120.300 0.002 0.000 2.550 338 Y HA 0.157 4.707 4.550 -0.000 0.000 0.351 338 Y C 2.232 178.096 175.900 -0.059 0.000 1.160 338 Y CA 0.410 58.498 58.100 -0.019 0.000 1.337 338 Y CB -0.776 37.674 38.460 -0.017 0.000 1.196 338 Y HN 0.190 nan 8.280 nan 0.000 0.498 339 Q N -1.223 118.610 119.800 0.054 0.000 1.921 339 Q HA 0.162 4.502 4.340 -0.000 0.000 0.192 339 Q C -0.617 175.361 176.000 -0.037 0.000 0.755 339 Q CA 0.228 55.978 55.803 -0.088 0.000 0.904 339 Q CB 1.069 29.648 28.738 -0.264 0.000 1.222 339 Q HN 0.134 nan 8.270 nan 0.000 0.417 340 T N 0.159 114.751 114.554 0.064 0.000 3.706 340 T HA 0.092 4.442 4.350 -0.000 0.000 0.292 340 T C -1.072 173.710 174.700 0.137 0.000 0.693 340 T CA -0.209 61.975 62.100 0.140 0.000 1.126 340 T CB 1.132 70.153 68.868 0.255 0.000 1.043 340 T HN 0.142 nan 8.240 nan 0.000 0.501 341 S N 1.962 117.727 115.700 0.109 0.000 2.711 341 S HA -0.028 4.442 4.470 -0.000 0.000 0.320 341 S C 2.139 176.836 174.600 0.161 0.000 1.240 341 S CA 0.468 58.735 58.200 0.111 0.000 1.034 341 S CB 0.216 63.500 63.200 0.141 0.000 0.741 341 S HN 0.692 nan 8.310 nan 0.000 0.496 342 V N 4.879 124.840 119.914 0.078 0.000 2.282 342 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 342 V C 1.757 177.995 176.094 0.239 0.000 1.057 342 V CA 2.387 64.705 62.300 0.029 0.000 1.032 342 V CB -1.669 30.110 31.823 -0.073 0.000 0.645 342 V HN 0.892 nan 8.190 nan 0.000 0.447 343 F N 2.531 122.558 119.950 0.129 0.000 2.069 343 F HA -0.180 4.347 4.527 0.000 0.000 0.298 343 F C 2.129 178.102 175.800 0.289 0.000 1.113 343 F CA 2.440 60.563 58.000 0.205 0.000 1.214 343 F CB -0.579 38.467 39.000 0.076 0.000 0.978 343 F HN 0.183 nan 8.300 nan 0.000 0.474 344 D N -0.108 120.489 120.400 0.328 0.000 2.104 344 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 344 D C 2.021 178.446 176.300 0.208 0.000 0.994 344 D CA 1.553 55.690 54.000 0.229 0.000 0.830 344 D CB -0.850 40.080 40.800 0.217 0.000 0.959 344 D HN 0.330 nan 8.370 nan 0.000 0.452 345 F N 0.848 120.883 119.950 0.142 0.000 2.010 345 F HA -0.295 4.232 4.527 -0.000 0.000 0.296 345 F C 2.274 178.244 175.800 0.283 0.000 1.146 345 F CA 1.269 59.401 58.000 0.221 0.000 1.181 345 F CB -1.050 38.073 39.000 0.204 0.000 0.965 345 F HN -0.044 nan 8.300 nan 0.000 0.480 346 Y N 1.334 121.657 120.300 0.038 0.000 2.073 346 Y HA -0.340 4.210 4.550 -0.000 0.000 0.270 346 Y C 2.468 178.239 175.900 -0.215 0.000 1.226 346 Y CA 1.843 59.855 58.100 -0.146 0.000 1.117 346 Y CB -1.278 37.112 38.460 -0.116 0.000 0.939 346 Y HN 0.198 nan 8.280 nan 0.000 0.504 347 G N -1.294 107.360 108.800 -0.244 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 1.021 45.891 45.100 -0.384 0.000 0.780 347 G HN 0.696 nan 8.290 nan 0.000 0.565 348 Y N -0.123 120.007 120.300 -0.284 