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 2o2j_1_B DATA FIRST_RESID 29 DATA SEQUENCE YVPEALMAVI EEVTAAYQKE RVSQDFLDDL DRLQANYAGR PSPLYEATRL DATA SEQUENCE SQHAGSARIF LKREDLNHTG SHKINNVLGQ ALLARRMGKT RVIAETGAGQ DATA SEQUENCE HGVATATACA LLGLDCVIYM GGIDTARQAL NVARMRLLGA EVVAVQTGSK DATA SEQUENCE TLKDAINEAF RDWVANADNT YYCFGTAAGP HPFPTMVRDF QRIIGMEARV DATA SEQUENCE QIQGQAGRLP DAVVACVGGG SNAIGIFHAF LDDPGVRLVG FEAAGDXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXRVDY RPITDSEAMD AFGLLCRMEG IIPAIESAHA VAGALKLGVE DATA SEQUENCE LGRGAVIVVN LSGRGDKDVE TAAKWF 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 29 Y HA 0.000 nan 4.550 nan 0.000 0.201 29 Y C 0.000 175.898 175.900 -0.003 0.000 1.272 29 Y CA 0.000 58.109 58.100 0.014 0.000 1.940 29 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 30 V N 3.076 123.040 119.914 0.084 0.000 2.498 30 V HA 0.401 4.521 4.120 0.001 0.000 0.283 30 V C -2.408 173.579 176.094 -0.179 0.000 1.015 30 V CA -1.701 60.536 62.300 -0.106 0.000 0.867 30 V CB 1.611 33.346 31.823 -0.147 0.000 1.025 30 V HN -0.102 nan 8.190 nan 0.000 0.441 31 P HA -0.068 nan 4.420 nan 0.000 0.255 31 P C 1.003 178.156 177.300 -0.245 0.000 1.151 31 P CA 0.623 63.590 63.100 -0.222 0.000 0.767 31 P CB 0.530 32.072 31.700 -0.265 0.000 0.736 32 E N 3.791 123.892 120.200 -0.165 0.000 2.204 32 E HA -0.248 4.103 4.350 0.001 0.000 0.195 32 E C 1.810 178.302 176.600 -0.179 0.000 0.990 32 E CA 1.076 57.385 56.400 -0.153 0.000 0.821 32 E CB -0.113 29.524 29.700 -0.105 0.000 0.750 32 E HN 0.526 nan 8.360 nan 0.000 0.477 33 A N 1.376 124.086 122.820 -0.183 0.000 1.954 33 A HA -0.230 4.090 4.320 0.001 0.000 0.222 33 A C 2.135 179.531 177.584 -0.315 0.000 1.199 33 A CA 1.616 53.527 52.037 -0.211 0.000 0.657 33 A CB -0.859 18.031 19.000 -0.183 0.000 0.823 33 A HN 0.376 nan 8.150 nan 0.000 0.463 34 L N -1.583 119.390 121.223 -0.417 0.000 2.551 34 L HA -0.110 4.230 4.340 0.001 0.000 0.228 34 L C 2.455 179.066 176.870 -0.431 0.000 1.153 34 L CA 0.295 54.791 54.840 -0.573 0.000 0.851 34 L CB -0.410 41.224 42.059 -0.708 0.000 0.959 34 L HN 0.314 nan 8.230 nan 0.000 0.451 35 M N 0.062 119.487 119.600 -0.291 0.000 2.175 35 M HA -0.091 4.390 4.480 0.001 0.000 0.264 35 M C 2.333 178.536 176.300 -0.162 0.000 1.063 35 M CA 1.653 56.834 55.300 -0.199 0.000 1.119 35 M CB -0.835 31.676 32.600 -0.148 0.000 1.377 35 M HN 0.218 nan 8.290 nan 0.000 0.415 36 A N -1.851 120.863 122.820 -0.177 0.000 2.167 36 A HA 0.068 4.389 4.320 0.001 0.000 0.214 36 A C 2.317 179.821 177.584 -0.134 0.000 1.151 36 A CA 0.935 52.897 52.037 -0.124 0.000 0.735 36 A CB -0.474 18.459 19.000 -0.112 0.000 0.802 36 A HN 0.290 nan 8.150 nan 0.000 0.467 37 V N -0.465 119.294 119.914 -0.258 0.000 2.403 37 V HA -0.063 4.058 4.120 0.001 0.000 0.239 37 V C 2.246 178.303 176.094 -0.062 0.000 1.041 37 V CA 1.268 63.388 62.300 -0.301 0.000 1.051 37 V CB -0.351 31.029 31.823 -0.738 0.000 0.704 37 V HN 0.548 nan 8.190 nan 0.000 0.472 38 I N 0.702 121.226 120.570 -0.077 0.000 2.103 38 I HA -0.389 3.781 4.170 0.001 0.000 0.241 38 I C 2.629 178.937 176.117 0.319 0.000 1.036 38 I CA 2.517 63.989 61.300 0.286 0.000 1.300 38 I CB -0.533 37.459 38.000 -0.012 0.000 1.010 38 I HN 0.537 nan 8.210 nan 0.000 0.406 39 E N 1.204 121.474 120.200 0.117 0.000 2.108 39 E HA -0.361 3.989 4.350 0.001 0.000 0.203 39 E C 2.067 178.749 176.600 0.137 0.000 1.022 39 E CA 2.150 58.619 56.400 0.115 0.000 0.823 39 E CB -0.397 29.326 29.700 0.038 0.000 0.744 39 E HN 0.607 nan 8.360 nan 0.000 0.456 40 E N 0.069 120.336 120.200 0.112 0.000 2.160 40 E HA -0.158 4.192 4.350 0.001 0.000 0.195 40 E C 2.150 178.852 176.600 0.169 0.000 0.991 40 E CA 1.364 57.835 56.400 0.119 0.000 0.810 40 E CB 0.181 29.939 29.700 0.098 0.000 0.742 40 E HN 0.259 nan 8.360 nan 0.000 0.466 41 V N 0.210 120.271 119.914 0.245 0.000 2.256 41 V HA -0.200 3.920 4.120 0.001 0.000 0.240 41 V C 2.424 178.593 176.094 0.124 0.000 1.036 41 V CA 1.988 64.403 62.300 0.192 0.000 1.008 41 V CB -0.999 30.904 31.823 0.134 0.000 0.648 41 V HN 0.285 nan 8.190 nan 0.000 0.453 42 T N 0.556 115.277 114.554 0.278 0.000 2.653 42 T HA -0.350 4.000 4.350 0.001 0.000 0.267 42 T C 1.981 176.796 174.700 0.192 0.000 1.037 42 T CA 2.301 64.584 62.100 0.305 0.000 1.159 42 T CB -0.547 68.548 68.868 0.379 0.000 0.859 42 T HN 0.595 nan 8.240 nan 0.000 0.449 43 A N 1.244 124.154 122.820 0.149 0.000 1.851 43 A HA 0.050 4.370 4.320 0.001 0.000 0.216 43 A C 2.679 180.301 177.584 0.065 0.000 1.195 43 A CA 2.321 54.413 52.037 0.092 0.000 0.622 43 A CB -1.321 17.726 19.000 0.079 0.000 0.831 43 A HN 0.580 nan 8.150 nan 0.000 0.444 44 A N -1.892 120.977 122.820 0.081 0.000 1.940 44 A HA -0.108 4.213 4.320 0.001 0.000 0.219 44 A C 2.136 179.729 177.584 0.016 0.000 1.176 44 A CA 1.832 53.902 52.037 0.055 0.000 0.631 44 A CB -0.770 18.281 19.000 0.085 0.000 0.814 44 A HN 0.724 nan 8.150 nan 0.000 0.446 45 Y N 0.072 120.326 120.300 -0.076 0.000 2.070 45 Y HA -0.230 4.321 4.550 0.001 0.000 0.279 45 Y C 2.540 178.373 175.900 -0.112 0.000 1.134 45 Y CA 2.275 60.284 58.100 -0.152 0.000 1.113 45 Y CB -0.978 37.379 38.460 -0.171 0.000 0.981 45 Y HN 0.393 nan 8.280 nan 0.000 0.487 46 Q N 0.770 120.455 119.800 -0.192 0.000 2.007 46 Q HA -0.369 3.971 4.340 0.001 0.000 0.214 46 Q C 2.317 178.177 176.000 -0.234 0.000 1.031 46 Q CA 3.038 58.725 55.803 -0.193 0.000 0.886 46 Q CB -0.557 28.159 28.738 -0.036 0.000 0.992 46 Q HN 0.465 nan 8.270 nan 0.000 0.415 47 K N -0.702 119.616 120.400 -0.137 0.000 2.277 47 K HA -0.283 4.037 4.320 0.001 0.000 0.206 47 K C 1.568 178.070 176.600 -0.163 0.000 1.044 47 K CA 1.733 57.952 56.287 -0.113 0.000 0.932 47 K CB 0.049 32.516 32.500 -0.056 0.000 0.726 47 K HN 0.184 nan 8.250 nan 0.000 0.473 48 E N -0.231 119.778 120.200 -0.319 0.000 2.099 48 E HA 0.004 4.354 4.350 0.001 0.000 0.191 48 E C 1.753 178.152 176.600 -0.335 0.000 0.962 48 E CA 0.507 56.707 56.400 -0.333 0.000 0.826 48 E CB -0.049 29.296 29.700 -0.592 0.000 0.788 48 E HN 0.223 nan 8.360 nan 0.000 0.461 49 R N 0.742 120.890 120.500 -0.588 0.000 2.276 49 R HA -0.117 4.224 4.340 0.001 0.000 0.243 49 R C 2.177 178.389 176.300 -0.148 0.000 1.161 49 R CA 0.565 56.444 56.100 -0.368 0.000 1.007 49 R CB -0.481 29.570 30.300 -0.415 0.000 0.867 49 R HN 0.023 nan 8.270 nan 0.000 0.472 50 V N 0.406 120.244 119.914 -0.126 0.000 2.453 50 V HA -0.232 3.889 4.120 0.001 0.000 0.252 50 V C 1.038 177.120 176.094 -0.019 0.000 1.068 50 V CA 1.994 64.260 62.300 -0.057 0.000 1.070 50 V CB -0.055 31.739 31.823 -0.048 0.000 0.664 50 V HN 0.547 nan 8.190 nan 0.000 0.461 51 S N -3.688 112.007 115.700 -0.009 0.000 2.752 51 S HA 0.304 4.774 4.470 0.001 0.000 0.284 51 S C 0.201 174.833 174.600 0.054 0.000 1.189 51 S CA -0.579 57.635 58.200 0.025 0.000 0.835 51 S CB 1.382 64.595 63.200 0.022 0.000 1.192 51 S HN -0.009 nan 8.310 nan 0.000 0.506 52 Q N 0.705 120.543 119.800 0.063 0.000 2.439 52 Q HA -0.087 4.253 4.340 0.001 0.000 0.211 52 Q C 0.880 176.924 176.000 0.074 0.000 0.978 52 Q CA 1.234 57.083 55.803 0.075 0.000 0.897 52 Q CB -0.600 28.167 28.738 0.048 0.000 0.956 52 Q HN 0.639 nan 8.270 nan 0.000 0.483 53 D N -0.337 120.105 120.400 0.071 0.000 2.092 53 D HA -0.178 4.462 4.640 0.001 0.000 0.193 53 D C 1.642 177.991 176.300 0.081 0.000 0.994 53 D CA 0.939 54.974 54.000 0.058 0.000 0.828 53 D CB -0.413 40.422 40.800 0.059 0.000 0.963 53 D HN 0.275 nan 8.370 nan 0.000 0.450 54 F N 1.516 121.467 119.950 0.001 0.000 2.102 54 F HA -0.146 4.381 4.527 0.001 0.000 0.298 54 F C 2.281 178.092 175.800 0.018 0.000 1.105 54 F CA 1.132 59.142 58.000 0.016 0.000 1.239 54 F CB -0.261 38.768 39.000 0.049 0.000 0.991 54 F HN -0.139 nan 8.300 nan 0.000 0.474 55 L N 0.009 121.359 121.223 0.213 0.000 2.083 55 L HA -0.209 4.131 4.340 0.001 0.000 0.209 55 L C 2.211 179.035 176.870 -0.076 0.000 1.083 55 L CA 1.252 56.127 54.840 0.059 0.000 0.752 55 L CB -0.871 41.294 42.059 0.176 0.000 0.899 55 L HN 0.139 nan 8.230 nan 0.000 0.433 56 D N 0.338 120.716 120.400 -0.037 0.000 2.087 56 D HA -0.204 4.437 4.640 0.001 0.000 0.192 56 D C 1.758 177.985 176.300 -0.122 0.000 0.993 56 D CA 1.472 55.436 54.000 -0.060 0.000 0.828 56 D CB -0.180 40.601 40.800 -0.031 0.000 0.968 56 D HN 0.275 nan 8.370 nan 0.000 0.448 57 D N 0.177 120.477 120.400 -0.168 0.000 2.133 57 D HA -0.164 4.476 4.640 0.001 0.000 0.195 57 D C 2.160 178.279 176.300 -0.302 0.000 0.997 57 D CA 0.407 54.272 54.000 -0.226 0.000 0.840 57 D CB -0.424 40.234 40.800 -0.237 0.000 0.947 57 D HN 0.172 nan 8.370 nan 0.000 0.452 58 L N 1.272 122.240 121.223 -0.425 0.000 2.017 58 L HA -0.138 4.202 4.340 0.001 0.000 0.208 58 L C 1.771 178.485 176.870 -0.260 0.000 1.073 58 L CA 1.838 56.417 54.840 -0.436 0.000 0.745 58 L CB -0.708 41.020 42.059 -0.551 0.000 0.894 58 L HN -0.050 nan 8.230 nan 0.000 0.432 59 D N -0.718 119.570 120.400 -0.187 0.000 2.133 59 D HA -0.276 4.364 4.640 0.001 0.000 0.195 59 D C 2.241 178.481 176.300 -0.099 0.000 0.997 59 D CA 1.280 55.213 54.000 -0.112 0.000 0.840 59 D CB 0.047 40.802 40.800 -0.076 0.000 0.947 59 D HN 0.336 nan 8.370 nan 0.000 0.452 60 R N -0.001 120.432 120.500 -0.111 0.000 2.075 60 R HA -0.122 4.218 4.340 0.001 0.000 0.232 60 R C 2.624 178.858 176.300 -0.109 0.000 1.126 60 R CA 0.627 56.671 56.100 -0.093 0.000 0.963 60 R CB -0.421 29.822 30.300 -0.095 0.000 0.858 60 R HN 0.225 nan 8.270 nan 0.000 0.435 61 L N 1.814 122.943 121.223 -0.157 0.000 2.191 61 L HA -0.164 4.176 4.340 0.001 0.000 0.212 61 L C 1.916 178.686 176.870 -0.166 0.000 1.103 61 L CA 1.628 56.358 54.840 -0.183 0.000 0.769 61 L CB -0.177 41.738 42.059 -0.241 0.000 0.908 61 L HN 0.214 nan 8.230 nan 0.000 0.438 62 Q N 0.069 119.796 119.800 -0.123 0.000 2.444 62 Q HA 0.224 4.565 4.340 0.001 0.000 0.206 62 Q C 0.877 176.896 176.000 0.031 0.000 0.948 62 Q CA 0.441 56.217 55.803 -0.044 0.000 0.946 62 Q CB -0.420 28.300 28.738 -0.031 0.000 1.027 62 Q HN 0.523 nan 8.270 nan 0.000 0.513 63 A N 2.416 125.237 122.820 0.001 0.000 2.522 63 A HA 0.095 4.415 4.320 0.001 0.000 0.256 63 A C 0.231 177.848 177.584 0.055 0.000 1.086 63 A CA -0.154 51.893 52.037 0.017 0.000 0.763 63 A CB -0.101 18.895 19.000 -0.007 0.000 1.024 63 A HN 0.488 nan 8.150 nan 0.000 0.502 64 N N -0.102 118.627 118.700 0.048 0.000 2.936 64 N HA -0.270 4.470 4.740 0.001 0.000 0.236 64 N C 0.403 175.945 175.510 0.053 0.000 0.930 64 N CA 1.950 55.022 53.050 0.036 0.000 0.966 64 N CB -1.607 36.898 38.487 0.030 0.000 1.090 64 N HN 0.868 nan 8.380 nan 0.000 0.592 65 Y N 0.362 120.642 120.300 -0.034 0.000 2.176 65 Y HA 0.326 4.876 4.550 0.001 0.000 0.291 65 Y C 1.216 177.099 175.900 -0.028 0.000 1.122 65 Y CA 2.060 60.139 58.100 -0.035 0.000 1.128 65 Y CB 0.196 38.629 38.460 -0.046 0.000 1.005 65 Y HN 0.174 nan 8.280 nan 0.000 0.509 66 A N -1.299 121.496 122.820 -0.041 0.000 3.455 66 A HA 0.539 4.859 4.320 0.001 0.000 0.225 66 A C 0.741 178.320 177.584 -0.009 0.000 1.052 66 A CA 0.185 52.154 52.037 -0.114 0.000 1.005 66 A CB -0.453 18.529 19.000 -0.030 0.000 1.318 66 A HN 0.965 nan 8.150 nan 0.000 0.639 67 G N 0.122 