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 3mav_1_A DATA FIRST_RESID 34 DATA SEQUENCE AFFRNMYDKY RDAFLSHLNE YSLEEEIKEH ISKYYKLLFD YNCLGGKNNR DATA SEQUENCE GILVILIYEY VKNXDINSSE WEKAACLAWC IEILQAAFLV ADDIMDKGEM DATA SEQUENCE RRNKYCWYLL KDVETKNAVN DVLLLYNSIY KLIEIYLRNE SCYVDVIATF DATA SEQUENCE RDATLKTIIG QHLDTNIFSD KYSDAXREID VNNINVPEQP VIDINMINFG DATA SEQUENCE VYKNIVIHKT AYYSFFLPIV CGMLLAGIAV DNLIYKKIED ISMLMGEYFQ DATA SEQUENCE IHDDYLDIFX XXXXXXXVGS DIQNNKLTWP LIKTFELCSE PDKIKIVKNY DATA SEQUENCE GKNNLACVKV IDSLYEQYKI RKHYESYEKA QKAKILSAIN ELHHEGIEYV DATA SEQUENCE LKYLLEIL 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.729 177.584 0.242 0.000 1.274 34 A CA 0.000 52.157 52.037 0.201 0.000 0.836 34 A CB 0.000 19.084 19.000 0.139 0.000 0.831 35 F N -0.120 120.004 119.950 0.290 0.000 2.206 35 F HA 0.240 4.781 4.527 0.022 0.000 0.298 35 F C 2.124 178.297 175.800 0.621 0.000 1.090 35 F CA 1.996 60.205 58.000 0.349 0.000 1.323 35 F CB -1.075 38.035 39.000 0.183 0.000 1.028 35 F HN 0.458 nan 8.300 nan 0.000 0.492 36 F N 1.915 122.164 119.950 0.498 0.000 2.163 36 F HA 0.049 4.589 4.527 0.022 0.000 0.297 36 F C 2.522 178.610 175.800 0.481 0.000 1.094 36 F CA 2.392 60.614 58.000 0.369 0.000 1.290 36 F CB -1.077 37.986 39.000 0.105 0.000 1.017 36 F HN 0.199 nan 8.300 nan 0.000 0.483 37 R N 0.675 121.281 120.500 0.177 0.000 2.148 37 R HA -0.137 4.216 4.340 0.022 0.000 0.227 37 R C 1.892 178.317 176.300 0.208 0.000 1.103 37 R CA 1.665 57.878 56.100 0.187 0.000 0.983 37 R CB -2.271 28.140 30.300 0.185 0.000 0.874 37 R HN 0.601 nan 8.270 nan 0.000 0.451 38 N N -0.288 118.536 118.700 0.206 0.000 2.331 38 N HA -0.071 4.682 4.740 0.022 0.000 0.180 38 N C 1.945 177.529 175.510 0.124 0.000 1.019 38 N CA 2.343 55.485 53.050 0.152 0.000 0.881 38 N CB -0.094 38.486 38.487 0.156 0.000 0.972 38 N HN 0.467 nan 8.380 nan 0.000 0.435 39 M N -0.790 118.933 119.600 0.205 0.000 2.394 39 M HA 0.057 4.551 4.480 0.022 0.000 0.264 39 M C 2.012 178.237 176.300 -0.124 0.000 1.073 39 M CA 1.177 56.549 55.300 0.120 0.000 1.111 39 M CB -1.864 30.956 32.600 0.366 0.000 1.401 39 M HN 0.432 nan 8.290 nan 0.000 0.448 40 Y N 1.788 121.864 120.300 -0.374 0.000 2.030 40 Y HA -0.389 4.176 4.550 0.024 0.000 0.272 40 Y C 2.028 177.546 175.900 -0.638 0.000 1.185 40 Y CA 2.991 60.467 58.100 -1.041 0.000 1.120 40 Y CB -0.786 37.031 38.460 -1.071 0.000 0.955 40 Y HN 0.498 nan 8.280 nan 0.000 0.495 41 D N -0.001 120.085 120.400 -0.522 0.000 2.133 41 D HA -0.220 4.434 4.640 0.022 0.000 0.195 41 D C 2.220 178.219 176.300 -0.501 0.000 0.997 41 D CA 1.749 55.458 54.000 -0.484 0.000 0.840 41 D CB -0.344 40.334 40.800 -0.204 0.000 0.947 41 D HN 0.362 nan 8.370 nan 0.000 0.452 42 K N -0.413 119.682 120.400 -0.510 0.000 2.063 42 K HA -0.193 4.141 4.320 0.022 0.000 0.208 42 K C 1.807 178.045 176.600 -0.604 0.000 1.048 42 K CA 1.207 57.160 56.287 -0.556 0.000 0.928 42 K CB -0.152 31.924 32.500 -0.706 0.000 0.713 42 K HN 0.269 nan 8.250 nan 0.000 0.442 43 Y N 0.347 120.424 120.300 -0.373 0.000 2.269 43 Y HA 0.019 4.582 4.550 0.022 0.000 0.294 43 Y C 2.532 178.186 175.900 -0.411 0.000 1.120 43 Y CA 0.883 58.794 58.100 -0.316 0.000 1.159 43 Y CB -0.481 37.782 38.460 -0.329 0.000 1.024 43 Y HN 0.051 nan 8.280 nan 0.000 0.532 44 R N 0.785 120.922 120.500 -0.604 0.000 2.073 44 R HA -0.176 4.178 4.340 0.022 0.000 0.234 44 R C 1.248 177.276 176.300 -0.454 0.000 1.134 44 R CA 2.165 57.830 56.100 -0.726 0.000 0.952 44 R CB -0.317 29.393 30.300 -0.983 0.000 0.850 44 R HN 0.269 nan 8.270 nan 0.000 0.433 45 D N 0.388 120.574 120.400 -0.356 0.000 2.144 45 D HA -0.100 4.553 4.640 0.022 0.000 0.200 45 D C 1.762 177.964 176.300 -0.165 0.000 0.978 45 D CA 1.369 55.231 54.000 -0.230 0.000 0.833 45 D CB -0.293 40.387 40.800 -0.200 0.000 0.961 45 D HN 0.383 nan 8.370 nan 0.000 0.470 46 A N 0.395 123.146 122.820 -0.115 0.000 1.940 46 A HA -0.186 4.147 4.320 0.022 0.000 0.219 46 A C 2.061 179.636 177.584 -0.015 0.000 1.176 46 A CA 1.057 53.078 52.037 -0.027 0.000 0.631 46 A CB -0.880 18.194 19.000 0.122 0.000 0.814 46 A HN 0.260 nan 8.150 nan 0.000 0.446 47 F N 0.242 120.092 119.950 -0.166 0.000 2.187 47 F HA 0.039 4.579 4.527 0.023 0.000 0.295 47 F C 1.837 177.540 175.800 -0.162 0.000 1.091 47 F CA 1.132 59.033 58.000 -0.166 0.000 1.308 47 F CB -0.213 38.624 39.000 -0.272 0.000 1.030 47 F HN 0.112 nan 8.300 nan 0.000 0.487 48 L N -0.729 120.319 121.223 -0.292 0.000 2.083 48 L HA -0.220 4.134 4.340 0.022 0.000 0.209 48 L C 2.723 179.412 176.870 -0.302 0.000 1.083 48 L CA 1.520 56.182 54.840 -0.296 0.000 0.752 48 L CB -0.981 40.981 42.059 -0.161 0.000 0.899 48 L HN 0.214 nan 8.230 nan 0.000 0.433 49 S N -0.963 114.599 115.700 -0.229 0.000 2.402 49 S HA -0.259 4.224 4.470 0.022 0.000 0.229 49 S C 2.026 176.490 174.600 -0.227 0.000 1.021 49 S CA 1.414 59.502 58.200 -0.187 0.000 0.974 49 S CB -0.231 62.894 63.200 -0.126 0.000 0.800 49 S HN 0.616 nan 8.310 nan 0.000 0.484 50 H N 1.121 119.973 119.070 -0.363 0.000 2.321 50 H HA 0.090 4.660 4.556 0.022 0.000 0.300 50 H C 1.887 176.877 175.328 -0.563 0.000 1.087 50 H CA 2.074 57.900 56.048 -0.370 0.000 1.319 50 H CB -0.466 29.081 29.762 -0.358 0.000 1.379 50 H HN 0.371 nan 8.280 nan 0.000 0.501 51 L N 0.235 120.892 121.223 -0.944 0.000 2.083 51 L HA -0.172 4.181 4.340 0.022 0.000 0.209 51 L C 2.490 178.859 176.870 -0.835 0.000 1.083 51 L CA 1.377 55.467 54.840 -1.249 0.000 0.752 51 L CB -0.545 40.996 42.059 -0.864 0.000 0.899 51 L HN 0.502 nan 8.230 nan 0.000 0.433 52 N N 0.107 118.525 118.700 -0.471 0.000 2.381 52 N HA -0.160 4.594 4.740 0.022 0.000 0.182 52 N C 1.293 176.689 175.510 -0.189 0.000 1.025 52 N CA 0.699 53.595 53.050 -0.256 0.000 0.888 52 N CB 0.282 38.661 38.487 -0.179 0.000 0.965 52 N HN 0.339 nan 8.380 nan 0.000 0.438 53 E N -0.082 119.981 120.200 -0.227 0.000 2.502 53 E HA -0.028 4.335 4.350 0.022 0.000 0.194 53 E C -0.243 176.373 176.600 0.027 0.000 1.062 53 E CA 0.045 56.385 56.400 -0.099 0.000 0.867 53 E CB -0.088 29.553 29.700 -0.098 0.000 0.888 53 E HN 0.301 nan 8.360 nan 0.000 0.510 54 Y N 1.113 121.296 120.300 -0.195 0.000 2.480 54 Y HA -0.003 4.560 4.550 0.023 0.000 0.338 54 Y C 1.248 177.095 175.900 -0.089 0.000 1.220 54 Y CA -1.175 56.837 58.100 -0.148 0.000 1.430 54 Y CB 0.477 38.852 38.460 -0.143 0.000 1.311 54 Y HN -0.254 nan 8.280 nan 0.000 0.575 55 S N 4.415 120.155 115.700 0.067 0.000 3.517 55 S HA 0.456 4.940 4.470 0.022 0.000 0.284 55 S C -0.652 173.970 174.600 0.036 0.000 1.260 55 S CA -0.310 57.905 58.200 0.024 0.000 0.975 55 S CB -1.528 61.666 63.200 -0.010 0.000 1.540 55 S HN 0.492 nan 8.310 nan 0.000 0.506 56 L N 2.755 124.006 121.223 0.047 0.000 2.350 56 L HA 0.548 4.901 4.340 0.022 0.000 0.260 56 L C 0.091 176.978 176.870 0.028 0.000 1.015 56 L CA -1.042 53.826 54.840 0.047 0.000 0.821 56 L CB 1.788 43.891 42.059 0.073 0.000 1.370 56 L HN 0.347 nan 8.230 nan 0.000 0.416 57 E N 0.989 121.206 120.200 0.028 0.000 2.392 57 E HA -0.004 4.359 4.350 0.022 0.000 0.264 57 E C 0.146 176.753 176.600 0.011 0.000 1.024 57 E CA -0.375 56.036 56.400 0.018 0.000 0.903 57 E CB 0.999 30.713 29.700 0.024 0.000 0.963 57 E HN 0.444 nan 8.360 nan 0.000 0.432 58 E N 2.462 122.660 120.200 -0.004 0.000 2.114 58 E HA -0.292 4.071 4.350 0.022 0.000 0.199 58 E C 2.176 178.752 176.600 -0.039 0.000 1.008 58 E CA 1.982 58.369 56.400 -0.021 0.000 0.810 58 E CB -0.359 29.327 29.700 -0.024 0.000 0.739 58 E HN 0.760 nan 8.360 nan 0.000 0.456 59 E N 1.098 121.276 120.200 -0.036 0.000 2.110 59 E HA -0.140 4.223 4.350 0.022 0.000 0.193 59 E C 2.007 178.564 176.600 -0.073 0.000 0.988 59 E CA 1.284 57.634 56.400 -0.084 0.000 0.804 59 E CB -0.511 29.177 29.700 -0.020 0.000 0.745 59 E HN 0.097 nan 8.360 nan 0.000 0.458 60 I N 1.064 121.664 120.570 0.051 0.000 2.252 60 I HA -0.184 3.999 4.170 0.022 0.000 0.245 60 I C 2.380 178.550 176.117 0.087 0.000 1.102 60 I CA 1.561 62.938 61.300 0.129 0.000 1.385 60 I CB -0.959 37.102 38.000 0.102 0.000 1.064 60 I HN 0.296 nan 8.210 nan 0.000 0.414 61 K N 0.630 121.047 120.400 0.027 0.000 2.097 61 K HA -0.202 4.131 4.320 0.022 0.000 0.206 61 K C 2.012 178.610 176.600 -0.004 0.000 1.049 61 K CA 1.332 57.624 56.287 0.009 0.000 0.933 61 K CB -0.091 32.397 32.500 -0.020 0.000 0.717 61 K HN 0.351 nan 8.250 nan 0.000 0.442 62 E N -0.213 119.944 120.200 -0.071 0.000 2.051 62 E HA -0.163 4.200 4.350 0.022 0.000 0.192 62 E C 2.048 178.606 176.600 -0.070 0.000 0.991 62 E CA 1.041 57.370 56.400 -0.117 0.000 0.799 62 E CB 0.063 29.625 29.700 -0.229 0.000 0.748 62 E HN 0.345 nan 8.360 nan 0.000 0.449 63 H N 0.038 119.140 119.070 0.053 0.000 2.326 63 H HA -0.119 4.450 4.556 0.022 0.000 0.301 63 H C 2.472 177.861 175.328 0.102 0.000 1.081 63 H CA 1.589 57.675 56.048 0.064 0.000 1.334 63 H CB -0.408 29.378 29.762 0.039 0.000 1.385 63 H HN 0.320 nan 8.280 nan 0.000 0.504 64 I N 0.404 121.120 120.570 0.244 0.000 2.315 64 I HA -0.164 4.019 4.170 0.022 0.000 0.248 64 I C 2.579 178.908 176.117 0.353 0.000 1.117 64 I CA 1.702 63.182 61.300 0.300 0.000 1.404 64 I CB -0.488 37.715 38.000 0.339 0.000 1.071 64 I HN 0.095 nan 8.210 nan 0.000 0.419 65 S N 1.259 117.085 115.700 0.210 0.000 2.399 65 S HA -0.125 4.359 4.470 0.022 0.000 0.231 65 S C 2.252 176.956 174.600 0.175 0.000 1.022 65 S CA 1.439 59.737 58.200 0.163 0.000 0.983 65 S CB -0.934 62.301 63.200 0.058 0.000 0.803 65 S HN 0.680 nan 8.310 nan 0.000 0.480 66 K N 0.855 121.352 120.400 0.163 0.000 2.031 66 K HA 0.038 4.372 4.320 0.022 0.000 0.205 66 K C 1.959 178.663 176.600 0.173 0.000 1.049 66 K CA 1.319 57.695 56.287 0.149 0.000 0.939 66 K CB -1.766 30.818 32.500 0.141 0.000 0.717 66 K HN 0.625 nan 8.250 nan 0.000 0.438 67 Y N -0.251 120.084 120.300 0.058 0.000 2.145 67 Y HA -0.204 4.360 4.550 0.023 0.000 0.286 67 Y C 2.304 178.193 175.900 -0.019 0.000 1.145 67 Y CA 2.010 60.091 58.100 -0.031 0.000 1.148 67 Y CB -0.073 38.259 38.460 -0.214 0.000 0.981 67 Y HN 0.349 nan 8.280 nan 0.000 0.507 68 Y N 0.284 120.820 120.300 0.393 0.000 2.395 68 Y HA -0.083 4.480 4.550 0.022 0.000 0.293 68 Y C 2.480 178.585 175.900 0.342 0.000 1.123 68 Y CA 1.310 59.643 58.100 0.388 0.000 1.227 68 Y CB -0.451 38.271 38.460 0.438 0.000 1.012 68 Y HN 0.071 nan 8.280 nan 0.000 0.552 69 K N 0.215 120.809 120.400 0.324 0.000 2.057 69 K HA -0.190 4.144 4.320 0.022 0.000 0.206 69 K C 2.008 178.732 176.600 0.208 0.000 1.050 69 K CA 1.236 57.659 56.287 0.227 0.000 0.935 69 K CB -0.376 32.204 32.500 0.134 0.000 0.715 69 K HN 0.277 nan 8.250 nan 0.000 0.439 70 L N 1.364 122.667 121.223 0.132 0.000 2.056 70 L HA -0.114 4.240 4.340 0.022 0.000 0.207 70 L C 2.144 178.981 176.870 -0.054 0.000 1.078 70 L CA 1.137 56.030 54.840 0.089 0.000 0.749 70 L CB -0.543 41.566 42.059 0.083 0.000 0.901 70 L HN 0.229 nan 8.230 nan 0.000 0.433 71 L N -1.093 120.014 121.223 -0.193 0.000 2.013 71 L HA -0.231 4.123 4.340 0.022 0.000 0.212 71 L C 2.178 178.798 176.870 -0.417 0.000 1.073 71 L CA 2.025 56.518 54.840 -0.579 0.000 0.753 71 L CB -0.812 41.101 42.059 -0.244 0.000 0.890 71 L HN 0.223 nan 8.230 nan 0.000 0.432 72 F N 0.028 119.942 119.950 -0.059 0.000 2.098 72 F HA -0.159 4.381 4.527 0.022 0.000 0.294 72 F C 2.343 178.187 175.800 0.073 0.000 1.107 72 F CA 1.665 59.686 58.000 0.035 0.000 1.234 72 F CB -0.639 38.422 39.000 0.101 0.000 1.002 72 F HN 0.138 nan 8.300 nan 0.000 0.472 73 D N -0.913 119.652 120.400 0.276 0.000 2.104 73 D HA -0.254 4.400 4.640 0.022 0.000 0.194 73 D C 2.012 178.348 176.300 0.060 0.000 0.994 73 D CA 1.450 55.545 54.000 0.159 0.000 0.830 73 D CB -0.908 39.987 40.800 0.159 0.000 0.959 73 D HN 0.286 nan 8.370 nan 0.000 0.452 74 Y N 1.214 121.471 120.300 -0.072 0.000 2.224 74 Y HA -0.156 4.408 4.550 0.024 0.000 0.289 74 Y C 1.750 177.586 175.900 -0.107 0.000 1.146 74 Y CA 1.431 59.489 58.100 -0.070 0.000 1.182 74 Y CB 0.182 38.609 38.460 -0.055 0.000 0.983 74 Y HN -0.028 nan 8.280 nan 0.000 0.524 75 N N -2.255 116.418 118.700 -0.044 0.000 2.322 75 N HA -0.001 4.753 4.740 0.022 0.000 0.181 75 N C 1.140 176.636 175.510 -0.022 0.000 1.088 75 N CA 0.895 53.904 53.050 -0.069 0.000 0.885 75 N CB 