0.000 2.321 348 Y HA -0.313 4.237 4.550 -0.000 0.000 0.281 348 Y C 2.134 177.663 175.900 -0.618 0.000 1.200 348 Y CA 1.347 59.193 58.100 -0.423 0.000 1.269 348 Y CB -0.055 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 -2.752 116.937 119.950 -0.436 0.000 2.390 349 F HA -0.040 4.487 4.527 -0.000 0.000 0.281 349 F C 2.091 177.590 175.800 -0.503 0.000 1.016 349 F CA 0.755 58.459 58.000 -0.493 0.000 1.286 349 F CB -1.275 37.411 39.000 -0.524 0.000 1.134 349 F HN -0.297 nan 8.300 nan 0.000 0.597 350 V N 1.194 120.794 119.914 -0.524 0.000 2.495 350 V HA -0.260 3.860 4.120 -0.000 0.000 0.260 350 V C 0.551 176.390 176.094 -0.425 0.000 1.097 350 V CA 1.771 63.664 62.300 -0.677 0.000 1.105 350 V CB -0.454 30.647 31.823 -1.203 0.000 0.678 350 V HN 0.169 nan 8.190 nan 0.000 0.469 351 R N 0.950 121.243 120.500 -0.344 0.000 2.310 351 R HA 0.658 4.998 4.340 -0.000 0.000 0.316 351 R C -0.523 175.672 176.300 -0.176 0.000 1.004 351 R CA -0.418 55.556 56.100 -0.210 0.000 0.900 351 R CB 1.167 31.374 30.300 -0.156 0.000 1.152 351 R HN 0.202 nan 8.270 nan 0.000 0.513 352 R N 0.661 121.062 120.500 -0.165 0.000 2.690 352 R HA 0.212 4.552 4.340 -0.000 0.000 0.269 352 R C -0.850 175.365 176.300 -0.140 0.000 1.037 352 R CA -0.867 55.129 56.100 -0.174 0.000 0.877 352 R CB 2.086 32.231 30.300 -0.258 0.000 1.255 352 R HN 0.523 nan 8.270 nan 0.000 0.467 353 S N 1.771 117.389 115.700 -0.138 0.000 2.931 353 S HA -0.096 4.374 4.470 -0.000 0.000 0.342 353 S C 0.883 175.436 174.600 -0.078 0.000 1.220 353 S CA 0.269 58.408 58.200 -0.102 0.000 1.045 353 S CB 0.039 63.166 63.200 -0.121 0.000 0.758 353 S HN 0.398 nan 8.310 nan 0.000 0.508 354 D N 2.678 123.071 120.400 -0.011 0.000 2.311 354 D HA -0.171 4.469 4.640 -0.000 0.000 0.212 354 D C 1.880 178.216 176.300 0.059 0.000 0.972 354 D CA 1.413 55.470 54.000 0.095 0.000 0.887 354 D CB 0.127 41.005 40.800 0.130 0.000 0.915 354 D HN 0.800 nan 8.370 nan 0.000 0.497 355 Q N 0.665 120.456 119.800 -0.016 0.000 2.134 355 Q HA 0.043 4.383 4.340 -0.000 0.000 0.195 355 Q C 1.799 177.748 176.000 -0.085 0.000 0.958 355 Q CA 0.665 56.446 55.803 -0.037 0.000 0.840 355 Q CB -0.687 28.024 28.738 -0.045 0.000 0.918 355 Q HN 0.122 nan 8.270 nan 0.000 0.467 356 E N 0.696 120.822 120.200 -0.123 0.000 2.171 356 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 356 E C 1.931 178.425 176.600 -0.176 0.000 0.997 356 E CA 1.268 57.565 56.400 -0.173 0.000 0.810 356 E CB -0.248 29.311 29.700 -0.235 0.000 0.738 356 E HN 0.263 nan 8.360 nan 0.000 0.467 357 V N 1.491 121.296 119.914 -0.182 0.000 2.252 357 V HA -0.411 3.709 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 2.749 64.928 62.300 -0.203 0.000 1.050 357 V CB -0.337 31.294 31.823 -0.320 0.000 0.654 357 V HN 0.343 nan 8.190 