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 2vn8_1_B DATA FIRST_RESID -2 DATA SEQUENCE QSMXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXAWV DATA SEQUENCE IDKYGKNEVL RFTQNMMMPI IHYPNEVIVK VHAASVNPID VNMRSGYGAT DATA SEQUENCE ALNMKRDPLH VKIKGEEFPL TLGRDVSGVV MECGLDVKYF KPGDEVWAAV DATA SEQUENCE PPWKQGTLSE FVVVSGNEVS HKPKSLTHTQ AASLPYVALT AWSAINKVGG DATA SEQUENCE LNDKNCTGKR VLILGASGGV GTFAIQVMKA WDAHVTAVCS QDASELVRKL DATA SEQUENCE GADDVIDYKS GSVEEQLKSL KPFDFILDNV GGSTETWAPD FLKKWSGATY DATA SEQUENCE VTLVTPFLLN MDRLGIADGM LQTGVTVGSK ALKHFWKGVH YRWAFFMASG DATA SEQUENCE PCLDDIAELV DAGKIRPVIE QTFPFSKVPE AFLKVERGHA RGKTVINVV 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 -2 Q HA 0.000 nan 4.340 nan 0.000 0.214 -2 Q C 0.000 176.004 176.000 0.006 0.000 1.003 -2 Q CA 0.000 55.793 55.803 -0.016 0.000 1.022 -2 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 -1 S N 0.277 115.979 115.700 0.004 0.000 2.570 -1 S HA 0.950 5.420 4.470 -0.000 0.000 0.286 -1 S C -0.155 174.420 174.600 -0.041 0.000 1.099 -1 S CA -0.501 57.725 58.200 0.043 0.000 0.913 -1 S CB 1.661 64.958 63.200 0.162 0.000 1.085 -1 S HN 0.627 nan 8.310 nan 0.000 0.480 46 W N 0.912 122.219 121.300 0.011 0.000 2.429 46 W HA 0.576 5.236 4.660 -0.000 0.000 0.314 46 W C 0.184 176.661 176.519 -0.069 0.000 1.062 46 W CA -0.042 57.251 57.345 -0.087 0.000 1.211 46 W CB 2.088 31.429 29.460 -0.199 0.000 1.305 46 W HN 0.978 nan 8.180 nan 0.000 0.476 47 V N 2.502 122.488 119.914 0.121 0.000 3.130 47 V HA 0.756 4.876 4.120 -0.000 0.000 0.310 47 V C -0.588 175.535 176.094 0.048 0.000 1.158 47 V CA -1.618 60.727 62.300 0.074 0.000 1.029 47 V CB 1.844 33.682 31.823 0.024 0.000 1.057 47 V HN 0.494 nan 8.190 nan 0.000 0.436 48 I N -1.207 119.395 120.570 0.054 0.000 2.569 48 I HA 0.667 4.837 4.170 -0.000 0.000 0.296 48 I C -0.399 175.648 176.117 -0.118 0.000 1.028 48 I CA -0.428 60.856 61.300 -0.026 0.000 1.082 48 I CB 2.454 40.457 38.000 0.005 0.000 1.264 48 I HN 0.569 nan 8.210 nan 0.000 0.429 49 D N 3.761 123.944 120.400 -0.363 0.000 2.398 49 D HA 0.101 4.741 4.640 -0.000 0.000 0.210 49 D C -0.184 175.310 176.300 -1.343 0.000 1.094 49 D CA 0.461 54.078 54.000 -0.639 0.000 0.839 49 D CB 0.619 41.217 40.800 -0.336 0.000 0.963 49 D HN 0.702 nan 8.370 nan 0.000 0.506 50 K N -0.526 119.166 120.400 -1.179 0.000 2.578 50 K HA 0.223 4.543 4.320 -0.000 0.000 0.269 50 K C -1.390 174.911 176.600 -0.498 0.000 0.941 50 K CA -0.787 54.906 56.287 -0.990 0.000 0.847 50 K CB 0.790 33.018 32.500 -0.452 0.000 1.397 50 K HN -0.352 nan 8.250 nan 0.000 0.422 51 Y N 0.656 120.956 120.300 0.000 0.000 2.457 51 Y HA 0.512 5.062 4.550 -0.000 0.000 0.341 51 Y C 1.362 177.280 175.900 0.032 0.000 1.240 51 Y CA 1.687 59.850 58.100 0.105 0.000 1.437 51 Y CB 1.174 39.740 38.460 0.177 0.000 1.328 51 Y HN 1.007 nan 8.280 nan 0.000 0.588 52 G N -0.019 108.906 108.800 0.208 0.000 2.367 52 G HA2 0.265 4.225 3.960 -0.000 0.000 0.272 52 G HA3 0.265 4.225 3.960 -0.000 0.000 0.272 52 G C -1.087 173.866 174.900 0.089 0.000 1.271 52 G CA -1.070 44.097 45.100 0.113 0.000 0.893 52 G HN 0.364 nan 8.290 nan 0.000 0.485 53 K N -0.443 119.987 120.400 0.051 0.000 2.273 53 K HA 0.317 4.637 4.320 -0.000 0.000 0.240 53 K C 1.514 178.126 176.600 0.020 0.000 1.056 53 K CA 0.147 56.457 56.287 0.038 0.000 0.910 53 K CB 0.673 33.187 32.500 0.024 0.000 1.196 53 K HN 0.591 nan 8.250 nan 0.000 0.509 54 N N 1.591 120.297 118.700 0.009 0.000 2.272 54 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 54 N C 1.756 177.231 175.510 -0.058 0.000 1.014 54 N CA 1.860 54.893 53.050 -0.028 0.000 0.870 54 N CB -0.159 38.311 38.487 -0.028 0.000 0.975 54 N HN 0.718 nan 8.380 nan 0.000 0.433 55 E N -0.266 119.915 120.200 -0.031 0.000 2.273 55 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 55 E C 1.614 178.195 176.600 -0.032 0.000 1.002 55 E CA 1.528 57.912 56.400 -0.027 0.000 0.828 55 E CB -0.447 29.243 29.700 -0.017 0.000 0.747 55 E HN 0.362 nan 8.360 nan 0.000 0.491 56 V N -0.376 119.513 119.914 -0.041 0.000 3.141 56 V HA 0.058 4.178 4.120 -0.000 0.000 0.265 56 V C 1.242 177.304 176.094 -0.053 0.000 1.126 56 V CA 0.354 62.620 62.300 -0.057 0.000 1.141 56 V CB -0.872 30.912 31.823 -0.065 0.000 0.743 56 V HN 0.111 nan 8.190 nan 0.000 0.492 57 L N 2.104 123.289 121.223 -0.063 0.000 2.455 57 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 57 L C 0.510 177.481 176.870 0.167 0.000 1.174 57 L CA 0.442 55.274 54.840 -0.014 0.000 0.869 57 L CB 0.343 42.273 42.059 -0.215 0.000 1.130 57 L HN 0.372 nan 8.230 nan 0.000 0.474 58 R N 3.720 124.343 120.500 0.205 0.000 2.538 58 R HA 0.338 4.678 4.340 -0.000 0.000 0.292 58 R C -1.353 174.858 176.300 -0.147 0.000 1.008 58 R CA -0.712 55.427 56.100 0.065 0.000 0.896 58 R CB 1.293 31.573 30.300 -0.033 0.000 1.187 58 R HN 0.380 nan 8.270 nan 0.000 0.440 59 F N 3.179 122.700 119.950 -0.716 0.000 2.410 59 F HA 0.427 4.954 4.527 -0.000 0.000 0.348 59 F C -0.449 175.035 175.800 -0.528 0.000 1.106 59 F CA 0.524 57.839 58.000 -1.142 0.000 1.163 59 F CB 1.639 39.733 39.000 -1.510 0.000 1.129 59 F HN 0.461 nan 8.300 nan 0.000 0.516 60 T N 5.116 118.951 114.554 -1.197 0.000 2.909 60 T HA 0.272 4.622 4.350 -0.000 0.000 0.299 60 T C -0.203 173.954 174.700 -0.904 0.000 1.073 60 T CA -0.522 61.099 62.100 -0.798 0.000 0.999 60 T CB 1.700 70.326 68.868 -0.403 0.000 1.098 60 T HN 0.755 nan 8.240 nan 0.000 0.477 61 Q N 2.327 121.815 119.800 -0.519 0.000 2.219 61 Q HA 0.229 4.569 4.340 -0.000 0.000 0.209 61 Q C 0.385 176.283 176.000 -0.170 0.000 0.854 61 Q CA 0.025 55.647 55.803 -0.302 0.000 0.960 61 Q CB 0.255 28.909 28.738 -0.141 0.000 1.116 61 Q HN 0.651 nan 8.270 nan 0.000 0.500 62 N N -0.044 118.551 118.700 -0.174 0.000 2.238 62 N HA 0.151 4.891 4.740 -0.000 0.000 0.222 62 N C -0.264 175.192 175.510 -0.090 0.000 1.133 62 N CA -0.183 52.803 53.050 -0.106 0.000 0.854 62 N CB 0.499 38.929 38.487 -0.094 0.000 1.041 62 N HN 0.022 nan 8.380 nan 0.000 0.510 63 M N 1.959 121.499 119.600 -0.100 0.000 2.246 63 M HA 0.141 4.621 4.480 -0.000 0.000 0.350 63 M C 0.636 176.921 176.300 -0.025 0.000 1.406 63 M CA 0.256 55.522 55.300 -0.057 0.000 1.089 63 M CB 0.066 32.638 32.600 -0.047 0.000 1.782 63 M HN 0.262 nan 8.290 nan 0.000 0.457 64 M N 4.226 123.813 119.600 -0.020 0.000 2.248 64 M HA 0.151 4.631 4.480 -0.000 0.000 0.345 64 M C 0.164 176.459 176.300 -0.010 0.000 1.243 64 M CA -0.218 55.071 55.300 -0.019 0.000 1.090 64 M CB -0.576 32.011 32.600 -0.021 0.000 1.683 64 M HN 0.760 nan 8.290 nan 0.000 0.450 65 M N 5.661 125.245 119.600 -0.027 0.000 2.284 65 M HA 0.354 4.834 4.480 -0.000 0.000 0.351 65 M C -2.121 174.146 176.300 -0.054 0.000 1.443 65 M CA -1.997 53.272 55.300 -0.052 0.000 1.031 65 M CB -0.332 32.200 32.600 -0.113 0.000 1.893 65 M HN 0.607 nan 8.290 nan 0.000 0.456 66 P HA 0.072 nan 4.420 nan 0.000 0.262 66 P C -0.996 176.261 177.300 -0.072 0.000 1.182 66 P CA 0.049 63.133 63.100 -0.025 0.000 0.761 66 P CB -0.089 31.627 31.700 0.027 0.000 0.795 67 I N -0.003 120.533 120.570 -0.056 0.000 2.530 67 I HA 0.467 4.637 4.170 -0.000 0.000 0.297 67 I C 0.212 176.293 176.117 -0.061 0.000 1.011 67 I CA -1.293 59.965 61.300 -0.070 0.000 1.107 67 I CB 1.253 39.209 38.000 -0.074 0.000 1.285 67 I HN 0.200 nan 8.210 nan 0.000 0.436 68 I N 3.215 123.748 120.570 -0.061 0.000 2.389 68 I HA 0.118 4.288 4.170 -0.000 0.000 0.295 68 I C 1.613 177.668 176.117 -0.103 0.000 1.117 68 I CA 0.017 61.288 61.300 -0.049 0.000 1.317 68 I CB 0.132 38.117 38.000 -0.025 0.000 1.431 68 I HN 0.828 nan 8.210 nan 0.000 0.521 69 H N 3.789 122.749 119.070 -0.184 0.000 2.403 69 H HA 0.065 4.621 4.556 -0.000 0.000 0.298 69 H C -0.257 174.753 175.328 -0.529 0.000 1.059 69 H CA 0.784 56.582 56.048 -0.416 0.000 1.363 69 H CB -0.140 29.251 29.762 -0.618 0.000 1.410 69 H HN 0.464 nan 8.280 nan 0.000 0.528 70 Y N -0.549 119.757 120.300 0.011 0.000 2.509 70 Y HA 0.357 4.907 4.550 -0.000 0.000 0.341 70 Y C -1.731 174.177 175.900 0.012 0.000 1.038 70 Y CA -3.350 54.758 58.100 0.014 0.000 1.089 70 Y CB 1.354 39.827 38.460 0.023 0.000 1.241 70 Y HN -0.049 nan 8.280 nan 0.000 0.468 71 P HA -0.069 nan 4.420 nan 0.000 0.242 71 P C 0.125 177.478 177.300 0.088 0.000 1.197 71 P CA 1.076 64.234 63.100 0.097 0.000 0.765 71 P CB 0.280 32.025 31.700 0.075 0.000 0.936 72 N N -0.700 118.066 118.700 0.110 0.000 2.280 72 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 72 N C 0.210 175.768 175.510 0.081 0.000 1.109 72 N CA 0.039 53.139 53.050 0.084 0.000 0.855 72 N CB -0.029 38.499 38.487 0.068 0.000 0.974 72 N HN 0.196 nan 8.380 nan 0.000 0.482 73 E N 0.309 120.565 120.200 0.093 0.000 2.318 73 E HA 0.465 4.815 4.350 -0.000 0.000 0.265 73 E C -0.768 175.850 176.600 0.031 0.000 1.069 73 E CA -0.677 55.764 56.400 0.068 0.000 0.893 73 E CB 2.187 31.944 29.700 0.094 0.000 1.076 73 E HN -0.148 nan 8.360 nan 0.000 0.414 74 V N 2.717 122.631 119.914 -0.000 0.000 2.709 74 V HA 0.349 4.468 4.120 -0.000 0.000 0.308 74 V C -0.474 175.615 176.094 -0.009 0.000 1.062 74 V CA -0.679 61.608 62.300 -0.023 0.000 0.901 74 V CB 1.649 33.406 31.823 -0.110 0.000 1.003 74 V HN 0.518 nan 8.190 nan 0.000 0.425 75 I N 4.362 124.935 120.570 0.006 0.000 2.336 75 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 75 I C -0.548 175.616 176.117 0.078 0.000 0.991 75 I CA -0.574 60.745 61.300 0.031 0.000 1.227 75 I CB 1.718 39.708 38.000 -0.016 0.000 1.366 75 I HN 0.269 nan 8.210 nan 0.000 0.466 76 V N 6.468 126.455 119.914 0.121 0.000 2.495 76 V HA 0.300 4.420 4.120 -0.000 0.000 0.298 76 V C 0.072 176.299 176.094 0.222 0.000 1.031 76 V CA -0.967 61.414 62.300 0.135 0.000 0.871 76 V CB 1.861 33.727 31.823 0.072 0.000 0.988 76 V HN 0.614 nan 8.190 nan 0.000 0.432 77 K N 3.515 124.043 120.400 0.214 0.000 2.312 77 K HA 0.417 4.737 4.320 -0.000 0.000 0.287 77 K C -0.713 175.877 176.600 -0.016 0.000 1.062 77 K CA -0.414 55.899 56.287 0.043 0.000 0.934 77 K CB 1.073 33.602 32.500 0.049 0.000 1.027 77 K HN 0.531 nan 8.250 nan 0.000 0.478 78 V N 6.457 126.275 119.914 -0.160 0.000 2.439 78 V HA 0.004 4.124 4.120 -0.000 0.000 0.271 78 V C 1.243 177.229 176.094 -0.180 0.000 1.040 78 V CA 0.002 62.242 62.300 -0.099 0.000 1.002 78 V CB 0.475 32.238 31.823 -0.101 0.000 1.000 78 V HN 0.895 nan 8.190 nan 0.000 0.477 79 H N 3.234 122.155 119.070 -0.248 0.000 2.418 79 H HA 0.416 4.972 4.556 -0.000 0.000 0.300 79 H C 0.816 176.077 175.328 -0.110 0.000 1.041 79 H CA 0.971 56.851 56.048 -0.280 0.000 1.364 79 H CB 0.962 30.334 29.762 -0.649 0.000 1.439 79 H HN 0.693 nan 8.280 nan 0.000 0.540 80 A N 0.388 123.269 122.820 0.102 0.000 2.556 80 A HA 0.720 5.040 4.320 -0.000 0.000 0.294 80 A C -1.273 176.389 177.584 0.131 0.000 1.091 80 A CA -0.028 52.086 52.037 0.128 0.000 0.704 80 A CB 1.802 20.905 19.000 0.171 0.000 1.300 80 A HN 0.297 nan 8.150 nan 0.000 0.406 81 A N 0.046 122.948 122.820 0.137 0.000 2.532 81 A HA 0.961 5.281 4.320 -0.000 0.000 0.290 81 A C -0.067 177.576 177.584 0.098 0.000 1.143 81 A CA 0.131 52.238 52.037 0.117 0.000 0.728 81 A CB 1.261 20.342 19.000 0.134 0.000 1.317 81 A HN 2.377 nan 8.150 nan 0.000 0.414 82 S N -0.706 115.023 115.700 0.048 0.000 2.677 82 S HA 0.789 5.259 4.470 -0.000 0.000 0.304 82 S C -0.961 173.601 174.600 -0.062 0.000 1.108 82 S CA -0.546 57.662 58.200 0.014 0.000 0.944 82 S CB 1.379 64.585 63.200 0.009 0.000 1.127 82 S HN 1.199 nan 8.310 nan 0.000 0.511 83 V N 2.738 122.584 119.914 -0.115 0.000 2.459 83 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 83 V C -0.256 175.677 176.094 -0.268 0.000 1.029 83 V CA -0.827 61.311 62.300 -0.270 0.000 0.874 83 V CB 1.293 32.886 31.823 -0.383 0.000 0.985 83 V HN 0.896 nan 8.190 nan 0.000 0.438 84 N N 4.298 122.789 118.700 -0.348 0.000 2.362 84 N HA 0.433 5.173 4.740 -0.000 0.000 0.299 84 N C -2.083 173.239 175.510 -0.314 0.000 1.170 84 N CA -1.460 51.409 53.050 -0.302 0.000 0.825 84 N CB 2.682 40.913 38.487 -0.427 0.000 1.299 84 N HN 0.213 nan 8.380 nan 0.000 0.502 85 P HA -0.075 nan 4.420 nan 0.000 0.218 85 P C 1.464 178.643 177.300 -0.202 0.000 1.148 85 P CA 0.600 63.577 63.100 -0.205 0.000 0.822 85 P CB 0.309 31.921 31.700 -0.146 0.000 0.784 86 I N -0.107 120.347 120.570 -0.192 0.000 2.454 86 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 86 I C 1.386 177.429 176.117 -0.124 0.000 1.156 86 I CA 1.705 62.930 61.300 -0.124 0.000 1.433 86 I CB -0.765 37.152 38.000 -0.139 0.000 1.082 86 I HN -0.124 nan 8.210 nan 0.000 