0.012 38.369 38.487 -0.216 0.000 1.013 75 N HN 0.302 nan 8.380 nan 0.000 0.472 76 C N 0.684 119.994 119.300 0.018 0.000 2.735 76 C HA 0.382 4.856 4.460 0.022 0.000 0.271 76 C C 1.169 176.207 174.990 0.079 0.000 1.281 76 C CA -0.406 58.689 59.018 0.130 0.000 1.719 76 C CB -0.527 27.395 27.740 0.303 0.000 2.024 76 C HN 0.159 nan 8.230 nan 0.000 0.566 77 L N 0.197 121.373 121.223 -0.079 0.000 2.358 77 L HA 0.684 5.038 4.340 0.022 0.000 0.268 77 L C 1.315 178.150 176.870 -0.058 0.000 1.032 77 L CA 0.589 55.363 54.840 -0.111 0.000 0.805 77 L CB 0.730 42.642 42.059 -0.244 0.000 1.253 77 L HN 0.339 nan 8.230 nan 0.000 0.452 78 G N 0.495 109.274 108.800 -0.034 0.000 2.234 78 G HA2 -0.202 3.772 3.960 0.022 0.000 0.235 78 G HA3 -0.202 3.772 3.960 0.022 0.000 0.235 78 G C 0.494 175.394 174.900 -0.001 0.000 0.997 78 G CA -0.195 44.888 45.100 -0.029 0.000 0.623 78 G HN 1.030 nan 8.290 nan 0.000 0.514 79 G N -0.381 108.432 108.800 0.021 0.000 2.599 79 G HA2 0.496 4.469 3.960 0.022 0.000 0.264 79 G HA3 0.496 4.469 3.960 0.022 0.000 0.264 79 G C 0.841 175.757 174.900 0.026 0.000 1.200 79 G CA 0.361 45.478 45.100 0.028 0.000 0.896 79 G HN 0.337 nan 8.290 nan 0.000 0.536 80 K N -0.394 120.012 120.400 0.010 0.000 2.288 80 K HA -0.040 4.293 4.320 0.022 0.000 0.201 80 K C 0.646 177.237 176.600 -0.015 0.000 1.048 80 K CA 0.843 57.129 56.287 -0.002 0.000 0.956 80 K CB -0.099 32.388 32.500 -0.021 0.000 0.746 80 K HN 0.679 nan 8.250 nan 0.000 0.461 81 N N 0.667 119.348 118.700 -0.032 0.000 2.747 81 N HA -0.182 4.572 4.740 0.022 0.000 0.249 81 N C 0.059 175.456 175.510 -0.189 0.000 1.107 81 N CA 0.232 53.236 53.050 -0.075 0.000 0.707 81 N CB -0.895 37.632 38.487 0.067 0.000 1.054 81 N HN 0.237 nan 8.380 nan 0.000 0.555 82 N N 0.480 119.065 118.700 -0.192 0.000 2.223 82 N HA -0.078 4.675 4.740 0.022 0.000 0.185 82 N C 1.646 176.958 175.510 -0.330 0.000 1.016 82 N CA 1.129 54.029 53.050 -0.250 0.000 0.863 82 N CB -0.025 38.295 38.487 -0.278 0.000 0.983 82 N HN 0.522 nan 8.380 nan 0.000 0.429 83 R N -0.005 120.285 120.500 -0.349 0.000 2.073 83 R HA 0.041 4.394 4.340 0.022 0.000 0.229 83 R C 2.365 178.430 176.300 -0.390 0.000 1.120 83 R CA 1.209 57.082 56.100 -0.379 0.000 0.967 83 R CB -0.547 29.555 30.300 -0.330 0.000 0.862 83 R HN 0.203 nan 8.270 nan 0.000 0.436 84 G N 0.899 109.409 108.800 -0.483 0.000 2.421 84 G HA2 -0.230 3.743 3.960 0.022 0.000 0.216 84 G HA3 -0.230 3.743 3.960 0.022 0.000 0.216 84 G C 1.557 175.898 174.900 -0.931 0.000 1.171 84 G CA 0.877 45.478 45.100 -0.832 0.000 0.775 84 G HN 0.116 nan 8.290 nan 0.000 0.543 85 I N 0.596 120.720 120.570 -0.743 0.000 2.286 85 I HA -0.069 4.115 4.170 0.022 0.000 0.248 85 I C 2.678 178.650 176.117 -0.241 0.000 1.115 85 I CA 0.967 62.003 61.300 -0.440 0.000 1.392 85 I CB -0.920 36.947 38.000 -0.223 0.000 1.065 85 I HN 0.297 nan 8.210 nan 0.000 0.418 86 L N 0.524 121.603 121.223 -0.241 0.000 2.131 86 L HA -0.101 4.252 4.340 0.022 0.000 0.210 86 L C 2.454 179.247 176.870 -0.128 0.000 1.092 86 L CA 1.848 56.596 54.840 -0.153 0.000 0.759 86 L CB -0.638 41.305 42.059 -0.193 0.000 0.903 86 L HN 0.175 nan 8.230 nan 0.000 0.435 87 V N -0.429 119.361 119.914 -0.207 0.000 2.261 87 V HA -0.291 3.842 4.120 0.022 0.000 0.246 87 V C 2.514 178.574 176.094 -0.057 0.000 1.047 87 V CA 1.704 63.908 62.300 -0.159 0.000 1.015 87 V CB -0.634 31.043 31.823 -0.243 0.000 0.642 87 V HN 0.315 nan 8.190 nan 0.000 0.446 88 I N -0.064 120.443 120.570 -0.104 0.000 2.118 88 I HA -0.267 3.916 4.170 0.022 0.000 0.241 88 I C 2.419 178.683 176.117 0.246 0.000 1.070 88 I CA 2.002 63.353 61.300 0.084 0.000 1.327 88 I CB -1.204 36.840 38.000 0.073 0.000 1.034 88 I HN 0.276 nan 8.210 nan 0.000 0.405 89 L N -0.241 121.088 121.223 0.177 0.000 2.093 89 L HA -0.186 4.168 4.340 0.022 0.000 0.208 89 L C 2.584 179.625 176.870 0.285 0.000 1.085 89 L CA 0.839 55.839 54.840 0.266 0.000 0.755 89 L CB -0.421 41.745 42.059 0.179 0.000 0.904 89 L HN 0.166 nan 8.230 nan 0.000 0.435 90 I N -0.823 119.844 120.570 0.161 0.000 2.226 90 I HA -0.322 3.861 4.170 0.022 0.000 0.245 90 I C 2.554 178.779 176.117 0.180 0.000 1.100 90 I CA 1.712 63.091 61.300 0.131 0.000 1.374 90 I CB -0.878 37.147 38.000 0.042 0.000 1.057 90 I HN 0.260 nan 8.210 nan 0.000 0.413 91 Y N 1.936 122.284 120.300 0.080 0.000 2.114 91 Y HA -0.287 4.276 4.550 0.022 0.000 0.284 91 Y C 2.733 178.708 175.900 0.125 0.000 1.143 91 Y CA 2.300 60.452 58.100 0.086 0.000 1.135 91 Y CB -0.426 38.072 38.460 0.063 0.000 0.980 91 Y HN 0.247 nan 8.280 nan 0.000 0.499 92 E N -1.105 119.184 120.200 0.148 0.000 2.070 92 E HA -0.293 4.071 4.350 0.022 0.000 0.197 92 E C 1.842 178.350 176.600 -0.152 0.000 1.004 92 E CA 1.975 58.376 56.400 0.000 0.000 0.805 92 E CB -0.515 29.253 29.700 0.112 0.000 0.744 92 E HN 0.669 nan 8.360 nan 0.000 0.451 93 Y N -0.852 119.444 120.300 -0.008 0.000 2.519 93 Y HA -0.031 4.533 4.550 0.023 0.000 0.287 93 Y C 1.977 177.896 175.900 0.032 0.000 1.128 93 Y CA 0.311 58.414 58.100 0.005 0.000 1.282 93 Y CB 0.548 39.045 38.460 0.062 0.000 1.027 93 Y HN -0.006 nan 8.280 nan 0.000 0.551 94 V N -0.509 119.470 119.914 0.108 0.000 2.535 94 V HA -0.161 3.972 4.120 0.022 0.000 0.246 94 V C 2.215 178.299 176.094 -0.018 0.000 1.045 94 V CA 1.210 63.573 62.300 0.104 0.000 1.058 94 V CB -0.257 31.582 31.823 0.027 0.000 0.689 94 V HN 0.208 nan 8.190 nan 0.000 0.461 95 K N -0.072 120.215 120.400 -0.189 0.000 2.026 95 K HA -0.082 4.252 4.320 0.022 0.000 0.208 95 K C 1.026 177.533 176.600 -0.156 0.000 1.048 95 K CA 0.777 56.917 56.287 -0.245 0.000 0.929 95 K CB -0.484 31.731 32.500 -0.475 0.000 0.713 95 K HN 0.496 nan 8.250 nan 0.000 0.439 99 I N 1.843 122.400 120.570 -0.021 0.000 2.336 99 I HA 0.182 4.366 4.170 0.022 0.000 0.292 99 I C 0.497 176.662 176.117 0.080 0.000 0.991 99 I CA -0.439 60.904 61.300 0.073 0.000 1.227 99 I CB 0.979 39.089 38.000 0.183 0.000 1.366 99 I HN 0.253 nan 8.210 nan 0.000 0.466 100 N N 3.134 121.903 118.700 0.115 0.000 2.424 100 N HA 0.139 4.892 4.740 0.022 0.000 0.257 100 N C 1.051 176.662 175.510 0.167 0.000 1.250 100 N CA -0.126 52.986 53.050 0.103 0.000 0.946 100 N CB 0.636 39.175 38.487 0.087 0.000 1.175 100 N HN 0.605 nan 8.380 nan 0.000 0.477 101 S N 0.187 115.970 115.700 0.138 0.000 2.374 101 S HA -0.236 4.247 4.470 0.022 0.000 0.227 101 S C 1.593 176.318 174.600 0.208 0.000 1.037 101 S CA 1.322 59.631 58.200 0.182 0.000 1.024 101 S CB -0.995 62.277 63.200 0.121 0.000 0.861 101 S HN 0.567 nan 8.310 nan 0.000 0.456 102 S N 1.854 117.650 115.700 0.160 0.000 2.383 102 S HA -0.051 4.433 4.470 0.022 0.000 0.227 102 S C 1.927 176.622 174.600 0.158 0.000 1.026 102 S CA 1.239 59.527 58.200 0.146 0.000 0.981 102 S CB -0.363 62.906 63.200 0.114 0.000 0.818 102 S HN 0.661 nan 8.310 nan 0.000 0.472 103 E N -0.450 119.865 120.200 0.193 0.000 2.072 103 E HA -0.130 4.233 4.350 0.022 0.000 0.190 103 E C 1.669 178.381 176.600 0.187 0.000 0.982 103 E CA 0.808 57.337 56.400 0.214 0.000 0.803 103 E CB -0.115 29.778 29.700 0.321 0.000 0.755 103 E HN 0.574 nan 8.360 nan 0.000 0.453 104 W N 2.133 123.491 121.300 0.096 0.000 2.467 104 W HA -0.088 4.585 4.660 0.021 0.000 0.275 104 W C 2.051 178.599 176.519 0.049 0.000 1.239 104 W CA 1.132 58.521 57.345 0.074 0.000 1.266 104 W CB 0.154 29.687 29.460 0.121 0.000 1.112 104 W HN 0.075 nan 8.180 nan 0.000 0.576 105 E N 0.164 120.452 120.200 0.148 0.000 2.110 105 E HA -0.232 4.131 4.350 0.022 0.000 0.193 105 E C 1.852 178.405 176.600 -0.079 0.000 0.988 105 E CA 1.386 57.829 56.400 0.072 0.000 0.804 105 E CB -0.016 29.753 29.700 0.115 0.000 0.745 105 E HN 0.228 nan 8.360 nan 0.000 0.458 106 K N 0.047 120.391 120.400 -0.094 0.000 2.062 106 K HA -0.028 4.305 4.320 0.022 0.000 0.205 106 K C 2.163 178.567 176.600 -0.327 0.000 1.051 106 K CA 0.907 57.104 56.287 -0.150 0.000 0.941 106 K CB -0.062 32.392 32.500 -0.077 0.000 0.719 106 K HN 0.097 nan 8.250 nan 0.000 0.440 107 A N 1.665 124.181 122.820 -0.507 0.000 1.877 107 A HA -0.118 4.215 4.320 0.022 0.000 0.216 107 A C 2.395 179.634 177.584 -0.575 0.000 1.186 107 A CA 1.905 53.542 52.037 -0.666 0.000 0.620 107 A CB -0.805 17.660 19.000 -0.890 0.000 0.822 107 A HN 0.318 nan 8.150 nan 0.000 0.443 108 A N -1.204 121.220 122.820 -0.660 0.000 1.972 108 A HA -0.171 4.162 4.320 0.022 0.000 0.219 108 A C 2.351 179.643 177.584 -0.487 0.000 1.169 108 A CA 1.642 53.406 52.037 -0.456 0.000 0.635 108 A CB -1.368 17.432 19.000 -0.333 0.000 0.810 108 A HN 0.816 nan 8.150 nan 0.000 0.446 109 C N -0.367 118.463 119.300 -0.783 0.000 2.436 109 C HA -0.059 4.415 4.460 0.022 0.000 0.277 109 C C 2.590 177.276 174.990 -0.506 0.000 1.241 109 C CA 1.264 59.615 59.018 -1.112 0.000 1.721 109 C CB -1.472 25.818 27.740 -0.751 0.000 2.043 109 C HN 0.592 nan 8.230 nan 0.000 0.472 110 L N 1.209 122.247 121.223 -0.309 0.000 2.046 110 L HA -0.073 4.280 4.340 0.022 0.000 0.208 110 L C 3.070 179.894 176.870 -0.077 0.000 1.077 110 L CA 1.660 56.435 54.840 -0.109 0.000 0.747 110 L CB -0.979 41.041 42.059 -0.065 0.000 0.896 110 L HN 0.482 nan 8.230 nan 0.000 0.432 111 A N -0.482 122.218 122.820 -0.200 0.000 1.877 111 A HA -0.242 4.091 4.320 0.022 0.000 0.216 111 A C 1.955 179.483 177.584 -0.093 0.000 1.186 111 A CA 1.548 53.429 52.037 -0.259 0.000 0.620 111 A CB -0.976 17.738 19.000 -0.477 0.000 0.822 111 A HN 0.521 nan 8.150 nan 0.000 0.443 112 W N -0.852 120.514 121.300 0.110 0.000 2.436 112 W HA -0.124 4.550 4.660 0.023 0.000 0.284 112 W C 2.525 179.055 176.519 0.017 0.000 1.225 112 W CA 0.827 58.236 57.345 0.108 0.000 1.271 112 W CB -0.382 29.040 29.460 -0.063 0.000 1.114 112 W HN 0.360 nan 8.180 nan 0.000 0.559 113 C N -0.277 119.088 119.300 0.109 0.000 2.425 113 C HA -0.180 4.293 4.460 0.022 0.000 0.277 113 C C 2.461 177.553 174.990 0.170 0.000 1.280 113 C CA 0.787 59.820 59.018 0.026 0.000 1.744 113 C CB -1.317 26.297 27.740 -0.211 0.000 1.989 113 C HN 0.295 nan 8.230 nan 0.000 0.491 114 I N 0.426 121.117 120.570 0.202 0.000 2.439 114 I HA -0.112 4.071 4.170 0.022 0.000 0.251 114 I C 2.455 178.637 176.117 0.109 0.000 1.139 114 I CA 1.122 62.510 61.300 0.147 0.000 1.438 114 I CB -0.477 37.515 38.000 -0.013 0.000 1.085 114 I HN 0.288 nan 8.210 nan 0.000 0.427 115 E N 0.812 121.084 120.200 0.119 0.000 2.152 115 E HA -0.101 4.262 4.350 0.022 0.000 0.192 115 E C 2.261 178.994 176.600 0.223 0.000 0.983 115 E CA 1.088 57.587 56.400 0.165 0.000 0.818 115 E CB -0.055 29.742 29.700 0.163 0.000 0.758 115 E HN 0.532 nan 8.360 nan 0.000 0.467 116 I N 0.465 121.175 120.570 0.232 0.000 2.353 116 I HA -0.229 3.955 4.170 0.022 0.000 0.248 116 I C 2.355 178.466 176.117 -0.010 0.000 1.119 116 I CA 0.379 61.758 61.300 0.132 0.000 1.417 116 I CB -0.100 37.986 38.000 0.143 0.000 1.078 116 I HN 0.068 nan 8.210 nan 0.000 0.421 117 L N 0.777 121.985 121.223 -0.024 0.000 2.046 117 L HA -0.239 4.114 4.340 0.022 0.000 0.208 117 L C 2.517 179.202 176.870 -0.308 0.000 1.077 117 L CA 1.884 56.597 54.840 -0.211 0.000 0.747 117 L CB -0.681 41.323 42.059 -0.091 0.000 0.896 117 L HN 0.221 nan 8.230 nan 0.000 0.432 118 Q N -0.158 119.653 119.800 0.018 0.000 2.050 118 Q HA -0.169 4.184 4.340 0.022 0.000 0.202 118 Q C 2.147 178.209 176.000 0.103 0.000 0.980 118 Q CA 2.323 58.238 55.803 0.186 0.000 0.840 118 Q CB -0.540 28.334 28.738 0.227 0.000 0.898 118 Q HN 0.550 nan 8.270 nan 0.000 0.424 119 A N 0.481 123.331 122.820 0.050 0.000 1.908 119 A HA -0.077 4.256 4.320 0.022 0.000 0.218 119 A C 2.341 179.913 177.584 -0.020 0.000 1.181 119 A CA 2.115 54.162 52.037 0.017 0.000 0.627 119 A CB -1.319 17.672 19.000 -0.014 0.000 0.818 119 A HN 0.585 nan 8.150 nan 0.000 0.445 120 A N -1.065 121.705 122.820 -0.085 0.000 1.902 120 A HA 0.017 4.350 4.320 0.022 0.000 0.217 120 A C 1.910 179.522 177.584 0.046 0.000 1.181 120 A CA 1.616 53.610 52.037 -0.072 0.000 0.623 120 A CB -0.714 18.208 19.000 -0.130 0.000 0.818 120 A HN 0.434 nan 8.150 nan 0.000 0.443 121 F N 0.060 119.996 119.950 -0.023 0.000 2.186 121 F HA -0.040 4.500 4.527 0.022 0.000 0.299 121 F C 2.095 177.886 175.800 -0.014 0.000 1.090 121 F CA 0.529 58.484 58.000 -0.074 0.000 1.307 121 F CB -0.885 37.984 