nan 0.000 0.448 358 E N 1.645 121.775 120.200 -0.116 0.000 1.927 358 E HA -0.304 4.046 4.350 -0.000 0.000 0.221 358 E C 1.923 178.469 176.600 -0.090 0.000 0.965 358 E CA 2.318 58.667 56.400 -0.084 0.000 0.881 358 E CB -0.805 28.854 29.700 -0.068 0.000 0.810 358 E HN 0.843 nan 8.360 nan 0.000 0.569 359 N N 0.837 119.476 118.700 -0.102 0.000 2.396 359 N HA -0.233 4.507 4.740 -0.000 0.000 0.191 359 N C 1.988 177.437 175.510 -0.102 0.000 1.015 359 N CA 1.564 54.542 53.050 -0.119 0.000 0.893 359 N CB -0.587 37.821 38.487 -0.131 0.000 0.956 359 N HN 0.374 nan 8.380 nan 0.000 0.445 360 L N -0.271 120.896 121.223 -0.093 0.000 2.313 360 L HA 0.116 4.456 4.340 -0.000 0.000 0.214 360 L C 2.401 179.302 176.870 0.052 0.000 1.119 360 L CA 0.269 55.084 54.840 -0.042 0.000 0.809 360 L CB -0.107 41.850 42.059 -0.170 0.000 0.933 360 L HN 0.110 nan 8.230 nan 0.000 0.449 361 L N -0.565 120.652 121.223 -0.010 0.000 2.095 361 L HA -0.163 4.177 4.340 -0.000 0.000 0.204 361 L C 2.461 179.339 176.870 0.014 0.000 1.080 361 L CA 1.149 55.997 54.840 0.013 0.000 0.759 361 L CB -0.194 41.858 42.059 -0.012 0.000 0.914 361 L HN 0.159 nan 8.230 nan 0.000 0.439 362 K N 0.018 120.387 120.400 -0.051 0.000 2.147 362 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 362 K C 1.926 178.376 176.600 -0.250 0.000 1.049 362 K CA 1.144 57.351 56.287 -0.132 0.000 0.936 362 K CB -0.079 32.305 32.500 -0.195 0.000 0.722 362 K HN 0.277 nan 8.250 nan 0.000 0.446 363 L N -0.876 120.211 121.223 -0.227 0.000 2.375 363 L HA 0.038 4.378 4.340 -0.000 0.000 0.215 363 L C 0.850 177.519 176.870 -0.334 0.000 1.108 363 L CA 0.543 55.116 54.840 -0.446 0.000 0.830 363 L CB 0.227 42.087 42.059 -0.331 0.000 0.959 363 L HN 0.089 nan 8.230 nan 0.000 0.457 364 F N -1.077 118.827 119.950 -0.077 0.000 2.724 364 F HA 0.173 4.700 4.527 0.000 0.000 0.310 364 F C 0.721 176.381 175.800 -0.234 0.000 1.107 364 F CA -0.487 57.479 58.000 -0.058 0.000 1.218 364 F CB 0.596 39.620 39.000 0.040 0.000 1.042 364 F HN -0.156 nan 8.300 nan 0.000 0.540 365 T N -3.018 111.460 114.554 -0.127 0.000 2.952 365 T HA 0.426 4.776 4.350 -0.000 0.000 0.305 365 T C -0.424 174.186 174.700 -0.150 0.000 1.064 365 T CA -0.496 61.435 62.100 -0.283 0.000 1.008 365 T CB 0.765 69.620 68.868 -0.022 0.000 1.078 365 T HN -0.056 nan 8.240 nan 0.000 0.459 366 F N 2.444 122.609 119.950 0.357 0.000 2.859 366 F HA 0.433 4.960 4.527 -0.000 0.000 0.315 366 F C 0.738 176.719 175.800 0.303 0.000 1.207 366 F CA -0.817 57.377 58.000 0.323 0.000 1.370 366 F CB -0.622 38.250 39.000 -0.215 0.000 1.314 366 F HN 0.304 nan 8.300 nan 0.000 0.555 367 M N 2.041 121.890 119.600 0.414 0.000 2.157 367 M HA 0.331 4.811 4.480 -0.000 0.000 0.354 367 M C -2.305 174.202 176.300 0.345 0.000 1.170 367 M CA -1.900 