0.432 87 D N -0.133 120.123 120.400 -0.240 0.000 2.097 87 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 87 D C 2.379 178.644 176.300 -0.059 0.000 0.984 87 D CA 1.610 55.501 54.000 -0.182 0.000 0.826 87 D CB -0.302 40.242 40.800 -0.427 0.000 0.973 87 D HN 0.276 nan 8.370 nan 0.000 0.460 88 V N 2.053 121.828 119.914 -0.231 0.000 2.343 88 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 88 V C 2.110 178.226 176.094 0.037 0.000 1.051 88 V CA 1.426 63.692 62.300 -0.057 0.000 1.036 88 V CB -0.454 31.273 31.823 -0.160 0.000 0.654 88 V HN 0.141 nan 8.190 nan 0.000 0.451 89 N N -0.190 118.494 118.700 -0.026 0.000 2.142 89 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 89 N C 1.832 177.435 175.510 0.155 0.000 1.023 89 N CA 1.510 54.559 53.050 -0.002 0.000 0.852 89 N CB -0.325 38.039 38.487 -0.204 0.000 0.998 89 N HN 0.413 nan 8.380 nan 0.000 0.424 90 M N 0.408 120.116 119.600 0.180 0.000 2.159 90 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 90 M C 2.214 178.668 176.300 0.257 0.000 1.063 90 M CA 0.979 56.396 55.300 0.195 0.000 1.110 90 M CB -0.093 32.609 32.600 0.171 0.000 1.374 90 M HN 0.073 nan 8.290 nan 0.000 0.411 91 R N -0.037 120.632 120.500 0.282 0.000 2.096 91 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 91 R C 1.668 178.171 176.300 0.339 0.000 1.127 91 R CA 1.706 58.007 56.100 0.335 0.000 0.968 91 R CB -0.114 30.364 30.300 0.297 0.000 0.861 91 R HN 0.264 nan 8.270 nan 0.000 0.440 92 S N -1.098 114.734 115.700 0.220 0.000 2.561 92 S HA 0.100 4.570 4.470 -0.000 0.000 0.225 92 S C 1.086 175.749 174.600 0.105 0.000 0.977 92 S CA 0.766 59.065 58.200 0.165 0.000 0.926 92 S CB 0.726 63.986 63.200 0.100 0.000 0.769 92 S HN 0.704 nan 8.310 nan 0.000 0.533 93 G N 0.528 109.300 108.800 -0.046 0.000 2.168 93 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.197 93 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.197 93 G C -0.076 174.632 174.900 -0.320 0.000 0.997 93 G CA -0.328 44.423 45.100 -0.580 0.000 0.658 93 G HN 0.508 nan 8.290 nan 0.000 0.513 94 Y N 1.412 121.601 120.300 -0.185 0.000 2.544 94 Y HA 0.366 4.916 4.550 -0.000 0.000 0.330 94 Y C 1.511 177.361 175.900 -0.085 0.000 1.136 94 Y CA 1.113 59.154 58.100 -0.099 0.000 1.417 94 Y CB 0.751 39.188 38.460 -0.039 0.000 1.229 94 Y HN 1.374 nan 8.280 nan 0.000 0.532 95 G N 3.399 111.818 108.800 -0.635 0.000 2.184 95 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 95 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 95 G C 1.130 175.888 174.900 -0.237 0.000 0.975 95 G CA 0.519 45.323 45.100 -0.493 0.000 0.642 95 G HN 1.353 nan 8.290 nan 0.000 0.536 96 A N -0.331 122.343 122.820 -0.245 0.000 1.883 96 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 96 A C 2.481 180.019 177.584 -0.078 0.000 1.186 96 A CA 2.941 54.870 52.037 -0.179 0.000 0.624 96 A CB -1.049 17.735 19.000 -0.360 0.000 0.822 96 A HN 0.849 nan 8.150 nan 0.000 0.444 97 T N 0.225 114.723 114.554 -0.094 0.000 2.635 97 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 97 T C 2.221 176.881 174.700 -0.067 0.000 1.040 97 T CA 2.089 64.151 62.100 -0.064 0.000 1.156 97 T CB -0.539 68.280 68.868 -0.081 0.000 0.863 97 T HN 0.642 nan 8.240 nan 0.000 0.430 98 A N 0.756 123.517 122.820 -0.098 0.000 1.898 98 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 98 A C 2.325 179.889 177.584 -0.032 0.000 1.181 98 A CA 1.122 53.109 52.037 -0.084 0.000 0.620 98 A CB -0.759 18.178 19.000 -0.104 0.000 0.819 98 A HN 0.478 nan 8.150 nan 0.000 0.442 99 L N -0.281 120.942 121.223 0.000 0.000 2.156 99 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 99 L C 2.099 179.008 176.870 0.065 0.000 1.095 99 L CA 0.854 55.742 54.840 0.080 0.000 0.770 99 L CB -0.523 41.606 42.059 0.117 0.000 0.914 99 L HN 0.359 nan 8.230 nan 0.000 0.439 100 N N -0.608 118.113 118.700 0.035 0.000 2.309 100 N HA -0.169 4.571 4.740 -0.000 0.000 0.182 100 N C 1.928 177.456 175.510 0.031 0.000 1.018 100 N CA 1.126 54.199 53.050 0.038 0.000 0.876 100 N CB -0.151 38.364 38.487 0.046 0.000 0.972 100 N HN 0.148 nan 8.380 nan 0.000 0.434 101 M N 0.778 120.380 119.600 0.003 0.000 2.213 101 M HA 0.005 4.485 4.480 -0.000 0.000 0.263 101 M C 1.839 178.094 176.300 -0.075 0.000 1.062 101 M CA 1.257 56.545 55.300 -0.020 0.000 1.105 101 M CB -0.524 32.045 32.600 -0.051 0.000 1.385 101 M HN 0.077 nan 8.290 nan 0.000 0.417 102 K N -0.498 119.825 120.400 -0.128 0.000 2.116 102 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 102 K C 2.075 178.578 176.600 -0.160 0.000 1.052 102 K CA 1.296 57.404 56.287 -0.297 0.000 0.952 102 K CB -0.466 31.684 32.500 -0.583 0.000 0.729 102 K HN 0.524 nan 8.250 nan 0.000 0.446 103 R N 0.563 121.066 120.500 0.006 0.000 2.115 103 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 103 R C 0.266 176.587 176.300 0.036 0.000 1.111 103 R CA 1.084 57.233 56.100 0.080 0.000 0.976 103 R CB 0.037 30.390 30.300 0.087 0.000 0.870 103 R HN 0.031 nan 8.270 nan 0.000 0.445 104 D N -0.994 119.412 120.400 0.010 0.000 2.400 104 D HA 0.189 4.829 4.640 -0.000 0.000 0.272 104 D C -2.093 174.215 176.300 0.014 0.000 1.220 104 D CA -2.310 51.695 54.000 0.007 0.000 0.897 104 D CB 1.369 42.161 40.800 -0.014 0.000 1.134 104 D HN -0.233 nan 8.370 nan 0.000 0.507 105 P HA -0.110 nan 4.420 nan 0.000 0.216 105 P C 0.876 178.185 177.300 0.015 0.000 1.150 105 P CA 0.930 64.020 63.100 -0.017 0.000 0.843 105 P CB 0.282 31.963 31.700 -0.032 0.000 0.787 106 L N -3.560 117.678 121.223 0.026 0.000 2.611 106 L HA 0.215 4.555 4.340 -0.000 0.000 0.229 106 L C 0.443 177.366 176.870 0.088 0.000 1.137 106 L CA -0.076 54.788 54.840 0.039 0.000 0.901 106 L CB -1.964 40.108 42.059 0.023 0.000 1.098 106 L HN 0.014 nan 8.230 nan 0.000 0.456 107 H N -0.200 118.862 119.070 -0.013 0.000 2.166 107 H HA -0.160 4.396 4.556 -0.000 0.000 0.323 107 H C 0.588 175.914 175.328 -0.003 0.000 0.936 107 H CA 0.452 56.495 56.048 -0.009 0.000 1.073 107 H CB -0.435 29.320 29.762 -0.012 0.000 1.592 107 H HN 0.143 nan 8.280 nan 0.000 0.346 108 V N -0.397 119.451 119.914 -0.111 0.000 3.578 108 V HA 0.207 4.327 4.120 -0.000 0.000 0.290 108 V C 1.550 177.548 176.094 -0.159 0.000 1.376 108 V CA 0.912 63.151 62.300 -0.101 0.000 1.083 108 V CB 0.067 31.867 31.823 -0.039 0.000 0.911 108 V HN 0.684 nan 8.190 nan 0.000 0.433 109 K N 0.781 121.030 120.400 -0.251 0.000 2.172 109 K HA 0.810 5.130 4.320 -0.000 0.000 0.276 109 K C -0.145 176.310 176.600 -0.241 0.000 1.013 109 K CA 0.260 56.429 56.287 -0.196 0.000 0.913 109 K CB 0.427 32.842 32.500 -0.141 0.000 1.055 109 K HN 0.485 nan 8.250 nan 0.000 0.461 110 I N 1.789 122.285 120.570 -0.122 0.000 2.779 110 I HA 0.475 4.645 4.170 -0.000 0.000 0.285 110 I C 0.872 176.966 176.117 -0.038 0.000 1.134 110 I CA -0.763 60.495 61.300 -0.070 0.000 1.398 110 I CB 0.590 38.574 38.000 -0.027 0.000 1.404 110 I HN 0.864 nan 8.210 nan 0.000 0.587 111 K N 3.690 124.096 120.400 0.010 0.000 2.448 111 K HA 0.378 4.698 4.320 -0.000 0.000 0.278 111 K C 0.907 177.547 176.600 0.066 0.000 1.009 111 K CA 0.916 57.233 56.287 0.050 0.000 0.995 111 K CB 0.251 32.801 32.500 0.083 0.000 0.917 111 K HN 2.328 nan 8.250 nan 0.000 0.481 112 G N 3.782 112.629 108.800 0.078 0.000 2.194 112 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 112 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 112 G C 0.655 175.590 174.900 0.058 0.000 0.987 112 G CA 0.371 45.563 45.100 0.154 0.000 0.635 112 G HN 0.744 nan 8.290 nan 0.000 0.520 113 E N 0.713 120.902 120.200 -0.019 0.000 2.478 113 E HA -0.046 4.304 4.350 -0.000 0.000 0.198 113 E C 2.247 178.794 176.600 -0.088 0.000 1.046 113 E CA 0.797 57.178 56.400 -0.032 0.000 0.870 113 E CB -0.016 29.664 29.700 -0.035 0.000 0.818 113 E HN 0.801 nan 8.360 nan 0.000 0.527 114 E N 0.599 120.665 120.200 -0.223 0.000 2.409 114 E HA -0.131 4.219 4.350 -0.000 0.000 0.198 114 E C 0.044 176.439 176.600 -0.342 0.000 1.024 114 E CA 0.480 56.701 56.400 -0.298 0.000 0.861 114 E CB -0.168 29.305 29.700 -0.378 0.000 0.788 114 E HN 0.176 nan 8.360 nan 0.000 0.521 115 F N 2.826 122.753 119.950 -0.038 0.000 2.379 115 F HA 0.365 4.892 4.527 -0.000 0.000 0.332 115 F C -1.626 174.148 175.800 -0.043 0.000 1.096 115 F CA -2.747 55.215 58.000 -0.063 0.000 1.105 115 F CB 0.649 39.584 39.000 -0.108 0.000 1.189 115 F HN -0.144 nan 8.300 nan 0.000 0.515 116 P HA 0.146 nan 4.420 nan 0.000 0.271 116 P C -1.185 176.212 177.300 0.161 0.000 1.216 116 P CA -0.255 62.953 63.100 0.179 0.000 0.771 116 P CB 1.480 33.218 31.700 0.062 0.000 0.864 117 L N 3.082 124.442 121.223 0.227 0.000 2.313 117 L HA 0.404 4.744 4.340 -0.000 0.000 0.283 117 L C -0.315 176.635 176.870 0.133 0.000 1.013 117 L CA 0.033 54.962 54.840 0.149 0.000 0.816 117 L CB 1.470 43.624 42.059 0.158 0.000 1.236 117 L HN 0.272 nan 8.230 nan 0.000 0.419 118 T N 6.252 120.869 114.554 0.105 0.000 2.733 118 T HA 0.502 4.852 4.350 -0.000 0.000 0.294 118 T C 0.389 175.157 174.700 0.113 0.000 0.956 118 T CA -0.280 61.889 62.100 0.116 0.000 0.987 118 T CB 0.278 69.212 68.868 0.110 0.000 0.920 118 T HN 0.436 nan 8.240 nan 0.000 0.470 119 L N 1.985 123.292 121.223 0.139 0.000 2.490 119 L HA 0.743 5.083 4.340 -0.000 0.000 0.245 119 L C 1.025 177.965 176.870 0.117 0.000 1.185 119 L CA -0.518 54.407 54.840 0.141 0.000 0.813 119 L CB 0.269 42.477 42.059 0.247 0.000 1.233 119 L HN 0.885 nan 8.230 nan 0.000 0.489 120 G N 0.197 109.028 108.800 0.052 0.000 3.355 120 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 120 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 120 G C -0.060 174.786 174.900 -0.091 0.000 1.097 120 G CA -0.752 44.344 45.100 -0.006 0.000 0.881 120 G HN 0.527 nan 8.290 nan 0.000 0.550 121 R N 0.668 121.048 120.500 -0.201 0.000 2.225 121 R HA 0.138 4.478 4.340 -0.000 0.000 0.194 121 R C -0.054 176.170 176.300 -0.126 0.000 0.957 121 R CA 0.239 56.188 56.100 -0.253 0.000 1.042 121 R CB 0.468 30.412 30.300 -0.592 0.000 1.004 121 R HN 0.589 nan 8.270 nan 0.000 0.509 122 D N 1.142 121.490 120.400 -0.087 0.000 2.168 122 D HA 0.261 4.901 4.640 -0.000 0.000 0.246 122 D C -0.884 175.437 176.300 0.034 0.000 1.050 122 D CA -0.182 53.808 54.000 -0.016 0.000 0.857 122 D CB 2.737 43.535 40.800 -0.004 0.000 1.169 122 D HN -0.250 nan 8.370 nan 0.000 0.453 123 V N 1.030 120.983 119.914 0.065 0.000 2.841 123 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 123 V C -1.253 174.955 176.094 0.189 0.000 1.090 123 V CA -0.347 62.017 62.300 0.106 0.000 0.930 123 V CB 2.219 34.089 31.823 0.078 0.000 1.014 123 V HN 0.467 nan 8.190 nan 0.000 0.425 124 S N 3.744 119.579 115.700 0.225 0.000 2.532 124 S HA 0.986 5.456 4.470 -0.000 0.000 0.299 124 S C -0.107 174.625 174.600 0.221 0.000 1.105 124 S CA 0.436 58.834 58.200 0.331 0.000 1.018 124 S CB 1.207 64.662 63.200 0.424 0.000 1.021 124 S HN 1.838 nan 8.310 nan 0.000 0.483 125 G N 2.083 110.987 108.800 0.173 0.000 2.450 125 G HA2 0.491 4.451 3.960 -0.000 0.000 0.273 125 G HA3 0.491 4.451 3.960 -0.000 0.000 0.273 125 G C -1.917 172.999 174.900 0.027 0.000 1.221 125 G CA -0.230 44.823 45.100 -0.079 0.000 0.900 125 G HN 0.897 nan 8.290 nan 0.000 0.483 126 V N 0.427 120.372 119.914 0.051 0.000 2.588 126 V HA 0.502 4.622 4.120 -0.000 0.000 0.304 126 V C 0.152 176.318 176.094 0.120 0.000 1.042 126 V CA -0.713 61.639 62.300 0.087 0.000 0.877 126 V CB 1.687 33.564 31.823 0.091 0.000 0.996 126 V HN 0.654 nan 8.190 nan 0.000 0.425 127 V N 6.354 126.335 119.914 0.112 0.000 2.450 127 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 127 V C 1.206 177.365 176.094 0.109 0.000 1.019 127 V CA 0.355 62.714 62.300 0.098 0.000 1.062 127 V CB 0.841 32.727 31.823 0.104 0.000 0.979 127 V HN 0.802 nan 8.190 nan 0.000 0.477 128 M N 2.617 122.281 119.600 0.107 0.000 2.325 128 M HA 0.258 4.738 4.480 -0.000 0.000 0.265 128 M C 0.786 177.113 176.300 0.045 0.000 1.094 128 M CA 1.088 56.440 55.300 0.088 0.000 1.161 128 M CB -0.253 32.402 32.600 0.092 0.000 1.358 128 M HN 0.730 nan 8.290 nan 0.000 0.446 129 E N -1.154 119.065 120.200 0.033 0.000 2.390 129 E HA 0.362 4.712 4.350 -0.000 0.000 0.280 129 E C -1.887 174.729 176.600 0.027 0.000 0.992 129 E CA -0.427 55.985 56.400 0.019 0.000 0.790 129 E CB 2.790 32.481 29.700 -0.016 0.000 1.248 129 E HN 0.151 nan 8.360 nan 0.000 0.447 130 C N 1.677 120.998 119.300 0.034 0.000 2.626 130 C HA 0.696 5.156 4.460 -0.000 0.000 0.310 130 C C 0.697 175.708 174.990 0.034 0.000 1.191 130 C CA -0.542 58.503 59.018 0.045 0.000 