39.000 -0.218 0.000 1.019 121 F HN 0.095 nan 8.300 nan 0.000 0.489 122 L N -1.248 120.102 121.223 0.212 0.000 2.109 122 L HA -0.147 4.207 4.340 0.022 0.000 0.207 122 L C 2.364 179.329 176.870 0.157 0.000 1.086 122 L CA 0.473 55.413 54.840 0.167 0.000 0.760 122 L CB -0.789 41.363 42.059 0.155 0.000 0.910 122 L HN -0.086 nan 8.230 nan 0.000 0.437 123 V N 0.290 120.294 119.914 0.150 0.000 2.295 123 V HA -0.292 3.842 4.120 0.022 0.000 0.246 123 V C 2.782 178.964 176.094 0.147 0.000 1.049 123 V CA 1.923 64.335 62.300 0.187 0.000 1.024 123 V CB -0.839 31.080 31.823 0.159 0.000 0.648 123 V HN 0.471 nan 8.190 nan 0.000 0.447 124 A N 0.076 122.966 122.820 0.117 0.000 1.877 124 A HA -0.307 4.027 4.320 0.022 0.000 0.216 124 A C 2.046 179.642 177.584 0.020 0.000 1.186 124 A CA 2.221 54.300 52.037 0.070 0.000 0.620 124 A CB -0.787 18.271 19.000 0.096 0.000 0.822 124 A HN 0.624 nan 8.150 nan 0.000 0.443 125 D N -0.383 120.043 120.400 0.045 0.000 2.144 125 D HA -0.162 4.491 4.640 0.022 0.000 0.199 125 D C 1.239 177.541 176.300 0.002 0.000 0.984 125 D CA 1.534 55.546 54.000 0.020 0.000 0.834 125 D CB -0.099 40.729 40.800 0.047 0.000 0.955 125 D HN 0.377 nan 8.370 nan 0.000 0.465 126 D N -0.380 120.036 120.400 0.027 0.000 2.144 126 D HA -0.088 4.565 4.640 0.022 0.000 0.200 126 D C 2.203 178.314 176.300 -0.314 0.000 0.978 126 D CA 0.548 54.561 54.000 0.022 0.000 0.833 126 D CB -0.110 40.821 40.800 0.219 0.000 0.961 126 D HN 0.395 nan 8.370 nan 0.000 0.470 127 I N 0.441 120.742 120.570 -0.449 0.000 2.142 127 I HA -0.255 3.928 4.170 0.022 0.000 0.240 127 I C 2.565 178.476 176.117 -0.342 0.000 1.078 127 I CA 0.896 61.791 61.300 -0.674 0.000 1.343 127 I CB -0.176 37.627 38.000 -0.329 0.000 1.046 127 I HN -0.074 nan 8.210 nan 0.000 0.405 128 M N 0.094 119.591 119.600 -0.170 0.000 2.065 128 M HA -0.232 4.261 4.480 0.022 0.000 0.259 128 M C 1.264 177.523 176.300 -0.067 0.000 1.069 128 M CA 1.788 57.033 55.300 -0.091 0.000 1.110 128 M CB -0.418 32.149 32.600 -0.055 0.000 1.328 128 M HN 0.123 nan 8.290 nan 0.000 0.405 129 D N 0.047 120.418 120.400 -0.048 0.000 2.340 129 D HA 0.062 4.715 4.640 0.022 0.000 0.220 129 D C -0.141 176.168 176.300 0.015 0.000 1.039 129 D CA 0.285 54.281 54.000 -0.006 0.000 0.866 129 D CB -0.010 40.801 40.800 0.018 0.000 0.913 129 D HN 0.197 nan 8.370 nan 0.000 0.523 130 K N 0.343 120.733 120.400 -0.016 0.000 3.257 130 K HA -0.134 4.200 4.320 0.022 0.000 0.270 130 K C 0.641 177.359 176.600 0.197 0.000 0.984 130 K CA 0.345 56.683 56.287 0.086 0.000 0.739 130 K CB -1.479 31.077 32.500 0.094 0.000 1.351 130 K HN 0.259 nan 8.250 nan 0.000 0.463 131 G N 0.108 109.040 108.800 0.219 0.000 2.636 131 G HA2 0.320 4.294 3.960 0.022 0.000 0.246 131 G HA3 0.320 4.294 3.960 0.022 0.000 0.246 131 G C 0.839 175.920 174.900 0.302 0.000 1.216 131 G CA 0.347 45.590 45.100 0.238 0.000 0.854 131 G HN 0.452 nan 8.290 nan 0.000 0.572 132 E N -0.240 120.081 120.200 0.202 0.000 2.306 132 E HA 0.383 4.746 4.350 0.022 0.000 0.201 132 E C 0.955 177.661 176.600 0.176 0.000 0.874 132 E CA 0.412 56.915 56.400 0.172 0.000 0.972 132 E CB 0.163 29.940 29.700 0.127 0.000 0.957 132 E HN 0.399 nan 8.360 nan 0.000 0.492 133 M N -0.087 119.595 119.600 0.137 0.000 2.530 133 M HA 0.753 5.246 4.480 0.022 0.000 0.307 133 M C -1.170 175.197 176.300 0.113 0.000 1.161 133 M CA -0.966 54.393 55.300 0.099 0.000 0.903 133 M CB 2.095 34.710 32.600 0.026 0.000 1.711 133 M HN 0.202 nan 8.290 nan 0.000 0.451 134 R N 1.117 121.681 120.500 0.107 0.000 2.510 134 R HA 0.501 4.855 4.340 0.022 0.000 0.287 134 R C -0.878 175.448 176.300 0.043 0.000 1.084 134 R CA -0.222 55.937 56.100 0.099 0.000 0.934 134 R CB 0.942 31.337 30.300 0.157 0.000 1.201 134 R HN 0.694 nan 8.270 nan 0.000 0.431 135 R N 3.050 123.563 120.500 0.022 0.000 3.422 135 R HA -0.287 4.067 4.340 0.022 0.000 0.267 135 R C 0.197 176.474 176.300 -0.038 0.000 1.074 135 R CA 1.133 57.227 56.100 -0.010 0.000 0.718 135 R CB -2.477 27.807 30.300 -0.028 0.000 1.157 135 R HN 1.180 nan 8.270 nan 0.000 0.440 136 N N -0.847 117.835 118.700 -0.031 0.000 2.800 136 N HA -0.286 4.468 4.740 0.022 0.000 0.250 136 N C 0.005 175.458 175.510 -0.095 0.000 1.078 136 N CA 2.163 55.181 53.050 -0.054 0.000 0.804 136 N CB -1.269 37.189 38.487 -0.048 0.000 1.135 136 N HN 0.806 nan 8.380 nan 0.000 0.565 137 K N -1.897 118.452 120.400 -0.085 0.000 2.482 137 K HA 0.640 4.973 4.320 0.022 0.000 0.257 137 K C -0.595 176.018 176.600 0.022 0.000 0.969 137 K CA -0.955 55.272 56.287 -0.101 0.000 0.842 137 K CB 1.368 33.812 32.500 -0.094 0.000 1.359 137 K HN 0.167 nan 8.250 nan 0.000 0.441 138 Y N 0.557 120.950 120.300 0.156 0.000 2.811 138 Y HA -0.103 4.461 4.550 0.024 0.000 0.334 138 Y C 0.675 176.729 175.900 0.257 0.000 1.247 138 Y CA -0.514 57.678 58.100 0.154 0.000 1.526 138 Y CB 0.220 38.741 38.460 0.102 0.000 1.284 138 Y HN 0.435 nan 8.280 nan 0.000 0.586 139 C N 4.414 123.927 119.300 0.355 0.000 2.657 139 C HA -0.189 4.285 4.460 0.022 0.000 0.420 139 C C 2.047 177.259 174.990 0.370 0.000 1.323 139 C CA -0.907 58.345 59.018 0.391 0.000 1.894 139 C CB -0.356 27.643 27.740 0.432 0.000 2.681 139 C HN 1.133 nan 8.230 nan 0.000 0.613 140 W N 2.459 123.919 121.300 0.267 0.000 2.304 140 W HA -0.259 4.414 4.660 0.022 0.000 0.315 140 W C 2.067 178.609 176.519 0.039 0.000 1.233 140 W CA 2.328 59.716 57.345 0.073 0.000 1.261 140 W CB -0.449 29.083 29.460 0.120 0.000 1.150 140 W HN 1.016 nan 8.180 nan 0.000 0.494 141 Y N -0.060 120.273 120.300 0.055 0.000 2.497 141 Y HA -0.073 4.490 4.550 0.022 0.000 0.292 141 Y C 1.987 177.818 175.900 -0.115 0.000 1.137 141 Y CA 1.392 59.451 58.100 -0.068 0.000 1.285 141 Y CB -1.174 37.316 38.460 0.051 0.000 0.991 141 Y HN -0.113 nan 8.280 nan 0.000 0.556 142 L N 0.094 120.893 121.223 -0.708 0.000 2.341 142 L HA 0.056 4.410 4.340 0.022 0.000 0.214 142 L C 0.332 176.946 176.870 -0.427 0.000 1.115 142 L CA -0.204 54.253 54.840 -0.638 0.000 0.820 142 L CB -0.192 41.527 42.059 -0.565 0.000 0.944 142 L HN 0.133 nan 8.230 nan 0.000 0.452 143 L N 0.472 121.444 121.223 -0.419 0.000 2.499 143 L HA -0.104 4.249 4.340 0.022 0.000 0.273 143 L C 1.674 178.330 176.870 -0.356 0.000 1.195 143 L CA 0.773 55.365 54.840 -0.414 0.000 0.882 143 L CB 0.674 42.403 42.059 -0.549 0.000 1.133 143 L HN -0.127 nan 8.230 nan 0.000 0.483 144 K N 1.555 121.788 120.400 -0.278 0.000 2.074 144 K HA -0.160 4.173 4.320 0.022 0.000 0.209 144 K C 1.046 177.533 176.600 -0.188 0.000 1.048 144 K CA 1.998 58.162 56.287 -0.205 0.000 0.926 144 K CB -0.303 32.099 32.500 -0.163 0.000 0.713 144 K HN 0.791 nan 8.250 nan 0.000 0.444 145 D N -0.561 119.713 120.400 -0.209 0.000 2.349 145 D HA 0.061 4.715 4.640 0.022 0.000 0.224 145 D C 1.248 177.441 176.300 -0.178 0.000 1.029 145 D CA 0.623 54.527 54.000 -0.160 0.000 0.879 145 D CB 0.587 41.314 40.800 -0.122 0.000 0.906 145 D HN 0.272 nan 8.370 nan 0.000 0.528 146 V N -0.211 119.516 119.914 -0.311 0.000 3.240 146 V HA 0.078 4.212 4.120 0.022 0.000 0.218 146 V C 0.279 176.247 176.094 -0.209 0.000 1.190 146 V CA -0.086 62.001 62.300 -0.355 0.000 1.280 146 V CB 0.178 31.446 31.823 -0.924 0.000 1.244 146 V HN 0.093 nan 8.190 nan 0.000 0.512 147 E N -0.474 119.596 120.200 -0.217 0.000 9.214 147 E HA -0.222 4.141 4.350 0.022 0.000 0.465 147 E C 0.734 177.339 176.600 0.009 0.000 1.407 147 E CA 0.472 56.814 56.400 -0.096 0.000 2.446 147 E CB -0.909 28.749 29.700 -0.070 0.000 1.031 147 E HN 0.417 nan 8.360 nan 0.000 0.329 148 T N 0.732 115.344 114.554 0.096 0.000 2.665 148 T HA -0.275 4.089 4.350 0.022 0.000 0.268 148 T C 1.757 176.509 174.700 0.088 0.000 1.035 148 T CA 2.211 64.395 62.100 0.140 0.000 1.151 148 T CB -0.312 68.632 68.868 0.126 0.000 0.862 148 T HN 0.482 nan 8.240 nan 0.000 0.438 149 K N 1.574 122.005 120.400 0.052 0.000 2.001 149 K HA -0.194 4.139 4.320 0.022 0.000 0.214 149 K C 2.062 178.702 176.600 0.066 0.000 1.050 149 K CA 1.809 58.122 56.287 0.044 0.000 0.934 149 K CB -0.471 32.039 32.500 0.017 0.000 0.718 149 K HN 0.218 nan 8.250 nan 0.000 0.443 150 N N 1.232 119.967 118.700 0.058 0.000 2.142 150 N HA -0.099 4.654 4.740 0.022 0.000 0.186 150 N C 2.079 177.729 175.510 0.232 0.000 1.023 150 N CA 1.486 54.604 53.050 0.114 0.000 0.852 150 N CB -0.372 38.168 38.487 0.089 0.000 0.998 150 N HN 0.430 nan 8.380 nan 0.000 0.424 151 A N 1.137 124.087 122.820 0.217 0.000 1.917 151 A HA -0.120 4.213 4.320 0.022 0.000 0.219 151 A C 2.574 180.318 177.584 0.267 0.000 1.182 151 A CA 1.427 53.669 52.037 0.342 0.000 0.633 151 A CB -0.852 18.338 19.000 0.315 0.000 0.819 151 A HN 0.113 nan 8.150 nan 0.000 0.448 152 V N 0.588 120.606 119.914 0.174 0.000 2.295 152 V HA -0.269 3.864 4.120 0.022 0.000 0.246 152 V C 2.442 178.625 176.094 0.148 0.000 1.049 152 V CA 2.392 64.769 62.300 0.129 0.000 1.024 152 V CB -1.040 30.834 31.823 0.086 0.000 0.648 152 V HN 0.716 nan 8.190 nan 0.000 0.447 153 N N 0.252 119.052 118.700 0.166 0.000 2.166 153 N HA -0.162 4.592 4.740 0.022 0.000 0.186 153 N C 1.430 177.084 175.510 0.241 0.000 1.019 153 N CA 1.419 54.579 53.050 0.183 0.000 0.856 153 N CB -0.236 38.355 38.487 0.174 0.000 0.993 153 N HN 0.442 nan 8.380 nan 0.000 0.426 154 D N -0.729 119.853 120.400 0.303 0.000 2.178 154 D HA -0.071 4.583 4.640 0.022 0.000 0.202 154 D C 1.960 178.374 176.300 0.189 0.000 0.974 154 D CA 0.464 54.666 54.000 0.337 0.000 0.841 154 D CB -0.206 40.882 40.800 0.479 0.000 0.953 154 D HN 0.088 nan 8.370 nan 0.000 0.478 155 V N 0.954 120.969 119.914 0.168 0.000 2.295 155 V HA -0.214 3.919 4.120 0.022 0.000 0.246 155 V C 2.625 178.799 176.094 0.133 0.000 1.049 155 V CA 1.164 63.533 62.300 0.115 0.000 1.024 155 V CB -0.455 31.435 31.823 0.111 0.000 0.648 155 V HN 0.210 nan 8.190 nan 0.000 0.447 156 L N -0.640 120.677 121.223 0.156 0.000 2.083 156 L HA -0.169 4.185 4.340 0.022 0.000 0.209 156 L C 2.459 179.447 176.870 0.196 0.000 1.083 156 L CA 1.102 56.055 54.840 0.188 0.000 0.752 156 L CB -0.447 41.709 42.059 0.162 0.000 0.899 156 L HN 0.348 nan 8.230 nan 0.000 0.433 157 L N 0.012 121.340 121.223 0.175 0.000 2.005 157 L HA -0.203 4.151 4.340 0.022 0.000 0.207 157 L C 2.462 179.348 176.870 0.026 0.000 1.072 157 L CA 1.884 56.816 54.840 0.153 0.000 0.744 157 L CB -0.559 41.638 42.059 0.229 0.000 0.895 157 L HN 0.237 nan 8.230 nan 0.000 0.433 158 L N -1.091 120.102 121.223 -0.049 0.000 2.042 158 L HA -0.305 4.049 4.340 0.022 0.000 0.210 158 L C 2.624 179.431 176.870 -0.105 0.000 1.076 158 L CA 1.622 56.337 54.840 -0.208 0.000 0.749 158 L CB -0.809 41.100 42.059 -0.250 0.000 0.893 158 L HN 0.276 nan 8.230 nan 0.000 0.432 159 Y N 0.950 121.193 120.300 -0.095 0.000 2.145 159 Y HA -0.250 4.314 4.550 0.022 0.000 0.286 159 Y C 2.515 178.440 175.900 0.042 0.000 1.145 159 Y CA 1.663 59.737 58.100 -0.043 0.000 1.148 159 Y CB -0.290 38.182 38.460 0.020 0.000 0.981 159 Y HN 0.208 nan 8.280 nan 0.000 0.507 160 N N -0.296 118.396 118.700 -0.014 0.000 2.396 160 N HA -0.130 4.623 4.740 0.022 0.000 0.180 160 N C 2.038 177.490 175.510 -0.096 0.000 1.028 160 N CA 1.208 54.260 53.050 0.002 0.000 0.893 160 N CB -0.308 38.247 38.487 0.113 0.000 0.967 160 N HN 0.524 nan 8.380 nan 0.000 0.440 161 S N 0.977 116.489 115.700 -0.313 0.000 2.399 161 S HA -0.062 4.421 4.470 0.022 0.000 0.231 161 S C 2.054 176.376 174.600 -0.462 0.000 1.022 161 S CA 0.475 58.225 58.200 -0.749 0.000 0.983 161 S CB -0.502 62.016 63.200 -1.137 0.000 0.803 161 S HN 0.198 nan 8.310 nan 0.000 0.480 162 I N 0.293 120.595 120.570 -0.446 0.000 2.163 162 I HA -0.199 3.985 4.170 0.022 0.000 0.243 162 I C 2.301 178.014 176.117 -0.673 0.000 1.085 162 I CA 1.741 62.673 61.300 -0.614 0.000 1.347 162 I CB -0.481 36.998 38.000 -0.869 0.000 1.044 162 I HN 0.265 nan 8.210 nan 0.000 0.408 163 Y N 0.343 120.410 120.300 -0.388 0.000 2.314 163 Y HA -0.197 4.366 4.550 0.023 0.000 0.293 163 Y C 2.462 178.276 175.900 -0.143 0.000 1.129 163 Y CA 1.052 58.984 58.100 -0.280 0.000 1.201 163 Y CB -0.416 37.890 38.460 -0.257 0.000 0.999 163 Y HN 0.021 nan 8.280 nan 0.000 0.541 164 K N 0.919 121.314 120.400 -0.007 0.000 2.057 164 K HA -0.080 4.253 4.320 0.022 0.000 0.206 164 K C 1.749 178.347 