108.907 108.800 -0.024 0.000 2.241 67 G HA2 -0.212 3.748 3.960 0.001 0.000 0.244 67 G HA3 -0.212 3.748 3.960 0.001 0.000 0.244 67 G C 0.273 175.178 174.900 0.009 0.000 0.998 67 G CA 0.148 45.239 45.100 -0.014 0.000 0.621 67 G HN 0.659 nan 8.290 nan 0.000 0.519 68 R N 1.342 121.864 120.500 0.035 0.000 2.404 68 R HA 0.554 4.895 4.340 0.001 0.000 0.291 68 R C -2.349 173.964 176.300 0.022 0.000 1.025 68 R CA -2.195 53.925 56.100 0.032 0.000 0.991 68 R CB 1.118 31.440 30.300 0.037 0.000 1.053 68 R HN 0.331 nan 8.270 nan 0.000 0.479 69 P HA 0.161 nan 4.420 nan 0.000 0.281 69 P C -0.612 176.696 177.300 0.014 0.000 1.264 69 P CA -0.499 62.611 63.100 0.017 0.000 0.824 69 P CB 1.081 32.790 31.700 0.014 0.000 1.092 70 S N 1.016 116.725 115.700 0.016 0.000 2.617 70 S HA 0.432 4.903 4.470 0.001 0.000 0.269 70 S C -2.410 172.205 174.600 0.024 0.000 1.292 70 S CA -1.327 56.877 58.200 0.006 0.000 1.010 70 S CB -0.622 62.578 63.200 0.000 0.000 0.944 70 S HN 0.307 nan 8.310 nan 0.000 0.536 71 P HA 0.316 nan 4.420 nan 0.000 0.272 71 P C -1.030 176.326 177.300 0.095 0.000 1.223 71 P CA -0.489 62.646 63.100 0.058 0.000 0.784 71 P CB 0.348 32.079 31.700 0.051 0.000 0.923 72 L N 4.106 125.405 121.223 0.128 0.000 2.342 72 L HA 0.471 4.811 4.340 0.001 0.000 0.276 72 L C -1.540 175.478 176.870 0.246 0.000 0.997 72 L CA -0.793 54.147 54.840 0.167 0.000 0.838 72 L CB 0.546 42.678 42.059 0.121 0.000 1.224 72 L HN 0.220 nan 8.230 nan 0.000 0.416 73 Y N 4.036 124.407 120.300 0.119 0.000 2.335 73 Y HA 0.405 4.956 4.550 0.001 0.000 0.339 73 Y C -0.141 175.794 175.900 0.058 0.000 0.987 73 Y CA -0.686 57.460 58.100 0.076 0.000 1.140 73 Y CB 1.087 39.558 38.460 0.017 0.000 1.173 73 Y HN 0.741 nan 8.280 nan 0.000 0.486 74 E N 4.843 124.623 120.200 -0.701 0.000 2.152 74 E HA 0.505 4.856 4.350 0.001 0.000 0.285 74 E C -0.936 175.014 176.600 -1.082 0.000 1.043 74 E CA -0.499 55.372 56.400 -0.882 0.000 0.839 74 E CB 0.507 29.768 29.700 -0.732 0.000 1.069 74 E HN 0.798 nan 8.360 nan 0.000 0.399 75 A N 4.288 126.672 122.820 -0.727 0.000 2.923 75 A HA 0.117 4.437 4.320 0.001 0.000 0.306 75 A C 1.139 178.544 177.584 -0.299 0.000 1.542 75 A CA -0.320 51.466 52.037 -0.418 0.000 1.225 75 A CB -0.376 18.556 19.000 -0.113 0.000 1.147 75 A HN 0.804 nan 8.150 nan 0.000 0.542 76 T N -0.751 113.624 114.554 -0.299 0.000 2.929 76 T HA -0.144 4.207 4.350 0.001 0.000 0.271 76 T C 1.513 176.155 174.700 -0.097 0.000 1.085 76 T CA 1.101 63.081 62.100 -0.199 0.000 1.125 76 T CB -0.226 68.541 68.868 -0.168 0.000 0.874 76 T HN 0.626 nan 8.240 nan 0.000 0.494 77 R N 0.104 120.571 120.500 -0.055 0.000 2.307 77 R HA 0.317 4.658 4.340 0.001 0.000 0.199 77 R C 1.975 178.295 176.300 0.035 0.000 1.000 77 R CA 0.280 56.380 56.100 0.001 0.000 1.023 77 R CB -0.175 30.135 30.300 0.017 0.000 0.908 77 R HN 0.406 nan 8.270 nan 0.000 0.473 78 L N -0.659 120.562 121.223 -0.004 0.000 2.408 78 L HA 0.028 4.369 4.340 0.001 0.000 0.215 78 L C 2.207 179.105 176.870 0.047 0.000 1.081 78 L CA 0.298 55.151 54.840 0.021 0.000 0.840 78 L CB -0.115 41.922 42.059 -0.036 0.000 1.002 78 L HN 0.117 nan 8.230 nan 0.000 0.468 79 S N 0.156 115.846 115.700 -0.016 0.000 2.444 79 S HA -0.290 4.181 4.470 0.001 0.000 0.244 79 S C 1.730 176.327 174.600 -0.005 0.000 1.025 79 S CA 1.797 59.981 58.200 -0.026 0.000 0.995 79 S CB 0.024 63.190 63.200 -0.057 0.000 0.781 79 S HN 0.452 nan 8.310 nan 0.000 0.496 80 Q N -0.451 119.356 119.800 0.011 0.000 2.376 80 Q HA 0.201 4.541 4.340 0.001 0.000 0.206 80 Q C 0.975 176.873 176.000 -0.170 0.000 0.921 80 Q CA 0.747 56.504 55.803 -0.077 0.000 0.911 80 Q CB 0.008 28.681 28.738 -0.109 0.000 1.032 80 Q HN 0.703 nan 8.270 nan 0.000 0.510 81 H N -0.869 118.188 119.070 -0.022 0.000 2.610 81 H HA 0.549 5.105 4.556 0.001 0.000 0.302 81 H C -0.154 175.161 175.328 -0.021 0.000 1.063 81 H CA 0.453 56.490 56.048 -0.017 0.000 1.159 81 H CB 0.511 30.264 29.762 -0.016 0.000 1.427 81 H HN 0.115 nan 8.280 nan 0.000 0.553 82 A N -0.160 122.696 122.820 0.060 0.000 2.758 82 A HA 0.437 4.757 4.320 0.001 0.000 0.223 82 A C 1.335 178.927 177.584 0.013 0.000 0.877 82 A CA 0.058 52.115 52.037 0.033 0.000 1.152 82 A CB -0.160 18.855 19.000 0.024 0.000 1.239 82 A HN 0.333 nan 8.150 nan 0.000 0.470 83 G N -0.510 108.291 108.800 0.003 0.000 2.147 83 G HA2 -0.082 3.878 3.960 0.001 0.000 0.244 83 G HA3 -0.082 3.878 3.960 0.001 0.000 0.244 83 G C 0.743 175.640 174.900 -0.005 0.000 1.005 83 G CA 0.608 45.708 45.100 -0.001 0.000 0.713 83 G HN 1.613 nan 8.290 nan 0.000 0.515 84 S N -2.704 112.989 115.700 -0.012 0.000 3.261 84 S HA -0.153 4.318 4.470 0.001 0.000 0.287 84 S C 1.480 176.075 174.600 -0.008 0.000 1.281 84 S CA 1.454 59.645 58.200 -0.015 0.000 1.053 84 S CB -1.550 61.641 63.200 -0.014 0.000 1.251 84 S HN 2.379 nan 8.310 nan 0.000 0.659 85 A N 1.006 123.825 122.820 -0.001 0.000 2.346 85 A HA 0.576 4.897 4.320 0.001 0.000 0.255 85 A C 0.550 178.127 177.584 -0.012 0.000 1.113 85 A CA 0.032 52.074 52.037 0.009 0.000 0.798 85 A CB 0.281 19.294 19.000 0.022 0.000 1.073 85 A HN 0.525 nan 8.150 nan 0.000 0.502 86 R N 0.443 120.951 120.500 0.013 0.000 2.288 86 R HA 0.423 4.764 4.340 0.001 0.000 0.326 86 R C -1.203 175.062 176.300 -0.059 0.000 0.959 86 R CA -0.637 55.422 56.100 -0.068 0.000 0.834 86 R CB 0.869 31.154 30.300 -0.025 0.000 1.157 86 R HN 0.450 nan 8.270 nan 0.000 0.470 87 I N 3.799 124.267 120.570 -0.170 0.000 2.416 87 I HA 0.229 4.400 4.170 0.001 0.000 0.288 87 I C -0.058 175.883 176.117 -0.292 0.000 1.051 87 I CA -0.746 60.495 61.300 -0.098 0.000 1.375 87 I CB -0.262 37.685 38.000 -0.088 0.000 1.407 87 I HN 0.451 nan 8.210 nan 0.000 0.516 88 F N 6.062 125.990 119.950 -0.037 0.000 2.482 88 F HA 0.531 5.058 4.527 0.001 0.000 0.331 88 F C 0.049 175.853 175.800 0.006 0.000 1.115 88 F CA -0.650 57.327 58.000 -0.038 0.000 0.955 88 F CB 1.453 40.436 39.000 -0.029 0.000 1.136 88 F HN 0.149 nan 8.300 nan 0.000 0.452 89 L N 3.335 124.668 121.223 0.184 0.000 2.296 89 L HA 0.506 4.846 4.340 0.001 0.000 0.286 89 L C -0.309 176.665 176.870 0.174 0.000 1.023 89 L CA -1.083 53.854 54.840 0.163 0.000 0.812 89 L CB 1.384 43.535 42.059 0.154 0.000 1.223 89 L HN 0.389 nan 8.230 nan 0.000 0.421 90 K N 3.645 124.118 120.400 0.121 0.000 2.257 90 K HA 0.199 4.520 4.320 0.001 0.000 0.270 90 K C -0.134 176.506 176.600 0.066 0.000 1.098 90 K CA -0.316 56.031 56.287 0.099 0.000 0.943 90 K CB 0.383 32.931 32.500 0.081 0.000 1.316 90 K HN 0.269 nan 8.250 nan 0.000 0.447 91 R N 3.936 124.474 120.500 0.062 0.000 4.045 91 R HA -0.001 4.339 4.340 0.001 0.000 0.174 91 R C -0.076 176.221 176.300 -0.005 0.000 1.805 91 R CA 0.054 56.167 56.100 0.021 0.000 1.368 91 R CB -0.231 30.072 30.300 0.004 0.000 1.362 91 R HN 0.651 nan 8.270 nan 0.000 0.777 92 E N 0.977 121.174 120.200 -0.004 0.000 2.418 92 E HA -0.130 4.220 4.350 0.001 0.000 0.197 92 E C 0.947 177.527 176.600 -0.033 0.000 1.026 92 E CA 0.727 57.111 56.400 -0.028 0.000 0.862 92 E CB 0.228 29.912 29.700 -0.026 0.000 0.799 92 E HN 0.546 nan 8.360 nan 0.000 0.518 93 D N -0.125 120.268 120.400 -0.012 0.000 2.363 93 D HA -0.110 4.530 4.640 0.001 0.000 0.220 93 D C 1.613 177.948 176.300 0.059 0.000 0.994 93 D CA 0.254 54.263 54.000 0.015 0.000 0.890 93 D CB -0.088 40.710 40.800 -0.003 0.000 0.906 93 D HN 0.236 nan 8.370 nan 0.000 0.530 94 L N -0.188 121.023 121.223 -0.020 0.000 2.616 94 L HA 0.127 4.468 4.340 0.001 0.000 0.229 94 L C 0.224 176.926 176.870 -0.280 0.000 1.110 94 L CA -0.360 54.395 54.840 -0.141 0.000 0.884 94 L CB -0.120 41.843 42.059 -0.159 0.000 1.115 94 L HN -0.218 nan 8.230 nan 0.000 0.481 95 N N 0.963 119.595 118.700 -0.113 0.000 2.411 95 N HA 0.013 4.754 4.740 0.001 0.000 0.261 95 N C -0.224 175.333 175.510 0.078 0.000 1.248 95 N CA 0.515 53.512 53.050 -0.089 0.000 0.885 95 N CB 0.254 38.668 38.487 -0.121 0.000 1.062 95 N HN 0.091 nan 8.380 nan 0.000 0.471 96 H N -0.786 118.279 119.070 -0.009 0.000 2.559 96 H HA 0.219 4.776 4.556 0.001 0.000 0.343 96 H C 0.482 175.846 175.328 0.059 0.000 1.209 96 H CA -0.705 55.350 56.048 0.013 0.000 1.287 96 H CB 0.224 29.988 29.762 0.003 0.000 1.650 96 H HN 0.362 nan 8.280 nan 0.000 0.567 97 T N -0.444 114.231 114.554 0.202 0.000 2.829 97 T HA 0.232 4.582 4.350 0.001 0.000 0.293 97 T C 1.246 176.035 174.700 0.149 0.000 0.970 97 T CA 0.509 62.702 62.100 0.156 0.000 1.168 97 T CB -0.641 68.281 68.868 0.091 0.000 0.911 97 T HN 0.855 nan 8.240 nan 0.000 0.535 98 G N 4.143 113.048 108.800 0.174 0.000 2.269 98 G HA2 -0.315 3.645 3.960 0.001 0.000 0.277 98 G HA3 -0.315 3.645 3.960 0.001 0.000 0.277 98 G C 1.170 176.129 174.900 0.097 0.000 1.008 98 G CA 0.800 45.974 45.100 0.124 0.000 0.774 98 G HN 0.831 nan 8.290 nan 0.000 0.511 99 S N -0.722 115.039 115.700 0.103 0.000 2.368 99 S HA -0.108 4.362 4.470 0.001 0.000 0.224 99 S C 1.908 176.601 174.600 0.155 0.000 1.029 99 S CA 1.527 59.781 58.200 0.090 0.000 0.988 99 S CB -0.296 62.938 63.200 0.056 0.000 0.838 99 S HN 0.750 nan 8.310 nan 0.000 0.462 100 H N 1.886 120.993 119.070 0.062 0.000 2.387 100 H HA -0.031 4.525 4.556 0.001 0.000 0.299 100 H C 1.741 177.121 175.328 0.087 0.000 1.099 100 H CA 1.729 57.821 56.048 0.074 0.000 1.315 100 H CB -0.083 29.728 29.762 0.082 0.000 1.380 100 H HN 0.317 nan 8.280 nan 0.000 0.513 101 K N -0.313 120.105 120.400 0.031 0.000 2.217 101 K HA 0.011 4.331 4.320 0.001 0.000 0.202 101 K C 2.246 178.850 176.600 0.007 0.000 1.051 101 K CA 1.166 57.439 56.287 -0.023 0.000 0.952 101 K CB 0.237 32.770 32.500 0.055 0.000 0.736 101 K HN 0.303 nan 8.250 nan 0.000 0.453 102 I N 1.749 122.344 120.570 0.042 0.000 2.226 102 I HA -0.269 3.901 4.170 0.001 0.000 0.245 102 I C 1.591 177.723 176.117 0.024 0.000 1.100 102 I CA 1.124 62.455 61.300 0.052 0.000 1.374 102 I CB -0.451 37.616 38.000 0.112 0.000 1.057 102 I HN 0.248 nan 8.210 nan 0.000 0.413 103 N N 1.156 119.877 118.700 0.035 0.000 2.244 103 N HA -0.125 4.616 4.740 0.001 0.000 0.183 103 N C 1.560 177.038 175.510 -0.054 0.000 1.016 103 N CA 1.009 54.064 53.050 0.008 0.000 0.866 103 N CB -0.473 38.065 38.487 0.085 0.000 0.980 103 N HN 0.371 nan 8.380 nan 0.000 0.430 104 N N 0.678 119.346 118.700 -0.054 0.000 2.106 104 N HA -0.062 4.679 4.740 0.001 0.000 0.188 104 N C 1.836 177.373 175.510 0.045 0.000 1.029 104 N CA 0.549 53.614 53.050 0.026 0.000 0.848 104 N CB -0.465 38.019 38.487 -0.005 0.000 1.007 104 N HN 0.005 nan 8.380 nan 0.000 0.423 105 V N 1.113 121.027 119.914 0.001 0.000 2.548 105 V HA -0.106 4.014 4.120 0.001 0.000 0.249 105 V C 2.124 178.160 176.094 -0.098 0.000 1.055 105 V CA 0.754 63.038 62.300 -0.026 0.000 1.065 105 V CB -0.306 31.502 31.823 -0.024 0.000 0.681 105 V HN 0.172 nan 8.190 nan 0.000 0.462 106 L N 1.031 122.175 121.223 -0.132 0.000 2.079 106 L HA -0.101 4.239 4.340 0.001 0.000 0.210 106 L C 2.527 179.239 176.870 -0.263 0.000 1.081 106 L CA 2.307 57.025 54.840 -0.203 0.000 0.752 106 L CB -1.752 40.172 42.059 -0.226 0.000 0.896 106 L HN 0.373 nan 8.230 nan 0.000 0.433 107 G N -2.061 106.520 108.800 -0.366 0.000 2.422 107 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 