53.581 55.300 0.302 0.000 1.060 367 M CB 1.164 33.875 32.600 0.185 0.000 1.615 367 M HN -0.119 nan 8.290 nan 0.000 0.460 368 P HA -0.094 nan 4.420 nan 0.000 0.261 368 P C 1.070 178.478 177.300 0.180 0.000 1.183 368 P CA -0.092 63.168 63.100 0.267 0.000 0.761 368 P CB 0.100 31.915 31.700 0.193 0.000 0.785 369 I N 1.095 121.757 120.570 0.154 0.000 2.227 369 I HA -0.309 3.861 4.170 -0.000 0.000 0.250 369 I C 1.108 177.268 176.117 0.070 0.000 1.087 369 I CA 2.043 63.393 61.300 0.083 0.000 1.352 369 I CB -2.180 35.851 38.000 0.052 0.000 1.043 369 I HN 0.160 nan 8.210 nan 0.000 0.425 370 S N 2.403 118.150 115.700 0.080 0.000 2.563 370 S HA -0.268 4.202 4.470 -0.000 0.000 0.236 370 S C 1.766 176.402 174.600 0.060 0.000 1.085 370 S CA 1.930 60.168 58.200 0.063 0.000 1.341 370 S CB -0.862 62.379 63.200 0.067 0.000 1.186 370 S HN 0.806 nan 8.310 nan 0.000 0.408 371 E N 1.836 122.078 120.200 0.069 0.000 2.515 371 E HA -0.026 4.324 4.350 -0.000 0.000 0.201 371 E C 1.603 178.242 176.600 0.064 0.000 1.071 371 E CA 0.332 56.770 56.400 0.063 0.000 0.880 371 E CB -0.573 29.167 29.700 0.067 0.000 0.828 371 E HN 0.665 nan 8.360 nan 0.000 0.540 372 I N 1.013 121.625 120.570 0.070 0.000 2.315 372 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 372 I C 1.510 177.650 176.117 0.039 0.000 1.117 372 I CA 1.517 62.853 61.300 0.060 0.000 1.404 372 I CB -0.005 38.032 38.000 0.062 0.000 1.071 372 I HN 0.067 nan 8.210 nan 0.000 0.419 373 T N 0.435 115.011 114.554 0.036 0.000 2.904 373 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 373 T C 1.763 176.484 174.700 0.035 0.000 1.059 373 T CA 1.301 63.418 62.100 0.029 0.000 1.137 373 T CB -0.149 68.734 68.868 0.024 0.000 0.879 373 T HN 0.193 nan 8.240 nan 0.000 0.467 374 K N 2.004 122.427 120.400 0.039 0.000 2.044 374 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 374 K C 2.098 178.726 176.600 0.047 0.000 1.049 374 K CA 2.011 58.323 56.287 0.041 0.000 0.927 374 K CB -1.245 31.280 32.500 0.043 0.000 0.713 374 K HN 0.265 nan 8.250 nan 0.000 0.443 375 T N 1.308 115.891 114.554 0.048 0.000 2.778 375 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 375 T C 1.546 176.286 174.700 0.067 0.000 1.050 375 T CA 1.566 63.697 62.100 0.052 0.000 1.137 375 T CB -0.156 68.736 68.868 0.039 0.000 0.860 375 T HN 0.144 nan 8.240 nan 0.000 0.468 376 M N 0.616 120.251 119.600 0.057 0.000 2.476 376 M HA 0.119 4.599 4.480 -0.000 0.000 0.262 376 M C 2.035 178.389 176.300 0.091 0.000 1.079 376 M CA 0.899 56.248 55.300 0.081 0.000 1.104 376 M CB -0.824 31.805 32.600 0.048 0.000 1.409 376 M HN 0.161 nan 8.290 nan 0.000 0.467 377 E N 0.537 120.775 120.200 0.064 0.000 2.076 377 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 377 E C 1.972 178.599 176.600 0.045 0.000 