176.600 -0.003 0.000 1.050 164 K CA 1.290 57.574 56.287 -0.006 0.000 0.935 164 K CB -0.675 31.858 32.500 0.056 0.000 0.715 164 K HN 0.309 nan 8.250 nan 0.000 0.439 165 L N 0.163 121.375 121.223 -0.018 0.000 2.056 165 L HA -0.107 4.246 4.340 0.022 0.000 0.207 165 L C 2.265 179.186 176.870 0.084 0.000 1.078 165 L CA 1.139 56.019 54.840 0.066 0.000 0.749 165 L CB -0.334 41.725 42.059 -0.001 0.000 0.901 165 L HN 0.148 nan 8.230 nan 0.000 0.433 166 I N -0.479 120.063 120.570 -0.046 0.000 2.226 166 I HA -0.293 3.890 4.170 0.022 0.000 0.245 166 I C 2.591 178.815 176.117 0.178 0.000 1.100 166 I CA 1.294 62.611 61.300 0.029 0.000 1.374 166 I CB -0.343 37.598 38.000 -0.098 0.000 1.057 166 I HN 0.335 nan 8.210 nan 0.000 0.413 167 E N 1.738 122.037 120.200 0.165 0.000 2.031 167 E HA -0.237 4.127 4.350 0.022 0.000 0.193 167 E C 2.353 178.890 176.600 -0.105 0.000 0.994 167 E CA 1.582 58.020 56.400 0.063 0.000 0.800 167 E CB -0.083 29.666 29.700 0.080 0.000 0.752 167 E HN 0.430 nan 8.360 nan 0.000 0.447 168 I N -0.222 120.278 120.570 -0.116 0.000 2.194 168 I HA -0.294 3.889 4.170 0.022 0.000 0.246 168 I C 1.639 177.499 176.117 -0.428 0.000 1.093 168 I CA 1.427 62.547 61.300 -0.301 0.000 1.355 168 I CB -0.175 37.593 38.000 -0.385 0.000 1.046 168 I HN 0.240 nan 8.210 nan 0.000 0.413 169 Y N -1.398 118.885 120.300 -0.028 0.000 2.442 169 Y HA 0.236 4.800 4.550 0.023 0.000 0.250 169 Y C 1.339 177.212 175.900 -0.045 0.000 1.113 169 Y CA 0.026 58.117 58.100 -0.016 0.000 1.273 169 Y CB 0.535 39.012 38.460 0.028 0.000 1.138 169 Y HN -0.012 nan 8.280 nan 0.000 0.522 170 L N -0.604 120.637 121.223 0.029 0.000 3.360 170 L HA 0.206 4.560 4.340 0.022 0.000 0.303 170 L C 2.028 178.715 176.870 -0.305 0.000 1.218 170 L CA 0.030 54.865 54.840 -0.010 0.000 1.059 170 L CB 0.116 42.258 42.059 0.138 0.000 1.468 170 L HN -0.010 nan 8.230 nan 0.000 0.614 171 R N -0.076 120.033 120.500 -0.651 0.000 2.139 171 R HA -0.150 4.203 4.340 0.022 0.000 0.243 171 R C 0.670 176.586 176.300 -0.641 0.000 1.145 171 R CA 2.249 57.606 56.100 -1.237 0.000 0.976 171 R CB -0.696 29.167 30.300 -0.728 0.000 0.866 171 R HN 0.411 nan 8.270 nan 0.000 0.449 172 N N 0.261 118.782 118.700 -0.299 0.000 2.280 172 N HA 0.037 4.791 4.740 0.022 0.000 0.192 172 N C -0.592 174.887 175.510 -0.051 0.000 1.109 172 N CA -0.200 52.769 53.050 -0.134 0.000 0.855 172 N CB 0.384 38.818 38.487 -0.088 0.000 0.974 172 N HN 0.185 nan 8.380 nan 0.000 0.482 173 E N 0.413 120.594 120.200 -0.032 0.000 2.343 173 E HA 0.050 4.414 4.350 0.022 0.000 0.269 173 E C 0.894 177.552 176.600 0.097 0.000 1.047 173 E CA -0.029 56.402 56.400 0.051 0.000 0.874 173 E CB 1.244 30.992 29.700 0.080 0.000 1.033 173 E HN 0.207 nan 8.360 nan 0.000 0.409 174 S N 0.332 116.087 115.700 0.092 0.000 2.402 174 S HA -0.162 4.321 4.470 0.022 0.000 0.229 174 S C 1.992 176.662 174.600 0.117 0.000 1.021 174 S CA 1.119 59.377 58.200 0.097 0.000 0.974 174 S CB -0.672 62.575 63.200 0.079 0.000 0.800 174 S HN 0.705 nan 8.310 nan 0.000 0.484 175 C N -0.706 118.669 119.300 0.125 0.000 2.522 175 C HA 0.260 4.733 4.460 0.022 0.000 0.271 175 C C 2.144 177.221 174.990 0.144 0.000 1.425 175 C CA -0.370 58.718 59.018 0.117 0.000 1.751 175 C CB -2.124 25.682 27.740 0.109 0.000 1.775 175 C HN 0.492 nan 8.230 nan 0.000 0.557 176 Y N 2.993 123.317 120.300 0.040 0.000 2.002 176 Y HA -0.269 4.295 4.550 0.022 0.000 0.268 176 Y C 2.391 178.320 175.900 0.048 0.000 1.177 176 Y CA 2.483 60.606 58.100 0.038 0.000 1.111 176 Y CB -0.915 37.563 38.460 0.030 0.000 0.952 176 Y HN 0.246 nan 8.280 nan 0.000 0.491 177 V N 0.724 120.585 119.914 -0.089 0.000 2.332 177 V HA -0.316 3.818 4.120 0.022 0.000 0.248 177 V C 2.170 178.208 176.094 -0.093 0.000 1.055 177 V CA 2.252 64.449 62.300 -0.172 0.000 1.038 177 V CB -0.737 31.060 31.823 -0.043 0.000 0.651 177 V HN 0.439 nan 8.190 nan 0.000 0.450 178 D N -0.128 120.256 120.400 -0.027 0.000 2.144 178 D HA -0.109 4.545 4.640 0.022 0.000 0.200 178 D C 2.195 178.493 176.300 -0.004 0.000 0.978 178 D CA 1.130 55.118 54.000 -0.020 0.000 0.833 178 D CB -0.170 40.617 40.800 -0.022 0.000 0.961 178 D HN 0.338 nan 8.370 nan 0.000 0.470 179 V N 2.292 122.219 119.914 0.022 0.000 2.295 179 V HA -0.216 3.918 4.120 0.022 0.000 0.246 179 V C 2.584 178.793 176.094 0.193 0.000 1.049 179 V CA 1.458 63.818 62.300 0.100 0.000 1.024 179 V CB -0.543 31.353 31.823 0.122 0.000 0.648 179 V HN 0.280 nan 8.190 nan 0.000 0.447 180 I N -0.669 119.930 120.570 0.048 0.000 2.546 180 I HA -0.038 4.145 4.170 0.022 0.000 0.255 180 I C 2.340 178.584 176.117 0.211 0.000 1.163 180 I CA 1.654 63.033 61.300 0.132 0.000 1.457 180 I CB -0.687 37.291 38.000 -0.036 0.000 1.092 180 I HN 0.143 nan 8.210 nan 0.000 0.434 181 A N 1.556 124.432 122.820 0.093 0.000 1.968 181 A HA -0.076 4.257 4.320 0.022 0.000 0.217 181 A C 2.320 179.984 177.584 0.135 0.000 1.169 181 A CA 2.094 54.185 52.037 0.090 0.000 0.638 181 A CB -1.112 17.907 19.000 0.031 0.000 0.812 181 A HN 0.501 nan 8.150 nan 0.000 0.446 182 T N -0.600 114.026 114.554 0.120 0.000 2.737 182 T HA -0.093 4.271 4.350 0.022 0.000 0.265 182 T C 1.543 176.312 174.700 0.116 0.000 1.038 182 T CA 1.521 63.666 62.100 0.076 0.000 1.144 182 T CB -0.425 68.406 68.868 -0.060 0.000 0.866 182 T HN 0.402 nan 8.240 nan 0.000 0.434 183 F N 1.343 121.354 119.950 0.101 0.000 2.102 183 F HA -0.029 4.512 4.527 0.023 0.000 0.298 183 F C 2.719 178.686 175.800 0.278 0.000 1.105 183 F CA 1.191 59.275 58.000 0.139 0.000 1.239 183 F CB -0.231 38.764 39.000 -0.009 0.000 0.991 183 F HN -0.043 nan 8.300 nan 0.000 0.474 184 R N 0.499 121.294 120.500 0.492 0.000 2.073 184 R HA -0.171 4.182 4.340 0.022 0.000 0.234 184 R C 1.690 178.143 176.300 0.255 0.000 1.134 184 R CA 2.135 58.465 56.100 0.385 0.000 0.952 184 R CB -0.476 29.961 30.300 0.228 0.000 0.850 184 R HN 0.183 nan 8.270 nan 0.000 0.433 185 D N 0.106 120.621 120.400 0.191 0.000 2.149 185 D HA -0.059 4.595 4.640 0.022 0.000 0.201 185 D C 1.674 178.046 176.300 0.120 0.000 0.972 185 D CA 1.331 55.403 54.000 0.120 0.000 0.835 185 D CB -0.154 40.703 40.800 0.095 0.000 0.966 185 D HN 0.367 nan 8.370 nan 0.000 0.476 186 A N 0.219 123.165 122.820 0.210 0.000 1.969 186 A HA -0.113 4.220 4.320 0.022 0.000 0.218 186 A C 2.312 180.065 177.584 0.283 0.000 1.169 186 A CA 1.674 53.876 52.037 0.274 0.000 0.635 186 A CB -0.691 18.499 19.000 0.316 0.000 0.810 186 A HN 0.173 nan 8.150 nan 0.000 0.445 187 T N 0.391 115.140 114.554 0.324 0.000 2.737 187 T HA -0.052 4.311 4.350 0.022 0.000 0.265 187 T C 1.828 176.629 174.700 0.169 0.000 1.038 187 T CA 1.327 63.652 62.100 0.376 0.000 1.144 187 T CB -0.359 68.786 68.868 0.463 0.000 0.866 187 T HN 0.347 nan 8.240 nan 0.000 0.434 188 L N 0.525 121.819 121.223 0.118 0.000 2.042 188 L HA -0.152 4.202 4.340 0.022 0.000 0.210 188 L C 2.671 179.541 176.870 -0.001 0.000 1.076 188 L CA 1.501 56.362 54.840 0.035 0.000 0.749 188 L CB -0.399 41.676 42.059 0.027 0.000 0.893 188 L HN 0.236 nan 8.230 nan 0.000 0.432 189 K N -0.922 119.474 120.400 -0.006 0.000 2.097 189 K HA -0.113 4.220 4.320 0.022 0.000 0.205 189 K C 2.026 178.657 176.600 0.052 0.000 1.050 189 K CA 1.695 57.979 56.287 -0.005 0.000 0.938 189 K CB -0.217 32.125 32.500 -0.264 0.000 0.718 189 K HN 0.314 nan 8.250 nan 0.000 0.442 190 T N 1.811 116.373 114.554 0.014 0.000 2.746 190 T HA -0.099 4.265 4.350 0.022 0.000 0.267 190 T C 1.932 176.497 174.700 -0.224 0.000 1.039 190 T CA 1.115 63.128 62.100 -0.144 0.000 1.142 190 T CB -0.197 68.397 68.868 -0.457 0.000 0.866 190 T HN 0.121 nan 8.240 nan 0.000 0.444 191 I N 0.820 121.283 120.570 -0.178 0.000 2.179 191 I HA -0.156 4.027 4.170 0.022 0.000 0.242 191 I C 2.152 178.236 176.117 -0.056 0.000 1.088 191 I CA 0.923 62.143 61.300 -0.133 0.000 1.357 191 I CB -0.399 37.549 38.000 -0.087 0.000 1.051 191 I HN 0.168 nan 8.210 nan 0.000 0.409 192 I N 0.967 121.513 120.570 -0.040 0.000 2.226 192 I HA -0.180 4.003 4.170 0.022 0.000 0.245 192 I C 2.718 178.843 176.117 0.014 0.000 1.100 192 I CA 1.762 63.044 61.300 -0.029 0.000 1.374 192 I CB -2.175 35.768 38.000 -0.096 0.000 1.057 192 I HN 0.238 nan 8.210 nan 0.000 0.413 193 G N 0.023 108.837 108.800 0.023 0.000 2.446 193 G HA2 -0.252 3.721 3.960 0.022 0.000 0.217 193 G HA3 -0.252 3.721 3.960 0.022 0.000 0.217 193 G C 1.581 176.476 174.900 -0.007 0.000 1.168 193 G CA 0.295 45.419 45.100 0.040 0.000 0.771 193 G HN 0.338 nan 8.290 nan 0.000 0.551 194 Q N -0.364 119.410 119.800 -0.043 0.000 2.167 194 Q HA -0.112 4.242 4.340 0.022 0.000 0.202 194 Q C 2.190 178.177 176.000 -0.022 0.000 0.970 194 Q CA 1.547 57.314 55.803 -0.061 0.000 0.855 194 Q CB -0.214 28.449 28.738 -0.126 0.000 0.911 194 Q HN 0.804 nan 8.270 nan 0.000 0.438 195 H N 0.242 119.275 119.070 -0.063 0.000 2.357 195 H HA -0.032 4.538 4.556 0.023 0.000 0.301 195 H C 2.004 177.329 175.328 -0.005 0.000 1.082 195 H CA 1.478 57.506 56.048 -0.032 0.000 1.342 195 H CB -0.137 29.612 29.762 -0.021 0.000 1.389 195 H HN 0.101 nan 8.280 nan 0.000 0.511 196 L N -0.149 121.059 121.223 -0.024 0.000 2.046 196 L HA -0.136 4.218 4.340 0.022 0.000 0.208 196 L C 2.286 179.080 176.870 -0.127 0.000 1.077 196 L CA 1.634 56.436 54.840 -0.064 0.000 0.747 196 L CB -0.442 41.601 42.059 -0.028 0.000 0.896 196 L HN 0.366 nan 8.230 nan 0.000 0.432 197 D N -0.557 119.779 120.400 -0.107 0.000 2.149 197 D HA -0.176 4.478 4.640 0.022 0.000 0.198 197 D C 1.997 178.222 176.300 -0.124 0.000 0.990 197 D CA 1.563 55.499 54.000 -0.107 0.000 0.839 197 D CB 0.183 40.946 40.800 -0.061 0.000 0.948 197 D HN 0.145 nan 8.370 nan 0.000 0.460 198 T N -0.680 113.790 114.554 -0.140 0.000 2.896 198 T HA 0.019 4.383 4.350 0.022 0.000 0.263 198 T C 1.214 175.806 174.700 -0.181 0.000 1.050 198 T CA 0.739 62.756 62.100 -0.139 0.000 1.140 198 T CB 0.009 68.795 68.868 -0.137 0.000 0.877 198 T HN 0.197 nan 8.240 nan 0.000 0.457 199 N N 0.171 118.711 118.700 -0.268 0.000 2.171 199 N HA 0.204 4.958 4.740 0.022 0.000 0.212 199 N C 1.210 176.639 175.510 -0.136 0.000 1.184 199 N CA -0.077 52.791 53.050 -0.303 0.000 0.888 199 N CB 0.486 38.621 38.487 -0.586 0.000 1.038 199 N HN 0.182 nan 8.380 nan 0.000 0.517 200 I N 0.479 120.983 120.570 -0.110 0.000 2.335 200 I HA -0.181 4.002 4.170 0.022 0.000 0.251 200 I C 0.967 177.098 176.117 0.024 0.000 1.129 200 I CA 1.488 62.739 61.300 -0.081 0.000 1.402 200 I CB -0.069 37.741 38.000 -0.317 0.000 1.069 200 I HN -0.065 nan 8.210 nan 0.000 0.424 201 F N -0.061 119.899 119.950 0.018 0.000 2.749 201 F HA 0.283 4.823 4.527 0.022 0.000 0.300 201 F C 1.626 177.414 175.800 -0.019 0.000 1.103 201 F CA -0.175 57.828 58.000 0.006 0.000 1.342 201 F CB -1.355 37.652 39.000 0.012 0.000 1.098 201 F HN -0.008 nan 8.300 nan 0.000 0.586 202 S N 0.134 115.883 115.700 0.081 0.000 2.568 202 S HA -0.018 4.465 4.470 0.022 0.000 0.282 202 S C 1.103 175.685 174.600 -0.030 0.000 1.338 202 S CA -0.529 57.647 58.200 -0.040 0.000 1.045 202 S CB 0.831 63.907 63.200 -0.206 0.000 0.873 202 S HN 0.157 nan 8.310 nan 0.000 0.516 203 D N 2.190 122.575 120.400 -0.025 0.000 2.190 203 D HA -0.175 4.479 4.640 0.022 0.000 0.200 203 D C 1.939 178.242 176.300 0.006 0.000 0.992 203 D CA 1.820 55.819 54.000 -0.001 0.000 0.854 203 D CB -0.223 40.574 40.800 -0.006 0.000 0.936 203 D HN 0.924 nan 8.370 nan 0.000 0.462 204 K N -0.246 120.121 120.400 -0.055 0.000 2.283 204 K HA -0.140 4.193 4.320 0.022 0.000 0.202 204 K C 1.659 178.378 176.600 0.197 0.000 1.048 204 K CA 1.104 57.387 56.287 -0.007 0.000 0.948 204 K CB -0.322 32.111 32.500 -0.112 0.000 0.742 204 K HN 0.342 nan 8.250 nan 0.000 0.458 205 Y N 1.352 121.665 120.300 0.021 0.000 2.507 205 Y HA 0.001 4.564 4.550 0.022 0.000 0.263 205 Y C 2.675 178.590 175.900 0.026 0.000 1.093 205 Y CA -0.069 58.044 58.100 0.021 0.000 1.285 205 Y CB 0.514 38.982 38.460 0.012 0.000 1.115 205 Y HN 0.244 nan 8.280 nan 0.000 0.533 206 S N 0.257 116.062 115.700 0.175 0.000 2.420 206 S HA -0.156 4.327 4.470 0.022 0.000 0.237 206 S C 0.557 175.205 174.600 0.079 0.000 1.023 206 S CA 1.407 59.672 58.200 0.109 0.000 0.991 206 S CB -0.977 62.267 63.200 0.072 0.000 0.792 206 S HN 0.383 nan 8.310 nan 0.000 