107 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 107 G C 1.558 176.417 174.900 -0.069 0.000 1.140 107 G CA 0.271 45.076 45.100 -0.491 0.000 0.775 107 G HN 0.406 nan 8.290 nan 0.000 0.545 108 Q N -0.170 119.622 119.800 -0.012 0.000 2.079 108 Q HA 0.031 4.371 4.340 0.001 0.000 0.200 108 Q C 2.956 178.754 176.000 -0.336 0.000 0.974 108 Q CA 1.121 56.889 55.803 -0.058 0.000 0.840 108 Q CB -0.160 28.531 28.738 -0.079 0.000 0.898 108 Q HN 0.482 nan 8.270 nan 0.000 0.430 109 A N 0.524 123.188 122.820 -0.260 0.000 2.014 109 A HA -0.124 4.196 4.320 0.001 0.000 0.218 109 A C 1.944 179.384 177.584 -0.240 0.000 1.163 109 A CA 0.741 52.605 52.037 -0.289 0.000 0.652 109 A CB -0.397 18.477 19.000 -0.210 0.000 0.808 109 A HN 0.390 nan 8.150 nan 0.000 0.449 110 L N -0.637 120.475 121.223 -0.186 0.000 2.141 110 L HA -0.029 4.312 4.340 0.001 0.000 0.209 110 L C 2.093 178.982 176.870 0.031 0.000 1.094 110 L CA 1.411 56.172 54.840 -0.133 0.000 0.763 110 L CB -0.338 41.565 42.059 -0.260 0.000 0.908 110 L HN 0.383 nan 8.230 nan 0.000 0.437 111 L N -0.479 120.821 121.223 0.127 0.000 2.042 111 L HA -0.237 4.103 4.340 0.001 0.000 0.210 111 L C 2.615 179.385 176.870 -0.167 0.000 1.076 111 L CA 1.543 56.423 54.840 0.068 0.000 0.749 111 L CB -0.597 41.437 42.059 -0.041 0.000 0.893 111 L HN 0.487 nan 8.230 nan 0.000 0.432 112 A N -0.316 122.239 122.820 -0.443 0.000 1.883 112 A HA -0.244 4.076 4.320 0.001 0.000 0.217 112 A C 2.240 179.774 177.584 -0.084 0.000 1.186 112 A CA 1.467 53.337 52.037 -0.279 0.000 0.624 112 A CB -0.491 18.328 19.000 -0.302 0.000 0.822 112 A HN 0.321 nan 8.150 nan 0.000 0.444 113 R N -0.451 119.997 120.500 -0.088 0.000 2.083 113 R HA -0.069 4.272 4.340 0.001 0.000 0.237 113 R C 2.219 178.520 176.300 0.001 0.000 1.137 113 R CA 1.742 57.820 56.100 -0.037 0.000 0.951 113 R CB -0.735 29.534 30.300 -0.053 0.000 0.851 113 R HN 0.590 nan 8.270 nan 0.000 0.434 114 R N -0.246 120.269 120.500 0.026 0.000 2.152 114 R HA 0.043 4.384 4.340 0.001 0.000 0.232 114 R C 2.189 178.522 176.300 0.055 0.000 1.117 114 R CA 1.129 57.262 56.100 0.056 0.000 0.981 114 R CB -0.124 30.247 30.300 0.118 0.000 0.870 114 R HN 0.167 nan 8.270 nan 0.000 0.451 115 M N -1.265 118.368 119.600 0.055 0.000 2.562 115 M HA 0.093 4.573 4.480 0.001 0.000 0.257 115 M C 0.995 177.339 176.300 0.073 0.000 1.099 115 M CA 0.973 56.319 55.300 0.078 0.000 1.099 115 M CB 0.739 33.412 32.600 0.121 0.000 1.427 115 M HN 0.464 nan 8.290 nan 0.000 0.489 116 G N 0.447 109.279 108.800 0.053 0.000 2.175 116 G HA2 -0.184 3.777 3.960 0.001 0.000 0.244 116 G HA3 -0.184 3.777 3.960 0.001 0.000 0.244 116 G C -0.039 174.897 174.900 0.059 0.000 0.982 116 G CA -0.234 44.895 45.100 0.049 0.000 0.641 116 G HN 0.289 nan 8.290 nan 0.000 0.527 117 K N 0.640 121.087 120.400 0.078 0.000 2.168 117 K HA 0.591 4.911 4.320 0.001 0.000 0.258 117 K C 1.350 177.987 176.600 0.062 0.000 1.010 117 K CA 0.496 56.843 56.287 0.099 0.000 0.929 117 K CB 1.041 33.638 32.500 0.162 0.000 0.998 117 K HN 0.466 nan 8.250 nan 0.000 0.479 118 T N -2.333 112.260 114.554 0.064 0.000 3.016 118 T HA 0.114 4.464 4.350 0.001 0.000 0.271 118 T C 0.515 175.236 174.700 0.035 0.000 0.968 118 T CA -0.465 61.657 62.100 0.036 0.000 0.891 118 T CB 0.202 69.090 68.868 0.033 0.000 1.149 118 T HN 0.635 nan 8.240 nan 0.000 0.524 119 R N 0.227 120.764 120.500 0.061 0.000 2.750 119 R HA 0.801 5.141 4.340 0.001 0.000 0.281 119 R C -2.121 174.222 176.300 0.072 0.000 0.972 119 R CA -0.814 55.318 56.100 0.054 0.000 0.912 119 R CB 2.056 32.392 30.300 0.059 0.000 1.187 119 R HN 0.004 nan 8.270 nan 0.000 0.464 120 V N 4.818 124.753 119.914 0.035 0.000 2.588 120 V HA 0.468 4.589 4.120 0.001 0.000 0.304 120 V C 0.189 176.279 176.094 -0.006 0.000 1.042 120 V CA -0.784 61.535 62.300 0.031 0.000 0.877 120 V CB 1.694 33.511 31.823 -0.011 0.000 0.996 120 V HN 0.786 nan 8.190 nan 0.000 0.425 121 I N 2.098 122.667 120.570 -0.002 0.000 2.910 121 I HA 1.066 5.236 4.170 0.001 0.000 0.310 121 I C -0.323 175.722 176.117 -0.120 0.000 1.043 121 I CA -0.710 60.605 61.300 0.025 0.000 1.053 121 I CB 2.271 40.421 38.000 0.250 0.000 1.242 121 I HN 0.714 nan 8.210 nan 0.000 0.452 122 A N 2.647 125.434 122.820 -0.055 0.000 2.586 122 A HA 0.582 4.902 4.320 0.001 0.000 0.290 122 A C -1.318 176.315 177.584 0.082 0.000 1.086 122 A CA -0.663 51.282 52.037 -0.153 0.000 0.665 122 A CB 1.581 20.390 19.000 -0.319 0.000 1.279 122 A HN 0.890 nan 8.150 nan 0.000 0.423 123 E N 0.165 120.437 120.200 0.120 0.000 2.249 123 E HA 0.765 5.115 4.350 0.001 0.000 0.263 123 E C -1.034 175.643 176.600 0.129 0.000 0.950 123 E CA -0.617 55.866 56.400 0.139 0.000 0.827 123 E CB 2.058 31.812 29.700 0.090 0.000 1.220 123 E HN 0.691 nan 8.360 nan 0.000 0.411 124 T N -0.019 114.590 114.554 0.091 0.000 3.041 124 T HA 0.502 4.852 4.350 0.001 0.000 0.321 124 T C 0.161 174.896 174.700 0.059 0.000 1.184 124 T CA 0.029 62.182 62.100 0.089 0.000 1.050 124 T CB 1.239 70.132 68.868 0.041 0.000 1.159 124 T HN 0.565 nan 8.240 nan 0.000 0.469 125 G N 2.052 110.885 108.800 0.055 0.000 2.535 125 G HA2 0.387 4.348 3.960 0.001 0.000 0.210 125 G HA3 0.387 4.348 3.960 0.001 0.000 0.210 125 G C 1.651 176.569 174.900 0.030 0.000 1.593 125 G CA 0.540 45.661 45.100 0.035 0.000 0.948 125 G HN 1.013 nan 8.290 nan 0.000 0.476 126 A N -0.967 121.871 122.820 0.029 0.000 2.178 126 A HA 0.388 4.709 4.320 0.001 0.000 0.218 126 A C 1.920 179.519 177.584 0.024 0.000 1.157 126 A CA 1.885 53.937 52.037 0.025 0.000 0.689 126 A CB -0.566 18.449 19.000 0.025 0.000 0.787 126 A HN 2.051 nan 8.150 nan 0.000 0.465 127 G N -2.316 106.503 108.800 0.032 0.000 2.205 127 G HA2 -0.228 3.732 3.960 0.001 0.000 0.180 127 G HA3 -0.228 3.732 3.960 0.001 0.000 0.180 127 G C 0.773 175.688 174.900 0.024 0.000 1.004 127 G CA 0.552 45.664 45.100 0.021 0.000 0.670 127 G HN 0.414 nan 8.290 nan 0.000 0.496 128 Q N -0.638 119.190 119.800 0.047 0.000 1.990 128 Q HA -0.003 4.337 4.340 0.001 0.000 0.200 128 Q C 2.039 178.086 176.000 0.078 0.000 0.980 128 Q CA 1.958 57.794 55.803 0.055 0.000 0.832 128 Q CB -0.261 28.516 28.738 0.065 0.000 0.897 128 Q HN 0.713 nan 8.270 nan 0.000 0.427 129 H N -0.536 118.532 119.070 -0.003 0.000 2.457 129 H HA -0.058 4.498 4.556 0.001 0.000 0.297 129 H C 1.717 177.022 175.328 -0.038 0.000 1.092 129 H CA 1.682 57.718 56.048 -0.018 0.000 1.309 129 H CB -0.339 29.413 29.762 -0.016 0.000 1.382 129 H HN 0.317 nan 8.280 nan 0.000 0.535 130 G N -0.485 108.261 108.800 -0.090 0.000 2.421 130 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 130 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 130 G C 1.763 176.577 174.900 -0.143 0.000 1.143 130 G CA 0.835 45.832 45.100 -0.172 0.000 0.784 130 G HN 0.383 nan 8.290 nan 0.000 0.541 131 V N 1.372 121.241 119.914 -0.076 0.000 2.427 131 V HA -0.066 4.055 4.120 0.001 0.000 0.248 131 V C 3.247 179.309 176.094 -0.054 0.000 1.051 131 V CA 1.814 64.083 62.300 -0.051 0.000 1.048 131 V CB -0.622 31.190 31.823 -0.018 0.000 0.666 131 V HN 0.460 nan 8.190 nan 0.000 0.456 132 A N 0.266 123.053 122.820 -0.056 0.000 1.845 132 A HA -0.219 4.102 4.320 0.001 0.000 0.215 132 A C 2.431 179.955 177.584 -0.101 0.000 1.195 132 A CA 2.577 54.589 52.037 -0.043 0.000 0.616 132 A CB -1.169 17.842 19.000 0.018 0.000 0.832 132 A HN 0.482 nan 8.150 nan 0.000 0.443 133 T N 0.665 115.089 114.554 -0.217 0.000 2.684 133 T HA -0.106 4.244 4.350 0.001 0.000 0.267 133 T C 2.209 176.810 174.700 -0.163 0.000 1.036 133 T CA 1.922 63.877 62.100 -0.242 0.000 1.148 133 T CB -0.642 67.986 68.868 -0.401 0.000 0.863 133 T HN 0.627 nan 8.240 nan 0.000 0.436 134 A N 1.623 124.355 122.820 -0.146 0.000 1.883 134 A HA -0.181 4.140 4.320 0.001 0.000 0.217 134 A C 2.574 180.115 177.584 -0.072 0.000 1.186 134 A CA 2.341 54.316 52.037 -0.103 0.000 0.624 134 A CB -1.500 17.448 19.000 -0.086 0.000 0.822 134 A HN 0.516 nan 8.150 nan 0.000 0.444 135 T N 0.630 115.154 114.554 -0.049 0.000 2.597 135 T HA -0.182 4.168 4.350 0.001 0.000 0.267 135 T C 2.221 176.899 174.700 -0.036 0.000 1.053 135 T CA 2.279 64.376 62.100 -0.005 0.000 1.165 135 T CB -0.750 68.147 68.868 0.047 0.000 0.863 135 T HN 0.676 nan 8.240 nan 0.000 0.427 136 A N 0.680 123.456 122.820 -0.072 0.000 1.883 136 A HA -0.160 4.160 4.320 0.001 0.000 0.217 136 A C 2.776 180.283 177.584 -0.128 0.000 1.186 136 A CA 1.760 53.720 52.037 -0.128 0.000 0.624 136 A CB -1.508 17.407 19.000 -0.142 0.000 0.822 136 A HN 0.652 nan 8.150 nan 0.000 0.444 137 C N -1.245 117.988 119.300 -0.112 0.000 2.385 137 C HA -0.130 4.331 4.460 0.001 0.000 0.275 137 C C 3.276 178.216 174.990 -0.084 0.000 1.199 137 C CA 1.316 60.276 59.018 -0.098 0.000 1.782 137 C CB -1.332 26.353 27.740 -0.092 0.000 2.068 137 C HN 0.704 nan 8.230 nan 0.000 0.471 138 A N -0.851 121.926 122.820 -0.072 0.000 1.943 138 A HA 0.065 4.386 4.320 0.001 0.000 0.213 138 A C 1.926 179.470 177.584 -0.066 0.000 1.181 138 A CA 0.952 52.955 52.037 -0.057 0.000 0.653 138 A CB -0.580 18.400 19.000 -0.034 0.000 0.833 138 A HN 0.477 nan 8.150 nan 0.000 0.451 139 L N -0.245 120.923 121.223 -0.091 0.000 2.089 139 L HA -0.115 4.226 4.340 0.001 0.000 0.213 139 L C 1.572 178.357 176.870 -0.143 0.000 1.079 139 L CA 1.908 56.659 54.840 -0.149 0.000 0.758 139 L CB -0.255 41.609 42.059 -0.325 0.000 0.891 139 L HN 0.380 nan 8.230 nan 0.000 0.433 140 L N -0.783 120.361 121.223 -0.132 0.000 2.700 140 L HA 0.323 4.664 4.340 0.001 0.000 0.234 140 L C 1.249 178.069 176.870 -0.084 0.000 1.156 140 L CA 0.337 55.106 54.840 -0.119 0.000 0.946 140 L CB -0.531 41.447 42.059 -0.134 0.000 1.216 140 L HN 0.504 nan 8.230 nan 0.000 0.493 141 G N 1.468 110.225 108.800 -0.070 0.000 2.273 141 G HA2 -0.288 3.672 3.960 0.001 0.000 0.280 141 G HA3 -0.288 3.672 3.960 0.001 0.000 0.280 141 G C -0.086 174.786 174.900 -0.047 0.000 1.047 141 G CA 0.114 45.183 45.100 -0.052 0.000 0.869 141 G HN 0.272 nan 8.290 nan 0.000 0.502 142 L N 0.480 121.670 121.223 -0.055 0.000 2.309 142 L HA 0.423 4.763 4.340 0.001 0.000 0.282 142 L C 0.234 177.083 176.870 -0.036 0.000 1.036 142 L CA -1.263 53.552 54.840 -0.042 0.000 0.806 142 L CB 0.944 42.971 42.059 -0.052 0.000 1.220 142 L HN 0.025 nan 8.230 nan 0.000 0.429 143 D N 0.867 121.255 120.400 -0.021 0.000 2.390 143 D HA 0.066 4.706 4.640 0.001 0.000 0.236 143 D C -0.358 175.923 176.300 -0.031 0.000 1.189 143 D CA 0.061 54.047 54.000 -0.023 0.000 0.887 143 D CB 0.868 41.663 40.800 -0.010 0.000 1.198 143 D HN 0.408 nan 8.370 nan 0.000 0.444 144 C N 1.481 120.754 119.300 -0.045 0.000 2.607 144 C HA 0.496 4.956 4.460 0.001 0.000 0.350 144 C C -1.330 173.608 174.990 -0.088 0.000 1.101 144 C CA -0.418 58.560 59.018 -0.066 0.000 1.282 144 C CB 0.145 27.836 27.740 -0.082 0.000 1.825 144 C HN 0.325 nan 8.230 nan 0.000 0.460 145 V N 7.652 127.505 119.914 -0.102 0.000 2.409 145 V HA 0.574 4.694 4.120 0.001 0.000 0.291 145 V C -0.349 175.597 176.094 -0.246 0.000 1.020 145 V CA -0.469 61.718 62.300 -0.189 0.000 0.848 145 V CB 1.367 33.067 31.823 -0.205 0.000 0.990 145 V HN 0.718 nan 8.190 nan 0.000 0.430 146 I N 