0.979 377 E CA 0.959 57.386 56.400 0.045 0.000 0.807 377 E CB 0.185 29.905 29.700 0.034 0.000 0.761 377 E HN 0.281 nan 8.360 nan 0.000 0.454 378 E N -0.563 119.673 120.200 0.060 0.000 2.107 378 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 378 E C 1.985 178.626 176.600 0.068 0.000 0.982 378 E CA 0.989 57.422 56.400 0.055 0.000 0.809 378 E CB -0.380 29.356 29.700 0.061 0.000 0.756 378 E HN 0.384 nan 8.360 nan 0.000 0.459 379 H N 1.518 120.593 119.070 0.008 0.000 2.321 379 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 379 H C 2.073 177.401 175.328 -0.001 0.000 1.087 379 H CA 2.076 58.127 56.048 0.005 0.000 1.319 379 H CB -0.259 29.504 29.762 0.001 0.000 1.379 379 H HN 0.211 nan 8.280 nan 0.000 0.501 380 I N -0.891 119.620 120.570 -0.097 0.000 2.756 380 I HA -0.061 4.109 4.170 -0.000 0.000 0.262 380 I C 1.726 177.774 176.117 -0.115 0.000 1.225 380 I CA 1.248 62.461 61.300 -0.145 0.000 1.472 380 I CB -0.361 37.617 38.000 -0.036 0.000 1.094 380 I HN 0.045 nan 8.210 nan 0.000 0.454 381 K N 0.320 120.675 120.400 -0.076 0.000 2.365 381 K HA -0.050 4.270 4.320 -0.000 0.000 0.199 381 K C 0.055 176.612 176.600 -0.072 0.000 1.045 381 K CA 0.880 57.135 56.287 -0.053 0.000 0.962 381 K CB -0.107 32.378 32.500 -0.025 0.000 0.759 381 K HN 0.409 nan 8.250 nan 0.000 0.469 382 D N -0.875 119.452 120.400 -0.121 0.000 2.445 382 D HA 0.130 4.770 4.640 -0.000 0.000 0.236 382 D C -2.431 173.736 176.300 -0.222 0.000 1.315 382 D CA -1.756 52.172 54.000 -0.121 0.000 0.924 382 D CB 1.353 42.116 40.800 -0.061 0.000 1.447 382 D HN -0.261 nan 8.370 nan 0.000 0.532 383 P HA -0.154 nan 4.420 nan 0.000 0.214 383 P C 1.171 178.381 177.300 -0.151 0.000 1.163 383 P CA 1.453 64.352 63.100 -0.336 0.000 0.889 383 P CB 0.126 31.719 31.700 -0.178 0.000 0.790 384 S N -2.071 113.587 115.700 -0.070 0.000 2.803 384 S HA 0.046 4.516 4.470 -0.000 0.000 0.226 384 S C 1.555 176.163 174.600 0.014 0.000 0.962 384 S CA 0.435 58.628 58.200 -0.012 0.000 0.968 384 S CB -0.624 62.571 63.200 -0.009 0.000 0.786 384 S HN -0.071 nan 8.310 nan 0.000 0.527 385 K N 1.554 121.962 120.400 0.013 0.000 2.354 385 K HA 0.237 4.557 4.320 -0.000 0.000 0.194 385 K C 0.263 176.936 176.600 0.123 0.000 1.038 385 K CA -0.130 56.188 56.287 0.052 0.000 1.052 385 K CB -0.112 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 0.007 120.615 120.500 0.180 0.000 3.416 386 R HA -0.141 4.199 4.340 -0.000 0.000 0.263 386 R C 1.011 177.462 176.300 0.251 0.000 1.053 386 R CA 0.404 56.644 56.100 0.233 0.000 0.705 386 R CB -2.619 27.746 30.300 0.107 0.000 1.124 386 R HN -0.050 nan 8.270 nan 0.000 0.444 387 V N -0.873 119.225 119.914 0.307 0.000 2.287 387 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 387 V C 2.602 178.789 176.094 0.155 0.000 1.053 