0.488 207 D N 0.247 120.695 120.400 0.079 0.000 2.602 207 D HA 0.754 5.407 4.640 0.022 0.000 0.245 207 D C -0.259 176.078 176.300 0.063 0.000 1.325 207 D CA -0.144 53.890 54.000 0.056 0.000 0.952 207 D CB 1.024 41.848 40.800 0.040 0.000 1.317 207 D HN 0.640 nan 8.370 nan 0.000 0.577 211 E N 0.780 121.004 120.200 0.039 0.000 2.373 211 E HA 0.730 5.093 4.350 0.022 0.000 0.267 211 E C 0.720 177.340 176.600 0.034 0.000 1.032 211 E CA -0.031 56.391 56.400 0.037 0.000 0.889 211 E CB -0.237 29.478 29.700 0.025 0.000 0.984 211 E HN 1.866 nan 8.360 nan 0.000 0.425 212 I N 1.297 121.889 120.570 0.036 0.000 2.648 212 I HA 0.315 4.499 4.170 0.022 0.000 0.284 212 I C 0.502 176.628 176.117 0.014 0.000 1.153 212 I CA -0.216 61.099 61.300 0.024 0.000 1.426 212 I CB 0.837 38.853 38.000 0.028 0.000 1.381 212 I HN 0.726 nan 8.210 nan 0.000 0.571 213 D N 4.543 124.947 120.400 0.006 0.000 2.402 213 D HA 0.306 4.959 4.640 0.022 0.000 0.235 213 D C 1.251 177.552 176.300 0.002 0.000 1.226 213 D CA 0.351 54.353 54.000 0.004 0.000 0.918 213 D CB 1.303 42.103 40.800 0.001 0.000 1.043 213 D HN 0.625 nan 8.370 nan 0.000 0.506 214 V N 1.595 121.511 119.914 0.004 0.000 3.461 214 V HA 0.049 4.182 4.120 0.022 0.000 0.267 214 V C 1.140 177.236 176.094 0.002 0.000 1.186 214 V CA 0.505 62.807 62.300 0.003 0.000 1.154 214 V CB -0.241 31.585 31.823 0.005 0.000 0.802 214 V HN 0.350 nan 8.190 nan 0.000 0.474 215 N N 0.988 119.689 118.700 0.002 0.000 2.388 215 N HA 0.056 4.809 4.740 0.022 0.000 0.176 215 N C 0.507 176.018 175.510 0.000 0.000 1.062 215 N CA 0.266 53.317 53.050 0.001 0.000 0.895 215 N CB -0.122 38.366 38.487 0.002 0.000 1.018 215 N HN 0.519 nan 8.380 nan 0.000 0.456 216 N N 1.721 120.421 118.700 -0.001 0.000 2.411 216 N HA 0.102 4.856 4.740 0.022 0.000 0.259 216 N C 0.509 176.018 175.510 -0.003 0.000 1.103 216 N CA -0.119 52.929 53.050 -0.002 0.000 0.954 216 N CB 0.431 38.916 38.487 -0.003 0.000 1.085 216 N HN 0.197 nan 8.380 nan 0.000 0.485 217 I N -0.197 120.372 120.570 -0.002 0.000 4.338 217 I HA 0.439 4.623 4.170 0.022 0.000 0.329 217 I C 0.322 176.438 176.117 -0.002 0.000 1.378 217 I CA -0.259 61.039 61.300 -0.002 0.000 1.170 217 I CB 0.320 38.320 38.000 -0.001 0.000 1.206 217 I HN 0.183 nan 8.210 nan 0.000 0.432 218 N N 1.833 120.532 118.700 -0.002 0.000 2.612 218 N HA 0.268 5.022 4.740 0.022 0.000 0.224 218 N C 1.024 176.533 175.510 -0.002 0.000 1.051 218 N CA 0.912 53.961 53.050 -0.001 0.000 0.889 218 N CB 0.593 39.080 38.487 -0.001 0.000 1.449 218 N HN 0.272 nan 8.380 nan 0.000 0.442 219 V N 4.115 124.028 119.914 -0.002 0.000 2.397 219 V HA 0.283 4.417 4.120 0.022 0.000 0.262 219 V C -2.075 174.016 176.094 -0.004 0.000 1.047 219 V CA -1.135 61.163 62.300 -0.002 0.000 1.003 219 V CB -0.701 31.121 31.823 -0.002 0.000 1.037 219 V HN -0.044 nan 8.190 nan 0.000 0.480 220 P HA 0.303 nan 4.420 nan 0.000 0.274 220 P C -0.296 177.001 177.300 -0.006 0.000 1.231 220 P CA -0.403 62.694 63.100 -0.005 0.000 0.790 220 P CB 0.730 32.428 31.700 -0.003 0.000 0.951 221 E N 0.588 120.783 120.200 -0.008 0.000 2.316 221 E HA 0.314 4.677 4.350 0.022 0.000 0.275 221 E C -0.115 176.483 176.600 -0.003 0.000 1.029 221 E CA -0.367 56.028 56.400 -0.008 0.000 0.871 221 E CB 0.201 29.892 29.700 -0.016 0.000 1.022 221 E HN 0.472 nan 8.360 nan 0.000 0.418 222 Q N 5.293 125.092 119.800 -0.002 0.000 2.307 222 Q HA 0.234 4.587 4.340 0.022 0.000 0.259 222 Q C -2.283 173.720 176.000 0.005 0.000 0.998 222 Q CA -1.745 54.058 55.803 0.000 0.000 0.923 222 Q CB -0.035 28.702 28.738 -0.001 0.000 1.196 222 Q HN 0.420 nan 8.270 nan 0.000 0.416 223 P HA 0.239 nan 4.420 nan 0.000 0.264 223 P C -0.559 176.752 177.300 0.018 0.000 1.229 223 P CA 0.189 63.305 63.100 0.027 0.000 0.780 223 P CB 0.229 31.948 31.700 0.032 0.000 0.808 224 V N 1.440 121.359 119.914 0.009 0.000 2.876 224 V HA 0.463 4.597 4.120 0.022 0.000 0.312 224 V C 0.260 176.261 176.094 -0.154 0.000 1.085 224 V CA -1.184 61.089 62.300 -0.045 0.000 0.945 224 V CB 1.987 33.785 31.823 -0.041 0.000 1.017 224 V HN 0.257 nan 8.190 nan 0.000 0.428 225 I N 1.989 122.361 120.570 -0.329 0.000 2.696 225 I HA 0.359 4.543 4.170 0.022 0.000 0.284 225 I C 0.142 175.909 176.117 -0.583 0.000 1.129 225 I CA 0.264 61.047 61.300 -0.862 0.000 1.410 225 I CB 1.009 38.581 38.000 -0.714 0.000 1.399 225 I HN 1.130 nan 8.210 nan 0.000 0.579 226 D N 4.259 124.274 120.400 -0.642 0.000 2.446 226 D HA 0.271 4.924 4.640 0.022 0.000 0.251 226 D C 1.088 177.291 176.300 -0.162 0.000 1.137 226 D CA -0.443 53.465 54.000 -0.153 0.000 0.890 226 D CB 0.622 41.500 40.800 0.130 0.000 1.071 226 D HN 0.493 nan 8.370 nan 0.000 0.528 227 I N 1.411 121.842 120.570 -0.231 0.000 2.315 227 I HA -0.222 3.962 4.170 0.022 0.000 0.251 227 I C 1.128 177.156 176.117 -0.147 0.000 1.125 227 I CA 1.105 62.221 61.300 -0.307 0.000 1.392 227 I CB -0.160 37.760 38.000 -0.134 0.000 1.065 227 I HN 0.134 nan 8.210 nan 0.000 0.424 228 N N 1.000 119.675 118.700 -0.042 0.000 2.364 228 N HA -0.080 4.673 4.740 0.022 0.000 0.183 228 N C 1.535 177.057 175.510 0.019 0.000 1.022 228 N CA 1.341 54.392 53.050 0.002 0.000 0.883 228 N CB -0.144 38.355 38.487 0.019 0.000 0.965 228 N HN 0.484 nan 8.380 nan 0.000 0.438 229 M N 0.202 119.836 119.600 0.056 0.000 2.465 229 M HA 0.214 4.707 4.480 0.022 0.000 0.249 229 M C 0.488 176.833 176.300 0.076 0.000 1.130 229 M CA 0.083 55.438 55.300 0.091 0.000 1.067 229 M CB 0.021 32.721 32.600 0.167 0.000 1.394 229 M HN -0.065 nan 8.290 nan 0.000 0.483 230 I N 3.074 123.636 120.570 -0.013 0.000 2.268 230 I HA 0.004 4.188 4.170 0.022 0.000 0.298 230 I C -0.296 175.775 176.117 -0.076 0.000 1.185 230 I CA -0.192 61.035 61.300 -0.123 0.000 1.548 230 I CB -1.167 36.519 38.000 -0.523 0.000 1.492 230 I HN 0.308 nan 8.210 nan 0.000 0.711 231 N N 2.664 121.374 118.700 0.016 0.000 2.591 231 N HA 0.201 4.954 4.740 0.022 0.000 0.263 231 N C -0.030 175.582 175.510 0.170 0.000 1.308 231 N CA -0.914 52.177 53.050 0.070 0.000 0.837 231 N CB 0.801 39.327 38.487 0.065 0.000 1.548 231 N HN 0.077 nan 8.380 nan 0.000 0.493 232 F N 0.414 120.376 119.950 0.020 0.000 2.234 232 F HA 0.121 4.661 4.527 0.023 0.000 0.299 232 F C 2.053 177.951 175.800 0.162 0.000 1.087 232 F CA 1.363 59.425 58.000 0.102 0.000 1.340 232 F CB 0.008 39.059 39.000 0.086 0.000 1.031 232 F HN 0.788 nan 8.300 nan 0.000 0.500 233 G N -0.386 108.472 108.800 0.098 0.000 2.418 233 G HA2 -0.215 3.758 3.960 0.022 0.000 0.217 233 G HA3 -0.215 3.758 3.960 0.022 0.000 0.217 233 G C 1.619 176.508 174.900 -0.018 0.000 1.158 233 G CA 1.092 46.196 45.100 0.006 0.000 0.771 233 G HN 0.284 nan 8.290 nan 0.000 0.545 234 V N -0.258 119.670 119.914 0.023 0.000 2.379 234 V HA -0.134 3.999 4.120 0.022 0.000 0.245 234 V C 2.244 178.344 176.094 0.011 0.000 1.044 234 V CA 1.573 63.877 62.300 0.007 0.000 1.036 234 V CB -0.708 31.124 31.823 0.015 0.000 0.664 234 V HN 0.453 nan 8.190 nan 0.000 0.453 235 Y N 1.411 121.670 120.300 -0.069 0.000 2.128 235 Y HA -0.286 4.278 4.550 0.022 0.000 0.284 235 Y C 2.524 178.356 175.900 -0.113 0.000 1.154 235 Y CA 2.012 60.078 58.100 -0.058 0.000 1.149 235 Y CB -0.250 38.234 38.460 0.040 0.000 0.976 235 Y HN 0.144 nan 8.280 nan 0.000 0.505 236 K N 0.131 120.388 120.400 -0.239 0.000 2.103 236 K HA -0.207 4.126 4.320 0.022 0.000 0.207 236 K C 1.957 178.465 176.600 -0.155 0.000 1.048 236 K CA 1.733 57.840 56.287 -0.300 0.000 0.930 236 K CB -0.344 31.951 32.500 -0.343 0.000 0.716 236 K HN 0.522 nan 8.250 nan 0.000 0.444 237 N N 0.590 119.243 118.700 -0.079 0.000 2.069 237 N HA -0.163 4.590 4.740 0.022 0.000 0.191 237 N C 1.896 177.448 175.510 0.070 0.000 1.031 237 N CA 1.125 54.192 53.050 0.029 0.000 0.852 237 N CB -0.105 38.364 38.487 -0.029 0.000 1.018 237 N HN 0.103 nan 8.380 nan 0.000 0.423 238 I N 0.589 121.120 120.570 -0.066 0.000 2.113 238 I HA -0.232 3.951 4.170 0.022 0.000 0.238 238 I C 2.233 178.308 176.117 -0.070 0.000 1.070 238 I CA 0.941 62.194 61.300 -0.078 0.000 1.332 238 I CB -0.368 37.548 38.000 -0.139 0.000 1.044 238 I HN -0.028 nan 8.210 nan 0.000 0.402 239 V N 0.696 120.469 119.914 -0.235 0.000 2.332 239 V HA -0.286 3.847 4.120 0.022 0.000 0.248 239 V C 2.630 178.694 176.094 -0.050 0.000 1.055 239 V CA 1.693 63.864 62.300 -0.216 0.000 1.038 239 V CB -0.427 31.106 31.823 -0.484 0.000 0.651 239 V HN 0.300 nan 8.190 nan 0.000 0.450 240 I N -0.617 119.929 120.570 -0.041 0.000 2.179 240 I HA -0.245 3.938 4.170 0.022 0.000 0.242 240 I C 2.335 178.477 176.117 0.041 0.000 1.088 240 I CA 1.805 63.083 61.300 -0.037 0.000 1.357 240 I CB -1.284 36.669 38.000 -0.079 0.000 1.051 240 I HN 0.577 nan 8.210 nan 0.000 0.409 241 H N -0.192 118.957 119.070 0.132 0.000 2.363 241 H HA -0.081 4.489 4.556 0.022 0.000 0.301 241 H C 2.287 177.689 175.328 0.124 0.000 1.074 241 H CA 1.724 57.859 56.048 0.145 0.000 1.354 241 H CB -0.181 29.593 29.762 0.019 0.000 1.397 241 H HN 0.303 nan 8.280 nan 0.000 0.516 242 K N -0.294 120.205 120.400 0.166 0.000 2.097 242 K HA -0.095 4.239 4.320 0.022 0.000 0.205 242 K C 0.871 177.597 176.600 0.211 0.000 1.050 242 K CA 1.880 58.226 56.287 0.099 0.000 0.938 242 K CB 0.297 32.821 32.500 0.040 0.000 0.718 242 K HN 0.289 nan 8.250 nan 0.000 0.442 243 T N -1.077 113.615 114.554 0.230 0.000 3.125 243 T HA 0.206 4.570 4.350 0.022 0.000 0.252 243 T C 1.705 176.522 174.700 0.196 0.000 0.981 243 T CA 0.262 62.516 62.100 0.256 0.000 1.069 243 T CB -0.069 68.916 68.868 0.195 0.000 1.091 243 T HN 0.205 nan 8.240 nan 0.000 0.460 244 A N 0.989 123.911 122.820 0.171 0.000 1.892 244 A HA -0.140 4.193 4.320 0.022 0.000 0.218 244 A C 1.996 179.608 177.584 0.047 0.000 1.188 244 A CA 1.767 53.873 52.037 0.116 0.000 0.631 244 A CB -1.207 17.716 19.000 -0.128 0.000 0.822 244 A HN 0.553 nan 8.150 nan 0.000 0.447 245 Y N -1.298 119.087 120.300 0.142 0.000 2.145 245 Y HA -0.241 4.323 4.550 0.023 0.000 0.286 245 Y C 2.462 178.515 175.900 0.255 0.000 1.145 245 Y CA 2.163 60.379 58.100 0.193 0.000 1.148 245 Y CB -0.656 37.874 38.460 0.115 0.000 0.981 245 Y HN 0.660 nan 8.280 nan 0.000 0.507 246 Y N -2.322 118.128 120.300 0.251 0.000 2.448 246 Y HA 0.110 4.673 4.550 0.023 0.000 0.289 246 Y C 1.972 177.887 175.900 0.024 0.000 1.114 246 Y CA 0.860 59.064 58.100 0.174 0.000 1.235 246 Y CB -0.610 38.043 38.460 0.322 0.000 1.045 246 Y HN -0.125 nan 8.280 nan 0.000 0.554 247 S N -0.365 114.938 115.700 -0.661 0.000 2.478 247 S HA 0.149 4.633 4.470 0.022 0.000 0.222 247 S C 0.782 174.821 174.600 -0.935 0.000 1.008 247 S CA 0.801 58.453 58.200 -0.914 0.000 0.928 247 S CB -0.192 62.422 63.200 -0.978 0.000 0.781 247 S HN 0.490 nan 8.310 nan 0.000 0.518 248 F N -1.280 118.572 119.950 -0.163 0.000 2.347 248 F HA 0.370 4.910 4.527 0.021 0.000 0.266 248 F C 1.510 177.285 175.800 -0.041 0.000 0.884 248 F CA -0.702 57.234 58.000 -0.107 0.000 1.123 248 F CB -0.596 38.356 39.000 -0.081 0.000 1.098 248 F HN 0.071 nan 8.300 nan 0.000 0.803 249 F N 1.256 121.214 119.950 0.014 0.000 2.069 249 F HA -0.203 4.337 4.527 0.022 0.000 0.298 249 F C 2.278 178.066 175.800 -0.020 0.000 1.113 249 F CA 1.529 59.518 58.000 -0.019 0.000 1.214 249 F CB -0.696 38.256 39.000 -0.080 0.000 0.978 249 F HN -0.036 nan 8.300 nan 0.000 0.474 250 L N 1.770 122.972 121.223 -0.036 0.000 1.971 250 L HA -0.138 4.216 4.340 0.022 0.000 0.215 250 L C -0.699 175.981 176.870 -0.316 0.000 1.072 250 L CA 2.393 57.088 54.840 -0.240 0.000 0.758 250 L CB -2.092 39.849 42.059 -0.197 0.000 0.889 250 L HN 0.054 nan 8.230 nan 0.000 0.433 251 P HA -0.177 nan 4.420 nan 0.000 0.215 251 P C 2.140 179.330 177.300 -0.182 0.000 1.157 251 P CA 1.918 64.875 63.100 -0.238 0.000 0.868 251 P CB -0.099 31.448 31.700 -0.256 0.000 0.788 252 I N -0.569 119.910 120.570 -0.151 0.000 2.179 252 I HA -0.191 3.993 4.170 0.022 0.000 0.242 252 I C 2.537 178.585 176.117 -0.116 0.000 1.088 252 I CA 1.270 62.507 61.300 -0.105 0.000 1.357 252 I CB -0.943 37.022 38.000 -0.060 0.000 1.051 252 I HN -0.216 nan 8.210 nan 0.000 0.409 253 V N -0.017 119.759 119.914 -0.229 0.000 2.490 253 V HA -0.298 3.836 4.120 0.022 0.000 0.250 253 V C 2.573 178.609 176.094 -0.097 0.000 1.061 253 V CA 1.611 63.802 