1.517 130 C CB 1.048 28.835 27.740 0.078 0.000 2.102 130 C HN 0.821 nan 8.230 nan 0.000 0.479 131 G N 1.123 109.946 108.800 0.038 0.000 2.636 131 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 131 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 131 G C 0.824 175.744 174.900 0.033 0.000 1.216 131 G CA -0.469 44.652 45.100 0.036 0.000 0.854 131 G HN 0.852 nan 8.290 nan 0.000 0.572 132 L N -0.015 121.224 121.223 0.026 0.000 2.265 132 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 132 L C 1.563 178.441 176.870 0.014 0.000 1.117 132 L CA 0.976 55.827 54.840 0.018 0.000 0.782 132 L CB -0.158 41.910 42.059 0.015 0.000 0.914 132 L HN 0.408 nan 8.230 nan 0.000 0.441 133 D N -0.866 119.548 120.400 0.022 0.000 2.367 133 D HA 0.058 4.698 4.640 -0.000 0.000 0.207 133 D C 0.673 176.978 176.300 0.008 0.000 1.034 133 D CA 0.211 54.218 54.000 0.012 0.000 0.861 133 D CB 0.384 41.199 40.800 0.025 0.000 0.943 133 D HN -0.012 nan 8.370 nan 0.000 0.515 134 V N 1.378 121.313 119.914 0.034 0.000 2.485 134 V HA 0.242 4.362 4.120 -0.000 0.000 0.287 134 V C 1.434 177.531 176.094 0.006 0.000 1.022 134 V CA 0.698 63.038 62.300 0.067 0.000 1.067 134 V CB 0.823 32.719 31.823 0.120 0.000 0.967 134 V HN 0.191 nan 8.190 nan 0.000 0.479 135 K N 3.878 124.220 120.400 -0.097 0.000 2.225 135 K HA 0.104 4.424 4.320 -0.000 0.000 0.204 135 K C 1.239 177.609 176.600 -0.383 0.000 1.047 135 K CA 0.714 56.786 56.287 -0.359 0.000 0.970 135 K CB -0.373 31.681 32.500 -0.743 0.000 0.939 135 K HN 0.674 nan 8.250 nan 0.000 0.472 136 Y N -0.337 119.923 120.300 -0.066 0.000 2.470 136 Y HA 0.465 5.015 4.550 -0.000 0.000 0.284 136 Y C -0.423 175.134 175.900 -0.572 0.000 1.188 136 Y CA -1.255 56.660 58.100 -0.309 0.000 1.269 136 Y CB -0.326 37.886 38.460 -0.413 0.000 1.094 136 Y HN 0.131 nan 8.280 nan 0.000 0.518 137 F N 0.389 120.427 119.950 0.146 0.000 2.547 137 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 137 F C -0.214 175.639 175.800 0.088 0.000 1.121 137 F CA -1.544 56.524 58.000 0.112 0.000 0.911 137 F CB 1.707 40.725 39.000 0.031 0.000 1.179 137 F HN -0.306 nan 8.300 nan 0.000 0.443 138 K N 2.154 122.716 120.400 0.270 0.000 2.340 138 K HA 0.613 4.933 4.320 -0.000 0.000 0.244 138 K C -3.025 173.672 176.600 0.163 0.000 0.973 138 K CA -2.334 54.055 56.287 0.171 0.000 0.828 138 K CB 1.550 34.122 32.500 0.121 0.000 1.226 138 K HN 0.146 nan 8.250 nan 0.000 0.437 139 P HA -0.053 nan 4.420 nan 0.000 0.264 139 P C 0.560 177.924 177.300 0.106 0.000 1.183 139 P CA 1.180 64.341 63.100 0.101 0.000 0.763 139 P CB 0.397 32.141 31.700 0.073 0.000 0.807 140 G N 1.838 110.705 108.800 0.112 0.000 2.213 140 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.226 140 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.226 140 G C -0.090 174.885 174.900 0.126 0.000 0.992 140 G CA -0.402 44.762 45.100 0.106 0.000 0.632 140 G HN 0.493 nan 8.290 nan 0.000 0.511 141 D N 1.811 122.313 120.400 0.171 0.000 2.414 141 D HA 0.431 5.071 4.640 -0.000 0.000 0.242 141 D C 0.554 176.978 176.300 0.206 0.000 1.129 141 D CA 0.345 54.489 54.000 0.240 0.000 0.885 141 D CB 0.640 41.672 40.800 0.386 0.000 1.198 141 D HN 0.488 nan 8.370 nan 0.000 0.437 142 E N 0.899 121.224 120.200 0.208 0.000 2.167 142 E HA 0.395 4.745 4.350 -0.000 0.000 0.284 142 E C -0.291 176.415 176.600 0.177 0.000 1.016 142 E CA -0.688 55.805 56.400 0.154 0.000 0.817 142 E CB 1.370 31.104 29.700 0.056 0.000 1.080 142 E HN 0.254 nan 8.360 nan 0.000 0.397 143 V N -0.069 119.944 119.914 0.165 0.000 3.130 143 V HA 0.720 4.840 4.120 -0.000 0.000 0.310 143 V C -1.338 174.922 176.094 0.277 0.000 1.158 143 V CA -1.026 61.379 62.300 0.174 0.000 1.029 143 V CB 1.806 33.659 31.823 0.050 0.000 1.057 143 V HN 0.736 nan 8.190 nan 0.000 0.436 144 W N 1.057 122.372 121.300 0.025 0.000 3.107 144 W HA 0.995 5.655 4.660 -0.000 0.000 0.331 144 W C -0.860 175.654 176.519 -0.009 0.000 1.204 144 W CA -1.874 55.487 57.345 0.027 0.000 1.184 144 W CB 0.885 30.370 29.460 0.040 0.000 1.421 144 W HN 1.417 nan 8.180 nan 0.000 0.544 145 A N 1.052 123.886 122.820 0.024 0.000 2.612 145 A HA 0.862 5.182 4.320 -0.000 0.000 0.293 145 A C -1.789 175.739 177.584 -0.094 0.000 1.075 145 A CA -0.453 51.523 52.037 -0.101 0.000 0.680 145 A CB 1.013 19.986 19.000 -0.046 0.000 1.279 145 A HN 1.696 nan 8.150 nan 0.000 0.411 146 A N 0.771 123.555 122.820 -0.060 0.000 2.303 146 A HA 0.657 4.977 4.320 -0.000 0.000 0.320 146 A C -0.503 177.148 177.584 0.112 0.000 1.192 146 A CA -0.432 51.649 52.037 0.073 0.000 0.821 146 A CB 0.634 19.802 19.000 0.280 0.000 1.188 146 A HN 1.371 nan 8.150 nan 0.000 0.492 147 V N 4.619 124.541 119.914 0.013 0.000 2.509 147 V HA 0.307 4.427 4.120 -0.000 0.000 0.284 147 V C -2.104 173.919 176.094 -0.117 0.000 1.047 147 V CA -1.560 60.706 62.300 -0.056 0.000 0.952 147 V CB 1.206 32.978 31.823 -0.085 0.000 0.988 147 V HN 0.775 nan 8.190 nan 0.000 0.469 148 P HA 0.131 nan 4.420 nan 0.000 0.269 148 P C -2.028 174.896 177.300 -0.628 0.000 1.209 148 P CA -1.335 61.426 63.100 -0.565 0.000 0.776 148 P CB 0.047 30.888 31.700 -1.432 0.000 0.876 149 P HA -0.129 nan 4.420 nan 0.000 0.221 149 P C 0.671 177.964 177.300 -0.011 0.000 1.145 149 P CA 1.436 64.462 63.100 -0.125 0.000 0.795 149 P CB -0.374 31.368 31.700 0.069 0.000 0.775 150 W N -0.215 121.126 121.300 0.068 0.000 3.256 150 W HA 0.362 5.022 4.660 0.000 0.000 0.269 150 W C 0.188 176.735 176.519 0.047 0.000 1.310 150 W CA -0.518 56.857 57.345 0.050 0.000 1.673 150 W CB -0.587 28.901 29.460 0.048 0.000 1.115 150 W HN -0.251 nan 8.180 nan 0.000 0.686 151 K N 1.394 121.683 120.400 -0.185 0.000 2.166 151 K HA 0.187 4.507 4.320 -0.000 0.000 0.245 151 K C 0.419 176.999 176.600 -0.033 0.000 0.967 151 K CA -1.003 55.235 56.287 -0.081 0.000 0.863 151 K CB 1.196 33.590 32.500 -0.177 0.000 1.107 151 K HN -0.230 nan 8.250 nan 0.000 0.436 152 Q N 0.878 120.686 119.800 0.013 0.000 2.315 152 Q HA 0.047 4.387 4.340 -0.000 0.000 0.289 152 Q C 0.363 176.373 176.000 0.016 0.000 1.044 152 Q CA 0.419 56.239 55.803 0.028 0.000 0.920 152 Q CB 1.069 29.833 28.738 0.044 0.000 1.214 152 Q HN 0.840 nan 8.270 nan 0.000 0.392 153 G N 0.563 109.383 108.800 0.032 0.000 2.531 153 G HA2 0.254 4.214 3.960 -0.000 0.000 0.281 153 G HA3 0.254 4.214 3.960 -0.000 0.000 0.281 153 G C 0.550 175.487 174.900 0.060 0.000 1.382 153 G CA 0.135 45.250 45.100 0.025 0.000 1.045 153 G HN 0.637 nan 8.290 nan 0.000 0.533 154 T N -1.940 112.654 114.554 0.067 0.000 3.054 154 T HA 0.244 4.594 4.350 -0.000 0.000 0.255 154 T C 1.049 175.847 174.700 0.162 0.000 1.035 154 T CA -0.176 61.976 62.100 0.088 0.000 0.941 154 T CB -0.152 68.749 68.868 0.056 0.000 1.026 154 T HN 0.141 nan 8.240 nan 0.000 0.533 155 L N 3.452 124.808 121.223 0.222 0.000 2.583 155 L HA 0.449 4.789 4.340 -0.000 0.000 0.239 155 L C 0.377 177.573 176.870 0.544 0.000 1.347 155 L CA -0.424 54.655 54.840 0.398 0.000 1.246 155 L CB -0.829 41.409 42.059 0.299 0.000 1.496 155 L HN 0.487 nan 8.230 nan 0.000 0.413 156 S N -2.866 113.074 115.700 0.399 0.000 2.661 156 S HA 0.187 4.657 4.470 -0.000 0.000 0.268 156 S C 0.423 174.986 174.600 -0.061 0.000 1.162 156 S CA -0.837 57.520 58.200 0.262 0.000 0.817 156 S CB 1.591 64.892 63.200 0.169 0.000 1.141 156 S HN 0.263 nan 8.310 nan 0.000 0.477 157 E N -0.602 119.487 120.200 -0.185 0.000 2.106 157 E HA 0.129 4.479 4.350 -0.000 0.000 0.192 157 E C -0.675 175.461 176.600 -0.773 0.000 0.984 157 E CA 1.039 57.119 56.400 -0.533 0.000 0.806 157 E CB 0.073 29.462 29.700 -0.518 0.000 0.750 157 E HN 0.518 nan 8.360 nan 0.000 0.458 158 F N -1.153 118.778 119.950 -0.031 0.000 2.599 158 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 158 F C -0.494 175.308 175.800 0.003 0.000 1.076 158 F CA -0.974 57.017 58.000 -0.016 0.000 0.937 158 F CB 1.918 40.907 39.000 -0.018 0.000 1.282 158 F HN -0.359 nan 8.300 nan 0.000 0.460 159 V N 2.511 122.546 119.914 0.202 0.000 2.808 159 V HA 0.657 4.777 4.120 -0.000 0.000 0.308 159 V C -1.558 174.589 176.094 0.088 0.000 1.099 159 V CA -0.744 61.625 62.300 0.116 0.000 0.920 159 V CB 2.297 34.163 31.823 0.072 0.000 1.014 159 V HN 0.532 nan 8.190 nan 0.000 0.425 160 V N 7.079 127.029 119.914 0.060 0.000 2.432 160 V HA 0.565 4.685 4.120 -0.000 0.000 0.275 160 V C 0.008 176.118 176.094 0.027 0.000 1.043 160 V CA 0.035 62.359 62.300 0.040 0.000 0.925 160 V CB 1.403 33.250 31.823 0.039 0.000 0.985 160 V HN 0.865 nan 8.190 nan 0.000 0.466 161 V N 2.100 122.019 119.914 0.008 0.000 3.001 161 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 161 V C -0.056 176.032 176.094 -0.009 0.000 1.099 161 V CA -0.733 61.560 62.300 -0.011 0.000 0.989 161 V CB 1.945 33.742 31.823 -0.043 0.000 1.040 161 V HN 0.682 nan 8.190 nan 0.000 0.434 162 S N 1.594 117.293 115.700 -0.001 0.000 2.580 162 S HA 0.477 4.947 4.470 -0.000 0.000 0.274 162 S C 1.505 176.092 174.600 -0.021 0.000 1.329 162 S CA 0.305 58.512 58.200 0.012 0.000 1.036 162 S CB 1.032 64.251 63.200 0.032 0.000 0.919 162 S HN 1.545 nan 8.310 nan 0.000 0.515 163 G N 3.401 112.206 108.800 0.007 0.000 2.469 163 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 163 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 163 G C 1.068 176.015 174.900 0.080 0.000 1.150 163 G CA 1.315 46.434 45.100 0.033 0.000 0.763 163 G HN 0.892 nan 8.290 nan 0.000 0.561 164 N N 0.572 119.316 118.700 0.073 0.000 2.550 164 N HA 0.037 4.777 4.740 -0.000 0.000 0.186 164 N C 1.568 177.095 175.510 0.028 0.000 1.110 164 N CA 1.201 54.294 53.050 0.072 0.000 0.912 164 N CB -0.151 38.371 38.487 0.060 0.000 0.968 164 N HN 0.508 nan 8.380 nan 0.000 0.448 165 E N -0.520 119.676 120.200 -0.007 0.000 2.415 165 E HA 0.130 4.480 4.350 -0.000 0.000 0.197 165 E C -0.262 176.297 176.600 -0.068 0.000 1.007 165 E CA -0.126 56.251 56.400 -0.038 0.000 0.890 165 E CB 0.751 30.430 29.700 -0.035 0.000 0.891 165 E HN 0.146 nan 8.360 nan 0.000 0.496 166 V N 0.333 120.186 119.914 -0.102 0.000 2.617 166 V HA 0.451 4.571 4.120 -0.000 0.000 0.298 166 V C -0.627 175.457 176.094 -0.016 0.000 1.048 166 V CA -0.234 61.953 62.300 -0.189 0.000 0.964 166 V CB 1.815 33.333 31.823 -0.509 0.000 1.004 166 V HN 0.050 nan 8.190 nan 0.000 0.466 167 S N 3.143 118.920 115.700 0.127 0.000 2.569 167 S HA 0.554 5.024 4.470 -0.000 0.000 0.280 167 S C -1.009 173.844 174.600 0.423 0.000 1.111 167 S CA -0.662 57.770 58.200 0.387 0.000 0.887 167 S CB 1.096 64.563 63.200 0.445 0.000 1.095 167 S HN 0.920 nan 8.310 nan 0.000 0.476 168 H N 2.728 122.071 119.070 0.455 0.000 2.929 168 H HA 0.248 4.804 4.556 -0.000 0.000 0.317 168 H C 0.577 175.869 175.328 -0.060 0.000 1.031 168 H CA 0.257 56.438 56.048 0.222 0.000 1.466 168 H CB 0.541 30.373 29.762 0.117 0.000 1.482 168 H HN 0.560 nan 8.280 nan 0.000 0.561 169 K N 4.074 124.367 120.400 -0.179 0.000 2.219 169 K HA 0.275 4.595 4.320 -0.000 0.000 0.258 169 K C -2.699 173.507 176.600 -0.658 0.000 1.008 169 K CA -1.875 53.880 56.287 -0.887 0.000 0.928 169 K CB 0.287 32.429 32.500 -0.598 0.000 0.983 169 K HN 0.246 nan 8.250 nan 0.000 0.484 170 P HA 0.014 nan 4.420 nan 0.000 0.264 170 P C -0.550 176.551 177.300 -0.330 0.000 1.193 170 P CA -0.105 62.708 63.100 -0.477 0.000 0.763 170 P CB 0.624 32.040 31.700 -0.473 0.000 0.810 171 K N 1.175 121.444 120.400 -0.218 0.000 2.288 171 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 171 K C 1.562 178.073 176.600 -0.148 0.000 1.048 171 K CA 1.461 57.646 56.287 -0.170 0.000 0.956 171 K CB -0.145 32.281 32.500 -0.123 0.000 0.746 171 K HN 0.497 nan 8.250 nan 0.000 0.461 172 S N 0.218 115.835 115.700 -0.138 0.000 2.593 172 S HA 0.132 4.602 4.470 -0.000 0.000 0.217 172 S C 0.509 175.048 174.600 -0.102 0.000 0.966 172 S CA -0.268 57.872 58.200 -0.100 0.000 0.914 172 S CB -0.129 63.026 63.200 -0.074 0.000 0.776 172 S HN 0.044 nan 8.310 nan 0.000 0.523 173 L N 2.281 123.417 121.223 -0.146 0.000 2.342 173 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 173 L C 0.651 177.427 176.870 -0.158 0.000 1.008 173 L CA -0.928 53.836 54.840 -0.128 0.000 0.818 173 L CB 2.037 44.013 42.059 -0.138 0.000 1.296 173 L HN 0.193 nan 8.230 nan 0.000 0.427 174 T N -3.449 111.046 114.554 -0.099 0.000 2.701 174 T HA 0.062 4.412 4.350 -0.000 0.000 0.303 174 T C 1.220 175.851 174.700 -0.115 0.000 1.030 174 T CA -0.273 61.768 62.100 -0.099 0.000 1.010 174 T CB 0.627 69.489 68.868 -0.010 0.000 1.007 174 T HN 0.465 nan 8.240 nan 0.000 0.532 175 H N 0.712 119.784 119.070 0.003 0.000 