387 V CA 2.345 64.766 62.300 0.202 0.000 1.027 387 V CB -0.614 31.310 31.823 0.168 0.000 0.646 387 V HN 0.677 nan 8.190 nan 0.000 0.447 388 A N -0.761 122.109 122.820 0.085 0.000 1.968 388 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 388 A C 2.151 179.661 177.584 -0.123 0.000 1.169 388 A CA 1.514 53.487 52.037 -0.106 0.000 0.638 388 A CB -0.472 18.307 19.000 -0.368 0.000 0.812 388 A HN 0.519 nan 8.150 nan 0.000 0.446 389 Q N -0.801 118.910 119.800 -0.149 0.000 2.170 389 Q HA -0.140 4.199 4.340 -0.000 0.000 0.203 389 Q C 1.965 177.881 176.000 -0.140 0.000 0.976 389 Q CA 1.558 57.264 55.803 -0.162 0.000 0.858 389 Q CB -0.373 28.258 28.738 -0.180 0.000 0.907 389 Q HN 0.788 nan 8.270 nan 0.000 0.433 390 H N -0.966 118.065 119.070 -0.065 0.000 2.333 390 H HA -0.026 4.530 4.556 -0.000 0.000 0.302 390 H C 1.750 177.107 175.328 0.049 0.000 1.075 390 H CA 1.859 57.914 56.048 0.010 0.000 1.348 390 H CB 0.231 30.032 29.762 0.064 0.000 1.393 390 H HN 0.273 nan 8.280 nan 0.000 0.509 391 T N 1.848 116.492 114.554 0.150 0.000 2.746 391 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 391 T C 2.111 176.838 174.700 0.045 0.000 1.039 391 T CA 1.118 63.276 62.100 0.097 0.000 1.142 391 T CB -0.388 68.523 68.868 0.071 0.000 0.866 391 T HN 0.103 nan 8.240 nan 0.000 0.444 392 L N 1.462 122.683 121.223 -0.005 0.000 2.109 392 L HA 0.288 4.628 4.340 -0.000 0.000 0.207 392 L C 2.511 179.327 176.870 -0.091 0.000 1.086 392 L CA 1.600 56.419 54.840 -0.034 0.000 0.760 392 L CB -1.282 40.746 42.059 -0.052 0.000 0.910 392 L HN 0.191 nan 8.230 nan 0.000 0.437 393 A N 0.153 122.910 122.820 -0.105 0.000 1.858 393 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 393 A C 2.519 180.076 177.584 -0.044 0.000 1.190 393 A CA 1.763 53.683 52.037 -0.195 0.000 0.617 393 A CB -0.699 18.064 19.000 -0.394 0.000 0.827 393 A HN 0.522 nan 8.150 nan 0.000 0.443 394 R N -0.359 120.239 120.500 0.163 0.000 2.115 394 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 394 R C 2.066 178.399 176.300 0.054 0.000 1.133 394 R CA 2.051 58.243 56.100 0.154 0.000 0.935 394 R CB -0.371 30.023 30.300 0.156 0.000 0.853 394 R HN 0.479 nan 8.270 nan 0.000 0.433 395 E N 0.126 120.345 120.200 0.031 0.000 2.055 395 E HA -0.236 4.114 4.350 -0.000 0.000 0.209 395 E C 2.090 178.702 176.600 0.020 0.000 1.036 395 E CA 1.900 58.323 56.400 0.038 0.000 0.849 395 E CB -0.705 29.007 29.700 0.020 0.000 0.767 395 E HN 0.295 nan 8.360 nan 0.000 0.461 396 V N 1.121 120.968 119.914 -0.113 0.000 2.252 396 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 396 V C 2.670 178.820 176.094 0.093 0.000 1.056 396 V CA 1.913 64.133 62.300 -0.132 0.000 1.022 396 V CB -0.803 30.557 31.823 -0.772 0.000 0.641 396 V HN 0.068 nan 8.190 nan 0.000 0.445 397 