62.300 -0.181 0.000 1.064 253 V CB -0.653 30.829 31.823 -0.569 0.000 0.670 253 V HN 0.582 nan 8.190 nan 0.000 0.461 254 C N 0.737 119.949 119.300 -0.147 0.000 2.432 254 C HA -0.082 4.392 4.460 0.022 0.000 0.277 254 C C 2.968 177.953 174.990 -0.009 0.000 1.249 254 C CA 1.052 60.020 59.018 -0.083 0.000 1.725 254 C CB -1.603 26.062 27.740 -0.125 0.000 2.028 254 C HN 0.668 nan 8.230 nan 0.000 0.477 255 G N -0.279 108.524 108.800 0.004 0.000 2.418 255 G HA2 -0.215 3.759 3.960 0.022 0.000 0.217 255 G HA3 -0.215 3.759 3.960 0.022 0.000 0.217 255 G C 1.616 176.625 174.900 0.183 0.000 1.158 255 G CA 0.750 45.922 45.100 0.120 0.000 0.771 255 G HN 0.500 nan 8.290 nan 0.000 0.545 256 M N -0.275 119.385 119.600 0.099 0.000 2.132 256 M HA 0.139 4.633 4.480 0.022 0.000 0.263 256 M C 2.551 178.961 176.300 0.183 0.000 1.065 256 M CA 0.936 56.295 55.300 0.098 0.000 1.122 256 M CB -0.265 32.360 32.600 0.043 0.000 1.365 256 M HN 0.137 nan 8.290 nan 0.000 0.411 257 L N -0.364 120.971 121.223 0.186 0.000 2.027 257 L HA -0.202 4.151 4.340 0.022 0.000 0.206 257 L C 2.417 179.379 176.870 0.153 0.000 1.074 257 L CA 0.747 55.682 54.840 0.159 0.000 0.745 257 L CB -0.527 41.574 42.059 0.069 0.000 0.898 257 L HN 0.278 nan 8.230 nan 0.000 0.433 258 L N -0.018 121.298 121.223 0.156 0.000 2.201 258 L HA -0.101 4.253 4.340 0.022 0.000 0.212 258 L C 2.407 179.484 176.870 0.344 0.000 1.105 258 L CA 1.725 56.672 54.840 0.179 0.000 0.775 258 L CB -0.510 41.564 42.059 0.025 0.000 0.913 258 L HN 0.142 nan 8.230 nan 0.000 0.440 259 A N -1.353 121.682 122.820 0.357 0.000 2.167 259 A HA 0.378 4.712 4.320 0.022 0.000 0.214 259 A C 1.758 179.424 177.584 0.137 0.000 1.151 259 A CA 0.767 52.938 52.037 0.222 0.000 0.735 259 A CB -0.590 18.452 19.000 0.070 0.000 0.802 259 A HN 0.757 nan 8.150 nan 0.000 0.467 260 G N -1.250 107.639 108.800 0.148 0.000 2.192 260 G HA2 -0.146 3.827 3.960 0.022 0.000 0.193 260 G HA3 -0.146 3.827 3.960 0.022 0.000 0.193 260 G C 0.071 175.044 174.900 0.121 0.000 0.999 260 G CA -0.108 45.065 45.100 0.121 0.000 0.659 260 G HN 0.389 nan 8.290 nan 0.000 0.503 261 I N 2.486 123.139 120.570 0.138 0.000 2.406 261 I HA 0.451 4.635 4.170 0.022 0.000 0.293 261 I C 1.298 177.575 176.117 0.268 0.000 1.101 261 I CA -0.008 61.381 61.300 0.149 0.000 1.334 261 I CB 0.859 38.877 38.000 0.030 0.000 1.421 261 I HN 0.344 nan 8.210 nan 0.000 0.513 262 A N 5.654 128.599 122.820 0.208 0.000 2.531 262 A HA 0.040 4.373 4.320 0.022 0.000 0.236 262 A C 1.358 179.093 177.584 0.251 0.000 1.062 262 A CA -0.115 52.032 52.037 0.183 0.000 0.760 262 A CB 0.591 19.666 19.000 0.126 0.000 0.995 262 A HN 0.678 nan 8.150 nan 0.000 0.501 263 V N 2.587 122.550 119.914 0.082 0.000 2.439 263 V HA -0.295 3.838 4.120 0.022 0.000 0.253 263 V C 2.324 178.436 176.094 0.031 0.000 1.074 263 V CA 3.396 65.631 62.300 -0.109 0.000 1.076 263 V CB -1.052 30.698 31.823 -0.122 0.000 0.664 263 V HN 1.044 nan 8.190 nan 0.000 0.461 264 D N -1.147 119.316 120.400 0.105 0.000 2.363 264 D HA -0.011 4.642 4.640 0.022 0.000 0.220 264 D C 1.136 177.539 176.300 0.171 0.000 0.994 264 D CA 0.417 54.486 54.000 0.116 0.000 0.890 264 D CB -0.418 40.431 40.800 0.082 0.000 0.906 264 D HN 0.544 nan 8.370 nan 0.000 0.530 265 N N 0.244 119.095 118.700 0.251 0.000 2.412 265 N HA 0.071 4.824 4.740 0.022 0.000 0.254 265 N C 1.108 176.743 175.510 0.208 0.000 1.232 265 N CA -0.159 53.014 53.050 0.206 0.000 0.880 265 N CB 1.248 39.834 38.487 0.165 0.000 1.076 265 N HN 0.233 nan 8.380 nan 0.000 0.458 266 L N 4.335 125.631 121.223 0.121 0.000 2.265 266 L HA -0.056 4.298 4.340 0.022 0.000 0.215 266 L C 2.283 179.201 176.870 0.079 0.000 1.117 266 L CA 0.672 55.574 54.840 0.103 0.000 0.782 266 L CB -0.227 41.878 42.059 0.076 0.000 0.914 266 L HN 0.663 nan 8.230 nan 0.000 0.441 267 I N -1.498 119.079 120.570 0.012 0.000 2.567 267 I HA -0.322 3.861 4.170 0.022 0.000 0.257 267 I C 2.139 178.203 176.117 -0.089 0.000 1.184 267 I CA 1.073 62.329 61.300 -0.073 0.000 1.451 267 I CB 0.077 37.985 38.000 -0.153 0.000 1.089 267 I HN 0.190 nan 8.210 nan 0.000 0.441 268 Y N 1.429 121.779 120.300 0.083 0.000 2.224 268 Y HA -0.267 4.296 4.550 0.022 0.000 0.289 268 Y C 2.816 178.835 175.900 0.198 0.000 1.146 268 Y CA 2.042 60.230 58.100 0.146 0.000 1.182 268 Y CB -1.018 37.537 38.460 0.157 0.000 0.983 268 Y HN 0.165 nan 8.280 nan 0.000 0.524 269 K N 0.836 121.387 120.400 0.251 0.000 2.097 269 K HA -0.172 4.162 4.320 0.022 0.000 0.206 269 K C 1.903 178.553 176.600 0.083 0.000 1.049 269 K CA 1.819 58.191 56.287 0.141 0.000 0.933 269 K CB -0.726 31.830 32.500 0.095 0.000 0.717 269 K HN 0.412 nan 8.250 nan 0.000 0.442 270 K N -0.271 120.166 120.400 0.061 0.000 2.057 270 K HA 0.029 4.362 4.320 0.022 0.000 0.206 270 K C 2.095 178.707 176.600 0.019 0.000 1.050 270 K CA 1.182 57.475 56.287 0.010 0.000 0.935 270 K CB -0.215 32.271 32.500 -0.023 0.000 0.715 270 K HN 0.222 nan 8.250 nan 0.000 0.439 271 I N 1.582 122.197 120.570 0.074 0.000 2.226 271 I HA -0.229 3.954 4.170 0.022 0.000 0.245 271 I C 2.333 178.577 176.117 0.212 0.000 1.100 271 I CA 1.463 62.840 61.300 0.127 0.000 1.374 271 I CB -0.906 37.181 38.000 0.145 0.000 1.057 271 I HN 0.305 nan 8.210 nan 0.000 0.413 272 E N 0.845 121.180 120.200 0.225 0.000 2.051 272 E HA -0.250 4.114 4.350 0.022 0.000 0.192 272 E C 1.710 178.210 176.600 -0.167 0.000 0.991 272 E CA 1.583 57.910 56.400 -0.122 0.000 0.799 272 E CB 0.151 29.664 29.700 -0.311 0.000 0.748 272 E HN 0.386 nan 8.360 nan 0.000 0.449 273 D N 0.349 120.697 120.400 -0.087 0.000 2.104 273 D HA -0.169 4.485 4.640 0.022 0.000 0.194 273 D C 2.027 178.264 176.300 -0.104 0.000 0.994 273 D CA 1.013 54.958 54.000 -0.092 0.000 0.830 273 D CB -0.275 40.492 40.800 -0.057 0.000 0.959 273 D HN 0.288 nan 8.370 nan 0.000 0.452 274 I N 0.769 121.290 120.570 -0.083 0.000 2.226 274 I HA -0.244 3.939 4.170 0.022 0.000 0.245 274 I C 2.341 178.372 176.117 -0.142 0.000 1.100 274 I CA 0.855 62.092 61.300 -0.106 0.000 1.374 274 I CB -0.152 37.798 38.000 -0.083 0.000 1.057 274 I HN -0.115 nan 8.210 nan 0.000 0.413 275 S N 0.441 116.082 115.700 -0.097 0.000 2.382 275 S HA -0.171 4.312 4.470 0.022 0.000 0.228 275 S C 2.021 176.484 174.600 -0.229 0.000 1.027 275 S CA 1.432 59.570 58.200 -0.104 0.000 0.991 275 S CB -0.242 62.980 63.200 0.038 0.000 0.823 275 S HN 0.354 nan 8.310 nan 0.000 0.469 276 M N 0.672 120.120 119.600 -0.253 0.000 2.132 276 M HA -0.053 4.440 4.480 0.022 0.000 0.263 276 M C 1.970 178.172 176.300 -0.163 0.000 1.065 276 M CA 1.353 56.511 55.300 -0.236 0.000 1.122 276 M CB -0.599 31.873 32.600 -0.214 0.000 1.365 276 M HN 0.264 nan 8.290 nan 0.000 0.411 277 L N -0.527 120.604 121.223 -0.154 0.000 2.046 277 L HA -0.205 4.149 4.340 0.022 0.000 0.208 277 L C 2.554 179.328 176.870 -0.160 0.000 1.077 277 L CA 1.258 56.026 54.840 -0.121 0.000 0.747 277 L CB -0.541 41.437 42.059 -0.135 0.000 0.896 277 L HN 0.363 nan 8.230 nan 0.000 0.432 278 M N -0.512 118.897 119.600 -0.319 0.000 2.175 278 M HA -0.100 4.393 4.480 0.022 0.000 0.264 278 M C 2.322 178.331 176.300 -0.484 0.000 1.063 278 M CA 1.792 56.794 55.300 -0.497 0.000 1.119 278 M CB -0.778 31.307 32.600 -0.858 0.000 1.377 278 M HN 0.348 nan 8.290 nan 0.000 0.415 279 G N -0.125 108.399 108.800 -0.459 0.000 2.418 279 G HA2 -0.236 3.737 3.960 0.022 0.000 0.217 279 G HA3 -0.236 3.737 3.960 0.022 0.000 0.217 279 G C 1.381 176.337 174.900 0.094 0.000 1.158 279 G CA 0.903 45.979 45.100 -0.040 0.000 0.771 279 G HN 0.527 nan 8.290 nan 0.000 0.545 280 E N -0.524 119.703 120.200 0.044 0.000 2.047 280 E HA -0.193 4.171 4.350 0.022 0.000 0.191 280 E C 2.072 178.798 176.600 0.211 0.000 0.987 280 E CA 0.873 57.342 56.400 0.116 0.000 0.799 280 E CB -0.329 29.440 29.700 0.116 0.000 0.752 280 E HN 0.515 nan 8.360 nan 0.000 0.449 281 Y N -0.008 120.317 120.300 0.041 0.000 2.128 281 Y HA -0.270 4.293 4.550 0.022 0.000 0.284 281 Y C 1.899 177.733 175.900 -0.109 0.000 1.154 281 Y CA 2.181 60.258 58.100 -0.039 0.000 1.149 281 Y CB -0.371 37.896 38.460 -0.321 0.000 0.976 281 Y HN 0.041 nan 8.280 nan 0.000 0.505 282 F N -0.204 119.856 119.950 0.183 0.000 2.293 282 F HA -0.084 4.455 4.527 0.020 0.000 0.297 282 F C 2.515 178.419 175.800 0.173 0.000 1.089 282 F CA 1.394 59.502 58.000 0.179 0.000 1.377 282 F CB -0.660 38.535 39.000 0.326 0.000 1.051 282 F HN 0.105 nan 8.300 nan 0.000 0.511 283 Q N 0.790 120.769 119.800 0.297 0.000 2.123 283 Q HA -0.094 4.259 4.340 0.022 0.000 0.199 283 Q C 1.996 178.116 176.000 0.200 0.000 0.966 283 Q CA 1.546 57.486 55.803 0.229 0.000 0.845 283 Q CB -0.435 28.404 28.738 0.168 0.000 0.907 283 Q HN 0.482 nan 8.270 nan 0.000 0.439 284 I N -0.362 120.294 120.570 0.143 0.000 2.286 284 I HA -0.273 3.910 4.170 0.022 0.000 0.248 284 I C 2.130 178.182 176.117 -0.108 0.000 1.115 284 I CA 1.411 62.697 61.300 -0.024 0.000 1.392 284 I CB -0.287 37.440 38.000 -0.454 0.000 1.065 284 I HN 0.362 nan 8.210 nan 0.000 0.418 285 H N 1.101 120.071 119.070 -0.166 0.000 2.353 285 H HA -0.196 4.371 4.556 0.018 0.000 0.300 285 H C 1.787 177.064 175.328 -0.084 0.000 1.090 285 H CA 1.984 57.880 56.048 -0.252 0.000 1.327 285 H CB -0.092 29.580 29.762 -0.149 0.000 1.383 285 H HN 0.192 nan 8.280 nan 0.000 0.508 286 D N -0.028 120.379 120.400 0.011 0.000 2.117 286 D HA -0.123 4.530 4.640 0.022 0.000 0.197 286 D C 1.682 177.970 176.300 -0.019 0.000 0.987 286 D CA 1.350 55.354 54.000 0.007 0.000 0.829 286 D CB -0.344 40.530 40.800 0.124 0.000 0.961 286 D HN 0.469 nan 8.370 nan 0.000 0.460 287 D N -0.857 119.566 120.400 0.039 0.000 2.117 287 D HA -0.164 4.489 4.640 0.022 0.000 0.197 287 D C 1.831 178.131 176.300 -0.001 0.000 0.987 287 D CA 0.636 54.684 54.000 0.079 0.000 0.829 287 D CB -0.413 40.499 40.800 0.187 0.000 0.961 287 D HN 0.288 nan 8.370 nan 0.000 0.460 288 Y N 1.173 121.313 120.300 -0.267 0.000 2.181 288 Y HA -0.129 4.430 4.550 0.014 0.000 0.288 288 Y C 2.025 177.743 175.900 -0.304 0.000 1.146 288 Y CA 1.314 59.185 58.100 -0.381 0.000 1.164 288 Y CB -0.369 37.543 38.460 -0.912 0.000 0.982 288 Y HN -0.071 nan 8.280 nan 0.000 0.515 289 L N 0.077 121.061 121.223 -0.397 0.000 2.083 289 L HA -0.235 4.119 4.340 0.022 0.000 0.209 289 L C 2.390 179.122 176.870 -0.229 0.000 1.083 289 L CA 1.696 56.320 54.840 -0.360 0.000 0.752 289 L CB -0.692 41.200 42.059 -0.279 0.000 0.899 289 L HN 0.321 nan 8.230 nan 0.000 0.433 290 D N 0.404 120.724 120.400 -0.134 0.000 2.221 290 D HA -0.210 4.444 4.640 0.022 0.000 0.204 290 D C 1.923 178.196 176.300 -0.045 0.000 0.982 290 D CA 1.958 55.928 54.000 -0.050 0.000 0.857 290 D CB 0.492 41.302 40.800 0.016 0.000 0.934 290 D HN 0.368 nan 8.370 nan 0.000 0.475 291 I N -1.133 119.382 120.570 -0.092 0.000 3.445 291 I HA 0.295 4.479 4.170 0.022 0.000 0.288 291 I C 1.561 177.588 176.117 -0.150 0.000 1.198 291 I CA 1.157 62.430 61.300 -0.045 0.000 1.417 291 I CB -1.201 36.844 38.000 0.075 0.000 1.205 291 I HN 0.217 nan 8.210 nan 0.000 0.448 302 G N -1.016 107.787 108.800 0.005 0.000 2.350 302 G HA2 0.564 4.537 3.960 0.022 0.000 0.274 302 G HA3 0.564 4.537 3.960 0.022 0.000 0.274 302 G C -0.378 174.532 174.900 0.018 0.000 1.621 302 G CA 0.634 45.743 45.100 0.014 0.000 0.935 302 G HN 1.669 nan 8.290 nan 0.000 0.694 303 S N 0.680 116.396 115.700 0.026 0.000 2.578 303 S HA 0.146 4.629 4.470 0.022 0.000 0.231 303 S C 1.529 176.138 174.600 0.015 0.000 0.994 303 S CA 0.180 58.389 58.200 0.015 0.000 0.956 303 S CB 0.262 63.476 63.200 0.023 0.000 0.870 303 S HN 0.624 nan 8.310 nan 0.000 0.494 304 D N 2.549 122.977 120.400 0.047 0.000 2.133 304 D HA -0.112 4.542 4.640 0.022 0.000 0.195 304 D C 1.627 177.939 176.300 0.019 0.000 0.997 304 D CA 1.169 55.220 54.000 0.085 0.000 0.840 304 D CB -0.161 40.733 40.800 0.156 0.000 0.947 304 D HN 0.397 nan 8.370 nan 0.000 0.452 305 I N 0.936 121.455 120.570 -0.085 0.000 2.113 305 I HA -0.310 3.873 4.170 0.022 0.000 0.238 305 I C 2.518 178.341 176.117 -0.490 0.000 1.070 305 I CA 1.212 62.236 61.300 -0.459 0.000 1.332 305 I CB -0.419 37.400 38.000 -0.301 0.000 1.044 305 I HN 0.023 nan 8.210 nan 0.000 0.402 306 Q N 0.465 120.127 119.800 -0.231 0.000 2.170 306 Q HA -0.160 