2.353 175 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 175 H C 2.491 177.865 175.328 0.076 0.000 1.090 175 H CA 2.114 58.182 56.048 0.034 0.000 1.327 175 H CB -0.811 28.984 29.762 0.054 0.000 1.383 175 H HN 0.741 nan 8.280 nan 0.000 0.508 176 T N 1.299 115.966 114.554 0.189 0.000 2.635 176 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 176 T C 2.122 176.893 174.700 0.119 0.000 1.040 176 T CA 1.657 63.841 62.100 0.139 0.000 1.156 176 T CB -0.233 68.696 68.868 0.102 0.000 0.863 176 T HN 0.457 nan 8.240 nan 0.000 0.430 177 Q N 0.539 120.391 119.800 0.087 0.000 2.020 177 Q HA 0.010 4.350 4.340 -0.000 0.000 0.202 177 Q C 2.794 178.869 176.000 0.125 0.000 0.982 177 Q CA 1.404 57.256 55.803 0.082 0.000 0.838 177 Q CB -0.376 28.386 28.738 0.041 0.000 0.899 177 Q HN 0.562 nan 8.270 nan 0.000 0.423 178 A N 1.123 124.009 122.820 0.111 0.000 1.940 178 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 178 A C 2.269 180.081 177.584 0.379 0.000 1.176 178 A CA 1.618 53.784 52.037 0.215 0.000 0.631 178 A CB -0.804 18.214 19.000 0.031 0.000 0.814 178 A HN 0.409 nan 8.150 nan 0.000 0.446 179 A N 0.244 123.223 122.820 0.266 0.000 2.067 179 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 179 A C 2.343 180.023 177.584 0.161 0.000 1.158 179 A CA 1.915 54.086 52.037 0.224 0.000 0.661 179 A CB -0.820 18.293 19.000 0.188 0.000 0.801 179 A HN 1.033 nan 8.150 nan 0.000 0.452 180 S N -0.961 114.834 115.700 0.158 0.000 2.481 180 S HA 0.071 4.541 4.470 -0.000 0.000 0.231 180 S C 1.551 176.207 174.600 0.093 0.000 0.996 180 S CA 1.164 59.432 58.200 0.113 0.000 0.942 180 S CB -0.298 62.969 63.200 0.112 0.000 0.768 180 S HN 0.458 nan 8.310 nan 0.000 0.520 181 L N 0.105 121.397 121.223 0.115 0.000 2.500 181 L HA 0.271 4.611 4.340 -0.000 0.000 0.219 181 L C -1.047 175.705 176.870 -0.197 0.000 1.057 181 L CA -0.257 54.596 54.840 0.022 0.000 0.854 181 L CB -0.433 41.751 42.059 0.208 0.000 1.078 181 L HN 0.149 nan 8.230 nan 0.000 0.480 182 P HA -0.208 nan 4.420 nan 0.000 0.215 182 P C 1.206 178.395 177.300 -0.186 0.000 1.157 182 P CA 1.411 64.256 63.100 -0.425 0.000 0.863 182 P CB 0.017 31.473 31.700 -0.406 0.000 0.787 183 Y N 0.786 120.979 120.300 -0.178 0.000 2.133 183 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 183 Y C 2.151 178.005 175.900 -0.077 0.000 1.134 183 Y CA 1.583 59.606 58.100 -0.128 0.000 1.133 183 Y CB -0.978 37.309 38.460 -0.288 0.000 0.987 183 Y HN -0.225 nan 8.280 nan 0.000 0.502 184 V N -1.212 118.687 119.914 -0.026 0.000 2.343 184 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 184 V C 2.315 178.205 176.094 -0.340 0.000 1.051 184 V CA 1.708 63.941 62.300 -0.112 0.000 1.036 184 V CB -1.852 29.951 31.823 -0.033 0.000 0.654 184 V HN 0.396 nan 8.190 nan 0.000 0.451 185 A N 0.691 123.134 122.820 -0.628 0.000 1.902 185 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 185 A C 2.272 179.528 177.584 -0.547 0.000 1.181 185 A CA 2.244 53.546 52.037 -1.225 0.000 0.623 185 A CB -0.714 17.568 19.000 -1.196 0.000 0.818 185 A HN 0.585 nan 8.150 nan 0.000 0.443 186 L N -0.900 120.117 121.223 -0.343 0.000 2.217 186 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 186 L C 2.698 179.500 176.870 -0.114 0.000 1.107 186 L CA 1.416 56.129 54.840 -0.212 0.000 0.783 186 L CB -0.537 41.361 42.059 -0.268 0.000 0.919 186 L HN 0.359 nan 8.230 nan 0.000 0.442 187 T N -0.143 114.343 114.554 -0.113 0.000 2.701 187 T HA -0.144 4.206 4.350 -0.000 0.000 0.263 187 T C 2.049 176.740 174.700 -0.015 0.000 1.040 187 T CA 1.314 63.368 62.100 -0.077 0.000 1.147 187 T CB -0.225 68.563 68.868 -0.133 0.000 0.865 187 T HN 0.420 nan 8.240 nan 0.000 0.426 188 A N 1.221 124.046 122.820 0.008 0.000 1.908 188 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 188 A C 2.185 179.884 177.584 0.192 0.000 1.181 188 A CA 1.374 53.486 52.037 0.125 0.000 0.627 188 A CB -1.140 18.032 19.000 0.288 0.000 0.818 188 A HN 0.721 nan 8.150 nan 0.000 0.445 189 W N 0.623 121.931 121.300 0.014 0.000 2.363 189 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 189 W C 2.625 179.158 176.519 0.022 0.000 1.212 189 W CA 1.883 59.262 57.345 0.058 0.000 1.260 189 W CB -0.281 29.190 29.460 0.019 0.000 1.131 189 W HN 0.448 nan 8.180 nan 0.000 0.530 190 S N 0.421 116.220 115.700 0.164 0.000 2.356 190 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 190 S C 2.082 176.696 174.600 0.023 0.000 1.032 190 S CA 1.946 60.184 58.200 0.065 0.000 1.005 190 S CB -0.583 62.621 63.200 0.007 0.000 0.867 190 S HN 0.207 nan 8.310 nan 0.000 0.449 191 A N 1.133 123.967 122.820 0.023 0.000 1.877 191 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 191 A C 2.153 179.796 177.584 0.098 0.000 1.186 191 A CA 1.640 53.702 52.037 0.042 0.000 0.620 191 A CB -0.690 18.328 19.000 0.032 0.000 0.822 191 A HN 0.634 nan 8.150 nan 0.000 0.443 192 I N -1.135 119.440 120.570 0.009 0.000 2.296 192 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 192 I C 2.491 178.476 176.117 -0.219 0.000 1.087 192 I CA 1.189 62.394 61.300 -0.157 0.000 1.393 192 I CB -0.281 37.602 38.000 -0.194 0.000 1.093 192 I HN 0.451 nan 8.210 nan 0.000 0.421 193 N N 0.700 119.241 118.700 -0.265 0.000 2.333 193 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 193 N C 1.800 177.199 175.510 -0.186 0.000 1.030 193 N CA 0.876 53.724 53.050 -0.337 0.000 0.867 193 N CB 0.329 38.373 38.487 -0.740 0.000 1.027 193 N HN 0.073 nan 8.380 nan 0.000 0.435 194 K N 0.835 121.168 120.400 -0.111 0.000 1.991 194 K HA 0.025 4.345 4.320 -0.000 0.000 0.207 194 K C 2.171 178.759 176.600 -0.021 0.000 1.045 194 K CA 0.782 57.050 56.287 -0.031 0.000 0.937 194 K CB -0.689 31.826 32.500 0.025 0.000 0.720 194 K HN 0.064 nan 8.250 nan 0.000 0.438 195 V N 0.597 120.510 119.914 -0.001 0.000 2.379 195 V HA -0.058 4.062 4.120 -0.000 0.000 0.243 195 V C 2.388 178.508 176.094 0.042 0.000 1.035 195 V CA 2.046 64.357 62.300 0.019 0.000 1.035 195 V CB -0.779 31.061 31.823 0.028 0.000 0.673 195 V HN 0.425 nan 8.190 nan 0.000 0.457 196 G N -0.794 108.059 108.800 0.088 0.000 2.484 196 G HA2 0.222 4.182 3.960 -0.000 0.000 0.218 196 G HA3 0.222 4.182 3.960 -0.000 0.000 0.218 196 G C 1.338 176.266 174.900 0.048 0.000 1.130 196 G CA 0.903 46.132 45.100 0.216 0.000 0.784 196 G HN 1.018 nan 8.290 nan 0.000 0.543 197 G N -0.853 107.913 108.800 -0.057 0.000 2.159 197 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.256 197 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.256 197 G C 0.307 175.110 174.900 -0.162 0.000 0.977 197 G CA 0.281 45.325 45.100 -0.094 0.000 0.652 197 G HN 0.479 nan 8.290 nan 0.000 0.531 198 L N 0.734 121.820 121.223 -0.228 0.000 2.334 198 L HA 0.623 4.963 4.340 -0.000 0.000 0.277 198 L C 0.444 177.054 176.870 -0.433 0.000 1.075 198 L CA -0.508 54.170 54.840 -0.271 0.000 0.804 198 L CB 1.321 43.203 42.059 -0.295 0.000 1.174 198 L HN 0.555 nan 8.230 nan 0.000 0.438 199 N N -0.853 117.465 118.700 -0.638 0.000 3.039 199 N HA 0.098 4.838 4.740 -0.000 0.000 0.257 199 N C 0.009 174.668 175.510 -1.418 0.000 1.497 199 N CA -0.732 51.554 53.050 -1.273 0.000 0.861 199 N CB 0.390 38.432 38.487 -0.741 0.000 1.479 199 N HN 0.567 nan 8.380 nan 0.000 0.547 200 D N -0.577 118.790 120.400 -1.721 0.000 2.311 200 D HA -0.192 4.448 4.640 -0.000 0.000 0.212 200 D C 0.476 176.502 176.300 -0.457 0.000 0.972 200 D CA 1.120 54.442 54.000 -1.129 0.000 0.887 200 D CB 0.164 40.594 40.800 -0.616 0.000 0.915 200 D HN 0.542 nan 8.370 nan 0.000 0.497 201 K N -0.016 120.149 120.400 -0.392 0.000 2.308 201 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 201 K C 1.110 177.616 176.600 -0.158 0.000 1.049 201 K CA 0.493 56.654 56.287 -0.210 0.000 0.991 201 K CB 0.210 32.607 32.500 -0.171 0.000 0.836 201 K HN 0.164 nan 8.250 nan 0.000 0.500 202 N N -0.743 117.841 118.700 -0.192 0.000 2.200 202 N HA 0.014 4.754 4.740 -0.000 0.000 0.224 202 N C 0.817 176.281 175.510 -0.076 0.000 1.179 202 N CA -0.162 52.817 53.050 -0.119 0.000 0.877 202 N CB -0.412 38.000 38.487 -0.124 0.000 1.072 202 N HN -0.090 nan 8.380 nan 0.000 0.519 203 C N 0.066 119.329 119.300 -0.062 0.000 2.780 203 C HA 0.251 4.711 4.460 -0.000 0.000 0.267 203 C C 0.417 175.437 174.990 0.050 0.000 1.266 203 C CA 0.036 59.065 59.018 0.018 0.000 1.709 203 C CB -1.218 26.589 27.740 0.111 0.000 1.975 203 C HN 0.368 nan 8.230 nan 0.000 0.582 204 T N 1.115 115.688 114.554 0.032 0.000 2.792 204 T HA 0.345 4.695 4.350 -0.000 0.000 0.286 204 T C 1.282 176.011 174.700 0.048 0.000 0.970 204 T CA 1.344 63.471 62.100 0.044 0.000 1.187 204 T CB -0.016 68.868 68.868 0.026 0.000 0.915 204 T HN 0.775 nan 8.240 nan 0.000 0.529 205 G N 2.711 111.552 108.800 0.068 0.000 2.153 205 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 205 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 205 G C 0.208 175.149 174.900 0.069 0.000 0.994 205 G CA -0.228 44.912 45.100 0.067 0.000 0.698 205 G HN 0.574 nan 8.290 nan 0.000 0.521 206 K N 0.204 120.656 120.400 0.086 0.000 2.237 206 K HA 0.404 4.724 4.320 -0.000 0.000 0.270 206 K C 0.827 177.521 176.600 0.156 0.000 1.015 206 K CA -0.353 55.996 56.287 0.104 0.000 0.949 206 K CB 0.701 33.261 32.500 0.100 0.000 0.976 206 K HN 0.392 nan 8.250 nan 0.000 0.472 207 R N 1.104 121.712 120.500 0.179 0.000 2.255 207 R HA 0.367 4.707 4.340 -0.000 0.000 0.326 207 R C -0.561 176.005 176.300 0.444 0.000 0.986 207 R CA -0.591 55.682 56.100 0.288 0.000 0.847 207 R CB 1.036 31.418 30.300 0.136 0.000 1.111 207 R HN 0.183 nan 8.270 nan 0.000 0.452 208 V N 4.783 124.950 119.914 0.422 0.000 2.540 208 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 208 V C -0.844 175.338 176.094 0.147 0.000 1.035 208 V CA -0.951 61.540 62.300 0.318 0.000 0.873 208 V CB 1.918 33.877 31.823 0.226 0.000 0.992 208 V HN 0.482 nan 8.190 nan 0.000 0.428 209 L N 6.372 127.518 121.223 -0.129 0.000 2.305 209 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 209 L C -0.647 176.090 176.870 -0.222 0.000 1.013 209 L CA 0.107 54.700 54.840 -0.412 0.000 0.819 209 L CB 1.193 42.654 42.059 -0.996 0.000 1.227 209 L HN 0.559 nan 8.230 nan 0.000 0.417 210 I N 6.521 127.005 120.570 -0.143 0.000 2.328 210 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 210 I C -0.650 175.402 176.117 -0.107 0.000 1.012 210 I CA -0.423 60.815 61.300 -0.104 0.000 1.195 210 I CB 1.053 39.025 38.000 -0.047 0.000 1.350 210 I HN 0.423 nan 8.210 nan 0.000 0.464 211 L N 6.752 127.890 121.223 -0.141 0.000 2.261 211 L HA 0.519 4.859 4.340 -0.000 0.000 0.289 211 L C 0.835 177.641 176.870 -0.107 0.000 1.059 211 L CA -0.312 54.461 54.840 -0.113 0.000 0.816 211 L CB 0.737 42.708 42.059 -0.147 0.000 1.191 211 L HN 0.962 nan 8.230 nan 0.000 0.431 212 G N 2.466 111.219 108.800 -0.080 0.000 2.526 212 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.225 212 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.225 212 G C 0.521 175.405 174.900 -0.026 0.000 1.120 212 G CA -0.082 44.977 45.100 -0.069 0.000 0.904 212 G HN 0.812 nan 8.290 nan 0.000 0.498 213 A N -0.132 122.689 122.820 0.000 0.000 2.169 213 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 213 A C 2.387 179.986 177.584 0.024 0.000 1.153 213 A CA 2.004 54.046 52.037 0.008 0.000 0.756 213 A CB -0.205 18.800 19.000 0.007 0.000 0.813 213 A HN 1.687 nan 8.150 nan 0.000 0.471 214 S N -0.913 114.810 115.700 0.039 0.000 2.524 214 S HA 0.329 4.799 4.470 -0.000 0.000 0.216 214 S C 1.187 175.813 174.600 0.044 0.000 0.987 214 S CA 0.276 58.505 58.200 0.048 0.000 0.909 214 S CB -0.248 62.995 63.200 0.072 0.000 0.781 214 S HN 0.552 nan 8.310 nan 0.000 0.521 215 G N 0.789 109.609 108.800 0.033 0.000 2.509 215 G HA2 0.495 4.455 3.960 -0.000 0.000 0.269 215 G HA3 0.495 4.455 3.960 -0.000 0.000 0.269 215 G C 1.015 175.939 174.900 0.040 0.000 1.416 215 G CA -0.318 44.798 45.100 0.028 0.000 1.052 215 G HN 0.281 nan 8.290 nan 0.000 0.542 216 G N -1.282 107.539 108.800 0.035 0.000 2.446 216 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 216 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 216 G C 1.620 176.565 174.900 0.076 0.000 1.168 216 G CA 1.488 46.620 45.100 0.052 0.000 0.771 216 G HN 0.409 nan 8.290 nan 0.000 0.551 217 V N 1.297 121.244 119.914 0.056 0.000 2.379 217 V HA 0.018 4.138 4.120 -0.000 0.000 0.245 217 V C 3.120 179.280 176.094 0.110 0.000 1.044 217 V CA 1.884 64.228 62.300 0.073 0.000 1.036 217 V CB -0.877 30.962 31.823 0.027 0.000 0.664 217 V HN 0.436 nan 8.190 nan 0.000 