V N 0.137 120.118 119.914 0.111 0.000 2.255 397 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 397 V C 2.602 178.830 176.094 0.223 0.000 1.051 397 V CA 2.768 65.266 62.300 0.329 0.000 1.018 397 V CB -1.169 30.788 31.823 0.223 0.000 0.641 397 V HN 0.692 nan 8.190 nan 0.000 0.445 398 T N 0.749 115.379 114.554 0.127 0.000 2.684 398 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 398 T C 1.875 176.626 174.700 0.084 0.000 1.036 398 T CA 1.967 64.124 62.100 0.096 0.000 1.148 398 T CB -0.454 68.460 68.868 0.077 0.000 0.863 398 T HN 0.344 nan 8.240 nan 0.000 0.436 399 L N 1.592 122.877 121.223 0.104 0.000 1.989 399 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 399 L C 2.016 178.880 176.870 -0.009 0.000 1.071 399 L CA 1.782 56.668 54.840 0.077 0.000 0.749 399 L CB -0.670 41.505 42.059 0.192 0.000 0.890 399 L HN 0.147 nan 8.230 nan 0.000 0.431 400 V N -0.129 119.790 119.914 0.009 0.000 3.577 400 V HA 0.075 4.195 4.120 -0.000 0.000 0.294 400 V C 0.836 176.684 176.094 -0.411 0.000 1.317 400 V CA 0.419 62.614 62.300 -0.175 0.000 1.169 400 V CB -1.013 30.710 31.823 -0.167 0.000 1.011 400 V HN 0.589 nan 8.190 nan 0.000 0.426 401 H N -0.400 118.654 119.070 -0.027 0.000 3.664 401 H HA 0.341 4.897 4.556 -0.000 0.000 0.265 401 H C 0.985 176.309 175.328 -0.007 0.000 1.147 401 H CA 0.564 56.596 56.048 -0.027 0.000 1.142 401 H CB 1.260 31.016 29.762 -0.010 0.000 1.870 401 H HN 0.434 nan 8.280 nan 0.000 0.820 402 G N 2.101 110.947 108.800 0.077 0.000 2.755 402 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.686 402 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.686 402 G C 0.990 175.924 174.900 0.056 0.000 1.427 402 G CA 0.147 45.277 45.100 0.050 0.000 0.873 402 G HN 0.387 nan 8.290 nan 0.000 0.580 403 K N 0.137 120.560 120.400 0.038 0.000 2.002 403 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 403 K C 2.271 178.887 176.600 0.026 0.000 1.048 403 K CA 1.911 58.218 56.287 0.033 0.000 0.930 403 K CB -0.255 32.262 32.500 0.028 0.000 0.714 403 K HN 0.514 nan 8.250 nan 0.000 0.438 404 Q N 0.491 120.307 119.800 0.028 0.000 2.197 404 Q HA -0.259 4.081 4.340 -0.000 0.000 0.211 404 Q C 2.086 178.099 176.000 0.020 0.000 0.993 404 Q CA 2.280 58.098 55.803 0.024 0.000 0.883 404 Q CB -0.071 28.684 28.738 0.028 0.000 0.916 404 Q HN 0.472 nan 8.270 nan 0.000 0.418 405 E N -0.553 119.665 120.200 0.030 0.000 2.122 405 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 405 E C 1.676 178.261 176.600 -0.026 0.000 0.977 405 E CA 1.037 57.447 56.400 0.016 0.000 0.820 405 E CB -0.324 29.404 29.700 0.047 0.000 0.770 405 E HN 0.319 nan 8.360 nan 0.000 0.462 406 A N 0.237 123.051 122.820 -0.011 0.000 1.903 406 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 406 A C 2.480 179.988 