4.194 4.340 0.022 0.000 0.203 306 Q C 1.312 177.255 176.000 -0.096 0.000 0.976 306 Q CA 1.343 57.057 55.803 -0.149 0.000 0.858 306 Q CB -0.505 28.186 28.738 -0.078 0.000 0.907 306 Q HN 0.453 nan 8.270 nan 0.000 0.433 307 N N 0.902 119.567 118.700 -0.059 0.000 2.398 307 N HA -0.031 4.722 4.740 0.022 0.000 0.188 307 N C -0.405 175.138 175.510 0.054 0.000 1.122 307 N CA 0.299 53.351 53.050 0.005 0.000 0.866 307 N CB 0.035 38.539 38.487 0.030 0.000 0.970 307 N HN 0.265 nan 8.380 nan 0.000 0.462 308 N N 0.801 119.522 118.700 0.036 0.000 2.738 308 N HA -0.173 4.580 4.740 0.022 0.000 0.249 308 N C -1.192 174.609 175.510 0.486 0.000 1.047 308 N CA 0.561 53.775 53.050 0.273 0.000 0.707 308 N CB -0.679 37.958 38.487 0.250 0.000 0.937 308 N HN 0.075 nan 8.380 nan 0.000 0.545 309 K N 0.453 121.109 120.400 0.426 0.000 2.174 309 K HA 0.304 4.637 4.320 0.022 0.000 0.275 309 K C 0.121 176.956 176.600 0.391 0.000 1.015 309 K CA -0.855 55.617 56.287 0.310 0.000 0.933 309 K CB 1.128 33.757 32.500 0.214 0.000 1.025 309 K HN 0.257 nan 8.250 nan 0.000 0.463 310 L N 3.015 124.291 121.223 0.089 0.000 2.342 310 L HA 0.116 4.469 4.340 0.022 0.000 0.285 310 L C 0.033 177.056 176.870 0.256 0.000 1.095 310 L CA 0.428 55.317 54.840 0.083 0.000 0.843 310 L CB 0.011 41.954 42.059 -0.194 0.000 1.201 310 L HN 0.724 nan 8.230 nan 0.000 0.445 311 T N 0.206 114.892 114.554 0.220 0.000 2.942 311 T HA 0.212 4.576 4.350 0.022 0.000 0.289 311 T C 0.519 175.151 174.700 -0.112 0.000 1.044 311 T CA -0.588 61.633 62.100 0.201 0.000 1.023 311 T CB 0.765 69.777 68.868 0.239 0.000 1.123 311 T HN 0.705 nan 8.240 nan 0.000 0.512 312 W N 1.673 122.706 121.300 -0.444 0.000 2.355 312 W HA 0.101 4.774 4.660 0.022 0.000 0.309 312 W C -1.469 174.844 176.519 -0.344 0.000 1.206 312 W CA 1.366 58.364 57.345 -0.579 0.000 1.284 312 W CB -1.296 27.881 29.460 -0.472 0.000 1.145 312 W HN 0.634 nan 8.180 nan 0.000 0.502 313 P HA -0.236 nan 4.420 nan 0.000 0.216 313 P C 1.771 178.760 177.300 -0.518 0.000 1.150 313 P CA 1.806 64.630 63.100 -0.458 0.000 0.843 313 P CB -0.369 30.930 31.700 -0.668 0.000 0.787 314 L N -0.761 120.327 121.223 -0.226 0.000 2.017 314 L HA -0.134 4.220 4.340 0.022 0.000 0.208 314 L C 2.161 178.928 176.870 -0.173 0.000 1.073 314 L CA 1.809 56.610 54.840 -0.065 0.000 0.745 314 L CB -1.222 40.776 42.059 -0.102 0.000 0.894 314 L HN -0.132 nan 8.230 nan 0.000 0.432 315 I N -0.491 119.895 120.570 -0.307 0.000 2.179 315 I HA -0.269 3.914 4.170 0.022 0.000 0.242 315 I C 2.473 178.339 176.117 -0.419 0.000 1.088 315 I CA 1.354 62.462 61.300 -0.320 0.000 1.357 315 I CB -0.425 37.369 38.000 -0.343 0.000 1.051 315 I HN 0.224 nan 8.210 nan 0.000 0.409 316 K N 0.920 120.878 120.400 -0.737 0.000 2.057 316 K HA -0.134 4.199 4.320 0.022 0.000 0.207 316 K C 2.017 178.320 176.600 -0.494 0.000 1.049 316 K CA 1.956 57.767 56.287 -0.794 0.000 0.931 316 K CB -0.692 31.066 32.500 -1.238 0.000 0.714 316 K HN 0.211 nan 8.250 nan 0.000 0.440 317 T N 0.173 114.519 114.554 -0.347 0.000 2.708 317 T HA -0.085 4.278 4.350 0.022 0.000 0.266 317 T C 1.548 176.058 174.700 -0.316 0.000 1.037 317 T CA 1.365 63.307 62.100 -0.263 0.000 1.146 317 T CB -0.443 68.437 68.868 0.020 0.000 0.865 317 T HN 0.157 nan 8.240 nan 0.000 0.435 318 F N 1.571 121.333 119.950 -0.313 0.000 2.216 318 F HA -0.025 4.515 4.527 0.021 0.000 0.300 318 F C 2.422 178.067 175.800 -0.258 0.000 1.085 318 F CA 1.048 58.891 58.000 -0.263 0.000 1.326 318 F CB -0.135 38.742 39.000 -0.206 0.000 1.027 318 F HN 0.202 nan 8.300 nan 0.000 0.497 319 E N -0.290 119.824 120.200 -0.143 0.000 2.106 319 E HA -0.160 4.203 4.350 0.022 0.000 0.192 319 E C 1.812 178.274 176.600 -0.230 0.000 0.984 319 E CA 1.256 57.550 56.400 -0.177 0.000 0.806 319 E CB -0.083 29.476 29.700 -0.234 0.000 0.750 319 E HN 0.399 nan 8.360 nan 0.000 0.458 320 L N 0.089 121.122 121.223 -0.316 0.000 2.731 320 L HA 0.205 4.559 4.340 0.022 0.000 0.240 320 L C 1.076 177.736 176.870 -0.349 0.000 1.120 320 L CA -0.559 54.120 54.840 -0.270 0.000 0.913 320 L CB 0.333 42.257 42.059 -0.225 0.000 1.213 320 L HN 0.193 nan 8.230 nan 0.000 0.515 321 C N -0.336 118.597 119.300 -0.611 0.000 2.500 321 C HA 0.634 5.108 4.460 0.022 0.000 0.367 321 C C 1.393 176.192 174.990 -0.319 0.000 1.283 321 C CA -1.059 57.521 59.018 -0.729 0.000 2.456 321 C CB 0.922 28.064 27.740 -0.996 0.000 2.457 321 C HN 0.417 nan 8.230 nan 0.000 0.632 322 S N 1.147 116.768 115.700 -0.131 0.000 2.603 322 S HA 0.219 4.703 4.470 0.022 0.000 0.268 322 S C 0.891 175.400 174.600 -0.153 0.000 1.317 322 S CA -0.026 58.124 58.200 -0.083 0.000 1.012 322 S CB 0.690 63.896 63.200 0.010 0.000 0.926 322 S HN 0.850 nan 8.310 nan 0.000 0.539 323 E N 1.497 121.623 120.200 -0.124 0.000 2.070 323 E HA -0.092 4.271 4.350 0.022 0.000 0.197 323 E C -0.598 175.940 176.600 -0.104 0.000 1.004 323 E CA 1.591 57.914 56.400 -0.127 0.000 0.805 323 E CB -2.120 27.531 29.700 -0.081 0.000 0.744 323 E HN 0.616 nan 8.360 nan 0.000 0.451 324 P HA -0.075 nan 4.420 nan 0.000 0.218 324 P C 0.783 178.057 177.300 -0.044 0.000 1.149 324 P CA 1.130 64.205 63.100 -0.041 0.000 0.817 324 P CB 0.049 31.738 31.700 -0.019 0.000 0.785 325 D N -0.737 119.630 120.400 -0.055 0.000 2.269 325 D HA -0.070 4.583 4.640 0.022 0.000 0.208 325 D C 1.696 177.921 176.300 -0.126 0.000 0.963 325 D CA 0.871 54.845 54.000 -0.045 0.000 0.864 325 D CB -0.183 40.633 40.800 0.026 0.000 0.936 325 D HN 0.220 nan 8.370 nan 0.000 0.505 326 K N 0.195 120.452 120.400 -0.237 0.000 2.103 326 K HA -0.036 4.297 4.320 0.022 0.000 0.204 326 K C 1.922 178.488 176.600 -0.056 0.000 1.052 326 K CA 0.403 56.501 56.287 -0.315 0.000 0.945 326 K CB 0.277 32.471 32.500 -0.510 0.000 0.722 326 K HN 0.086 nan 8.250 nan 0.000 0.443 327 I N 1.909 122.452 120.570 -0.046 0.000 2.179 327 I HA -0.249 3.935 4.170 0.022 0.000 0.242 327 I C 1.958 178.081 176.117 0.010 0.000 1.088 327 I CA 1.554 62.850 61.300 -0.006 0.000 1.357 327 I CB -0.831 37.161 38.000 -0.014 0.000 1.051 327 I HN 0.149 nan 8.210 nan 0.000 0.409 328 K N 0.642 121.044 120.400 0.004 0.000 2.032 328 K HA -0.161 4.173 4.320 0.022 0.000 0.209 328 K C 2.159 178.784 176.600 0.041 0.000 1.048 328 K CA 1.380 57.678 56.287 0.018 0.000 0.927 328 K CB -0.211 32.301 32.500 0.019 0.000 0.712 328 K HN 0.253 nan 8.250 nan 0.000 0.441 329 I N 0.596 121.203 120.570 0.061 0.000 2.127 329 I HA -0.304 3.879 4.170 0.022 0.000 0.241 329 I C 2.277 178.458 176.117 0.106 0.000 1.075 329 I CA 1.145 62.513 61.300 0.113 0.000 1.334 329 I CB -0.355 37.754 38.000 0.182 0.000 1.040 329 I HN -0.065 nan 8.210 nan 0.000 0.405 330 V N 1.219 121.183 119.914 0.084 0.000 2.324 330 V HA -0.368 3.765 4.120 0.022 0.000 0.250 330 V C 2.942 179.052 176.094 0.028 0.000 1.060 330 V CA 2.686 65.006 62.300 0.032 0.000 1.042 330 V CB -1.264 30.577 31.823 0.030 0.000 0.650 330 V HN 0.588 nan 8.190 nan 0.000 0.450 331 K N -0.340 120.078 120.400 0.031 0.000 2.155 331 K HA -0.082 4.252 4.320 0.022 0.000 0.203 331 K C 1.659 178.274 176.600 0.024 0.000 1.052 331 K CA 1.569 57.869 56.287 0.020 0.000 0.948 331 K CB -0.542 31.966 32.500 0.013 0.000 0.728 331 K HN 0.662 nan 8.250 nan 0.000 0.448 332 N N -1.655 117.071 118.700 0.043 0.000 2.294 332 N HA 0.071 4.824 4.740 0.022 0.000 0.186 332 N C -0.568 174.968 175.510 0.044 0.000 1.107 332 N CA -0.196 52.871 53.050 0.030 0.000 0.884 332 N CB 0.433 38.931 38.487 0.018 0.000 1.030 332 N HN 0.469 nan 8.380 nan 0.000 0.482 333 Y N 1.331 121.609 120.300 -0.037 0.000 2.335 333 Y HA 0.341 4.903 4.550 0.021 0.000 0.331 333 Y C 1.286 177.168 175.900 -0.031 0.000 1.094 333 Y CA 0.593 58.672 58.100 -0.034 0.000 1.253 333 Y CB 0.805 39.242 38.460 -0.038 0.000 1.203 333 Y HN 0.302 nan 8.280 nan 0.000 0.508 334 G N 3.860 112.481 108.800 -0.297 0.000 2.149 334 G HA2 -0.211 3.763 3.960 0.022 0.000 0.235 334 G HA3 -0.211 3.763 3.960 0.022 0.000 0.235 334 G C -0.587 174.268 174.900 -0.074 0.000 1.018 334 G CA -0.313 44.704 45.100 -0.137 0.000 0.728 334 G HN 0.396 nan 8.290 nan 0.000 0.508 335 K N 0.340 120.684 120.400 -0.093 0.000 2.244 335 K HA 0.328 4.661 4.320 0.022 0.000 0.260 335 K C -0.043 176.522 176.600 -0.059 0.000 0.951 335 K CA -0.999 55.256 56.287 -0.054 0.000 0.826 335 K CB 1.193 33.670 32.500 -0.038 0.000 1.108 335 K HN 0.070 nan 8.250 nan 0.000 0.433 336 N N 3.326 122.004 118.700 -0.037 0.000 2.878 336 N HA 0.021 4.774 4.740 0.022 0.000 0.282 336 N C -1.052 174.443 175.510 -0.025 0.000 1.284 336 N CA 0.201 53.233 53.050 -0.030 0.000 1.053 336 N CB 0.117 38.594 38.487 -0.015 0.000 1.382 336 N HN 0.443 nan 8.380 nan 0.000 0.529 337 N N -0.083 118.598 118.700 -0.032 0.000 2.258 337 N HA 0.154 4.908 4.740 0.022 0.000 0.299 337 N C 1.431 176.921 175.510 -0.033 0.000 1.047 337 N CA -0.372 52.663 53.050 -0.026 0.000 0.814 337 N CB 1.501 39.974 38.487 -0.023 0.000 1.413 337 N HN -0.123 nan 8.380 nan 0.000 0.478 338 L N 1.123 122.331 121.223 -0.026 0.000 1.994 338 L HA -0.032 4.321 4.340 0.022 0.000 0.208 338 L C 2.492 179.344 176.870 -0.030 0.000 1.071 338 L CA 2.744 57.568 54.840 -0.027 0.000 0.745 338 L CB -1.894 40.153 42.059 -0.019 0.000 0.892 338 L HN 0.756 nan 8.230 nan 0.000 0.431 339 A N -1.751 121.055 122.820 -0.024 0.000 1.948 339 A HA -0.253 4.080 4.320 0.022 0.000 0.220 339 A C 2.569 180.136 177.584 -0.028 0.000 1.177 339 A CA 1.917 53.940 52.037 -0.023 0.000 0.636 339 A CB -1.237 17.753 19.000 -0.017 0.000 0.815 339 A HN 0.750 nan 8.150 nan 0.000 0.449 340 C N -1.577 117.703 119.300 -0.033 0.000 2.453 340 C HA -0.036 4.438 4.460 0.022 0.000 0.277 340 C C 2.770 177.724 174.990 -0.060 0.000 1.262 340 C CA 1.043 60.038 59.018 -0.039 0.000 1.718 340 C CB -1.125 26.591 27.740 -0.040 0.000 2.031 340 C HN 0.475 nan 8.230 nan 0.000 0.480 341 V N 1.293 121.162 119.914 -0.076 0.000 2.343 341 V HA -0.159 3.974 4.120 0.022 0.000 0.247 341 V C 2.853 178.892 176.094 -0.090 0.000 1.051 341 V CA 2.539 64.778 62.300 -0.100 0.000 1.036 341 V CB -1.131 30.639 31.823 -0.089 0.000 0.654 341 V HN 0.685 nan 8.190 nan 0.000 0.451 342 K N -0.414 119.949 120.400 -0.061 0.000 2.147 342 K HA -0.146 4.187 4.320 0.022 0.000 0.205 342 K C 2.148 178.716 176.600 -0.053 0.000 1.049 342 K CA 1.811 58.068 56.287 -0.050 0.000 0.936 342 K CB -1.090 31.391 32.500 -0.032 0.000 0.722 342 K HN 0.377 nan 8.250 nan 0.000 0.446 343 V N 1.269 121.153 119.914 -0.050 0.000 2.307 343 V HA -0.200 3.934 4.120 0.022 0.000 0.245 343 V C 2.435 178.488 176.094 -0.068 0.000 1.045 343 V CA 1.476 63.753 62.300 -0.038 0.000 1.024 343 V CB -0.368 31.444 31.823 -0.019 0.000 0.651 343 V HN 0.525 nan 8.190 nan 0.000 0.449 344 I N 0.241 120.739 120.570 -0.119 0.000 2.179 344 I HA -0.205 3.979 4.170 0.022 0.000 0.242 344 I C 2.322 178.156 176.117 -0.473 0.000 1.088 344 I CA 1.655 62.794 61.300 -0.268 0.000 1.357 344 I CB -1.386 36.480 38.000 -0.224 0.000 1.051 344 I HN 0.329 nan 8.210 nan 0.000 0.409 345 D N 0.988 121.218 120.400 -0.283 0.000 2.123 345 D HA -0.151 4.503 4.640 0.022 0.000 0.196 345 D C 2.415 178.691 176.300 -0.040 0.000 0.992 345 D CA 1.924 55.832 54.000 -0.152 0.000 0.833 345 D CB -0.112 40.652 40.800 -0.060 0.000 0.954 345 D HN 0.400 nan 8.370 nan 0.000 0.455 346 S N 0.070 115.750 115.700 -0.034 0.000 2.383 346 S HA -0.095 4.388 4.470 0.022 0.000 0.227 346 S C 2.267 176.898 174.600 0.051 0.000 1.026 346 S CA 0.561 58.767 58.200 0.009 0.000 0.981 346 S CB -0.636 62.561 63.200 -0.004 0.000 0.818 346 S HN 0.244 nan 8.310 nan 0.000 0.472 347 L N -0.467 120.794 121.223 0.064 0.000 2.093 347 L HA -0.049 4.305 4.340 0.022 0.000 0.208 347 L C 2.647 179.763 176.870 0.410 0.000 1.085 347 L CA 1.216 56.192 54.840 0.226 0.000 0.755 347 L CB -0.668 41.518 42.059 0.211 0.000 0.904 347 L HN 0.272 nan 8.230 nan 0.000 0.435 348 Y N 0.501 120.904 120.300 0.171 0.000 2.293 348 Y HA -0.202 4.360 4.550 0.021 0.000 0.291 348 Y C 2.904 178.892 175.900 0.146 0.000 1.137 348 Y CA 1.188 59.388 58.100 0.167 0.000 1.202 348 Y CB -1.182 37.356 38.460 0.130 0.000 0.990 348 Y HN 0.338 nan 8.280 nan 0.000 0.537 349 E N 0.366 120.711 120.200 0.242 0.000 2.076 349 E HA -0.189 4.175 4.350 0.022 0.000 0.190 349 E C 2.092 