0.453 218 G N 0.476 109.312 108.800 0.061 0.000 2.418 218 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 218 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 218 G C 1.790 176.721 174.900 0.052 0.000 1.158 218 G CA 1.674 46.799 45.100 0.043 0.000 0.771 218 G HN 0.564 nan 8.290 nan 0.000 0.545 219 T N -1.616 112.980 114.554 0.070 0.000 2.867 219 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 219 T C 2.107 176.850 174.700 0.072 0.000 1.057 219 T CA 1.161 63.297 62.100 0.059 0.000 1.136 219 T CB -0.340 68.568 68.868 0.066 0.000 0.874 219 T HN 0.176 nan 8.240 nan 0.000 0.466 220 F N 2.556 122.501 119.950 -0.007 0.000 2.128 220 F HA 0.254 4.781 4.527 -0.000 0.000 0.295 220 F C 2.680 178.453 175.800 -0.045 0.000 1.100 220 F CA 0.861 58.855 58.000 -0.011 0.000 1.260 220 F CB -0.790 38.217 39.000 0.011 0.000 1.009 220 F HN 0.239 nan 8.300 nan 0.000 0.476 221 A N 0.938 123.802 122.820 0.073 0.000 1.917 221 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 221 A C 2.250 179.736 177.584 -0.164 0.000 1.182 221 A CA 2.195 54.208 52.037 -0.041 0.000 0.633 221 A CB -1.358 17.671 19.000 0.048 0.000 0.819 221 A HN 0.534 nan 8.150 nan 0.000 0.448 222 I N -0.562 119.936 120.570 -0.121 0.000 2.163 222 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 222 I C 2.865 178.862 176.117 -0.200 0.000 1.085 222 I CA 1.860 63.085 61.300 -0.126 0.000 1.347 222 I CB -0.427 37.524 38.000 -0.082 0.000 1.044 222 I HN 0.459 nan 8.210 nan 0.000 0.408 223 Q N -0.301 119.342 119.800 -0.262 0.000 2.079 223 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 223 Q C 2.450 178.185 176.000 -0.442 0.000 0.974 223 Q CA 1.438 57.057 55.803 -0.306 0.000 0.840 223 Q CB -0.331 28.226 28.738 -0.300 0.000 0.898 223 Q HN 0.416 nan 8.270 nan 0.000 0.430 224 V N 0.944 120.460 119.914 -0.664 0.000 2.407 224 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 224 V C 2.048 177.618 176.094 -0.872 0.000 1.055 224 V CA 1.440 63.217 62.300 -0.873 0.000 1.049 224 V CB -0.221 31.012 31.823 -0.983 0.000 0.662 224 V HN 0.393 nan 8.190 nan 0.000 0.455 225 M N -0.725 118.559 119.600 -0.526 0.000 2.117 225 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 225 M C 2.179 178.382 176.300 -0.162 0.000 1.065 225 M CA 1.638 56.771 55.300 -0.279 0.000 1.114 225 M CB -1.092 31.417 32.600 -0.152 0.000 1.361 225 M HN 0.269 nan 8.290 nan 0.000 0.408 226 K N 0.611 120.904 120.400 -0.177 0.000 2.097 226 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 226 K C 2.082 178.626 176.600 -0.093 0.000 1.050 226 K CA 1.394 57.617 56.287 -0.107 0.000 0.938 226 K CB -0.846 31.590 32.500 -0.108 0.000 0.718 226 K HN 0.337 nan 8.250 nan 0.000 0.442 227 A N 0.373 123.075 122.820 -0.196 0.000 1.978 227 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 227 A C 1.222 178.862 177.584 0.094 0.000 1.170 227 A CA 1.150 53.111 52.037 -0.126 0.000 0.636 227 A CB -0.608 18.229 19.000 -0.270 0.000 0.810 227 A HN 0.344 nan 8.150 nan 0.000 0.448 228 W N -1.026 120.242 121.300 -0.053 0.000 3.330 228 W HA 0.341 5.001 4.660 -0.000 0.000 0.348 228 W C 0.263 176.758 176.519 -0.040 0.000 1.205 228 W CA -0.110 57.203 57.345 -0.053 0.000 1.841 228 W CB -0.739 28.668 29.460 -0.089 0.000 1.084 228 W HN 0.565 nan 8.180 nan 0.000 0.665 229 D N -0.885 119.604 120.400 0.150 0.000 3.017 229 D HA -0.145 4.495 4.640 -0.000 0.000 0.220 229 D C 0.265 176.624 176.300 0.097 0.000 1.141 229 D CA 0.965 55.022 54.000 0.095 0.000 0.848 229 D CB -1.064 39.786 40.800 0.085 0.000 1.102 229 D HN 0.049 nan 8.370 nan 0.000 0.427 230 A N 0.384 123.263 122.820 0.100 0.000 2.332 230 A HA 0.435 4.755 4.320 -0.000 0.000 0.258 230 A C 0.206 177.863 177.584 0.122 0.000 1.087 230 A CA -0.221 51.883 52.037 0.111 0.000 0.802 230 A CB 0.520 19.577 19.000 0.095 0.000 1.042 230 A HN 0.417 nan 8.150 nan 0.000 0.489 231 H N 1.259 120.370 119.070 0.068 0.000 2.620 231 H HA 0.470 5.026 4.556 -0.000 0.000 0.313 231 H C -1.326 174.062 175.328 0.100 0.000 1.075 231 H CA -0.003 56.089 56.048 0.074 0.000 1.397 231 H CB 0.864 30.672 29.762 0.077 0.000 1.446 231 H HN 0.256 nan 8.280 nan 0.000 0.493 232 V N 5.754 125.582 119.914 -0.143 0.000 2.409 232 V HA 0.179 4.299 4.120 -0.000 0.000 0.291 232 V C 0.090 176.171 176.094 -0.022 0.000 1.020 232 V CA -0.652 61.636 62.300 -0.021 0.000 0.848 232 V CB 1.746 33.531 31.823 -0.064 0.000 0.990 232 V HN 0.834 nan 8.190 nan 0.000 0.430 233 T N 4.645 119.264 114.554 0.108 0.000 2.770 233 T HA 0.690 5.040 4.350 -0.000 0.000 0.283 233 T C 0.010 174.711 174.700 0.002 0.000 0.988 233 T CA -0.253 61.910 62.100 0.105 0.000 0.957 233 T CB 1.421 70.441 68.868 0.253 0.000 0.930 233 T HN 0.866 nan 8.240 nan 0.000 0.443 234 A N 3.314 126.137 122.820 0.005 0.000 2.318 234 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 234 A C -0.387 177.211 177.584 0.023 0.000 1.170 234 A CA -0.632 51.403 52.037 -0.002 0.000 0.810 234 A CB 0.799 19.799 19.000 -0.000 0.000 1.198 234 A HN 0.671 nan 8.150 nan 0.000 0.484 235 V N 2.469 122.399 119.914 0.027 0.000 2.370 235 V HA 0.576 4.696 4.120 -0.000 0.000 0.283 235 V C 0.179 176.356 176.094 0.138 0.000 1.023 235 V CA -0.119 62.234 62.300 0.088 0.000 0.857 235 V CB 0.207 32.082 31.823 0.087 0.000 0.985 235 V HN 1.441 nan 8.190 nan 0.000 0.443 236 C N 1.894 121.342 119.300 0.246 0.000 3.249 236 C HA 0.683 5.143 4.460 -0.000 0.000 0.350 236 C C 0.074 175.248 174.990 0.307 0.000 1.431 236 C CA -0.867 58.347 59.018 0.326 0.000 1.209 236 C CB 1.143 28.978 27.740 0.157 0.000 1.546 236 C HN 0.582 nan 8.230 nan 0.000 0.450 237 S N 0.934 116.764 115.700 0.216 0.000 2.572 237 S HA 0.154 4.624 4.470 -0.000 0.000 0.279 237 S C 1.051 175.619 174.600 -0.054 0.000 1.341 237 S CA 0.264 58.416 58.200 -0.079 0.000 1.043 237 S CB 1.223 64.421 63.200 -0.003 0.000 0.887 237 S HN 0.920 nan 8.310 nan 0.000 0.516 238 Q N 2.687 122.421 119.800 -0.110 0.000 2.082 238 Q HA -0.248 4.092 4.340 -0.000 0.000 0.211 238 Q C 1.541 177.520 176.000 -0.035 0.000 1.002 238 Q CA 2.599 58.363 55.803 -0.066 0.000 0.868 238 Q CB -0.451 28.239 28.738 -0.079 0.000 0.931 238 Q HN 0.883 nan 8.270 nan 0.000 0.414 239 D N -1.461 118.918 120.400 -0.035 0.000 2.312 239 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 239 D C 1.187 177.487 176.300 0.000 0.000 0.964 239 D CA 0.999 54.988 54.000 -0.020 0.000 0.877 239 D CB -0.116 40.668 40.800 -0.028 0.000 0.924 239 D HN 0.377 nan 8.370 nan 0.000 0.515 240 A N 0.940 123.770 122.820 0.016 0.000 2.208 240 A HA -0.019 4.301 4.320 -0.000 0.000 0.209 240 A C 2.274 179.871 177.584 0.022 0.000 1.161 240 A CA 0.886 52.942 52.037 0.031 0.000 0.782 240 A CB -0.319 18.717 19.000 0.060 0.000 0.816 240 A HN 0.264 nan 8.150 nan 0.000 0.477 241 S N 0.054 115.762 115.700 0.012 0.000 2.368 241 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 241 S C 1.972 176.575 174.600 0.004 0.000 1.030 241 S CA 1.939 60.145 58.200 0.009 0.000 0.999 241 S CB -0.263 62.938 63.200 0.002 0.000 0.844 241 S HN 0.585 nan 8.310 nan 0.000 0.459 242 E N 0.577 120.778 120.200 0.001 0.000 2.077 242 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 242 E C 2.054 178.654 176.600 -0.000 0.000 0.989 242 E CA 1.084 57.483 56.400 -0.001 0.000 0.800 242 E CB -0.907 28.791 29.700 -0.003 0.000 0.746 242 E HN 0.601 nan 8.360 nan 0.000 0.452 243 L N 1.033 122.258 121.223 0.004 0.000 2.012 243 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 243 L C 2.694 179.565 176.870 0.002 0.000 1.073 243 L CA 2.440 57.283 54.840 0.006 0.000 0.748 243 L CB -0.819 41.249 42.059 0.014 0.000 0.891 243 L HN 0.310 nan 8.230 nan 0.000 0.431 244 V N -2.525 117.392 119.914 0.005 0.000 2.427 244 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 244 V C 2.584 178.670 176.094 -0.014 0.000 1.051 244 V CA 1.637 63.936 62.300 -0.002 0.000 1.048 244 V CB -0.931 30.896 31.823 0.007 0.000 0.666 244 V HN 0.482 nan 8.190 nan 0.000 0.456 245 R N 1.144 121.637 120.500 -0.011 0.000 2.073 245 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 245 R C 2.723 179.010 176.300 -0.021 0.000 1.134 245 R CA 2.272 58.362 56.100 -0.018 0.000 0.952 245 R CB -0.664 29.629 30.300 -0.012 0.000 0.850 245 R HN 0.657 nan 8.270 nan 0.000 0.433 246 K N 1.180 121.571 120.400 -0.016 0.000 2.209 246 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 246 K C 1.920 178.506 176.600 -0.023 0.000 1.048 246 K CA 1.318 57.595 56.287 -0.016 0.000 0.940 246 K CB -0.776 31.718 32.500 -0.010 0.000 0.729 246 K HN 0.189 nan 8.250 nan 0.000 0.451 247 L N -1.390 119.818 121.223 -0.026 0.000 2.478 247 L HA 0.190 4.530 4.340 -0.000 0.000 0.223 247 L C 1.797 178.633 176.870 -0.057 0.000 1.140 247 L CA 0.721 55.538 54.840 -0.039 0.000 0.842 247 L CB 0.257 42.295 42.059 -0.035 0.000 0.953 247 L HN 0.624 nan 8.230 nan 0.000 0.452 248 G N -0.704 108.064 108.800 -0.053 0.000 2.205 248 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.180 248 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.180 248 G C 0.315 175.168 174.900 -0.079 0.000 1.004 248 G CA -0.261 44.800 45.100 -0.065 0.000 0.670 248 G HN 0.364 nan 8.290 nan 0.000 0.496 249 A N 0.617 123.396 122.820 -0.068 0.000 2.524 249 A HA 0.506 4.826 4.320 -0.000 0.000 0.250 249 A C 1.205 178.730 177.584 -0.098 0.000 1.078 249 A CA 0.928 52.919 52.037 -0.078 0.000 0.761 249 A CB 0.239 19.212 19.000 -0.045 0.000 1.012 249 A HN 0.257 nan 8.150 nan 0.000 0.500 250 D N 0.979 121.270 120.400 -0.181 0.000 2.137 250 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 250 D C -0.349 175.901 176.300 -0.083 0.000 0.970 250 D CA 1.201 55.069 54.000 -0.219 0.000 0.837 250 D CB 0.256 40.671 40.800 -0.642 0.000 0.981 250 D HN 0.598 nan 8.370 nan 0.000 0.475 251 D N 0.111 120.490 120.400 -0.035 0.000 2.619 251 D HA 0.373 5.013 4.640 -0.000 0.000 0.241 251 D C -0.593 175.729 176.300 0.037 0.000 1.087 251 D CA -0.484 53.548 54.000 0.052 0.000 0.851 251 D CB 3.261 44.152 40.800 0.151 0.000 1.474 251 D HN -0.274 nan 8.370 nan 0.000 0.478 252 V N 2.345 122.281 119.914 0.036 0.000 2.577 252 V HA 0.462 4.582 4.120 -0.000 0.000 0.303 252 V C -0.110 176.006 176.094 0.036 0.000 1.042 252 V CA -0.692 61.626 62.300 0.031 0.000 0.872 252 V CB 1.897 33.731 31.823 0.019 0.000 0.998 252 V HN 0.406 nan 8.190 nan 0.000 0.423 253 I N 3.206 123.802 120.570 0.044 0.000 2.389 253 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 253 I C -0.468 175.683 176.117 0.057 0.000 0.999 253 I CA -0.508 60.816 61.300 0.041 0.000 1.129 253 I CB 1.876 39.899 38.000 0.038 0.000 1.288 253 I HN 0.576 nan 8.210 nan 0.000 0.444 254 D N 5.926 126.337 120.400 0.018 0.000 2.346 254 D HA -0.040 4.600 4.640 -0.000 0.000 0.260 254 D C 0.797 177.085 176.300 -0.020 0.000 1.252 254 D CA 0.021 54.004 54.000 -0.027 0.000 0.895 254 D CB 0.571 41.329 40.800 -0.071 0.000 1.097 254 D HN 0.455 nan 8.370 nan 0.000 0.489 255 Y N 2.502 122.800 120.300 -0.003 0.000 2.574 255 Y HA 0.102 4.652 4.550 -0.000 0.000 0.294 255 Y C 1.162 177.049 175.900 -0.021 0.000 1.142 255 Y CA 0.612 58.706 58.100 -0.011 0.000 1.314 255 Y CB -0.133 38.346 38.460 0.032 0.000 0.991 255 Y HN 0.208 nan 8.280 nan 0.000 0.555 256 K N 0.646 120.836 120.400 -0.350 0.000 2.417 256 K HA 0.081 4.401 4.320 -0.000 0.000 0.196 256 K C 1.792 178.316 176.600 -0.127 0.000 1.023 256 K CA 0.594 56.735 56.287 -0.243 0.000 1.122 256 K CB 0.138 32.421 32.500 -0.362 0.000 0.850 256 K HN 0.465 nan 8.250 nan 0.000 0.521 257 S N -0.172 115.470 115.700 -0.097 0.000 2.489 257 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 257 S C 1.643 176.211 174.600 -0.053 0.000 0.995 257 S CA 0.561 58.721 58.200 -0.068 0.000 0.934 257 S CB -0.181 62.987 63.200 -0.054 0.000 0.771 257 S HN 0.401 nan 8.310 nan 0.000 0.522 258 G N 0.111 108.878 108.800 -0.054 0.000 2.148 258 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.254 258 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.254 258 G C 0.587 175.453 174.900 -0.057 0.000 0.981 258 G CA 0.473 45.542 45.100 -0.052 0.000 0.670 258 G HN 1.396 nan 8.290 nan 0.000 0.528 259 S N -0.871 114.792 115.700 -0.060 0.000 2.730 259 S HA 0.626 5.096 4.470 -0.000 0.000 0.244 259 S C 1.858 176.410 174.600 -0.080 0.000 1.022 259 S CA 1.152 59.318 58.200 -0.056 0.000 1.014 259 S CB 0.457 63.636 63.200 -0.035 0.000 0.963 259 S HN 0.765 nan 8.310 nan 0.000 0.540 260 V N 1.651 121.491 119.914 -0.124 0.000 2.250 260 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 260 V C 2.680 178.643 176.094 -0.218 0.000 1.060 260 V CA 2.523 64.716 62.300 -0.179 0.000 1.030 260 V CB -0.779 30.876 31.823 -0.281 0.000 0.643 260 V HN 0.664 nan 8.190 nan 0.000 0.445 261 E N -0.808 119.259 120.200 -0.222 0.000 2.106 261 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 261 E C 2.491 179.109 176.600 0.031 0.000 0.984 261 E CA 1.172 57.525 56.400 -0.080 0.000 0.806 261 E CB -0.710 28.990 29.700 -0.000 0.000 0.750 261 E HN 0.969 nan 8.360 nan 0.000 0.458 262 E N 0.604 120.806 120.200 0.003 0.000 2.204 262 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 262 E C 1.850 178.460 176.600 0.017 0.000 0.989 262 E CA 1.455 57.874 56.400 0.032 0.000 0.824 262 E CB -0.607 29.101 29.700 0.014 0.000 0.756 262 E HN 0.552 nan 8.360 nan 0.000 0.477 263 Q N -0.743 119.043 119.800 -0.025 0.000 2.062 263 Q HA 0.134 4.474 4.340 -0.000 0.000 0.196 263 Q C 2.495 178.481 176.000 -0.023 0.000 0.967 263 Q CA 1.060 56.852 55.803 -0.019 0.000 0.832 263 Q CB -0.035 28.686 28.738 -0.028 0.000 0.899 263 Q HN 0.535 nan 8.270 nan 0.000 0.442 264 L N 0.676 121.826 121.223 -0.120 0.000 2.083 264 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 264 L C 2.252 179.102 176.870 -0.033 0.000 1.083 264 L CA 1.122 55.827 54.840 -0.224 0.000 0.752 264 L CB -0.305 41.231 42.059 -0.873 0.000 0.899 264 L HN 0.132 nan 8.230 nan 0.000 0.433 265 K N -0.121 120.358 120.400 0.132 0.000 2.209 265 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 265 K C 2.189 178.873 176.600 0.140 0.000 1.048 265 K CA 1.621 58.078 56.287 0.283 0.000 0.940 265 K CB -0.095 32.559 32.500 0.257 0.000 0.729 265 K HN 0.376 nan 8.250 nan 0.000 0.451 266 S N 0.075 115.822 115.700 0.078 0.000 2.562 266 S HA 0.083 4.553 4.470 -0.000 0.000 0.221 266 S C 0.777 175.393 174.600 0.027 0.000 0.975 266 S CA -0.190 58.038 58.200 0.047 0.000 0.918 266 S CB -0.093 63.127 63.200 0.033 0.000 0.772 266 S HN 0.041 nan 8.310 nan 0.000 0.531 267 L N 1.191 122.429 121.223 0.026 0.000 2.375 267 L HA 0.492 4.832 4.340 -0.000 0.000 0.268 267 L C 0.346 177.156 176.870 -0.100 0.000 1.058 267 L CA -1.114 53.708 54.840 -0.031 0.000 0.803 267 L CB 0.959 43.021 42.059 0.005 0.000 1.212 267 L HN 0.001 nan 8.230 nan 0.000 0.451 268 K N 1.461 121.745 120.400 -0.194 0.000 2.276 268 K HA 0.181 4.501 4.320 -0.000 0.000 0.259 268 K C -2.207 174.129 176.600 -0.441 0.000 1.001 268 K CA -1.227 54.919 56.287 -0.234 0.000 0.927 268 K CB 0.180 32.545 32.500 -0.225 0.000 0.969 268 K HN 0.315 nan 8.250 nan 0.000 0.490 269 P HA 0.081 nan 4.420 nan 0.000 0.274 269 P C -0.845 176.192 177.300 -0.439 0.000 1.256 269 P CA -0.007 62.931 63.100 -0.271 0.000 0.795 269 P CB 0.417 32.101 31.700 -0.027 0.000 1.038 270 F N -0.672 119.352 119.950 0.123 0.000 2.470 270 F HA 0.267 4.794 4.527 -0.000 0.000 0.329 270 F C 1.625 177.489 175.800 0.107 0.000 1.072 270 F CA -0.122 57.947 58.000 0.116 0.000 0.989 270 F CB 0.812 39.890 39.000 0.131 0.000 1.193 270 F HN 0.205 nan 8.300 nan 0.000 0.481 271 D N 0.677 121.264 120.400 0.312 0.000 2.327 271 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 271 D C -0.527 175.965 176.300 0.321 0.000 0.989 271 D CA 1.174 55.322 54.000 0.247 0.000 0.873 271 D CB 0.622 41.544 40.800 0.202 0.000 0.955 271 D HN 0.248 nan 8.370 nan 0.000 0.515 272 F N 0.879 120.924 119.950 0.157 0.000 2.604 272 F HA 0.397 4.924 4.527 -0.000 0.000 0.316 272 F C -1.796 174.007 175.800 0.005 0.000 1.136 272 F CA -0.844 57.200 58.000 0.072 0.000 0.989 272 F CB 1.545 40.572 39.000 0.045 0.000 1.258 272 F HN -0.350 nan 8.300 nan 0.000 0.451 273 I N 6.750 126.901 120.570 -0.698 0.000 2.436 273 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 273 I C -1.449 174.068 176.117 -0.999 0.000 1.010 273 I CA -1.077 59.827 61.300 -0.660 0.000 1.098 273 I CB 1.922 39.606 38.000 -0.526 0.000 1.266 273 I HN 0.416 nan 8.210 nan 0.000 0.434 274 L N 6.581 127.478 121.223 -0.543 0.000 2.265 274 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 274 L C -0.596 176.033 176.870 -0.403 0.000 1.033 274 L CA 0.099 54.709 54.840 -0.384 0.000 0.814 274 L CB 0.877 42.927 42.059 -0.015 0.000 1.203 274 L HN 0.419 nan 8.230 nan 0.000 0.423 275 D N 3.211 123.312 120.400 -0.498 0.000 2.412 275 D HA 0.223 4.863 4.640 -0.000 0.000 0.224 275 D C -0.042 176.113 176.300 -0.243 0.000 1.093 275 D CA 0.059 53.827 54.000 -0.387 0.000 0.850 275 D CB 0.771 41.310 40.800 -0.436 0.000 1.046 275 D HN 0.595 nan 8.370 nan 0.000 0.507 276 N N 2.217 120.808 118.700 -0.182 0.000 2.238 276 N HA 0.122 4.862 4.740 -0.000 0.000 0.222 276 N C 0.747 176.181 175.510 -0.127 0.000 1.133 276 N CA -0.052 52.915 53.050 -0.138 0.000 0.854 276 N CB 0.957 39.383 38.487 -0.102 0.000 1.041 276 N HN 0.175 nan 8.380 nan 0.000 0.510 277 V N -1.244 118.590 119.914 -0.132 0.000 2.996 277 V HA 0.460 4.580 4.120 -0.000 0.000 0.235 277 V C 1.170 177.207 176.094 -0.095 0.000 1.205 277 V CA 0.709 62.936 62.300 -0.121 0.000 1.225 277 V CB -0.139 31.602 31.823 -0.138 0.000 0.995 277 V HN 0.354 nan 8.190 nan 0.000 0.484 278 G N -0.334 108.416 108.800 -0.083 0.000 2.693 278 G HA2 0.297 4.257 3.960 -0.000 0.000 0.226 278 G HA3 0.297 4.257 3.960 -0.000 0.000 0.226 278 G C 0.674 175.561 174.900 -0.021 0.000 1.354 278 G CA -0.235 44.835 45.100 -0.050 0.000 0.873 278 G HN 1.748 nan 8.290 nan 0.000 0.562 279 G N -1.337 107.464 108.800 0.002 0.000 2.556 279 G HA2 0.036 3.996 3.960 -0.000 0.000 0.283 279 G HA3 0.036 3.996 3.960 -0.000 0.000 0.283 279 G C 1.876 176.797 174.900 0.035 0.000 1.177 279 G CA 2.581 47.696 45.100 0.026 0.000 0.978 279 G HN 2.591 nan 8.290 nan 0.000 0.554 280 S N 0.264 116.007 115.700 0.071 0.000 2.500 280 S HA -0.067 4.403 4.470 -0.000 0.000 0.239 280 S C 2.396 177.023 174.600 0.045 0.000 0.989 280 S CA 2.585 60.855 58.200 0.116 0.000 0.951 280 S CB -1.022 62.302 63.200 0.207 0.000 0.759 280 S HN 2.058 nan 8.310 nan 0.000 0.523 281 T N 1.102 115.615 114.554 -0.069 0.000 2.737 281 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 281 T C 1.510 175.816 174.700 -0.658 0.000 1.040 281 T CA 1.547 63.349 62.100 -0.496 0.000 1.142 281 T CB -0.747 67.946 68.868 -0.291 0.000 0.861 281 T HN 0.612 nan 8.240 nan 0.000 0.456 282 E N 1.127 121.167 120.200 -0.267 0.000 2.409 282 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 282 E C 2.397 178.871 176.600 -0.210 0.000 1.024 282 E CA 1.327 57.576 56.400 -0.252 0.000 0.861 282 E CB -0.306 29.338 29.700 -0.094 0.000 0.788 282 E HN 0.874 nan 8.360 nan 0.000 0.521 283 T N -1.581 112.890 114.554 -0.138 0.000 3.067 283 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 283 T C 1.522 176.291 174.700 0.115 0.000 1.110 283 T CA 0.419 62.530 62.100 0.018 0.000 1.113 283 T CB -0.240 68.702 68.868 0.122 0.000 0.917 283 T HN 0.518 nan 8.240 nan 0.000 0.499 284 W N -0.358 120.993 121.300 0.085 0.000 3.336 284 W HA 0.604 5.264 4.660 -0.000 0.000 0.221 284 W C 1.867 178.533 176.519 0.245 0.000 1.086 284 W CA 0.103 57.531 57.345 0.139 0.000 1.457 284 W CB -0.294 29.282 29.460 0.194 0.000 0.756 284 W HN 0.215 nan 8.180 nan 0.000 0.783 285 A N 2.778 125.348 122.820 -0.417 0.000 1.902 285 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 285 A C -0.146 177.557 177.584 0.198 0.000 1.181 285 A CA 1.980 53.951 52.037 -0.111 0.000 0.623 285 A CB -1.944 16.768 19.000 -0.480 0.000 0.818 285 A HN 0.133 nan 8.150 nan 0.000 0.443 286 P HA -0.114 nan 4.420 nan 0.000 0.219 286 P C 0.358 177.645 177.300 -0.022 0.000 1.146 286 P CA 1.205 64.241 63.100 -0.106 0.000 0.808 286 P CB -0.138 31.338 31.700 -0.373 0.000 0.779 287 D N -1.666 118.683 120.400 -0.085 0.000 2.351 287 D HA -0.096 4.544 4.640 -0.000 0.000 0.216 287 D C 0.936 177.027 176.300 -0.348 0.000 0.968 287 D CA 0.997 54.838 54.000 -0.265 0.000 0.899 287 D CB -0.367 40.172 40.800 -0.435 0.000 0.907 287 D HN 0.284 nan 8.370 nan 0.000 0.514 288 F N 0.150 120.208 119.950 0.179 0.000 2.695 288 F HA 0.223 4.750 4.527 -0.000 0.000 0.303 288 F C 1.016 176.988 175.800 0.286 0.000 1.091 288 F CA -0.254 57.906 58.000 0.266 0.000 1.300 288 F CB 0.098 39.354 39.000 0.426 0.000 1.071 288 F HN -0.238 nan 8.300 nan 0.000 0.578 289 L N 0.888 122.284 121.223 0.288 0.000 2.397 289 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 289 L C 0.770 177.687 176.870 0.078 0.000 1.148 289 L CA -0.447 54.516 54.840 0.204 0.000 0.825 289 L CB 0.642 42.772 42.059 0.118 0.000 1.117 289 L HN -0.077 nan 8.230 nan 0.000 0.456 290 K N 3.465 123.906 120.400 0.069 0.000 2.491 290 K HA 0.012 4.332 4.320 -0.000 0.000 0.279 290 K C -0.394 176.161 176.600 -0.074 0.000 1.026 290 K CA 0.214 56.506 56.287 0.008 0.000 1.070 290 K CB 0.392 32.911 32.500 0.031 0.000 0.887 290 K HN 0.414 nan 8.250 nan 0.000 0.481 291 K N 3.495 123.816 120.400 -0.131 0.000 2.174 291 K HA 0.028 4.348 4.320 -0.000 0.000 0.275 291 K C -0.501 175.961 176.600 -0.230 0.000 1.015 291 K CA -0.209 55.849 56.287 -0.382 0.000 0.933 291 K CB 0.583 32.794 32.500 -0.482 0.000 1.025 291 K HN 0.719 nan 8.250 nan 0.000 0.463 292 W N 0.711 121.956 121.300 -0.091 0.000 4.435 292 W HA -0.251 4.409 4.660 -0.000 0.000 0.351 292 W C 0.657 177.141 176.519 -0.059 0.000 1.319 292 W CA 0.479 57.761 57.345 -0.105 0.000 0.791 292 W CB -2.240 27.162 29.460 -0.097 0.000 2.419 292 W HN 0.644 nan 8.180 nan 0.000 1.406 293 S N -1.582 114.168 115.700 0.083 0.000 2.819 293 S HA 0.540 5.010 4.470 -0.000 0.000 0.249 293 S C 1.179 175.832 174.600 0.088 0.000 1.030 293 S CA 0.493 58.743 58.200 0.084 0.000 1.052 293 S CB 0.923 64.163 63.200 0.066 0.000 1.017 293 S HN 1.423 nan 8.310 nan 0.000 0.576 294 G N 1.088 109.937 108.800 0.083 0.000 2.143 294 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.249 294 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.249 294 G C 0.358 175.393 174.900 0.225 0.000 0.981 294 G CA -0.104 45.114 45.100 0.196 0.000 0.665 294 G HN 1.379 nan 8.290 nan 0.000 0.528 295 A N -0.316 122.568 122.820 0.106 0.000 2.407 295 A HA 0.726 5.046 4.320 -0.000 0.000 0.248 295 A C 0.597 178.275 177.584 0.158 0.000 1.082 295 A CA 1.221 53.338 52.037 0.133 0.000 0.785 295 A CB 0.592 19.637 19.000 0.076 0.000 1.020 295 A HN 0.874 nan 8.150 nan 0.000 0.489 296 T N 1.080 115.734 114.554 0.166 0.000 2.886 296 T HA 0.456 4.806 4.350 -0.000 0.000 0.292 296 T C -1.433 173.177 174.700 -0.149 0.000 1.012 296 T CA -0.042 62.129 62.100 0.117 0.000 0.982 296 T CB 0.992 69.993 68.868 0.222 0.000 1.018 296 T HN 0.484 nan 8.240 nan 0.000 0.451 297 Y N 2.860 123.009 120.300 -0.251 0.000 2.334 297 Y HA 0.612 5.162 4.550 -0.000 0.000 0.336 297 Y C -1.061 174.587 175.900 -0.420 0.000 0.960 297 Y CA -0.646 57.230 58.100 -0.374 0.000 1.164 297 Y CB 0.798 39.115 38.460 -0.239 0.000 1.155 297 Y HN 0.403 nan 8.280 nan 0.000 0.478 298 V N 5.684 125.190 119.914 -0.680 0.000 2.409 298 V HA 0.353 4.473 4.120 -0.000 0.000 0.291 298 V C -0.149 175.666 176.094 -0.465 0.000 1.020 298 V CA -0.661 61.382 62.300 -0.430 0.000 0.848 298 V CB 1.712 33.391 31.823 -0.241 0.000 0.990 298 V HN 0.795 nan 8.190 nan 0.000 0.430 299 T N 5.059 119.426 114.554 -0.312 0.000 2.797 299 T HA 0.548 4.898 4.350 -0.000 0.000 0.279 299 T C 0.630 175.134 174.700 -0.326 0.000 0.991 299 T CA -0.402 61.533 62.100 -0.276 0.000 0.979 299 T CB 0.957 69.756 68.868 -0.114 0.000 0.943 299 T HN 0.511 nan 8.240 nan 0.000 0.444 300 L N 4.275 125.319 121.223 -0.299 0.000 2.592 300 L HA 0.313 4.653 4.340 -0.000 0.000 0.227 300 L C 0.005 176.679 176.870 -0.327 0.000 1.127 300 L CA 0.007 54.652 54.840 -0.325 0.000 0.884 300 L CB 0.571 42.508 42.059 -0.203 0.000 1.065 300 L HN 0.401 nan 8.230 nan 0.000 0.457 301 V N 0.162 119.893 119.914 -0.305 0.000 2.334 301 V HA 0.409 4.529 4.120 -0.000 0.000 0.281 301 V C 0.095 175.982 176.094 -0.346 0.000 1.016 301 V CA -0.336 61.818 62.300 -0.243 0.000 0.832 301 V CB 1.160 32.889 31.823 -0.157 0.000 0.999 301 V HN 0.302 nan 8.190 nan 0.000 0.439 302 T N 2.348 116.676 114.554 -0.376 0.000 2.883 302 T HA 0.586 4.936 4.350 -0.000 0.000 0.301 302 T C -2.505 172.070 174.700 -0.210 0.000 1.158 302 T CA -1.464 60.262 62.100 -0.624 0.000 1.007 302 T CB 2.581 70.633 68.868 -1.360 0.000 1.186 302 T HN 0.397 nan 8.240 nan 0.000 0.499 303 P HA 0.219 nan 4.420 nan 0.000 0.256 303 P C 1.044 178.451 177.300 0.178 0.000 1.384 303 P CA -0.425 62.731 63.100 0.094 0.000 0.879 303 P CB -0.274 31.506 31.700 0.133 0.000 1.403 304 F N 1.787 121.787 119.950 0.084 0.000 2.043 304 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 304 F C 