4.531 124.937 120.570 -0.275 0.000 2.404 146 I HA 0.452 4.622 4.170 0.001 0.000 0.293 146 I C -0.636 175.311 176.117 -0.283 0.000 0.992 146 I CA -0.697 60.482 61.300 -0.202 0.000 1.149 146 I CB 1.778 39.692 38.000 -0.144 0.000 1.315 146 I HN 0.543 nan 8.210 nan 0.000 0.446 147 Y N 6.360 126.648 120.300 -0.019 0.000 2.313 147 Y HA 0.583 5.133 4.550 0.000 0.000 0.332 147 Y C 0.475 176.368 175.900 -0.012 0.000 1.071 147 Y CA -0.302 57.794 58.100 -0.008 0.000 1.169 147 Y CB 1.511 39.973 38.460 0.003 0.000 1.192 147 Y HN 0.475 nan 8.280 nan 0.000 0.487 148 M N 1.882 121.558 119.600 0.127 0.000 2.414 148 M HA 0.545 5.026 4.480 0.001 0.000 0.287 148 M C -0.722 175.613 176.300 0.058 0.000 1.181 148 M CA -0.556 54.784 55.300 0.067 0.000 0.933 148 M CB 1.746 34.363 32.600 0.028 0.000 1.732 148 M HN 0.790 nan 8.290 nan 0.000 0.486 149 G N 1.239 110.065 108.800 0.043 0.000 2.432 149 G HA2 0.408 4.369 3.960 0.001 0.000 0.257 149 G HA3 0.408 4.369 3.960 0.001 0.000 0.257 149 G C 0.807 175.723 174.900 0.027 0.000 1.238 149 G CA 0.042 45.162 45.100 0.035 0.000 0.838 149 G HN 1.080 nan 8.290 nan 0.000 0.547 150 G N 1.501 110.317 108.800 0.026 0.000 2.507 150 G HA2 -0.257 3.703 3.960 0.001 0.000 0.221 150 G HA3 -0.257 3.703 3.960 0.001 0.000 0.221 150 G C 1.512 176.420 174.900 0.015 0.000 1.119 150 G CA 0.959 46.070 45.100 0.019 0.000 0.751 150 G HN 0.494 nan 8.290 nan 0.000 0.574 151 I N 1.518 122.097 120.570 0.015 0.000 2.315 151 I HA -0.052 4.118 4.170 0.001 0.000 0.248 151 I C 2.064 178.188 176.117 0.012 0.000 1.117 151 I CA 0.816 62.124 61.300 0.012 0.000 1.404 151 I CB -0.869 37.138 38.000 0.012 0.000 1.071 151 I HN 0.104 nan 8.210 nan 0.000 0.419 152 D N 0.343 120.752 120.400 0.014 0.000 2.123 152 D HA -0.099 4.542 4.640 0.001 0.000 0.200 152 D C 2.170 178.476 176.300 0.010 0.000 0.976 152 D CA 1.293 55.301 54.000 0.013 0.000 0.831 152 D CB -0.238 40.572 40.800 0.017 0.000 0.974 152 D HN 0.219 nan 8.370 nan 0.000 0.469 153 T N 1.227 115.787 114.554 0.009 0.000 2.607 153 T HA -0.183 4.167 4.350 0.001 0.000 0.267 153 T C 2.046 176.749 174.700 0.004 0.000 1.049 153 T CA 1.975 64.077 62.100 0.004 0.000 1.162 153 T CB -0.449 68.422 68.868 0.004 0.000 0.863 153 T HN 0.201 nan 8.240 nan 0.000 0.424 154 A N 1.835 124.658 122.820 0.005 0.000 2.042 154 A HA -0.194 4.126 4.320 0.001 0.000 0.222 154 A C 2.055 179.642 177.584 0.004 0.000 1.167 154 A CA 1.929 53.969 52.037 0.004 0.000 0.649 154 A CB -0.491 18.513 19.000 0.005 0.000 0.809 154 A HN 0.745 nan 8.150 nan 0.000 0.457 155 R N -2.517 117.986 120.500 0.005 0.000 2.509 155 R HA 0.309 4.649 4.340 0.001 0.000 0.300 155 R C 0.267 176.569 176.300 0.005 0.000 0.985 155 R CA -0.081 56.022 56.100 0.005 0.000 1.092 155 R CB 0.323 30.627 30.300 0.007 0.000 1.237 155 R HN 0.164 nan 8.270 nan 0.000 0.546 156 Q N 0.475 120.277 119.800 0.003 0.000 2.227 156 Q HA 0.370 4.711 4.340 0.001 0.000 0.332 156 Q C 0.436 176.435 176.000 -0.001 0.000 0.878 156 Q CA -0.132 55.673 55.803 0.002 0.000 1.120 156 Q CB 1.421 30.162 28.738 0.004 0.000 1.315 156 Q HN 0.359 nan 8.270 nan 0.000 0.414 157 A N 0.007 122.826 122.820 -0.002 0.000 2.131 157 A HA -0.151 4.169 4.320 0.001 0.000 0.220 157 A C 1.671 179.251 177.584 -0.006 0.000 1.158 157 A CA 1.201 53.236 52.037 -0.004 0.000 0.665 157 A CB 0.009 19.007 19.000 -0.004 0.000 0.795 157 A HN 0.384 nan 8.150 nan 0.000 0.460 158 L N -0.812 120.408 121.223 -0.005 0.000 2.200 158 L HA 0.125 4.465 4.340 0.001 0.000 0.200 158 L C 1.746 178.612 176.870 -0.007 0.000 1.072 158 L CA 1.413 56.249 54.840 -0.005 0.000 0.787 158 L CB -0.445 41.613 42.059 -0.003 0.000 0.957 158 L HN 0.225 nan 8.230 nan 0.000 0.459 159 N N -0.828 117.869 118.700 -0.006 0.000 2.309 159 N HA -0.096 4.644 4.740 0.001 0.000 0.182 159 N C 1.816 177.316 175.510 -0.017 0.000 1.018 159 N CA 1.197 54.241 53.050 -0.009 0.000 0.876 159 N CB -0.142 38.343 38.487 -0.003 0.000 0.972 159 N HN 0.167 nan 8.380 nan 0.000 0.434 160 V N 0.912 120.816 119.914 -0.016 0.000 2.515 160 V HA -0.106 4.014 4.120 0.001 0.000 0.250 160 V C 2.139 178.218 176.094 -0.025 0.000 1.058 160 V CA 1.680 63.967 62.300 -0.022 0.000 1.064 160 V CB -0.580 31.233 31.823 -0.018 0.000 0.675 160 V HN 0.285 nan 8.190 nan 0.000 0.461 161 A N -0.706 122.103 122.820 -0.019 0.000 1.975 161 A HA -0.064 4.256 4.320 0.001 0.000 0.215 161 A C 2.328 179.900 177.584 -0.020 0.000 1.170 161 A CA 0.823 52.849 52.037 -0.019 0.000 0.656 161 A CB -0.318 18.674 19.000 -0.014 0.000 0.821 161 A HN 0.442 nan 8.150 nan 0.000 0.449 162 R N -0.782 119.706 120.500 -0.019 0.000 2.088 162 R HA -0.129 4.212 4.340 0.001 0.000 0.232 162 R C 2.276 178.560 176.300 -0.027 0.000 1.136 162 R CA 1.998 58.086 56.100 -0.020 0.000 0.926 162 R CB -0.474 29.816 30.300 -0.017 0.000 0.837 162 R HN 0.514 nan 8.270 nan 0.000 0.429 163 M N -0.011 119.569 119.600 -0.033 0.000 2.113 163 M HA -0.293 4.188 4.480 0.001 0.000 0.255 163 M C 2.362 178.636 176.300 -0.043 0.000 1.073 163 M CA 1.853 57.125 55.300 -0.045 0.000 1.091 163 M CB -0.378 32.189 32.600 -0.055 0.000 1.309 163 M HN 0.147 nan 8.290 nan 0.000 0.407 164 R N 0.102 120.580 120.500 -0.037 0.000 2.073 164 R HA -0.032 4.308 4.340 0.001 0.000 0.229 164 R C 2.170 178.453 176.300 -0.029 0.000 1.120 164 R CA 1.152 57.230 56.100 -0.035 0.000 0.967 164 R CB -0.581 29.701 30.300 -0.030 0.000 0.862 164 R HN 0.420 nan 8.270 nan 0.000 0.436 165 L N 0.825 122.033 121.223 -0.024 0.000 2.013 165 L HA -0.214 4.126 4.340 0.001 0.000 0.212 165 L C 2.323 179.180 176.870 -0.021 0.000 1.073 165 L CA 1.351 56.179 54.840 -0.020 0.000 0.753 165 L CB -0.490 41.559 42.059 -0.017 0.000 0.890 165 L HN 0.165 nan 8.230 nan 0.000 0.432 166 L N -0.600 120.608 121.223 -0.024 0.000 2.450 166 L HA -0.077 4.263 4.340 0.001 0.000 0.224 166 L C 1.612 178.464 176.870 -0.031 0.000 1.149 166 L CA 0.886 55.711 54.840 -0.025 0.000 0.816 166 L CB -0.537 41.505 42.059 -0.028 0.000 0.932 166 L HN 0.581 nan 8.230 nan 0.000 0.449 167 G N -1.315 107.464 108.800 -0.034 0.000 2.201 167 G HA2 -0.200 3.761 3.960 0.001 0.000 0.212 167 G HA3 -0.200 3.761 3.960 0.001 0.000 0.212 167 G C 0.342 175.214 174.900 -0.048 0.000 0.994 167 G CA -0.103 44.974 45.100 -0.037 0.000 0.644 167 G HN 0.503 nan 8.290 nan 0.000 0.508 168 A N -0.224 122.562 122.820 -0.058 0.000 2.240 168 A HA 0.793 5.114 4.320 0.001 0.000 0.292 168 A C 0.228 177.765 177.584 -0.078 0.000 1.121 168 A CA 0.544 52.537 52.037 -0.073 0.000 0.851 168 A CB 0.761 19.706 19.000 -0.092 0.000 1.167 168 A HN 0.821 nan 8.150 nan 0.000 0.503 169 E N -0.390 119.751 120.200 -0.099 0.000 2.156 169 E HA 0.504 4.855 4.350 0.001 0.000 0.279 169 E C -1.469 175.043 176.600 -0.148 0.000 0.965 169 E CA -0.287 56.049 56.400 -0.106 0.000 0.789 169 E CB 1.282 30.921 29.700 -0.102 0.000 1.098 169 E HN 0.296 nan 8.360 nan 0.000 0.397 170 V N 5.384 125.224 119.914 -0.123 0.000 2.370 170 V HA 0.339 4.459 4.120 0.001 0.000 0.283 170 V C -0.545 175.473 176.094 -0.126 0.000 1.023 170 V CA -0.873 61.349 62.300 -0.129 0.000 0.857 170 V CB 1.563 33.337 31.823 -0.082 0.000 0.985 170 V HN 0.574 nan 8.190 nan 0.000 0.443 171 V N 4.998 124.805 119.914 -0.178 0.000 2.313 171 V HA 0.578 4.699 4.120 0.001 0.000 0.278 171 V C 0.616 176.694 176.094 -0.027 0.000 1.017 171 V CA -0.537 61.682 62.300 -0.136 0.000 0.823 171 V CB 1.483 33.130 31.823 -0.293 0.000 1.010 171 V HN 0.963 nan 8.190 nan 0.000 0.443 172 A N 5.453 128.272 122.820 -0.002 0.000 2.409 172 A HA 0.608 4.928 4.320 0.001 0.000 0.267 172 A C -0.225 177.390 177.584 0.052 0.000 1.127 172 A CA -0.170 51.880 52.037 0.021 0.000 0.795 172 A CB 0.580 19.585 19.000 0.009 0.000 1.061 172 A HN 0.612 nan 8.150 nan 0.000 0.502 173 V N 4.195 124.149 119.914 0.067 0.000 2.370 173 V HA 0.172 4.293 4.120 0.001 0.000 0.279 173 V C 0.544 176.667 176.094 0.049 0.000 1.029 173 V CA -0.238 62.110 62.300 0.080 0.000 0.870 173 V CB 1.329 33.211 31.823 0.098 0.000 0.984 173 V HN 1.047 nan 8.190 nan 0.000 0.451 174 Q N 1.701 121.528 119.800 0.045 0.000 2.378 174 Q HA 0.108 4.449 4.340 0.001 0.000 0.216 174 Q C 0.998 177.014 176.000 0.026 0.000 0.892 174 Q CA 0.143 55.965 55.803 0.031 0.000 0.931 174 Q CB 0.194 28.949 28.738 0.029 0.000 1.086 174 Q HN 0.832 nan 8.270 nan 0.000 0.528 175 T N 0.140 114.711 114.554 0.027 0.000 2.616 175 T HA 0.258 4.609 4.350 0.001 0.000 0.327 175 T C 1.283 175.992 174.700 0.015 0.000 1.049 175 T CA 0.200 62.312 62.100 0.020 0.000 1.022 175 T CB -0.044 68.834 68.868 0.017 0.000 1.009 175 T HN 0.432 nan 8.240 nan 0.000 0.535 176 G N 1.307 110.114 108.800 0.012 0.000 2.667 176 G HA2 -0.376 3.585 3.960 0.001 0.000 0.379 176 G HA3 -0.376 3.585 3.960 0.001 0.000 0.379 176 G C 1.132 176.038 174.900 0.011 0.000 1.236 176 G CA 1.610 46.717 45.100 0.011 0.000 0.946 176 G HN 1.578 nan 8.290 nan 0.000 0.573 177 S N -0.215 115.490 115.700 0.010 0.000 2.572 177 S HA 0.398 4.868 4.470 0.001 0.000 0.228 177 S C 0.827 175.434 174.600 0.011 0.000 0.963 177 S CA 1.014 59.220 58.200 0.010 0.000 0.939 177 S CB 0.165 63.370 63.200 0.009 0.000 0.804 177 S HN 0.908 nan 8.310 nan 0.000 0.480 178 K N 0.401 120.808 120.400 0.013 0.000 3.129 178 K HA -0.140 4.180 4.320 0.001 0.000 0.273 178 K C -0.162 176.447 176.600 0.014 0.000 1.123 178 K CA 0.999 57.296 56.287 0.016 0.000 0.800 178 K CB -2.389 30.121 32.500 0.016 0.000 1.238 178 K HN 0.551 nan 8.250 nan 0.000 0.492 179 T N -0.070 114.490 114.554 0.010 0.000 2.797 179 T HA 0.274 4.625 4.350 0.001 0.000 0.267 179 T C 1.274 175.975 174.700 0.002 0.000 0.986 179 T CA -0.757 61.347 62.100 0.007 0.000 0.999 179 T CB 0.900 69.771 68.868 0.004 0.000 1.508 179 T HN 0.105 nan 8.240 nan 0.000 0.595 180 L N 0.744 121.964 121.223 -0.004 0.000 2.027 180 L HA -0.030 4.310 4.340 0.001 0.000 0.206 180 L C 2.343 179.191 176.870 -0.038 0.000 1.074 180 L CA 1.848 56.680 54.840 -0.013 0.000 0.745 180 L CB -0.557 41.494 42.059 -0.014 0.000 0.898 180 L HN 0.485 nan 8.230 nan 0.000 0.433 181 K N 0.210 120.586 120.400 -0.041 0.000 2.009 181 K HA -0.209 4.112 4.320 0.001 0.000 0.210 181 K C 1.668 178.227 176.600 -0.069 0.000 1.049 181 K CA 1.597 57.848 56.287 -0.061 0.000 0.929 181 K CB -0.575 31.905 32.500 -0.034 0.000 0.714 181 K HN 0.400 nan 8.250 nan 0.000 0.440 182 D N 0.500 120.877 120.400 -0.038 0.000 2.370 182 D HA -0.273 4.368 4.640 0.001 0.000 0.190 182 D C 1.733 178.005 176.300 -0.046 0.000 1.019 182 D CA 2.168 56.150 54.000 -0.030 0.000 0.869 182 D CB -0.301 40.496 40.800 -0.005 0.000 0.944 182 D HN 0.293 nan 8.370 nan 0.000 0.456 183 A N 0.382 123.185 122.820 -0.028 0.000 1.908 183 A HA -0.185 4.135 4.320 0.001 0.000 0.218 183 A C 2.492 179.995 177.584 -0.134 0.000 1.181 183 A CA 1.420 53.448 52.037 -0.016 0.000 0.627 183 A CB -0.788 18.237 19.000 0.041 0.000 0.818 183 A HN 0.252 nan 8.150 nan 0.000 0.445 184 I N 0.827 121.284 120.570 -0.189 0.000 2.163 184 I HA -0.331 3.839 4.170 0.001 0.000 0.243 184 I C 2.226 178.022 176.117 -0.534 0.000 1.085 184 I CA 1.750 62.806 61.300 -0.407 0.000 1.347 184 I CB -0.455 37.288 38.000 -0.427 0.000 1.044 184 I HN 0.445 nan 