178.738 176.600 0.077 0.000 0.979 349 E CA 1.180 57.661 56.400 0.135 0.000 0.807 349 E CB -0.747 29.002 29.700 0.081 0.000 0.761 349 E HN 0.593 nan 8.360 nan 0.000 0.454 350 Q N -1.485 118.328 119.800 0.023 0.000 2.084 350 Q HA -0.122 4.232 4.340 0.022 0.000 0.202 350 Q C 1.199 177.042 176.000 -0.262 0.000 0.978 350 Q CA 1.618 57.326 55.803 -0.158 0.000 0.844 350 Q CB -0.166 28.411 28.738 -0.268 0.000 0.898 350 Q HN 0.731 nan 8.270 nan 0.000 0.426 351 Y N 0.814 121.187 120.300 0.123 0.000 2.495 351 Y HA 0.138 4.701 4.550 0.022 0.000 0.293 351 Y C -0.162 175.874 175.900 0.226 0.000 1.186 351 Y CA -0.232 57.956 58.100 0.145 0.000 1.266 351 Y CB 0.578 39.103 38.460 0.109 0.000 1.101 351 Y HN -0.042 nan 8.280 nan 0.000 0.517 352 K N -0.156 120.375 120.400 0.218 0.000 3.278 352 K HA -0.242 4.091 4.320 0.022 0.000 0.270 352 K C 0.627 177.352 176.600 0.209 0.000 0.955 352 K CA 0.262 56.627 56.287 0.129 0.000 0.723 352 K CB -1.649 30.834 32.500 -0.028 0.000 1.382 352 K HN 0.431 nan 8.250 nan 0.000 0.461 353 I N 0.386 121.144 120.570 0.313 0.000 2.361 353 I HA -0.268 3.916 4.170 0.022 0.000 0.251 353 I C 3.015 179.374 176.117 0.404 0.000 1.133 353 I CA 2.071 63.584 61.300 0.356 0.000 1.413 353 I CB -1.231 36.864 38.000 0.159 0.000 1.073 353 I HN 0.553 nan 8.210 nan 0.000 0.424 354 R N 1.387 122.093 120.500 0.343 0.000 2.083 354 R HA -0.202 4.152 4.340 0.022 0.000 0.237 354 R C 2.530 178.957 176.300 0.211 0.000 1.137 354 R CA 2.399 58.743 56.100 0.406 0.000 0.951 354 R CB -1.660 28.831 30.300 0.318 0.000 0.851 354 R HN 0.513 nan 8.270 nan 0.000 0.434 355 K N 0.545 120.984 120.400 0.064 0.000 2.057 355 K HA -0.171 4.162 4.320 0.022 0.000 0.207 355 K C 2.184 178.738 176.600 -0.075 0.000 1.049 355 K CA 1.940 58.185 56.287 -0.071 0.000 0.931 355 K CB -0.955 31.427 32.500 -0.195 0.000 0.714 355 K HN 0.900 nan 8.250 nan 0.000 0.440 356 H N -2.139 117.043 119.070 0.185 0.000 2.389 356 H HA -0.015 4.557 4.556 0.025 0.000 0.299 356 H C 2.117 177.659 175.328 0.356 0.000 1.081 356 H CA 1.664 57.866 56.048 0.258 0.000 1.345 356 H CB -0.147 29.760 29.762 0.243 0.000 1.393 356 H HN 0.615 nan 8.280 nan 0.000 0.520 357 Y N 1.634 122.099 120.300 0.275 0.000 2.163 357 Y HA -0.224 4.336 4.550 0.017 0.000 0.288 357 Y C 2.584 178.376 175.900 -0.181 0.000 1.136 357 Y CA 1.969 59.980 58.100 -0.148 0.000 1.147 357 Y CB -0.684 37.509 38.460 -0.445 0.000 0.987 357 Y HN 0.327 nan 8.280 nan 0.000 0.509 358 E N -0.122 119.881 120.200 -0.328 0.000 2.085 358 E HA -0.252 4.111 4.350 0.022 0.000 0.194 358 E C 2.398 178.832 176.600 -0.277 0.000 0.994 358 E CA 1.735 57.936 56.400 -0.331 0.000 0.801 358 E CB -1.434 28.190 29.700 -0.126 0.000 0.743 358 E HN 0.533 nan 8.360 nan 0.000 0.453 359 S N -1.355 114.261 115.700 -0.139 0.000 2.368 359 S HA -0.126 4.357 4.470 0.022 0.000 0.224 359 S C 2.020 176.549 174.600 -0.118 0.000 1.029 359 S CA 1.507 59.659 58.200 -0.080 0.000 0.988 359 S CB -0.542 62.673 63.200 0.026 0.000 0.838 359 S HN 0.713 nan 8.310 nan 0.000 0.462 360 Y N 2.123 122.282 120.300 -0.236 0.000 2.145 360 Y HA -0.048 4.514 4.550 0.020 0.000 0.286 360 Y C 2.506 178.180 175.900 -0.378 0.000 1.145 360 Y CA 2.266 60.194 58.100 -0.287 0.000 1.148 360 Y CB -0.602 37.590 38.460 -0.448 0.000 0.981 360 Y HN 0.263 nan 8.280 nan 0.000 0.507 361 E N 1.137 120.934 120.200 -0.672 0.000 2.085 361 E HA -0.282 4.082 4.350 0.022 0.000 0.194 361 E C 2.350 178.730 176.600 -0.366 0.000 0.994 361 E CA 2.294 58.324 56.400 -0.616 0.000 0.801 361 E CB -0.165 29.057 29.700 -0.797 0.000 0.743 361 E HN 0.584 nan 8.360 nan 0.000 0.453 362 K N 0.633 120.840 120.400 -0.320 0.000 2.026 362 K HA 0.030 4.363 4.320 0.022 0.000 0.208 362 K C 2.260 178.721 176.600 -0.233 0.000 1.048 362 K CA 1.700 57.853 56.287 -0.224 0.000 0.929 362 K CB -1.073 31.325 32.500 -0.170 0.000 0.713 362 K HN 0.311 nan 8.250 nan 0.000 0.439 363 A N 0.351 123.008 122.820 -0.272 0.000 1.898 363 A HA -0.146 4.187 4.320 0.022 0.000 0.216 363 A C 2.395 179.797 177.584 -0.305 0.000 1.181 363 A CA 2.073 53.963 52.037 -0.246 0.000 0.620 363 A CB -0.355 18.522 19.000 -0.205 0.000 0.819 363 A HN 0.608 nan 8.150 nan 0.000 0.442 364 Q N 0.006 119.512 119.800 -0.490 0.000 2.123 364 Q HA -0.092 4.261 4.340 0.022 0.000 0.199 364 Q C 2.023 177.815 176.000 -0.347 0.000 0.966 364 Q CA 2.006 57.548 55.803 -0.436 0.000 0.845 364 Q CB -0.251 28.095 28.738 -0.652 0.000 0.907 364 Q HN 0.644 nan 8.270 nan 0.000 0.439 365 K N -0.705 119.494 120.400 -0.335 0.000 2.032 365 K HA -0.145 4.188 4.320 0.022 0.000 0.209 365 K C 1.869 178.294 176.600 -0.290 0.000 1.048 365 K CA 1.273 57.325 56.287 -0.393 0.000 0.927 365 K CB -0.282 32.052 32.500 -0.277 0.000 0.712 365 K HN 0.271 nan 8.250 nan 0.000 0.441 366 A N 1.279 123.967 122.820 -0.220 0.000 1.933 366 A HA -0.201 4.133 4.320 0.022 0.000 0.218 366 A C 2.014 179.504 177.584 -0.158 0.000 1.175 366 A CA 1.776 53.713 52.037 -0.166 0.000 0.628 366 A CB -0.391 18.527 19.000 -0.136 0.000 0.814 366 A HN 0.337 nan 8.150 nan 0.000 0.444 367 K N -0.440 119.857 120.400 -0.172 0.000 2.097 367 K HA -0.024 4.309 4.320 0.022 0.000 0.205 367 K C 1.741 178.245 176.600 -0.160 0.000 1.050 367 K CA 1.318 57.519 56.287 -0.144 0.000 0.938 367 K CB -0.271 32.151 32.500 -0.130 0.000 0.718 367 K HN 0.538 nan 8.250 nan 0.000 0.442 368 I N 0.859 121.295 120.570 -0.223 0.000 2.163 368 I HA -0.291 3.892 4.170 0.022 0.000 0.240 368 I C 2.106 178.107 176.117 -0.194 0.000 1.081 368 I CA 1.053 62.209 61.300 -0.240 0.000 1.353 368 I CB -0.259 37.522 38.000 -0.365 0.000 1.054 368 I HN 0.136 nan 8.210 nan 0.000 0.407 369 L N 0.015 121.122 121.223 -0.193 0.000 2.043 369 L HA -0.279 4.074 4.340 0.022 0.000 0.212 369 L C 2.764 179.565 176.870 -0.116 0.000 1.075 369 L CA 1.631 56.382 54.840 -0.148 0.000 0.752 369 L CB -0.649 41.327 42.059 -0.139 0.000 0.891 369 L HN 0.298 nan 8.230 nan 0.000 0.432 370 S N -0.492 115.141 115.700 -0.110 0.000 2.368 370 S HA -0.167 4.317 4.470 0.022 0.000 0.225 370 S C 2.073 176.618 174.600 -0.091 0.000 1.030 370 S CA 1.242 59.389 58.200 -0.088 0.000 0.999 370 S CB -0.048 63.104 63.200 -0.079 0.000 0.844 370 S HN 0.453 nan 8.310 nan 0.000 0.459 371 A N 1.071 123.830 122.820 -0.103 0.000 1.929 371 A HA 0.122 4.456 4.320 0.022 0.000 0.216 371 A C 2.086 179.602 177.584 -0.114 0.000 1.176 371 A CA 1.130 53.105 52.037 -0.103 0.000 0.628 371 A CB -0.628 18.310 19.000 -0.104 0.000 0.816 371 A HN 0.615 nan 8.150 nan 0.000 0.444 372 I N 0.194 120.695 120.570 -0.114 0.000 2.179 372 I HA -0.252 3.931 4.170 0.022 0.000 0.242 372 I C 1.960 178.015 176.117 -0.104 0.000 1.088 372 I CA 1.102 62.339 61.300 -0.105 0.000 1.357 372 I CB -0.433 37.506 38.000 -0.102 0.000 1.051 372 I HN 0.303 nan 8.210 nan 0.000 0.409 373 N N 0.638 119.280 118.700 -0.097 0.000 2.289 373 N HA -0.154 4.599 4.740 0.022 0.000 0.184 373 N C 1.354 176.773 175.510 -0.151 0.000 1.016 373 N CA 1.025 54.026 53.050 -0.081 0.000 0.872 373 N CB -0.169 38.287 38.487 -0.051 0.000 0.973 373 N HN 0.349 nan 8.380 nan 0.000 0.433 374 E N 0.438 120.510 120.200 -0.214 0.000 2.445 374 E HA 0.021 4.385 4.350 0.022 0.000 0.189 374 E C 1.353 177.573 176.600 -0.634 0.000 1.069 374 E CA -0.216 55.950 56.400 -0.390 0.000 0.871 374 E CB 0.114 29.705 29.700 -0.181 0.000 0.991 374 E HN 0.199 nan 8.360 nan 0.000 0.481 375 L N 0.534 121.493 121.223 -0.439 0.000 2.131 375 L HA -0.043 4.311 4.340 0.022 0.000 0.206 375 L C 0.064 176.808 176.870 -0.209 0.000 1.087 375 L CA 1.294 55.975 54.840 -0.265 0.000 0.767 375 L CB -0.280 41.710 42.059 -0.115 0.000 0.917 375 L HN 0.237 nan 8.230 nan 0.000 0.441 376 H N 0.208 119.302 119.070 0.040 0.000 2.819 376 H HA -0.194 4.375 4.556 0.023 0.000 0.323 376 H C -0.368 175.008 175.328 0.080 0.000 1.243 376 H CA 0.944 57.015 56.048 0.039 0.000 1.163 376 H CB -2.649 27.125 29.762 0.020 0.000 1.493 376 H HN 0.516 nan 8.280 nan 0.000 0.434 377 H N 0.728 119.832 119.070 0.057 0.000 3.289 377 H HA 0.097 4.666 4.556 0.022 0.000 0.330 377 H C 0.848 176.198 175.328 0.036 0.000 1.187 377 H CA -0.341 55.727 56.048 0.034 0.000 1.601 377 H CB 0.695 30.459 29.762 0.003 0.000 1.997 377 H HN 0.280 nan 8.280 nan 0.000 0.489 378 E N 2.560 122.785 120.200 0.042 0.000 2.085 378 E HA -0.117 4.246 4.350 0.022 0.000 0.194 378 E C 1.774 178.487 176.600 0.188 0.000 0.994 378 E CA 1.370 57.823 56.400 0.087 0.000 0.801 378 E CB 0.123 29.832 29.700 0.016 0.000 0.743 378 E HN 0.829 nan 8.360 nan 0.000 0.453 379 G N 1.455 110.416 108.800 0.268 0.000 2.433 379 G HA2 -0.216 3.758 3.960 0.022 0.000 0.216 379 G HA3 -0.216 3.758 3.960 0.022 0.000 0.216 379 G C 1.725 176.804 174.900 0.298 0.000 1.186 379 G CA 0.647 45.968 45.100 0.369 0.000 0.779 379 G HN 0.143 nan 8.290 nan 0.000 0.543 380 I N 0.457 121.205 120.570 0.296 0.000 2.179 380 I HA -0.129 4.054 4.170 0.022 0.000 0.242 380 I C 2.757 178.902 176.117 0.047 0.000 1.088 380 I CA 1.221 62.555 61.300 0.057 0.000 1.357 380 I CB -0.366 37.541 38.000 -0.154 0.000 1.051 380 I HN 0.233 nan 8.210 nan 0.000 0.409 381 E N 0.181 120.433 120.200 0.087 0.000 2.086 381 E HA -0.318 4.045 4.350 0.022 0.000 0.200 381 E C 2.113 178.726 176.600 0.022 0.000 1.012 381 E CA 2.066 58.489 56.400 0.039 0.000 0.812 381 E CB -0.349 29.385 29.700 0.057 0.000 0.743 381 E HN 0.516 nan 8.360 nan 0.000 0.453 382 Y N 1.113 121.377 120.300 -0.060 0.000 2.128 382 Y HA -0.281 4.283 4.550 0.024 0.000 0.284 382 Y C 2.161 177.959 175.900 -0.170 0.000 1.154 382 Y CA 1.478 59.503 58.100 -0.125 0.000 1.149 382 Y CB -0.332 38.019 38.460 -0.183 0.000 0.976 382 Y HN -0.168 nan 8.280 nan 0.000 0.505 383 V N 0.848 120.666 119.914 -0.161 0.000 2.255 383 V HA -0.355 3.778 4.120 0.022 0.000 0.247 383 V C 2.502 178.537 176.094 -0.099 0.000 1.051 383 V CA 2.217 64.413 62.300 -0.174 0.000 1.018 383 V CB -0.891 30.880 31.823 -0.087 0.000 0.641 383 V HN 0.486 nan 8.190 nan 0.000 0.445 384 L N -0.665 120.511 121.223 -0.079 0.000 2.083 384 L HA -0.195 4.158 4.340 0.022 0.000 0.209 384 L C 2.630 179.437 176.870 -0.104 0.000 1.083 384 L CA 1.685 56.485 54.840 -0.067 0.000 0.752 384 L CB -0.666 41.357 42.059 -0.061 0.000 0.899 384 L HN 0.316 nan 8.230 nan 0.000 0.433 385 K N -0.794 119.524 120.400 -0.138 0.000 2.057 385 K HA -0.214 4.120 4.320 0.022 0.000 0.206 385 K C 2.141 178.637 176.600 -0.173 0.000 1.050 385 K CA 1.488 57.681 56.287 -0.156 0.000 0.935 385 K CB -0.253 32.157 32.500 -0.150 0.000 0.715 385 K HN 0.181 nan 8.250 nan 0.000 0.439 386 Y N 1.785 121.858 120.300 -0.377 0.000 2.133 386 Y HA -0.246 4.319 4.550 0.024 0.000 0.287 386 Y C 2.271 178.057 175.900 -0.189 0.000 1.134 386 Y CA 1.614 59.498 58.100 -0.361 0.000 1.133 386 Y CB -0.684 37.435 38.460 -0.568 0.000 0.987 386 Y HN -0.065 nan 8.280 nan 0.000 0.502 387 L N -0.059 121.018 121.223 -0.244 0.000 2.079 387 L HA -0.115 4.239 4.340 0.022 0.000 0.210 387 L C 2.420 179.210 176.870 -0.133 0.000 1.081 387 L CA 2.335 57.037 54.840 -0.230 0.000 0.752 387 L CB -1.954 40.067 42.059 -0.063 0.000 0.896 387 L HN 0.563 nan 8.230 nan 0.000 0.433 388 L N -0.579 120.596 121.223 -0.079 0.000 2.046 388 L HA -0.158 4.195 4.340 0.022 0.000 0.208 388 L C 2.802 179.659 176.870 -0.021 0.000 1.077 388 L CA 2.194 57.026 54.840 -0.012 0.000 0.747 388 L CB -0.542 41.425 42.059 -0.152 0.000 0.896 388 L HN 0.584 nan 8.230 nan 0.000 0.432 389 E N -0.059 120.063 120.200 -0.131 0.000 2.033 389 E HA -0.115 4.249 4.350 0.022 0.000 0.189 389 E C 2.562 179.085 176.600 -0.129 0.000 0.979 389 E CA 1.733 58.060 56.400 -0.122 0.000 0.802 389 E CB -1.063 28.552 29.700 -0.142 0.000 0.763 389 E HN 0.552 nan 8.360 nan 0.000 0.449 390 I N 1.510 121.907 120.570 -0.288 0.000 2.226 390 I HA -0.095 4.088 4.170 0.022 0.000 0.245 390 I C 1.859 177.897 176.117 -0.132 0.000 1.100 390 I CA 1.044 62.169 61.300 -0.292 0.000 1.374 390 I CB -0.913 36.720 38.000 -0.611 0.000 1.057 390 I HN -0.061 nan 8.210 nan 0.000 0.413 391 L N 0.000 121.175 121.223 -0.080 0.000 2.949 391 L HA 0.000 4.353 4.340 0.022 0.000 0.249 391 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 391 L CB 0.000 41.909 42.059 -0.250 0.000 0.961 391 L HN 0.000 nan 8.230 nan 0.000 0.502