1.919 177.765 175.800 0.077 0.000 1.118 304 F CA 1.875 59.984 58.000 0.181 0.000 1.202 304 F CB -0.568 38.584 39.000 0.252 0.000 0.965 304 F HN -0.207 nan 8.300 nan 0.000 0.482 305 L N -0.999 120.284 121.223 0.101 0.000 2.209 305 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 305 L C 2.260 179.030 176.870 -0.166 0.000 1.094 305 L CA 0.339 55.081 54.840 -0.163 0.000 0.790 305 L CB -0.622 41.224 42.059 -0.356 0.000 0.932 305 L HN 0.242 nan 8.230 nan 0.000 0.447 306 L N 0.392 121.635 121.223 0.033 0.000 2.083 306 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 306 L C 2.206 179.085 176.870 0.014 0.000 1.083 306 L CA 1.684 56.578 54.840 0.090 0.000 0.752 306 L CB -0.737 41.440 42.059 0.197 0.000 0.899 306 L HN 0.213 nan 8.230 nan 0.000 0.433 307 N N -0.614 118.085 118.700 -0.001 0.000 2.104 307 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 307 N C 1.820 177.287 175.510 -0.071 0.000 1.024 307 N CA 2.005 55.043 53.050 -0.020 0.000 0.853 307 N CB -0.294 38.193 38.487 -0.001 0.000 1.008 307 N HN 0.428 nan 8.380 nan 0.000 0.424 308 M N 0.268 119.782 119.600 -0.143 0.000 2.156 308 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 308 M C 1.155 177.390 176.300 -0.108 0.000 1.067 308 M CA 1.049 56.258 55.300 -0.151 0.000 1.131 308 M CB -0.214 32.248 32.600 -0.231 0.000 1.368 308 M HN -0.029 nan 8.290 nan 0.000 0.416 309 D N 0.316 120.652 120.400 -0.107 0.000 2.106 309 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 309 D C 2.026 178.303 176.300 -0.037 0.000 0.997 309 D CA 1.401 55.357 54.000 -0.074 0.000 0.834 309 D CB -0.339 40.428 40.800 -0.056 0.000 0.956 309 D HN 0.291 nan 8.370 nan 0.000 0.448 310 R N -0.320 120.167 120.500 -0.023 0.000 2.073 310 R HA 0.082 4.422 4.340 -0.000 0.000 0.229 310 R C 2.003 178.296 176.300 -0.012 0.000 1.120 310 R CA 0.642 56.738 56.100 -0.006 0.000 0.967 310 R CB 0.036 30.341 30.300 0.008 0.000 0.862 310 R HN 0.199 nan 8.270 nan 0.000 0.436 311 L N -0.684 120.524 121.223 -0.024 0.000 2.693 311 L HA 0.310 4.650 4.340 -0.000 0.000 0.235 311 L C 0.629 177.479 176.870 -0.035 0.000 1.127 311 L CA 0.083 54.909 54.840 -0.023 0.000 0.914 311 L CB 0.882 42.929 42.059 -0.020 0.000 1.193 311 L HN 0.366 nan 8.230 nan 0.000 0.502 312 G N 0.304 109.076 108.800 -0.047 0.000 2.795 312 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.664 312 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.664 312 G C 0.408 175.260 174.900 -0.079 0.000 1.381 312 G CA -0.440 44.624 45.100 -0.059 0.000 0.853 312 G HN -0.153 nan 8.290 nan 0.000 0.545 313 I N 0.765 121.283 120.570 -0.087 0.000 2.099 313 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 313 I C 3.335 179.398 176.117 -0.091 0.000 1.066 313 I CA 2.908 64.145 61.300 -0.104 0.000 1.324 313 I CB -1.970 35.972 38.000 -0.097 0.000 1.037 313 I HN 0.945 nan 8.210 nan 0.000 0.401 314 A N 0.720 123.499 122.820 -0.069 0.000 1.845 314 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 314 A C 2.004 179.561 177.584 -0.045 0.000 1.195 314 A CA 2.072 54.077 52.037 -0.053 0.000 0.616 314 A CB -0.751 18.223 19.000 -0.044 0.000 0.832 314 A HN 0.409 nan 8.150 nan 0.000 0.443 315 D N -0.536 119.839 120.400 -0.041 0.000 2.224 315 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 315 D C 2.015 178.296 176.300 -0.031 0.000 0.965 315 D CA 1.164 55.146 54.000 -0.029 0.000 0.852 315 D CB -0.617 40.170 40.800 -0.022 0.000 0.947 315 D HN 0.448 nan 8.370 nan 0.000 0.494 316 G N 1.049 109.817 108.800 -0.053 0.000 2.433 316 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 316 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 316 G C 1.548 176.404 174.900 -0.073 0.000 1.186 316 G CA 0.521 45.578 45.100 -0.070 0.000 0.779 316 G HN 0.114 nan 8.290 nan 0.000 0.543 317 M N 0.016 119.561 119.600 -0.091 0.000 2.229 317 M HA 0.061 4.541 4.480 -0.000 0.000 0.264 317 M C 2.471 178.766 176.300 -0.009 0.000 1.063 317 M CA 0.697 55.959 55.300 -0.063 0.000 1.114 317 M CB -1.037 31.526 32.600 -0.062 0.000 1.387 317 M HN 0.299 nan 8.290 nan 0.000 0.420 318 L N 0.795 122.011 121.223 -0.013 0.000 2.017 318 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 318 L C 2.524 179.403 176.870 0.016 0.000 1.073 318 L CA 2.025 56.865 54.840 0.001 0.000 0.745 318 L CB -0.955 41.100 42.059 -0.006 0.000 0.894 318 L HN 0.248 nan 8.230 nan 0.000 0.432 319 Q N -0.667 119.145 119.800 0.021 0.000 2.096 319 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 319 Q C 2.082 178.133 176.000 0.085 0.000 0.982 319 Q CA 2.731 58.561 55.803 0.044 0.000 0.850 319 Q CB -0.772 27.992 28.738 0.043 0.000 0.901 319 Q HN 0.579 nan 8.270 nan 0.000 0.422 320 T N -0.420 114.198 114.554 0.107 0.000 2.720 320 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 320 T C 1.597 176.358 174.700 0.102 0.000 1.037 320 T CA 1.375 63.597 62.100 0.204 0.000 1.144 320 T CB -0.908 68.120 68.868 0.267 0.000 0.864 320 T HN 0.609 nan 8.240 nan 0.000 0.444 321 G N 1.114 109.947 108.800 0.055 0.000 2.446 321 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 321 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 321 G C 1.713 176.609 174.900 -0.007 0.000 1.168 321 G CA 1.027 46.132 45.100 0.008 0.000 0.771 321 G HN 0.441 nan 8.290 nan 0.000 0.551 322 V N 0.922 120.844 119.914 0.014 0.000 2.332 322 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 322 V C 3.152 179.252 176.094 0.010 0.000 1.055 322 V CA 2.416 64.722 62.300 0.010 0.000 1.038 322 V CB -0.929 30.905 31.823 0.018 0.000 0.651 322 V HN 0.411 nan 8.190 nan 0.000 0.450 323 T N -0.494 114.084 114.554 0.041 0.000 2.701 323 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 323 T C 1.963 176.655 174.700 -0.014 0.000 1.040 323 T CA 1.552 63.694 62.100 0.070 0.000 1.147 323 T CB -0.213 68.781 68.868 0.209 0.000 0.865 323 T HN 0.241 nan 8.240 nan 0.000 0.426 324 V N 1.296 121.123 119.914 -0.145 0.000 2.343 324 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 324 V C 2.777 178.779 176.094 -0.153 0.000 1.051 324 V CA 2.126 64.224 62.300 -0.338 0.000 1.036 324 V CB -1.161 30.346 31.823 -0.527 0.000 0.654 324 V HN 0.624 nan 8.190 nan 0.000 0.451 325 G N -0.396 108.349 108.800 -0.091 0.000 2.394 325 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 325 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 325 G C 1.890 176.775 174.900 -0.026 0.000 1.165 325 G CA 1.239 46.311 45.100 -0.047 0.000 0.784 325 G HN 0.631 nan 8.290 nan 0.000 0.535 326 S N 0.703 116.383 115.700 -0.034 0.000 2.355 326 S HA -0.022 4.448 4.470 -0.000 0.000 0.222 326 S C 2.122 176.678 174.600 -0.075 0.000 1.031 326 S CA 1.449 59.626 58.200 -0.039 0.000 0.993 326 S CB -0.294 62.883 63.200 -0.037 0.000 0.859 326 S HN 0.391 nan 8.310 nan 0.000 0.453 327 K N 1.784 122.120 120.400 -0.106 0.000 2.032 327 K HA 0.002 4.322 4.320 -0.000 0.000 0.209 327 K C 2.614 179.148 176.600 -0.110 0.000 1.048 327 K CA 1.339 57.494 56.287 -0.219 0.000 0.927 327 K CB -0.680 31.619 32.500 -0.336 0.000 0.712 327 K HN 0.505 nan 8.250 nan 0.000 0.441 328 A N 1.443 124.286 122.820 0.038 0.000 1.940 328 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 328 A C 2.122 179.812 177.584 0.176 0.000 1.176 328 A CA 1.254 53.398 52.037 0.179 0.000 0.631 328 A CB -0.496 18.575 19.000 0.118 0.000 0.814 328 A HN 0.254 nan 8.150 nan 0.000 0.446 329 L N -0.082 121.219 121.223 0.129 0.000 2.027 329 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 329 L C 2.332 179.393 176.870 0.319 0.000 1.074 329 L CA 2.617 57.616 54.840 0.264 0.000 0.745 329 L CB -0.497 41.672 42.059 0.183 0.000 0.898 329 L HN 0.457 nan 8.230 nan 0.000 0.433 330 K N -1.562 118.874 120.400 0.060 0.000 2.032 330 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 330 K C 2.161 178.690 176.600 -0.119 0.000 1.048 330 K CA 1.790 58.024 56.287 -0.088 0.000 0.927 330 K CB -0.280 32.025 32.500 -0.326 0.000 0.712 330 K HN 0.517 nan 8.250 nan 0.000 0.441 331 H N -0.783 118.299 119.070 0.020 0.000 2.395 331 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 331 H C 2.046 177.383 175.328 0.014 0.000 1.070 331 H CA 1.386 57.422 56.048 -0.020 0.000 1.356 331 H CB -0.412 29.332 29.762 -0.029 0.000 1.401 331 H HN 0.254 nan 8.280 nan 0.000 0.524 332 F N 0.513 120.492 119.950 0.049 0.000 2.126 332 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 332 F C 1.759 177.447 175.800 -0.187 0.000 1.096 332 F CA 1.344 59.283 58.000 -0.101 0.000 1.255 332 F CB -0.484 38.471 39.000 -0.075 0.000 0.997 332 F HN 0.028 nan 8.300 nan 0.000 0.479 333 W N 0.593 121.923 121.300 0.050 0.000 2.800 333 W HA 0.063 4.723 4.660 -0.000 0.000 0.249 333 W C 1.897 178.434 176.519 0.030 0.000 1.294 333 W CA 0.523 57.895 57.345 0.044 0.000 1.402 333 W CB -0.209 29.309 29.460 0.098 0.000 1.126 333 W HN -0.133 nan 8.180 nan 0.000 0.652 334 K N -0.384 120.013 120.400 -0.004 0.000 2.374 334 K HA 0.251 4.571 4.320 -0.000 0.000 0.196 334 K C 1.218 177.373 176.600 -0.743 0.000 1.023 334 K CA 0.587 56.761 56.287 -0.189 0.000 1.103 334 K CB 0.375 32.812 32.500 -0.105 0.000 0.848 334 K HN 0.073 nan 8.250 nan 0.000 0.528 335 G N 1.106 109.180 108.800 -1.211 0.000 2.148 335 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.203 335 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.203 335 G C -0.134 174.192 174.900 -0.956 0.000 0.993 335 G CA 0.035 43.928 45.100 -2.011 0.000 0.661 335 G HN 0.240 nan 8.290 nan 0.000 0.518 336 V N -3.024 116.554 119.914 -0.561 0.000 3.078 336 V HA 0.853 4.973 4.120 -0.000 0.000 0.311 336 V C -0.348 175.628 176.094 -0.195 0.000 1.138 336 V CA -1.642 60.455 62.300 -0.339 0.000 1.007 336 V CB 1.598 33.320 31.823 -0.168 0.000 1.045 336 V HN 0.322 nan 8.190 nan 0.000 0.432 337 H N 2.295 121.417 119.070 0.087 0.000 2.604 337 H HA 0.544 5.100 4.556 -0.000 0.000 0.306 337 H C -1.251 174.161 175.328 0.141 0.000 1.075 337 H CA 0.031 56.168 56.048 0.148 0.000 1.357 337 H CB 1.208 31.040 29.762 0.116 0.000 1.426 337 H HN 0.822 nan 8.280 nan 0.000 0.470 338 Y N 4.249 124.640 120.300 0.152 0.000 2.341 338 Y HA 0.456 5.006 4.550 -0.000 0.000 0.337 338 Y C -0.868 175.091 175.900 0.100 0.000 1.014 338 Y CA -0.871 57.264 58.100 0.058 0.000 1.111 338 Y CB 0.580 39.012 38.460 -0.046 0.000 1.194 338 Y HN 0.543 nan 8.280 nan 0.000 0.462 339 R N 4.497 124.745 120.500 -0.420 0.000 2.698 339 R HA 0.227 4.567 4.340 -0.000 0.000 0.275 339 R C -1.796 174.400 176.300 -0.173 0.000 1.001 339 R CA -0.768 55.194 56.100 -0.230 0.000 0.896 339 R CB 1.356 31.611 30.300 -0.075 0.000 1.218 339 R HN 0.685 nan 8.270 nan 0.000 0.462 340 W N 0.604 121.744 121.300 -0.267 0.000 2.449 340 W HA 0.695 5.355 4.660 -0.000 0.000 0.331 340 W C 0.123 176.463 176.519 -0.298 0.000 1.119 340 W CA -0.766 56.410 57.345 -0.282 0.000 1.240 340 W CB 1.309 30.700 29.460 -0.115 0.000 1.251 340 W HN 0.624 nan 8.180 nan 0.000 0.576 341 A N 2.938 125.567 122.820 -0.318 0.000 2.413 341 A HA 0.920 5.240 4.320 -0.000 0.000 0.307 341 A C -1.933 175.225 177.584 -0.710 0.000 1.087 341 A CA -0.544 51.312 52.037 -0.303 0.000 0.750 341 A CB 1.093 20.001 19.000 -0.153 0.000 1.296 341 A HN 0.367 nan 8.150 nan 0.000 0.423 342 F N 0.012 119.948 119.950 -0.023 0.000 2.588 342 F HA 0.491 5.018 4.527 -0.000 0.000 0.310 342 F C -0.131 175.654 175.800 -0.025 0.000 1.082 342 F CA -0.714 57.275 58.000 -0.019 0.000 0.929 342 F CB 1.667 40.638 39.000 -0.048 0.000 1.254 342 F HN 0.650 nan 8.300 nan 0.000 0.455 343 F N 4.390 124.351 119.950 0.019 0.000 2.635 343 F HA 0.229 4.756 4.527 -0.000 0.000 0.379 343 F C -0.557 175.234 175.800 -0.015 0.000 1.094 343 F CA 0.317 58.229 58.000 -0.147 0.000 1.300 343 F CB 0.228 38.975 39.000 -0.423 0.000 1.035 343 F HN 0.238 nan 8.300 nan 0.000 0.581 344 M N 6.398 125.326 119.600 -1.120 0.000 2.267 344 M HA 0.360 4.840 4.480 -0.000 0.000 0.289 344 M C -0.478 175.068 176.300 -1.257 0.000 1.043 344 M CA -0.655 54.116 55.300 -0.882 0.000 0.928 344 M CB 1.629 34.026 32.600 -0.338 0.000 1.613 344 M HN 0.774 nan 8.290 nan 0.000 0.450 345 A N 2.617 124.894 122.820 -0.904 0.000 2.511 345 A HA 0.450 4.770 4.320 -0.000 0.000 0.242 345 A C 0.218 177.650 177.584 -0.254 0.000 1.069 345 A CA 0.225 52.025 52.037 -0.395 0.000 0.763 345 A CB 0.220 19.195 19.000 -0.041 0.000 1.001 345 A HN 0.775 nan 8.150 nan 0.000 0.498 346 S N 1.533 117.107 115.700 -0.211 0.000 2.545 346 S HA 0.451 4.921 4.470 -0.000 0.000 0.259 346 S C 0.937 175.461 174.600 -0.125 0.000 1.092 346 S CA 0.087 58.203 58.200 -0.140 