8.210 nan 0.000 0.408 185 N N 0.149 118.684 118.700 -0.275 0.000 2.188 185 N HA -0.170 4.570 4.740 0.001 0.000 0.184 185 N C 1.672 177.103 175.510 -0.132 0.000 1.018 185 N CA 0.978 53.958 53.050 -0.117 0.000 0.858 185 N CB -0.305 38.178 38.487 -0.005 0.000 0.989 185 N HN 0.465 nan 8.380 nan 0.000 0.426 186 E N 1.342 121.404 120.200 -0.229 0.000 2.110 186 E HA -0.105 4.245 4.350 0.001 0.000 0.193 186 E C 1.980 178.227 176.600 -0.587 0.000 0.988 186 E CA 0.770 56.969 56.400 -0.334 0.000 0.804 186 E CB -0.057 29.466 29.700 -0.295 0.000 0.745 186 E HN 0.363 nan 8.360 nan 0.000 0.458 187 A N 0.556 122.983 122.820 -0.654 0.000 1.969 187 A HA -0.142 4.178 4.320 0.001 0.000 0.218 187 A C 1.845 179.423 177.584 -0.011 0.000 1.169 187 A CA 0.924 52.685 52.037 -0.460 0.000 0.635 187 A CB -0.499 18.405 19.000 -0.160 0.000 0.810 187 A HN 0.121 nan 8.150 nan 0.000 0.445 188 F N 0.082 119.977 119.950 -0.091 0.000 2.163 188 F HA -0.012 4.515 4.527 0.001 0.000 0.297 188 F C 2.453 178.246 175.800 -0.011 0.000 1.094 188 F CA 0.968 58.963 58.000 -0.008 0.000 1.290 188 F CB -0.795 38.172 39.000 -0.055 0.000 1.017 188 F HN 0.155 nan 8.300 nan 0.000 0.483 189 R N -0.033 120.542 120.500 0.125 0.000 2.096 189 R HA -0.185 4.156 4.340 0.001 0.000 0.235 189 R C 1.980 178.325 176.300 0.075 0.000 1.127 189 R CA 1.548 57.683 56.100 0.058 0.000 0.968 189 R CB -0.593 29.713 30.300 0.010 0.000 0.861 189 R HN 0.185 nan 8.270 nan 0.000 0.440 190 D N -0.110 120.326 120.400 0.061 0.000 2.144 190 D HA -0.192 4.449 4.640 0.001 0.000 0.200 190 D C 1.553 178.013 176.300 0.267 0.000 0.978 190 D CA 0.851 54.937 54.000 0.143 0.000 0.833 190 D CB -0.046 40.852 40.800 0.163 0.000 0.961 190 D HN 0.248 nan 8.370 nan 0.000 0.470 191 W N 0.858 122.206 121.300 0.079 0.000 2.523 191 W HA 0.037 4.697 4.660 0.001 0.000 0.278 191 W C 1.943 178.494 176.519 0.052 0.000 1.236 191 W CA 0.410 57.815 57.345 0.100 0.000 1.306 191 W CB -0.617 28.917 29.460 0.124 0.000 1.101 191 W HN -0.198 nan 8.180 nan 0.000 0.577 192 V N 1.697 121.635 119.914 0.039 0.000 2.332 192 V HA -0.260 3.861 4.120 0.001 0.000 0.248 192 V C 2.402 178.476 176.094 -0.033 0.000 1.055 192 V CA 2.392 64.621 62.300 -0.117 0.000 1.038 192 V CB -1.456 30.305 31.823 -0.104 0.000 0.651 192 V HN 0.248 nan 8.190 nan 0.000 0.450 193 A N -0.933 121.912 122.820 0.042 0.000 2.178 193 A HA 0.039 4.360 4.320 0.001 0.000 0.211 193 A C 1.434 179.061 177.584 0.073 0.000 1.157 193 A CA 0.652 52.715 52.037 0.043 0.000 0.780 193 A CB -0.183 18.851 19.000 0.056 0.000 0.828 193 A HN 0.587 nan 8.150 nan 0.000 0.476 194 N N -0.502 118.271 118.700 0.123 0.000 2.433 194 N HA 0.266 5.006 4.740 0.001 0.000 0.270 194 N C 1.016 176.634 175.510 0.180 0.000 1.354 194 N CA 0.680 53.819 53.050 0.148 0.000 0.889 194 N CB 0.952 39.547 38.487 0.180 0.000 1.285 194 N HN 0.359 nan 8.380 nan 0.000 0.503 195 A N 0.430 123.332 122.820 0.137 0.000 2.015 195 A HA -0.127 4.194 4.320 0.001 0.000 0.219 195 A C 1.703 179.379 177.584 0.154 0.000 1.163 195 A CA 1.197 53.329 52.037 0.159 0.000 0.646 195 A CB -0.092 18.912 19.000 0.006 0.000 0.806 195 A HN 0.039 nan 8.150 nan 0.000 0.448 196 D N 0.470 120.935 120.400 0.108 0.000 2.203 196 D HA -0.171 4.470 4.640 0.001 0.000 0.199 196 D C 1.533 177.901 176.300 0.113 0.000 0.997 196 D CA 1.748 55.804 54.000 0.095 0.000 0.863 196 D CB -0.063 40.779 40.800 0.071 0.000 0.928 196 D HN 0.847 nan 8.370 nan 0.000 0.458 197 N N -2.267 116.514 118.700 0.135 0.000 2.118 197 N HA -0.008 4.732 4.740 0.001 0.000 0.226 197 N C -0.476 175.132 175.510 0.164 0.000 1.305 197 N CA -0.023 53.103 53.050 0.127 0.000 0.890 197 N CB 1.040 39.586 38.487 0.097 0.000 1.118 197 N HN -0.149 nan 8.380 nan 0.000 0.511 198 T N 1.093 115.783 114.554 0.227 0.000 2.812 198 T HA 0.286 4.636 4.350 0.001 0.000 0.282 198 T C -1.833 173.062 174.700 0.326 0.000 0.990 198 T CA -0.383 61.871 62.100 0.256 0.000 0.960 198 T CB 1.640 70.674 68.868 0.275 0.000 0.948 198 T HN 0.174 nan 8.240 nan 0.000 0.438 199 Y N 3.376 123.730 120.300 0.090 0.000 2.377 199 Y HA 0.598 5.148 4.550 0.000 0.000 0.339 199 Y C -1.102 174.683 175.900 -0.191 0.000 1.011 199 Y CA -1.426 56.691 58.100 0.028 0.000 1.093 199 Y CB 0.959 39.419 38.460 0.001 0.000 1.201 199 Y HN 0.697 nan 8.280 nan 0.000 0.455 200 Y N 6.301 125.852 120.300 -1.249 0.000 2.320 200 Y HA 0.455 5.006 4.550 0.000 0.000 0.334 200 Y C -0.884 174.504 175.900 -0.853 0.000 1.055 200 Y CA -1.194 56.206 58.100 -1.167 0.000 1.143 200 Y CB 0.938 38.078 38.460 -2.200 0.000 1.193 200 Y HN 0.854 nan 8.280 nan 0.000 0.477 201 C N 10.174 128.695 119.300 -1.299 0.000 2.258 201 C HA 0.540 5.000 4.460 0.001 0.000 0.321 201 C C -0.620 173.841 174.990 -0.881 0.000 1.168 201 C CA -1.336 57.187 59.018 -0.824 0.000 1.531 201 C CB -2.527 25.008 27.740 -0.343 0.000 2.095 201 C HN 0.723 nan 8.230 nan 0.000 0.449 202 F N 3.905 123.637 119.950 -0.364 0.000 2.410 202 F HA 0.760 5.287 4.527 0.000 0.000 0.334 202 F C 0.743 176.419 175.800 -0.206 0.000 1.134 202 F CA -0.601 57.329 58.000 -0.117 0.000 1.227 202 F CB 0.456 39.550 39.000 0.158 0.000 1.194 202 F HN 0.692 nan 8.300 nan 0.000 0.571 203 G N 0.036 108.668 108.800 -0.280 0.000 4.142 203 G HA2 0.004 3.964 3.960 0.001 0.000 0.200 203 G HA3 0.004 3.964 3.960 0.001 0.000 0.200 203 G C -0.094 174.499 174.900 -0.512 0.000 0.811 203 G CA -0.004 44.746 45.100 -0.583 0.000 0.855 203 G HN 0.968 nan 8.290 nan 0.000 0.455 204 T N 0.504 114.778 114.554 -0.466 0.000 2.902 204 T HA 0.512 4.862 4.350 0.001 0.000 0.301 204 T C 1.679 176.363 174.700 -0.027 0.000 1.012 204 T CA 0.654 62.663 62.100 -0.151 0.000 1.151 204 T CB 1.912 70.749 68.868 -0.052 0.000 0.946 204 T HN 0.932 nan 8.240 nan 0.000 0.542 205 A N 2.840 125.698 122.820 0.063 0.000 2.024 205 A HA 0.153 4.473 4.320 0.001 0.000 0.220 205 A C 2.469 180.155 177.584 0.171 0.000 1.164 205 A CA 1.430 53.566 52.037 0.165 0.000 0.643 205 A CB -1.021 18.032 19.000 0.089 0.000 0.806 205 A HN 1.168 nan 8.150 nan 0.000 0.451 206 A N -0.617 122.234 122.820 0.053 0.000 2.147 206 A HA 0.468 4.788 4.320 0.001 0.000 0.211 206 A C 1.547 179.085 177.584 -0.077 0.000 1.160 206 A CA 0.819 52.855 52.037 -0.001 0.000 0.781 206 A CB -0.796 18.198 19.000 -0.011 0.000 0.842 206 A HN 0.688 nan 8.150 nan 0.000 0.475 207 G N 0.081 108.810 108.800 -0.118 0.000 2.683 207 G HA2 0.424 4.384 3.960 0.001 0.000 0.260 207 G HA3 0.424 4.384 3.960 0.001 0.000 0.260 207 G C -2.677 172.041 174.900 -0.303 0.000 1.238 207 G CA -0.970 44.018 45.100 -0.187 0.000 0.934 207 G HN 0.162 nan 8.290 nan 0.000 0.534 208 P HA 0.165 nan 4.420 nan 0.000 0.269 208 P C -0.485 176.531 177.300 -0.473 0.000 1.215 208 P CA 0.175 63.170 63.100 -0.175 0.000 0.780 208 P CB 0.440 32.209 31.700 0.114 0.000 0.898 209 H N 1.788 120.770 119.070 -0.147 0.000 2.616 209 H HA 0.155 4.712 4.556 0.001 0.000 0.229 209 H C -1.709 173.333 175.328 -0.476 0.000 1.418 209 H CA -1.034 54.792 56.048 -0.370 0.000 1.248 209 H CB 0.314 29.940 29.762 -0.227 0.000 1.822 209 H HN 0.397 nan 8.280 nan 0.000 0.522 210 P HA 0.022 nan 4.420 nan 0.000 0.242 210 P C -0.128 176.624 177.300 -0.913 0.000 1.197 210 P CA 0.455 63.150 63.100 -0.675 0.000 0.765 210 P CB -0.013 31.238 31.700 -0.748 0.000 0.936 211 F N -0.230 119.527 119.950 -0.322 0.000 2.593 211 F HA 0.338 4.865 4.527 0.000 0.000 0.336 211 F C -1.759 173.905 175.800 -0.227 0.000 1.491 211 F CA -2.289 55.585 58.000 -0.210 0.000 1.114 211 F CB 0.989 39.921 39.000 -0.113 0.000 1.468 211 F HN -0.153 nan 8.300 nan 0.000 0.579 212 P HA -0.105 nan 4.420 nan 0.000 0.219 212 P C 1.602 178.871 177.300 -0.051 0.000 1.146 212 P CA 1.458 64.523 63.100 -0.058 0.000 0.808 212 P CB 0.140 31.810 31.700 -0.051 0.000 0.779 213 T N -1.208 113.338 114.554 -0.013 0.000 2.821 213 T HA -0.080 4.270 4.350 0.001 0.000 0.267 213 T C 1.806 176.416 174.700 -0.149 0.000 1.046 213 T CA 1.060 63.155 62.100 -0.009 0.000 1.139 213 T CB -0.590 68.339 68.868 0.102 0.000 0.871 213 T HN 0.089 nan 8.240 nan 0.000 0.454 214 M N 0.608 119.989 119.600 -0.365 0.000 2.067 214 M HA -0.110 4.371 4.480 0.001 0.000 0.260 214 M C 2.365 178.162 176.300 -0.838 0.000 1.069 214 M CA 1.488 56.270 55.300 -0.863 0.000 1.117 214 M CB -0.358 31.730 32.600 -0.854 0.000 1.334 214 M HN 0.103 nan 8.290 nan 0.000 0.407 215 V N 0.213 119.868 119.914 -0.433 0.000 2.407 215 V HA -0.282 3.838 4.120 0.001 0.000 0.248 215 V C 2.384 178.396 176.094 -0.137 0.000 1.055 215 V CA 2.012 64.151 62.300 -0.269 0.000 1.049 215 V CB -1.010 30.780 31.823 -0.055 0.000 0.662 215 V HN 0.512 nan 8.190 nan 0.000 0.455 216 R N 0.583 121.027 120.500 -0.093 0.000 2.070 216 R HA -0.220 4.121 4.340 0.001 0.000 0.232 216 R C 1.991 178.302 176.300 0.017 0.000 1.138 216 R CA 2.478 58.574 56.100 -0.008 0.000 0.936 216 R CB -0.684 29.620 30.300 0.007 0.000 0.839 216 R HN 0.431 nan 8.270 nan 0.000 0.429 217 D N 0.219 120.610 120.400 -0.015 0.000 2.158 217 D HA -0.183 4.458 4.640 0.001 0.000 0.197 217 D C 1.768 178.248 176.300 0.301 0.000 0.995 217 D CA 1.235 55.302 54.000 0.112 0.000 0.846 217 D CB -0.354 40.580 40.800 0.224 0.000 0.941 217 D HN 0.230 nan 8.370 nan 0.000 0.456 218 F N 0.762 120.783 119.950 0.118 0.000 2.202 218 F HA -0.111 4.416 4.527 0.000 0.000 0.301 218 F C 2.267 178.132 175.800 0.108 0.000 1.082 218 F CA 0.745 58.821 58.000 0.127 0.000 1.313 218 F CB -0.944 38.123 39.000 0.111 0.000 1.024 218 F HN -0.007 nan 8.300 nan 0.000 0.495 219 Q N 0.046 120.022 119.800 0.294 0.000 2.437 219 Q HA -0.070 4.271 4.340 0.001 0.000 0.210 219 Q C 2.103 178.199 176.000 0.160 0.000 0.972 219 Q CA 0.601 56.526 55.803 0.204 0.000 0.903 219 Q CB -0.561 28.273 28.738 0.161 0.000 0.967 219 Q HN 0.409 nan 8.270 nan 0.000 0.486 220 R N -0.342 120.256 120.500 0.164 0.000 2.189 220 R HA 0.049 4.389 4.340 0.001 0.000 0.218 220 R C 2.016 178.389 176.300 0.122 0.000 1.074 220 R CA 0.303 56.486 56.100 0.138 0.000 0.991 220 R CB -0.281 30.088 30.300 0.115 0.000 0.883 220 R HN 0.203 nan 8.270 nan 0.000 0.457 221 I N 1.254 121.902 120.570 0.129 0.000 2.229 221 I HA -0.373 3.797 4.170 0.001 0.000 0.250 221 I C 2.079 178.237 176.117 0.069 0.000 1.096 221 I CA 1.519 62.870 61.300 0.084 0.000 1.358 221 I CB -0.123 37.921 38.000 0.073 0.000 1.047 221 I HN 0.177 nan 8.210 nan 0.000 0.422 222 I N -0.249 120.372 120.570 0.086 0.000 2.226 222 I HA -0.219 3.951 4.170 0.001 0.000 0.245 222 I C 2.647 178.807 176.117 0.072 0.000 1.100 222 I CA 1.588 62.931 61.300 0.072 0.000 1.374 222 I CB -1.572 36.468 38.000 0.067 0.000 1.057 222 I HN 0.331 nan 8.210 nan 0.000 0.413 223 G N 1.200 110.044 108.800 0.074 0.000 2.421 223 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 223 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 223 G C 1.759 176.587 174.900 -0.120 0.000 1.171 223 G CA 0.566 45.688 45.100 0.038 0.000 0.775 223 G HN 0.240 nan 8.290 nan 0.000 0.543 224 M N 0.177 119.735 119.600 -0.069 0.000 2.132 224 M HA 0.009 4.490 4.480 0.001 0.000 0.263 224 M C 2.488 178.748 176.300 -0.066 0.000 1.065 224 M CA 1.372 56.613 55.300 -0.100 0.000 1.122 224 M CB -0.293 32.283 