177.584 -0.127 0.000 1.191 406 A CA 2.284 54.284 52.037 -0.061 0.000 0.638 406 A CB -1.065 17.935 19.000 0.000 0.000 0.823 406 A HN 0.321 nan 8.150 nan 0.000 0.451 407 S N -1.035 114.633 115.700 -0.054 0.000 2.336 407 S HA 0.077 4.547 4.470 -0.000 0.000 0.214 407 S C 2.407 176.980 174.600 -0.045 0.000 1.032 407 S CA 1.242 59.420 58.200 -0.037 0.000 1.001 407 S CB -0.686 62.514 63.200 -0.000 0.000 0.953 407 S HN 0.946 nan 8.310 nan 0.000 0.430 408 A N 1.617 124.426 122.820 -0.019 0.000 1.969 408 A HA -0.247 4.073 4.320 -0.000 0.000 0.223 408 A C 2.267 179.856 177.584 0.009 0.000 1.218 408 A CA 2.449 54.487 52.037 0.002 0.000 0.667 408 A CB -1.334 17.672 19.000 0.009 0.000 0.826 408 A HN 0.610 nan 8.150 nan 0.000 0.472 409 A N -0.950 121.829 122.820 -0.068 0.000 1.855 409 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 409 A C 2.031 179.530 177.584 -0.143 0.000 1.191 409 A CA 1.819 53.800 52.037 -0.095 0.000 0.613 409 A CB -0.683 18.127 19.000 -0.316 0.000 0.829 409 A HN 0.695 nan 8.150 nan 0.000 0.442 410 E N -0.031 119.919 120.200 -0.417 0.000 2.114 410 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 410 E C 1.385 178.131 176.600 0.244 0.000 1.008 410 E CA 1.687 58.052 56.400 -0.057 0.000 0.810 410 E CB -0.218 29.511 29.700 0.049 0.000 0.739 410 E HN 0.581 nan 8.360 nan 0.000 0.456 411 D N 0.310 120.794 120.400 0.138 0.000 2.103 411 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 411 D C 2.117 178.542 176.300 0.207 0.000 0.997 411 D CA 1.556 55.645 54.000 0.147 0.000 0.833 411 D CB -0.433 40.417 40.800 0.083 0.000 0.961 411 D HN 0.413 nan 8.370 nan 0.000 0.447 412 Q N -0.344 119.596 119.800 0.235 0.000 2.077 412 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 412 Q C 1.924 178.207 176.000 0.471 0.000 0.989 412 Q CA 1.013 56.961 55.803 0.242 0.000 0.853 412 Q CB -0.211 28.645 28.738 0.197 0.000 0.907 412 Q HN 0.424 nan 8.270 nan 0.000 0.418 413 H N -0.240 119.236 119.070 0.677 0.000 2.556 413 H HA 0.125 4.681 4.556 0.000 0.000 0.273 413 H C 0.994 176.547 175.328 0.374 0.000 1.030 413 H CA 0.642 57.013 56.048 0.538 0.000 1.156 413 H CB 0.364 30.337 29.762 0.351 0.000 1.326 413 H HN 0.082 nan 8.280 nan 0.000 0.609 414 R N -0.699 120.049 120.500 0.412 0.000 2.476 414 R HA 0.105 4.445 4.340 -0.000 0.000 0.276 414 R C 0.593 177.002 176.300 0.181 0.000 0.941 414 R CA -0.179 56.093 56.100 0.287 0.000 1.088 414 R CB 0.678 31.115 30.300 0.228 0.000 1.216 414 R HN 0.141 nan 8.270 nan 0.000 0.533 415 M N 0.228 119.926 119.600 0.164 0.000 1.782 415 M HA 0.032 4.512 4.480 -0.000 0.000 0.199 415 M C 0.989 177.340 176.300 0.084 0.000 1.314 415 M CA 0.217 55.575 55.300 0.096 0.000 0.877 415 M CB -0.066 32.569 32.600 0.059 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