32.600 -0.040 0.000 1.365 224 M HN 0.267 nan 8.290 nan 0.000 0.411 225 E N 0.593 120.784 120.200 -0.014 0.000 2.077 225 E HA -0.151 4.199 4.350 0.001 0.000 0.193 225 E C 2.168 178.788 176.600 0.032 0.000 0.989 225 E CA 1.259 57.663 56.400 0.007 0.000 0.800 225 E CB -0.220 29.494 29.700 0.023 0.000 0.746 225 E HN 0.516 nan 8.360 nan 0.000 0.452 226 A N 1.607 124.474 122.820 0.079 0.000 1.902 226 A HA -0.213 4.108 4.320 0.001 0.000 0.217 226 A C 2.117 179.823 177.584 0.203 0.000 1.181 226 A CA 1.539 53.672 52.037 0.160 0.000 0.623 226 A CB -0.484 18.667 19.000 0.252 0.000 0.818 226 A HN 0.071 nan 8.150 nan 0.000 0.443 227 R N -0.450 120.121 120.500 0.117 0.000 2.103 227 R HA -0.139 4.201 4.340 0.001 0.000 0.242 227 R C 1.919 178.227 176.300 0.014 0.000 1.142 227 R CA 1.892 58.005 56.100 0.022 0.000 0.960 227 R CB -0.435 29.623 30.300 -0.402 0.000 0.858 227 R HN 0.339 nan 8.270 nan 0.000 0.439 228 V N 0.473 120.374 119.914 -0.022 0.000 2.407 228 V HA -0.236 3.885 4.120 0.001 0.000 0.248 228 V C 2.145 178.234 176.094 -0.009 0.000 1.055 228 V CA 1.849 64.139 62.300 -0.017 0.000 1.049 228 V CB -0.392 31.418 31.823 -0.022 0.000 0.662 228 V HN 0.442 nan 8.190 nan 0.000 0.455 229 Q N -1.219 118.579 119.800 -0.002 0.000 2.165 229 Q HA 0.025 4.365 4.340 0.001 0.000 0.197 229 Q C 2.238 178.195 176.000 -0.070 0.000 0.952 229 Q CA 0.855 56.649 55.803 -0.016 0.000 0.848 229 Q CB -0.099 28.644 28.738 0.008 0.000 0.931 229 Q HN 0.509 nan 8.270 nan 0.000 0.470 230 I N 1.621 122.134 120.570 -0.095 0.000 2.194 230 I HA -0.349 3.821 4.170 0.001 0.000 0.246 230 I C 2.028 178.056 176.117 -0.148 0.000 1.093 230 I CA 1.750 62.922 61.300 -0.212 0.000 1.355 230 I CB -0.059 37.840 38.000 -0.170 0.000 1.046 230 I HN 0.208 nan 8.210 nan 0.000 0.413 231 Q N -0.490 119.277 119.800 -0.055 0.000 2.170 231 Q HA -0.130 4.210 4.340 0.001 0.000 0.203 231 Q C 2.189 178.162 176.000 -0.044 0.000 0.976 231 Q CA 1.349 57.130 55.803 -0.037 0.000 0.858 231 Q CB -0.466 28.266 28.738 -0.011 0.000 0.907 231 Q HN 0.695 nan 8.270 nan 0.000 0.433 232 G N 0.269 109.041 108.800 -0.046 0.000 2.396 232 G HA2 -0.213 3.747 3.960 0.001 0.000 0.214 232 G HA3 -0.213 3.747 3.960 0.001 0.000 0.214 232 G C 1.269 176.151 174.900 -0.030 0.000 1.166 232 G CA 0.263 45.346 45.100 -0.029 0.000 0.793 232 G HN 0.221 nan 8.290 nan 0.000 0.533 233 Q N -0.488 119.274 119.800 -0.063 0.000 2.259 233 Q HA 0.268 4.608 4.340 0.001 0.000 0.201 233 Q C 2.687 178.672 176.000 -0.024 0.000 0.938 233 Q CA 0.753 56.540 55.803 -0.026 0.000 0.872 233 Q CB 0.228 28.960 28.738 -0.010 0.000 0.971 233 Q HN 0.445 nan 8.270 nan 0.000 0.494 234 A N -0.308 122.430 122.820 -0.137 0.000 2.169 234 A HA 0.326 4.646 4.320 0.001 0.000 0.210 234 A C 1.561 179.127 177.584 -0.031 0.000 1.168 234 A CA 0.923 52.922 52.037 -0.064 0.000 0.813 234 A CB 0.017 18.923 19.000 -0.156 0.000 0.861 234 A HN 0.436 nan 8.150 nan 0.000 0.481 235 G N -0.436 108.341 108.800 -0.038 0.000 2.184 235 G HA2 -0.317 3.643 3.960 0.001 0.000 0.264 235 G HA3 -0.317 3.643 3.960 0.001 0.000 0.264 235 G C 0.343 175.233 174.900 -0.017 0.000 0.975 235 G CA 0.875 45.964 45.100 -0.018 0.000 0.642 235 G HN 1.046 nan 8.290 nan 0.000 0.536 236 R N -1.806 118.677 120.500 -0.028 0.000 2.906 236 R HA 0.851 5.191 4.340 0.001 0.000 0.258 236 R C -0.503 175.785 176.300 -0.019 0.000 1.156 236 R CA -1.309 54.781 56.100 -0.016 0.000 0.996 236 R CB 0.417 30.714 30.300 -0.006 0.000 1.259 236 R HN 0.041 nan 8.270 nan 0.000 0.462 237 L N 2.275 123.503 121.223 0.009 0.000 2.452 237 L HA 0.397 4.737 4.340 0.001 0.000 0.267 237 L C -1.924 174.938 176.870 -0.013 0.000 1.188 237 L CA -2.074 52.787 54.840 0.035 0.000 0.821 237 L CB -0.286 41.814 42.059 0.070 0.000 1.102 237 L HN 0.647 nan 8.230 nan 0.000 0.470 238 P HA 0.111 nan 4.420 nan 0.000 0.274 238 P C -0.306 176.955 177.300 -0.064 0.000 1.246 238 P CA -0.323 62.720 63.100 -0.094 0.000 0.795 238 P CB 0.830 32.415 31.700 -0.193 0.000 1.006 239 D N -0.591 119.788 120.400 -0.035 0.000 2.347 239 D HA 0.176 4.817 4.640 0.001 0.000 0.215 239 D C 0.531 176.808 176.300 -0.039 0.000 0.976 239 D CA 0.974 54.960 54.000 -0.023 0.000 0.884 239 D CB 0.284 41.086 40.800 0.002 0.000 0.915 239 D HN 0.464 nan 8.370 nan 0.000 0.526 240 A N 0.057 122.840 122.820 -0.063 0.000 2.582 240 A HA 0.470 4.791 4.320 0.001 0.000 0.297 240 A C -1.252 176.263 177.584 -0.115 0.000 1.059 240 A CA -0.624 51.373 52.037 -0.067 0.000 0.705 240 A CB 1.358 20.357 19.000 -0.002 0.000 1.279 240 A HN -0.093 nan 8.150 nan 0.000 0.404 241 V N 1.411 121.238 119.914 -0.145 0.000 2.628 241 V HA 0.796 4.916 4.120 0.001 0.000 0.306 241 V C -0.426 175.744 176.094 0.127 0.000 1.045 241 V CA -0.514 61.703 62.300 -0.137 0.000 0.905 241 V CB 1.698 33.287 31.823 -0.391 0.000 0.997 241 V HN 0.896 nan 8.190 nan 0.000 0.436 242 V N 2.587 122.586 119.914 0.142 0.000 2.932 242 V HA 0.944 5.065 4.120 0.001 0.000 0.307 242 V C -0.338 175.862 176.094 0.176 0.000 1.147 242 V CA -0.226 62.227 62.300 0.254 0.000 0.951 242 V CB 2.081 34.074 31.823 0.283 0.000 1.031 242 V HN 1.149 nan 8.190 nan 0.000 0.426 243 A N 2.070 125.046 122.820 0.259 0.000 2.587 243 A HA 0.701 5.021 4.320 0.001 0.000 0.293 243 A C -0.855 176.897 177.584 0.281 0.000 1.087 243 A CA -0.444 51.689 52.037 0.159 0.000 0.692 243 A CB 1.627 20.582 19.000 -0.075 0.000 1.291 243 A HN 1.068 nan 8.150 nan 0.000 0.407 244 C N 1.956 121.390 119.300 0.224 0.000 2.566 244 C HA 0.484 4.944 4.460 0.001 0.000 0.393 244 C C 1.472 176.574 174.990 0.186 0.000 1.309 244 C CA 0.148 59.301 59.018 0.225 0.000 1.801 244 C CB -1.142 26.708 27.740 0.183 0.000 2.493 244 C HN 0.592 nan 8.230 nan 0.000 0.575 245 V N 5.881 125.917 119.914 0.203 0.000 2.391 245 V HA 0.137 4.257 4.120 0.001 0.000 0.237 245 V C 2.563 178.745 176.094 0.146 0.000 1.046 245 V CA 1.571 64.000 62.300 0.215 0.000 1.053 245 V CB -1.580 30.431 31.823 0.313 0.000 0.704 245 V HN 1.023 nan 8.190 nan 0.000 0.475 246 G N 0.800 109.666 108.800 0.109 0.000 3.088 246 G HA2 -0.125 3.835 3.960 0.001 0.000 0.219 246 G HA3 -0.125 3.835 3.960 0.001 0.000 0.219 246 G C 0.739 175.667 174.900 0.046 0.000 1.098 246 G CA 0.918 46.053 45.100 0.057 0.000 0.694 246 G HN 0.681 nan 8.290 nan 0.000 0.631 247 G N -0.877 107.960 108.800 0.062 0.000 2.428 247 G HA2 0.575 4.535 3.960 0.001 0.000 0.320 247 G HA3 0.575 4.535 3.960 0.001 0.000 0.320 247 G C 0.995 175.930 174.900 0.058 0.000 1.098 247 G CA 0.262 45.395 45.100 0.055 0.000 0.984 247 G HN 0.863 nan 8.290 nan 0.000 0.444 248 G N 2.262 111.090 108.800 0.046 0.000 2.700 248 G HA2 -0.173 3.788 3.960 0.001 0.000 0.350 248 G HA3 -0.173 3.788 3.960 0.001 0.000 0.350 248 G C 0.963 175.895 174.900 0.053 0.000 1.250 248 G CA 1.593 46.718 45.100 0.041 0.000 0.978 248 G HN 2.076 nan 8.290 nan 0.000 0.551 249 S N -1.578 114.155 115.700 0.055 0.000 2.745 249 S HA 0.598 5.068 4.470 0.001 0.000 0.306 249 S C 0.518 175.164 174.600 0.077 0.000 1.137 249 S CA 0.590 58.832 58.200 0.070 0.000 0.900 249 S CB 1.987 65.225 63.200 0.064 0.000 1.176 249 S HN 2.001 nan 8.310 nan 0.000 0.520 250 N N -1.499 117.251 118.700 0.084 0.000 2.997 250 N HA -0.183 4.558 4.740 0.001 0.000 0.214 250 N C 0.819 176.363 175.510 0.057 0.000 0.904 250 N CA 0.780 53.881 53.050 0.086 0.000 1.021 250 N CB -1.599 36.952 38.487 0.108 0.000 1.040 250 N HN 0.830 nan 8.380 nan 0.000 0.573 251 A N 0.857 123.705 122.820 0.047 0.000 1.956 251 A HA 0.235 4.555 4.320 0.001 0.000 0.212 251 A C 2.013 179.552 177.584 -0.076 0.000 1.188 251 A CA 0.591 52.630 52.037 0.002 0.000 0.675 251 A CB -0.277 18.743 19.000 0.034 0.000 0.845 251 A HN 0.408 nan 8.150 nan 0.000 0.455 252 I N 0.380 120.960 120.570 0.016 0.000 2.335 252 I HA -0.219 3.951 4.170 0.001 0.000 0.251 252 I C 2.309 178.441 176.117 0.024 0.000 1.129 252 I CA 1.316 62.666 61.300 0.083 0.000 1.402 252 I CB -0.456 37.689 38.000 0.241 0.000 1.069 252 I HN 0.378 nan 8.210 nan 0.000 0.424 253 G N 1.306 110.130 108.800 0.040 0.000 2.596 253 G HA2 -0.359 3.602 3.960 0.001 0.000 0.223 253 G HA3 -0.359 3.602 3.960 0.001 0.000 0.223 253 G C 1.686 176.611 174.900 0.042 0.000 1.120 253 G CA 1.266 46.406 45.100 0.066 0.000 0.752 253 G HN 0.548 nan 8.290 nan 0.000 0.596 254 I N -0.653 119.856 120.570 -0.102 0.000 2.493 254 I HA -0.070 4.101 4.170 0.001 0.000 0.254 254 I C 2.109 178.287 176.117 0.101 0.000 1.160 254 I CA 0.700 61.968 61.300 -0.053 0.000 1.445 254 I CB -0.020 37.893 38.000 -0.144 0.000 1.086 254 I HN 0.132 nan 8.210 nan 0.000 0.433 255 F N -0.393 119.714 119.950 0.261 0.000 2.163 255 F HA -0.186 4.341 4.527 0.000 0.000 0.297 255 F C 2.633 178.610 175.800 0.294 0.000 1.094 255 F CA 1.350 59.519 58.000 0.282 0.000 1.290 255 F CB -1.354 37.748 39.000 0.169 0.000 1.017 255 F HN 0.195 nan 8.300 nan 0.000 0.483 256 H N 0.457 119.716 119.070 0.315 0.000 2.421 256 H HA -0.049 4.507 4.556 0.000 0.000 0.298 256 H C 1.965 177.353 175.328 0.101 0.000 1.087 256 H CA 1.278 57.447 56.048 0.201 0.000 1.330 256 H CB -0.046 29.811 29.762 0.158 0.000 1.388 256 H HN 0.191 nan 8.280 nan 0.000 0.526 257 A N -0.447 122.388 122.820 0.025 0.000 2.259 257 A HA -0.066 4.254 4.320 0.001 0.000 0.212 257 A C 1.222 178.590 177.584 -0.361 0.000 1.178 257 A CA 0.747 52.636 52.037 -0.246 0.000 0.734 257 A CB -0.699 18.027 19.000 -0.456 0.000 0.774 257 A HN 0.372 nan 8.150 nan 0.000 0.481 258 F N -1.951 118.001 119.950 0.003 0.000 2.789 258 F HA 0.271 4.799 4.527 0.001 0.000 0.320 258 F C 1.607 177.395 175.800 -0.020 0.000 1.079 258 F CA -0.509 57.500 58.000 0.015 0.000 1.205 258 F CB -0.120 38.926 39.000 0.078 0.000 1.046 258 F HN 0.034 nan 8.300 nan 0.000 0.586 259 L N 0.187 121.470 121.223 0.099 0.000 2.085 259 L HA -0.323 4.017 4.340 0.001 0.000 0.218 259 L C 1.737 178.600 176.870 -0.012 0.000 1.080 259 L CA 1.820 56.660 54.840 -0.001 0.000 0.776 259 L CB -0.467 41.525 42.059 -0.111 0.000 0.891 259 L HN 0.081 nan 8.230 nan 0.000 0.437 260 D N -0.530 119.852 120.400 -0.030 0.000 2.312 260 D HA -0.072 4.568 4.640 0.001 0.000 0.211 260 D C 0.281 176.589 176.300 0.013 0.000 0.964 260 D CA 0.618 54.607 54.000 -0.018 0.000 0.877 260 D CB -0.015 40.763 40.800 -0.037 0.000 0.924 260 D HN 0.248 nan 8.370 nan 0.000 0.515 261 D N 0.935 121.366 120.400 0.051 0.000 2.374 261 D HA 0.021 4.661 4.640 0.001 0.000 0.240 261 D C -1.248 175.079 176.300 0.044 0.000 1.229 261 D CA -1.201 52.840 54.000 0.067 0.000 0.895 261 D CB 1.458 42.342 40.800 0.139 0.000 1.046 261 D HN 0.203 nan 8.370 nan 0.000 0.498 262 P HA -0.141 nan 4.420 nan 0.000 0.216 262 P C 1.439 178.745 177.300 0.010 0.000 1.150 262 P CA 0.796 63.904 63.100 0.012 0.000 0.837 262 P CB 0.326 32.030 31.700 0.008 0.000 0.786 263 G N 0.149 108.959 108.800 0.016 0.000 2.509 263 G HA2 -0.037 3.924 3.960 0.001 0.000 0.218 263 G HA3 -0.037 3.924 3.960 0.001 0.000 0.218 263 G C 0.612 175.514 174.900 0.002 0.000 1.124 263 G CA 0.108 45.213 45.100 0.009 0.000 0.776 263 G HN 0.231 nan 8.290 nan 0.000 0.547 264 V N 1.639 121.560 119.914 0.011 0.000 2.385 264 V HA 0.295 4.416 4.120 0.001 0.000 0.269 264 V C 0.387 176.458 176.094 -0.038 0.000 1.043 264 V CA -0.792 61.498 62.300 -0.016 0.000 0.906 264 V CB 0.945 32.771 31.823 0.005 0.000 0.995 264 V HN 0.255 nan 8.190 nan 0.000 0.467 265 R N 4.931 125.395 120.500 -0.059 0.000 2.539 265 R HA 0.635 4.975 4.340 0.001 0.000 0.275 265 R C -0.993 175.245 176.300 -0.104 0.000 1.077 265 R CA -0.401 55.651 56.100 -0.079 0.000 1.097 265 R CB 0.648 30.906 30.300 -0.071 0.000 1.018 265 R HN 0.574 nan 8.270 nan 0.000 0.483 266 L N 2.524 123.649 121.223 -0.164 0.000 2.372 266 L HA 0.481 4.821 4.340 0.001 0.000 0.274 266 L C -0.959 175.675 176.870 -0.394 0.000 0.988 266 L CA -0.992 53.708 54.840 -0.232 0.000 0.833 266 L CB 1.889 43.735 42.059 -0.357 0.000 1.236 266 L HN 0.287 nan 8.230 nan 0.000 0.410 267 V N 0.969 120.711 119.914 -0.288 0.000 2.487 267 V HA 0.733 4.853 4.120 0.001 0.000 0.298 267 V C 0.392 176.221 176.094 -0.441 0.000 1.028 267 V CA -0.562 61.451 62.300 -0.478 0.000 0.860 267 V CB 1.734 33.215 31.823 -0.570 0.000 0.991 267 V HN 0.833 nan 8.190 nan 0.000 0.427 268 G N 3.141 111.589 108.800 -0.586 0.000 2.468 268 G HA2 0.639 4.599 3.960 0.001 0.000 0.315 268 G HA3 0.639 4.599 3.960 0.001 0.000 0.315 268 G C -1.103 173.682 174.900 -0.191 0.000 1.203 268 G CA -0.292 44.666 45.100 -0.236 0.000 0.962 268 G HN 0.387 nan 8.290 nan 0.000 0.476 269 F N 1.101 121.118 119.950 0.111 0.000 2.411 269 F HA 0.359 4.887 4.527 0.001 0.000 0.350 269 F C 0.840 176.697 175.800 0.095 0.000 1.114 269 F CA -0.461 57.601 58.000 0.102 0.000 1.135 269 F CB 1.832 40.898 39.000 0.110 0.000 1.120 269 F HN 0.379 nan 8.300 nan 0.000 0.495 270 E N 1.473 121.820 120.200 0.244 0.000 2.191 270 E HA 0.544 4.894 4.350 0.001 0.000 0.278 270 E C -0.572 176.039 176.600 0.019 0.000 0.972 270 E CA -0.792 55.679 56.400 0.119 0.000 0.804 270 E CB 1.348 31.121 29.700 0.121 0.000 1.110 270 E HN 0.658 nan 8.360 nan 0.000 0.394 271 A N 3.579 126.309 122.820 -0.151 0.000 2.993 271 A HA 0.288 4.609 4.320 0.001 0.000 0.281 271 A C 0.809 178.347 177.584 -0.077 0.000 1.847 271 A CA 0.519 52.361 52.037 -0.325 0.000 1.470 271 A CB -0.792 17.953 19.000 -0.425 0.000 1.028 271 A HN 0.736 nan 8.150 nan 0.000 0.604 272 A N 1.810 124.641 122.820 0.018 0.000 2.582 272 A HA 0.552 4.872 4.320 0.001 0.000 0.183 272 A C 1.352 178.968 177.584 0.052 0.000 1.414 272 A CA 0.728 52.794 52.037 0.047 0.000 0.708 272 A CB -0.769 18.275 19.000 0.073 0.000 1.020 272 A HN 2.432 nan 8.150 nan 0.000 0.517 273 G N -0.652 108.190 108.800 0.070 0.000 2.730 273 G HA2 0.482 4.442 3.960 0.001 0.000 0.644 273 G HA3 0.482 4.442 3.960 0.001 0.000 0.644 273 G C -0.747 174.193 174.900 0.067 0.000 1.168 273 G CA -0.015 45.131 45.100 0.077 0.000 1.240 273 G HN 1.349 nan 8.290 nan 0.000 0.551 336 V N 3.936 123.681 119.914 -0.281 0.000 2.417 336 V HA 0.494 4.615 4.120 0.001 0.000 0.291 336 V C -1.243 174.498 176.094 -0.588 0.000 1.024 336 V CA -0.761 61.209 62.300 -0.549 0.000 0.861 336 V CB 1.576 32.879 31.823 -0.866 0.000 0.985 336 V HN 0.282 nan 8.190 nan 0.000 0.436 337 D N 5.864 125.983 120.400 -0.467 0.000 2.417 337 D HA 0.114 4.754 4.640 0.001 0.000 0.250 337 D C -0.630 175.295 176.300 -0.624 0.000 1.166 337 D CA 0.254 54.023 54.000 -0.385 0.000 0.881 337 D CB 0.283 40.956 40.800 -0.213 0.000 1.164 337 D HN 0.537 nan 8.370 nan 0.000 0.467 338 Y N 1.348 121.555 120.300 -0.156 0.000 2.319 338 Y HA 0.368 4.919 4.550 0.000 0.000 0.328 338 Y C 1.198 177.028 175.900 -0.117 0.000 1.133 338 Y CA -0.228 57.791 58.100 -0.135 0.000 1.265 338 Y CB 1.031 39.447 38.460 -0.073 0.000 1.218 338 Y HN 0.061 nan 8.280 nan 0.000 0.508 339 R N 3.165 123.657 120.500 -0.012 0.000 2.774 339 R HA 0.527 4.868 4.340 0.001 0.000 0.272 339 R C -3.077 173.334 176.300 0.185 0.000 1.000 339 R CA -2.074 54.058 56.100 0.054 0.000 0.906 339 R CB 2.348 32.641 30.300 -0.012 0.000 1.227 339 R HN 0.349 nan 8.270 nan 0.000 0.468 340 P HA 0.530 nan 4.420 nan 0.000 0.292 340 P C -1.022 176.410 177.300 0.219 0.000 1.308 340 P CA -0.642 62.570 63.100 0.187 0.000 0.933 340 P CB 1.536 33.309 31.700 0.122 0.000 1.217 341 I N 0.673 121.359 120.570 0.194 0.000 2.607 341 I HA 0.250 4.421 4.170 0.001 0.000 0.290 341 I C 0.431 176.650 176.117 0.171 0.000 1.129 341 I CA -0.439 60.968 61.300 0.179 0.000 1.042 341 I CB 2.020 40.153 38.000 0.221 0.000 1.242 341 I HN 0.382 nan 8.210 nan 0.000 0.421 342 T N 0.270 114.888 114.554 0.107 0.000 2.909 342 T HA 0.210 4.561 4.350 0.001 0.000 0.289 342 T C 0.942 175.670 174.700 0.046 0.000 1.005 342 T CA -0.499 61.654 62.100 0.088 0.000 1.084 342 T CB 1.356 70.264 68.868 0.067 0.000 0.975 342 T HN 0.501 nan 8.240 nan 0.000 0.509 343 D N 2.045 122.476 120.400 0.053 0.000 2.345 343 D HA -0.186 4.454 4.640 0.001 0.000 0.190 343 D C 2.053 178.161 176.300 -0.320 0.000 1.024 343 D CA 1.864 55.815 54.000 -0.082 0.000 0.893 343 D CB -0.385 40.464 40.800 0.082 0.000 0.907 343 D HN 0.612 nan 8.370 nan 0.000 0.452 344 S N 0.043 115.698 115.700 -0.075 0.000 2.345 344 S HA -0.106 4.365 4.470 0.001 0.000 0.219 344 S C 1.861 176.383 174.600 -0.130 0.000 1.031 344 S CA 0.692 58.863 58.200 -0.049 0.000 0.984 344 S CB -0.046 63.237 63.200 0.138 0.000 0.874 344 S HN 0.313 nan 8.310 nan 0.000 0.451 345 E N 1.116 121.272 120.200 -0.073 0.000 2.086 345 E HA -0.228 4.122 4.350 0.001 0.000 0.200 345 E C 2.259 178.763 176.600 -0.159 0.000 1.012 345 E CA 1.264 57.616 56.400 -0.080 0.000 0.812 345 E CB -0.263 29.414 29.700 -0.038 0.000 0.743 345 E HN 0.498 nan 8.360 nan 0.000 0.453 346 A N 0.363 123.033 122.820 -0.249 0.000 1.902 346 A HA -0.198 4.123 4.320 0.001 0.000 0.217 346 A C 2.030 179.422 177.584 -0.320 0.000 1.181 346 A CA 1.454 53.262 52.037 -0.381 0.000 0.623 346 A CB -0.291 18.232 19.000 -0.795 0.000 0.818 346 A HN 0.124 nan 8.150 nan 0.000 0.443 347 M N 0.169 119.475 119.600 -0.491 0.000 2.156 347 M HA -0.052 4.428 4.480 0.001 0.000 0.264 347 M C 1.315 177.544 176.300 -0.119 0.000 1.067 347 M CA 1.242 56.227 55.300 -0.525 0.000 1.131 347 M CB -0.789 30.958 32.600 -1.421 0.000 1.368 347 M HN 0.365 nan 8.290 nan 0.000 0.416 348 D N 0.016 120.361 120.400 -0.092 0.000 2.149 348 D HA -0.105 4.535 4.640 0.001 0.000 0.198 348 D C 1.940 178.264 176.300 0.040 0.000 0.990 348 D CA 1.624 55.652 54.000 0.047 0.000 0.839 348 D CB -0.334 40.494 40.800 0.046 0.000 0.948 348 D HN 0.367 nan 8.370 nan 0.000 0.460 349 A N 0.471 123.278 122.820 -0.021 0.000 1.933 349 A HA -0.164 4.156 4.320 0.001 0.000 0.218 349 A C 2.047 179.636 177.584 0.009 0.000 1.175 349 A CA 0.840 52.851 52.037 -0.043 0.000 0.628 349 A CB -0.881 18.059 19.000 -0.099 0.000 0.814 349 A HN 0.202 nan 8.150 nan 0.000 0.444 350 F N 1.109 120.991 119.950 -0.113 0.000 2.046 350 F HA -0.081 4.447 4.527 0.001 0.000 0.297 350 F C 2.341 178.107 175.800 -0.056 0.000 1.123 350 F CA 1.853 59.806 58.000 -0.079 0.000 1.199 350 F CB -0.851 38.105 39.000 -0.073 0.000 0.972 350 F HN 0.185 nan 8.300 nan 0.000 0.474 351 G N 0.168 109.234 108.800 0.443 0.000 2.403 351 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 351 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 351 G C 1.846 176.771 174.900 0.042 0.000 1.154 351 G CA 0.573 45.818 45.100 0.242 0.000 0.784 351 G HN 0.452 nan 8.290 nan 0.000 0.538 352 L N -0.319 120.909 121.223 0.010 0.000 2.079 352 L HA -0.039 4.301 4.340 0.001 0.000 0.210 352 L C 2.750 179.537 176.870 -0.138 0.000 1.081 352 L CA 0.956 55.729 54.840 -0.113 0.000 0.752 352 L CB -0.154 41.805 42.059 -0.167 0.000 0.896 352 L HN 0.248 nan 8.230 nan 0.000 0.433 353 L N -0.572 120.569 121.223 -0.137 0.000 2.046 353 L HA -0.265 4.075 4.340 0.001 0.000 0.208 353 L C 2.648 179.419 176.870 -0.165 0.000 1.077 353 L CA 1.711 56.453 54.840 -0.164 0.000 0.747 353 L CB -0.482 41.440 42.059 -0.228 0.000 0.896 353 L HN 0.328 nan 8.230 nan 0.000 0.432 354 C N -0.712 118.480 119.300 -0.181 0.000 2.413 354 C HA -0.163 4.297 4.460 0.001 0.000 0.277 354 C C 2.777 177.711 174.990 -0.093 0.000 1.265 354 C CA 1.080 60.014 59.018 -0.140 0.000 1.752 354 C CB -1.165 26.522 27.740 -0.089 0.000 1.998 354 C HN 0.501 nan 8.230 nan 0.000 0.489 355 R N -0.692 119.759 120.500 -0.082 0.000 2.087 355 R HA 0.115 4.456 4.340 0.001 0.000 0.216 355 R C 2.173 178.441 176.300 -0.052 0.000 1.114 355 R CA 0.842 56.905 56.100 -0.062 0.000 1.002 355 R CB -0.268 30.000 30.300 -0.054 0.000 0.903 355 R HN 0.338 nan 8.270 nan 0.000 0.445 356 M N 0.640 120.201 119.600 -0.066 0.000 2.419 356 M HA -0.015 4.466 4.480 0.001 0.000 0.264 356 M C 1.018 177.307 176.300 -0.019 0.000 1.082 356 M CA 1.492 56.770 55.300 -0.038 0.000 1.119 356 M CB -0.115 32.453 32.600 -0.053 0.000 1.398 356 M HN 0.089 nan 8.290 nan 0.000 0.453 357 E N -1.461 118.716 120.200 -0.037 0.000 2.474 357 E HA 0.276 4.626 4.350 0.001 0.000 0.215 357 E C 1.275 177.841 176.600 -0.057 0.000 0.867 357 E CA 0.818 57.211 56.400 -0.013 0.000 1.135 357 E CB 0.694 30.407 29.700 0.022 0.000 1.147 357 E HN 0.457 nan 8.360 nan 0.000 0.534 358 G N 1.995 110.747 108.800 -0.079 0.000 2.157 358 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 358 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 358 G C 0.236 175.067 174.900 -0.116 0.000 0.979 358 G CA 0.330 45.378 45.100 -0.086 0.000 0.650 358 G HN 0.211 nan 8.290 nan 0.000 0.529 359 I N 1.094 121.577 120.570 -0.145 0.000 2.377 359 I HA 0.500 4.670 4.170 0.001 0.000 0.293 359 I C 0.441 176.430 176.117 -0.213 0.000 0.987 359 I CA -1.091 60.108 61.300 -0.168 0.000 1.185 359 I CB 1.548 39.443 38.000 -0.175 0.000 1.341 359 I HN 0.004 nan 8.210 nan 0.000 0.455 360 I N 8.478 128.924 120.570 -0.206 0.000 2.297 360 I HA 0.306 4.476 4.170 0.001 0.000 0.291 360 I C -2.110 173.804 176.117 -0.339 0.000 1.033 360 I CA -1.724 59.392 61.300 -0.306 0.000 1.253 360 I CB 0.789 38.700 38.000 -0.149 0.000 1.396 360 I HN 0.304 nan 8.210 nan 0.000 0.476 361 P HA 0.256 nan 4.420 nan 0.000 0.282 361 P C -0.395 176.792 177.300 -0.188 0.000 1.249 361 P CA -0.422 62.455 63.100 -0.372 0.000 0.806 361 P CB 1.215 32.649 31.700 -0.442 0.000 0.984 362 A N 3.262 126.060 122.820 -0.036 0.000 2.616 362 A HA -0.083 4.238 4.320 0.001 0.000 0.234 362 A C 1.753 179.419 177.584 0.136 0.000 1.024 362 A CA 0.137 52.216 52.037 0.070 0.000 0.758 362 A CB -0.831 18.203 19.000 0.056 0.000 0.939 362 A HN 0.585 nan 8.150 nan 0.000 0.510 363 I N 1.046 121.747 120.570 0.219 0.000 2.151 363 I HA -0.317 3.853 4.170 0.001 0.000 0.243 363 I C 2.432 178.674 176.117 0.208 0.000 1.080 363 I CA 2.095 63.519 61.300 0.206 0.000 1.339 363 I CB -0.394 37.697 38.000 0.153 0.000 1.039 363 I HN 1.045 nan 8.210 nan 0.000 0.409 364 E N 1.044 121.378 120.200 0.222 0.000 2.172 364 E HA -0.323 4.027 4.350 0.001 0.000 0.213 364 E C 2.006 178.765 176.600 0.264 0.000 1.051 364 E CA 2.497 59.048 56.400 0.252 0.000 0.860 364 E CB -0.035 29.751 29.700 0.143 0.000 0.755 364 E HN 0.490 nan 8.360 nan 0.000 0.462 365 S N -0.152 115.629 115.700 0.136 0.000 2.470 365 S HA 0.182 4.652 4.470 0.001 0.000 0.222 365 S C 1.902 176.520 174.600 0.030 0.000 1.024 365 S CA 0.361 58.609 58.200 0.080 0.000 0.931 365 S CB 0.306 63.519 63.200 0.023 0.000 0.791 365 S HN 0.504 nan 8.310 nan 0.000 0.513 366 A N 2.081 124.896 122.820 -0.008 0.000 1.917 366 A HA -0.239 4.081 4.320 0.001 0.000 0.219 366 A C 1.704 179.203 177.584 -0.140 0.000 1.182 366 A CA 2.034 54.020 52.037 -0.085 0.000 0.633 366 A CB -1.011 17.977 19.000 -0.020 0.000 0.819 366 A HN 0.574 nan 8.150 nan 0.000 0.448 367 H N -0.319 118.744 119.070 -0.011 0.000 2.353 367 H HA -0.027 4.529 4.556 0.001 0.000 0.298 367 H C 2.421 177.681 175.328 -0.112 0.000 1.103 367 H CA 1.881 57.906 56.048 -0.038 0.000 1.293 367 H CB -0.253 29.534 29.762 0.040 0.000 1.372 367 H HN 0.546 nan 8.280 nan 0.000 0.501 368 A N 0.247 123.127 122.820 0.101 0.000 1.930 368 A HA -0.097 4.224 4.320 0.001 0.000 0.217 368 A C 2.554 180.077 177.584 -0.101 0.000 1.175 368 A CA 1.442 53.514 52.037 0.059 0.000 0.627 368 A CB -0.664 18.439 19.000 0.172 0.000 0.815 368 A HN 0.270 nan 8.150 nan 0.000 0.443 369 V N -0.286 119.574 119.914 -0.090 0.000 2.515 369 V HA -0.186 3.934 4.120 0.001 0.000 0.250 369 V C 2.993 178.984 176.094 -0.171 0.000 1.058 369 V CA 1.654 63.892 62.300 -0.104 0.000 1.064 369 V CB -0.878 30.890 31.823 -0.090 0.000 0.675 369 V HN 0.606 nan 8.190 nan 0.000 0.461 370 A N 0.336 123.025 122.820 -0.218 0.000 1.902 370 A HA -0.079 4.241 4.320 0.001 0.000 0.217 370 A C 2.373 179.736 177.584 -0.368 0.000 1.181 370 A CA 1.945 53.840 52.037 -0.238 0.000 0.623 370 A CB -1.020 17.852 19.000 -0.215 0.000 0.818 370 A HN 0.519 nan 8.150 nan 0.000 0.443 371 G N -0.845 107.509 108.800 -0.743 0.000 2.408 371 G HA2 0.131 4.091 3.960 0.001 0.000 0.215 371 G HA3 0.131 4.091 3.960 0.001 0.000 0.215 371 G C 1.728 176.259 174.900 -0.615 0.000 1.156 371 G CA 1.145 45.371 45.100 -1.457 0.000 0.793 371 G HN 0.754 nan 8.290 nan 0.000 0.535 372 A N 0.749 123.390 122.820 -0.299 0.000 1.948 372 A HA 0.003 4.323 4.320 0.001 0.000 0.220 372 A C 2.404 179.968 177.584 -0.033 0.000 1.177 372 A CA 1.291 53.315 52.037 -0.022 0.000 0.636 372 A CB -0.416 18.584 19.000 0.001 0.000 0.815 372 A HN 0.359 nan 8.150 nan 0.000 0.449 373 L N -0.995 120.174 121.223 -0.091 0.000 2.056 373 L HA -0.188 4.152 4.340 0.001 0.000 0.207 373 L C 2.668 179.523 176.870 -0.025 0.000 1.078 373 L CA 1.642 56.455 54.840 -0.046 0.000 0.749 373 L CB -0.525 41.499 42.059 -0.059 0.000 0.901 373 L HN 0.414 nan 8.230 nan 0.000 0.433 374 K N -0.222 120.140 120.400 -0.063 0.000 1.991 374 K HA -0.234 4.087 4.320 0.001 0.000 0.212 374 K C 2.012 178.642 176.600 0.050 0.000 1.049 374 K CA 1.210 57.495 56.287 -0.004 0.000 0.932 374 K CB -0.431 32.068 32.500 -0.002 0.000 0.717 374 K HN 0.055 nan 8.250 nan 0.000 0.441 375 L N 0.986 122.266 121.223 0.095 0.000 2.064 375 L HA -0.185 4.156 4.340 0.001 0.000 0.216 375 L C 2.215 179.128 176.870 0.071 0.000 1.077 375 L CA 2.144 57.058 54.840 0.123 0.000 0.766 375 L CB -1.342 40.833 42.059 0.193 0.000 0.890 375 L HN 0.346 nan 8.230 nan 0.000 0.435 376 G N -2.315 106.515 108.800 0.051 0.000 2.430 376 G HA2 -0.111 3.850 3.960 0.001 0.000 0.216 376 G HA3 -0.111 3.850 3.960 0.001 0.000 0.216 376 G C 1.678 176.595 174.900 0.029 0.000 1.146 376 G CA 0.677 45.800 45.100 0.038 0.000 0.793 376 G HN 0.301 nan 8.290 nan 0.000 0.537 377 V N 0.737 120.668 119.914 0.028 0.000 2.392 377 V HA -0.175 3.945 4.120 0.001 0.000 0.249 377 V C 2.539 178.649 176.094 0.025 0.000 1.059 377 V CA 2.302 64.616 62.300 0.023 0.000 1.051 377 V CB -0.081 31.756 31.823 0.024 0.000 0.658 377 V HN 0.625 nan 8.190 nan 0.000 0.455 378 E N -1.372 118.848 120.200 0.034 0.000 2.442 378 E HA -0.059 4.292 4.350 0.001 0.000 0.195 378 E C 1.706 178.325 176.600 0.031 0.000 1.030 378 E CA 0.318 56.739 56.400 0.035 0.000 0.869 378 E CB 0.355 30.085 29.700 0.049 0.000 0.857 378 E HN 0.462 nan 8.360 nan 0.000 0.505 379 L N -0.841 120.400 121.223 0.030 0.000 2.685 379 L HA 0.354 4.695 4.340 0.001 0.000 0.235 379 L C 1.070 177.953 176.870 0.021 0.000 1.070 379 L CA 1.085 55.940 54.840 0.026 0.000 0.888 379 L CB 0.942 43.020 42.059 0.031 0.000 1.203 379 L HN 0.294 nan 8.230 nan 0.000 0.499 380 G N 0.247 109.059 108.800 0.020 0.000 2.488 380 G HA2 -0.298 3.663 3.960 0.001 0.000 0.237 380 G HA3 -0.298 3.663 3.960 0.001 0.000 0.237 380 G C 0.013 174.921 174.900 0.013 0.000 1.209 380 G CA 0.020 45.129 45.100 0.014 0.000 0.929 380 G HN 0.274 nan 8.290 nan 0.000 0.578 381 R N 1.322 121.828 120.500 0.010 0.000 2.390 381 R HA 0.472 4.813 4.340 0.001 0.000 0.291 381 R C 1.585 177.893 176.300 0.015 0.000 1.070 381 R CA 1.145 57.250 56.100 0.008 0.000 1.014 381 R CB 0.188 30.491 30.300 0.004 0.000 1.007 381 R HN 2.466 nan 8.270 nan 0.000 0.466 382 G N 2.323 111.134 108.800 0.018 0.000 2.196 382 G HA2 -0.388 3.573 3.960 0.001 0.000 0.268 382 G HA3 -0.388 3.573 3.960 0.001 0.000 0.268 382 G C 0.291 175.215 174.900 0.041 0.000 0.975 382 G CA 0.424 45.543 45.100 0.031 0.000 0.648 382 G HN 0.959 nan 8.290 nan 0.000 0.538 383 A N -0.636 122.205 122.820 0.035 0.000 2.561 383 A HA 0.466 4.787 4.320 0.001 0.000 0.234 383 A C 0.557 178.183 177.584 0.071 0.000 1.055 383 A CA 0.982 53.044 52.037 0.042 0.000 0.756 383 A CB 0.581 19.603 19.000 0.036 0.000 0.986 383 A HN 1.210 nan 8.150 nan 0.000 0.505 384 V N 4.848 124.808 119.914 0.077 0.000 2.313 384 V HA 0.291 4.411 4.120 0.001 0.000 0.278 384 V C -0.169 175.981 176.094 0.094 0.000 1.017 384 V CA -0.139 62.240 62.300 0.131 0.000 0.823 384 V CB 0.785 32.648 31.823 0.068 0.000 1.010 384 V HN 0.658 nan 8.190 nan 0.000 0.443 385 I N 5.524 126.181 120.570 0.145 0.000 2.354 385 I HA 0.384 4.555 4.170 0.001 0.000 0.286 385 I C -0.203 176.000 176.117 0.142 0.000 1.007 385 I CA -0.657 60.703 61.300 0.100 0.000 1.167 385 I CB 1.735 39.791 38.000 0.093 0.000 1.320 385 I HN 0.224 nan 8.210 nan 0.000 0.458 386 V N 7.499 127.445 119.914 0.054 0.000 2.498 386 V HA 0.280 4.401 4.120 0.001 0.000 0.279 386 V C 0.263 176.390 176.094 0.056 0.000 1.048 386 V CA -0.371 61.966 62.300 0.061 0.000 0.967 386 V CB 1.901 33.693 31.823 -0.052 0.000 0.988 386 V HN 0.432 nan 8.190 nan 0.000 0.473 387 V N 4.131 124.097 119.914 0.087 0.000 2.540 387 V HA 0.389 4.510 4.120 0.001 0.000 0.302 387 V C 0.024 176.152 176.094 0.057 0.000 1.035 387 V CA -0.989 61.356 62.300 0.075 0.000 0.873 387 V CB 1.984 33.851 31.823 0.073 0.000 0.992 387 V HN 0.846 nan 8.190 nan 0.000 0.428 388 N N 4.061 122.781 118.700 0.033 0.000 2.405 388 N HA 0.224 4.965 4.740 0.001 0.000 0.260 388 N C -0.653 174.874 175.510 0.028 0.000 1.152 388 N CA 0.015 53.075 53.050 0.016 0.000 0.948 388 N CB 0.474 38.941 38.487 -0.034 0.000 1.111 388 N HN 0.669 nan 8.380 nan 0.000 0.485 389 L N 2.873 124.112 121.223 0.026 0.000 2.334 389 L HA 0.206 4.546 4.340 0.001 0.000 0.286 389 L C -0.014 176.863 176.870 0.011 0.000 1.108 389 L CA -0.279 54.570 54.840 0.014 0.000 0.875 389 L CB 0.251 42.311 42.059 0.000 0.000 1.246 389 L HN 0.424 nan 8.230 nan 0.000 0.439 390 S N 2.663 118.375 115.700 0.021 0.000 2.422 390 S HA 0.744 5.214 4.470 0.001 0.000 0.298 390 S C 0.558 175.172 174.600 0.023 0.000 1.118 390 S CA 0.059 58.270 58.200 0.020 0.000 1.083 390 S CB 1.485 64.703 63.200 0.031 0.000 0.971 390 S HN 0.969 nan 8.310 nan 0.000 0.478 391 G N 3.443 112.251 108.800 0.012 0.000 2.512 391 G HA2 -0.151 3.810 3.960 0.001 0.000 0.210 391 G HA3 -0.151 3.810 3.960 0.001 0.000 0.210 391 G C -1.221 173.691 174.900 0.019 0.000 1.295 391 G CA -1.048 44.062 45.100 0.018 0.000 0.934 391 G HN 0.666 nan 8.290 nan 0.000 0.554 392 R N 0.819 121.333 120.500 0.024 0.000 2.287 392 R HA 0.496 4.836 4.340 0.001 0.000 0.316 392 R C 1.064 177.373 176.300 0.015 0.000 1.050 392 R CA -0.036 56.071 56.100 0.011 0.000 0.983 392 R CB 1.133 31.437 30.300 0.006 0.000 1.140 392 R HN 0.987 nan 8.270 nan 0.000 0.528 393 G N 1.970 110.773 108.800 0.006 0.000 3.186 393 G HA2 -0.093 3.868 3.960 0.001 0.000 0.214 393 G HA3 -0.093 3.868 3.960 0.001 0.000 0.214 393 G C -0.121 174.796 174.900 0.027 0.000 1.222 393 G CA -0.109 44.999 45.100 0.014 0.000 0.921 393 G HN 0.426 nan 8.290 nan 0.000 0.504 394 D N 1.537 121.946 120.400 0.016 0.000 2.393 394 D HA 0.226 4.867 4.640 0.001 0.000 0.232 394 D C 0.347 176.671 176.300 0.040 0.000 1.192 394 D CA -0.087 53.922 54.000 0.015 0.000 0.882 394 D CB 0.505 41.294 40.800 -0.017 0.000 1.038 394 D HN 0.284 nan 8.370 nan 0.000 0.499 395 K N 1.718 122.155 120.400 0.061 0.000 3.730 395 K HA -0.227 4.093 4.320 0.001 0.000 0.276 395 K C -0.549 176.094 176.600 0.073 0.000 0.904 395 K CA 0.273 56.601 56.287 0.069 0.000 0.741 395 K CB -1.150 31.379 32.500 0.047 0.000 1.542 395 K HN 0.417 nan 8.250 nan 0.000 0.446 396 D N 0.160 120.620 120.400 0.100 0.000 2.368 396 D HA -0.040 4.600 4.640 0.001 0.000 0.250 396 D C 1.294 177.675 176.300 0.134 0.000 1.142 396 D CA 0.424 54.498 54.000 0.123 0.000 0.925 396 D CB 0.197 41.103 40.800 0.176 0.000 0.896 396 D HN 0.276 nan 8.370 nan 0.000 0.525 397 V N 0.017 120.005 119.914 0.123 0.000 2.492 397 V HA -0.132 3.988 4.120 0.001 0.000 0.241 397 V C 2.259 178.402 176.094 0.080 0.000 1.041 397 V CA 0.612 62.991 62.300 0.132 0.000 1.057 397 V CB -0.309 31.584 31.823 0.117 0.000 0.711 397 V HN 0.074 nan 8.190 nan 0.000 0.468 398 E N 0.866 121.105 120.200 0.066 0.000 2.330 398 E HA -0.357 3.993 4.350 0.001 0.000 0.239 398 E C 2.190 178.822 176.600 0.053 0.000 1.097 398 E CA 2.803 59.235 56.400 0.053 0.000 1.031 398 E CB -0.735 28.994 29.700 0.048 0.000 0.885 398 E HN 0.626 nan 8.360 nan 0.000 0.479 399 T N 0.309 114.892 114.554 0.048 0.000 2.896 399 T HA 0.064 4.414 4.350 0.001 0.000 0.263 399 T C 1.855 176.576 174.700 0.035 0.000 1.050 399 T CA 1.229 63.356 62.100 0.044 0.000 1.140 399 T CB -0.140 68.749 68.868 0.035 0.000 0.877 399 T HN 0.344 nan 8.240 nan 0.000 0.457 400 A N 1.481 124.276 122.820 -0.042 0.000 1.898 400 A HA 0.256 4.576 4.320 0.001 0.000 0.216 400 A C 2.562 180.245 177.584 0.165 0.000 1.181 400 A CA 1.622 53.566 52.037 -0.155 0.000 0.620 400 A CB -0.966 17.678 19.000 -0.594 0.000 0.819 400 A HN 0.477 nan 8.150 nan 0.000 0.442 401 A N -0.249 122.648 122.820 0.128 0.000 2.066 401 A HA -0.067 4.253 4.320 0.001 0.000 0.218 401 A C 2.032 179.729 177.584 0.188 0.000 1.157 401 A CA 1.528 53.673 52.037 0.180 0.000 0.670 401 A CB -0.319 18.739 19.000 0.097 0.000 0.804 401 A HN 0.565 nan 8.150 nan 0.000 0.453 402 K N -1.164 119.313 120.400 0.129 0.000 1.985 402 K HA -0.182 4.138 4.320 0.001 0.000 0.210 402 K C 1.886 178.537 176.600 0.084 0.000 1.047 402 K CA 1.318 57.655 56.287 0.083 0.000 0.932 402 K CB -0.385 32.142 32.500 0.044 0.000 0.716 402 K HN 0.717 nan 8.250 nan 0.000 0.439 403 W N 1.688 122.919 121.300 -0.116 0.000 2.279 403 W HA -0.241 4.420 4.660 0.001 0.000 0.298 403 W C -0.223 176.007 176.519 -0.482 0.000 1.228 403 W CA 1.479 58.606 57.345 -0.362 0.000 1.230 403 W CB -0.115 28.980 29.460 -0.608 0.000 1.138 403 W HN -0.090 nan 8.180 nan 0.000 0.532 404 F N 0.000 119.988 119.950 0.063 0.000 2.286 404 F HA 0.000 4.527 4.527 0.001 0.000 0.279 404 F CA 0.000 58.007 58.000 0.012 0.000 1.383 404 F CB 0.000 39.038 39.000 0.063 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574