0.000 1.054 346 S CB 0.356 63.469 63.200 -0.145 0.000 1.146 346 S HN 1.494 nan 8.310 nan 0.000 0.447 347 G N 5.131 113.900 108.800 -0.052 0.000 2.446 347 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 347 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 347 G C -1.148 173.766 174.900 0.023 0.000 1.168 347 G CA 1.073 46.176 45.100 0.006 0.000 0.771 347 G HN 0.597 nan 8.290 nan 0.000 0.551 348 P HA -0.042 nan 4.420 nan 0.000 0.215 348 P C 1.878 179.151 177.300 -0.044 0.000 1.153 348 P CA 1.090 64.199 63.100 0.016 0.000 0.853 348 P CB -0.098 31.619 31.700 0.028 0.000 0.788 349 C N -1.651 117.573 119.300 -0.126 0.000 2.450 349 C HA -0.015 4.445 4.460 -0.000 0.000 0.279 349 C C 2.675 177.388 174.990 -0.462 0.000 1.335 349 C CA 0.448 59.263 59.018 -0.338 0.000 1.749 349 C CB -1.837 25.648 27.740 -0.426 0.000 1.963 349 C HN 0.203 nan 8.230 nan 0.000 0.501 350 L N 0.760 121.805 121.223 -0.297 0.000 2.131 350 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 350 L C 2.221 179.166 176.870 0.124 0.000 1.092 350 L CA 1.288 56.004 54.840 -0.206 0.000 0.759 350 L CB -0.614 41.247 42.059 -0.331 0.000 0.903 350 L HN 0.361 nan 8.230 nan 0.000 0.435 351 D N 0.015 120.472 120.400 0.095 0.000 2.117 351 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 351 D C 1.730 178.074 176.300 0.075 0.000 0.987 351 D CA 1.188 55.270 54.000 0.137 0.000 0.829 351 D CB -0.141 40.718 40.800 0.098 0.000 0.961 351 D HN 0.314 nan 8.370 nan 0.000 0.460 352 D N 0.466 120.855 120.400 -0.018 0.000 2.117 352 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 352 D C 2.357 178.646 176.300 -0.018 0.000 0.982 352 D CA 0.360 54.360 54.000 0.000 0.000 0.828 352 D CB -0.240 40.567 40.800 0.012 0.000 0.967 352 D HN 0.270 nan 8.370 nan 0.000 0.464 353 I N 1.439 121.894 120.570 -0.192 0.000 2.226 353 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 353 I C 2.519 178.773 176.117 0.228 0.000 1.100 353 I CA 1.084 62.379 61.300 -0.008 0.000 1.374 353 I CB -0.232 37.709 38.000 -0.099 0.000 1.057 353 I HN -0.084 nan 8.210 nan 0.000 0.413 354 A N 0.081 123.082 122.820 0.302 0.000 1.933 354 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 354 A C 2.332 179.953 177.584 0.062 0.000 1.175 354 A CA 1.951 54.083 52.037 0.159 0.000 0.628 354 A CB -0.634 18.412 19.000 0.075 0.000 0.814 354 A HN 0.509 nan 8.150 nan 0.000 0.444 355 E N -0.253 119.997 120.200 0.083 0.000 2.106 355 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 355 E C 1.912 178.560 176.600 0.080 0.000 0.984 355 E CA 0.979 57.418 56.400 0.066 0.000 0.806 355 E CB -0.178 29.571 29.700 0.081 0.000 0.750 355 E HN 0.653 nan 8.360 nan 0.000 0.458 356 L N 0.112 121.407 121.223 0.120 0.000 2.046 356 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 356 L C 2.507 179.417 176.870 0.068 0.000 1.077 356 L CA 0.665 55.571 54.840 0.111 0.000 0.747 356 L CB -0.340 41.804 42.059 0.142 0.000 0.896 356 L HN 0.086 nan 8.230 nan 0.000 0.432 357 V N -0.273 119.691 119.914 0.082 0.000 2.255 357 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 357 V C 1.933 178.029 176.094 0.003 0.000 1.051 357 V CA 2.033 64.362 62.300 0.048 0.000 1.018 357 V CB -0.507 31.349 31.823 0.055 0.000 0.641 357 V HN 0.430 nan 8.190 nan 0.000 0.445 358 D N 0.022 120.414 120.400 -0.013 0.000 2.350 358 D HA -0.007 4.633 4.640 -0.000 0.000 0.216 358 D C 1.886 178.181 176.300 -0.010 0.000 0.968 358 D CA 1.173 55.155 54.000 -0.029 0.000 0.894 358 D CB -0.080 40.692 40.800 -0.046 0.000 0.909 358 D HN 0.469 nan 8.370 nan 0.000 0.520 359 A N -0.365 122.461 122.820 0.010 0.000 2.238 359 A HA 0.385 4.705 4.320 -0.000 0.000 0.208 359 A C 1.801 179.389 177.584 0.007 0.000 1.177 359 A CA 0.958 53.003 52.037 0.014 0.000 0.804 359 A CB -0.164 18.857 19.000 0.035 0.000 0.823 359 A HN 0.216 nan 8.150 nan 0.000 0.482 360 G N -0.599 108.201 108.800 0.000 0.000 2.143 360 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.249 360 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.249 360 G C 0.938 175.832 174.900 -0.011 0.000 0.981 360 G CA 0.664 45.761 45.100 -0.006 0.000 0.665 360 G HN 0.406 nan 8.290 nan 0.000 0.528 361 K N -0.474 119.920 120.400 -0.010 0.000 2.262 361 K HA 0.328 4.648 4.320 -0.000 0.000 0.200 361 K C 1.133 177.689 176.600 -0.074 0.000 1.049 361 K CA 0.578 56.843 56.287 -0.036 0.000 0.979 361 K CB 0.678 33.162 32.500 -0.028 0.000 0.773 361 K HN 0.544 nan 8.250 nan 0.000 0.474 362 I N 1.817 122.359 120.570 -0.047 0.000 2.447 362 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 362 I C -0.450 175.676 176.117 0.015 0.000 1.023 362 I CA -0.731 60.536 61.300 -0.054 0.000 1.083 362 I CB 2.087 40.057 38.000 -0.050 0.000 1.245 362 I HN -0.247 nan 8.210 nan 0.000 0.434 363 R N 4.669 125.176 120.500 0.013 0.000 2.598 363 R HA 0.586 4.926 4.340 -0.000 0.000 0.279 363 R C -2.573 173.774 176.300 0.078 0.000 0.984 363 R CA -1.522 54.600 56.100 0.037 0.000 0.999 363 R CB 1.184 31.493 30.300 0.015 0.000 1.114 363 R HN 0.469 nan 8.270 nan 0.000 0.493 364 P HA 0.305 nan 4.420 nan 0.000 0.274 364 P C -0.861 176.485 177.300 0.077 0.000 1.231 364 P CA -0.317 62.847 63.100 0.106 0.000 0.790 364 P CB 0.771 32.530 31.700 0.098 0.000 0.951 365 V N 3.884 123.847 119.914 0.082 0.000 2.380 365 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 365 V C 0.227 176.356 176.094 0.058 0.000 1.011 365 V CA -0.284 62.052 62.300 0.060 0.000 0.826 365 V CB 0.651 32.509 31.823 0.058 0.000 1.040 365 V HN 0.404 nan 8.190 nan 0.000 0.441 366 I N 3.018 123.617 120.570 0.048 0.000 2.330 366 I HA 0.336 4.506 4.170 -0.000 0.000 0.289 366 I C 1.303 177.439 176.117 0.032 0.000 1.001 366 I CA -0.024 61.304 61.300 0.046 0.000 1.193 366 I CB 1.889 39.917 38.000 0.046 0.000 1.345 366 I HN 0.639 nan 8.210 nan 0.000 0.461 367 E N 5.101 125.323 120.200 0.037 0.000 2.051 367 E HA -0.013 4.337 4.350 -0.000 0.000 0.189 367 E C 0.447 177.050 176.600 0.005 0.000 0.979 367 E CA 0.871 57.288 56.400 0.028 0.000 0.803 367 E CB 0.532 30.259 29.700 0.045 0.000 0.761 367 E HN 0.662 nan 8.360 nan 0.000 0.451 368 Q N -0.142 119.664 119.800 0.010 0.000 2.435 368 Q HA 0.242 4.582 4.340 -0.000 0.000 0.282 368 Q C -1.705 174.257 176.000 -0.063 0.000 1.020 368 Q CA -0.636 55.121 55.803 -0.078 0.000 0.820 368 Q CB 2.166 30.845 28.738 -0.098 0.000 1.436 368 Q HN 0.174 nan 8.270 nan 0.000 0.395 369 T N -0.924 113.513 114.554 -0.196 0.000 2.863 369 T HA 0.780 5.130 4.350 -0.000 0.000 0.285 369 T C -0.903 173.623 174.700 -0.291 0.000 1.009 369 T CA -0.447 61.600 62.100 -0.089 0.000 0.989 369 T CB 0.781 69.637 68.868 -0.019 0.000 1.004 369 T HN 0.315 nan 8.240 nan 0.000 0.455 370 F N 2.341 122.309 119.950 0.030 0.000 2.551 370 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 370 F C -2.183 173.650 175.800 0.055 0.000 1.089 370 F CA -2.389 55.626 58.000 0.024 0.000 0.915 370 F CB 2.390 41.388 39.000 -0.004 0.000 1.186 370 F HN 0.427 nan 8.300 nan 0.000 0.456 371 P HA 0.028 nan 4.420 nan 0.000 0.274 371 P C 0.759 178.220 177.300 0.269 0.000 1.246 371 P CA -0.148 63.077 63.100 0.209 0.000 0.795 371 P CB 0.844 32.631 31.700 0.146 0.000 1.006 372 F N 1.666 121.692 119.950 0.127 0.000 2.250 372 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 372 F C 2.286 178.254 175.800 0.280 0.000 1.077 372 F CA 2.269 60.390 58.000 0.202 0.000 1.348 372 F CB -0.818 38.316 39.000 0.223 0.000 1.040 372 F HN 0.286 nan 8.300 nan 0.000 0.509 373 S N -1.417 114.421 115.700 0.229 0.000 2.515 373 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 373 S C 1.203 175.849 174.600 0.077 0.000 0.987 373 S CA 0.543 58.823 58.200 0.133 0.000 0.936 373 S CB -0.266 62.961 63.200 0.044 0.000 0.766 373 S HN 0.181 nan 8.310 nan 0.000 0.528 374 K N 1.246 121.645 120.400 -0.002 0.000 2.726 374 K HA 0.417 4.737 4.320 -0.000 0.000 0.209 374 K C 0.899 177.288 176.600 -0.353 0.000 1.082 374 K CA -0.126 56.107 56.287 -0.090 0.000 1.081 374 K CB 0.367 32.955 32.500 0.147 0.000 0.830 374 K HN 0.220 nan 8.250 nan 0.000 0.470 375 V N 1.615 121.124 119.914 -0.674 0.000 2.343 375 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 375 V C -0.890 174.753 176.094 -0.752 0.000 1.051 375 V CA 1.824 63.605 62.300 -0.865 0.000 1.036 375 V CB -0.927 29.968 31.823 -1.547 0.000 0.654 375 V HN 0.199 nan 8.190 nan 0.000 0.451 376 P HA -0.127 nan 4.420 nan 0.000 0.215 376 P C 1.469 178.573 177.300 -0.327 0.000 1.153 376 P CA 1.240 64.017 63.100 -0.538 0.000 0.853 376 P CB 0.043 31.489 31.700 -0.422 0.000 0.788 377 E N -0.314 119.674 120.200 -0.354 0.000 2.077 377 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 377 E C 2.152 178.372 176.600 -0.634 0.000 0.989 377 E CA 1.481 57.681 56.400 -0.334 0.000 0.800 377 E CB -1.130 28.461 29.700 -0.182 0.000 0.746 377 E HN 0.126 nan 8.360 nan 0.000 0.452 378 A N 0.170 122.365 122.820 -1.043 0.000 1.877 378 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 378 A C 1.962 179.298 177.584 -0.413 0.000 1.186 378 A CA 1.257 52.621 52.037 -1.122 0.000 0.620 378 A CB -0.850 17.644 19.000 -0.844 0.000 0.822 378 A HN 0.223 nan 8.150 nan 0.000 0.443 379 F N 0.088 119.771 119.950 -0.445 0.000 2.095 379 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 379 F C 2.183 177.855 175.800 -0.213 0.000 1.104 379 F CA 1.495 59.326 58.000 -0.281 0.000 1.232 379 F CB -0.547 38.301 39.000 -0.254 0.000 0.987 379 F HN 0.096 nan 8.300 nan 0.000 0.475 380 L N -0.415 120.790 121.223 -0.031 0.000 2.083 380 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 380 L C 2.618 179.461 176.870 -0.045 0.000 1.083 380 L CA 1.230 56.048 54.840 -0.037 0.000 0.752 380 L CB -0.691 41.343 42.059 -0.041 0.000 0.899 380 L HN 0.066 nan 8.230 nan 0.000 0.433 381 K N 0.576 120.932 120.400 -0.073 0.000 2.009 381 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 381 K C 1.978 178.563 176.600 -0.024 0.000 1.049 381 K CA 1.774 58.057 56.287 -0.007 0.000 0.929 381 K CB -0.181 32.354 32.500 0.059 0.000 0.714 381 K HN 0.145 nan 8.250 nan 0.000 0.440 382 V N 1.344 121.204 119.914 -0.090 0.000 2.407 382 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 382 V C 2.422 178.449 176.094 -0.111 0.000 1.055 382 V CA 2.100 64.329 62.300 -0.118 0.000 1.049 382 V CB -0.479 31.210 31.823 -0.224 0.000 0.662 382 V HN 0.467 nan 8.190 nan 0.000 0.455 383 E N 0.030 120.170 120.200 -0.099 0.000 2.153 383 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 383 E C 2.372 178.941 176.600 -0.051 0.000 0.988 383 E CA 0.990 57.346 56.400 -0.072 0.000 0.811 383 E CB -0.040 29.638 29.700 -0.036 0.000 0.746 383 E HN 0.437 nan 8.360 nan 0.000 0.466 384 R N -0.466 120.019 120.500 -0.025 0.000 2.189 384 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 384 R C 0.920 177.210 176.300 -0.017 0.000 1.092 384 R CA 0.714 56.820 56.100 0.010 0.000 0.989 384 R CB -0.027 30.304 30.300 0.052 0.000 0.876 384 R HN 0.318 nan 8.270 nan 0.000 0.457 385 G N -0.619 108.141 108.800 -0.067 0.000 2.615 385 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 385 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 385 G C -0.764 174.066 174.900 -0.117 0.000 1.339 385 G CA -0.286 44.705 45.100 -0.182 0.000 0.884 385 G HN 0.542 nan 8.290 nan 0.000 0.559 386 H N -2.004 117.076 119.070 0.018 0.000 2.713 386 H HA -0.085 4.471 4.556 -0.000 0.000 0.311 386 H C 1.335 176.679 175.328 0.026 0.000 1.175 386 H CA 1.533 57.600 56.048 0.031 0.000 1.143 386 H CB -2.140 27.641 29.762 0.031 0.000 1.434 386 H HN 2.126 nan 8.280 nan 0.000 0.418 387 A N 1.557 124.410 122.820 0.054 0.000 2.584 387 A HA 0.161 4.481 4.320 -0.000 0.000 0.239 387 A C 0.931 178.554 177.584 0.065 0.000 1.043 387 A CA 0.311 52.375 52.037 0.046 0.000 0.756 387 A CB 0.346 19.352 19.000 0.010 0.000 0.963 387 A HN 0.330 nan 8.150 nan 0.000 0.511 388 R N 2.546 123.083 120.500 0.061 0.000 2.587 388 R HA 0.464 4.804 4.340 -0.000 0.000 0.283 388 R C 0.861 177.189 176.300 0.046 0.000 1.472 388 R CA 0.563 56.695 56.100 0.054 0.000 1.578 388 R CB -0.139 30.191 30.300 0.050 0.000 1.130 388 R HN 1.721 nan 8.270 nan 0.000 0.602 389 G N 2.237 111.065 108.800 0.046 0.000 2.498 389 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.245 389 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.245 389 G C -0.841 174.087 174.900 0.046 0.000 1.204 389 G CA -0.490 44.640 45.100 0.050 0.000 0.933 389 G HN 0.297 nan 8.290 nan 0.000 0.574 390 K N 0.529 120.959 120.400 0.051 0.000 2.203 390 K HA 0.697 5.017 4.320 -0.000 0.000 0.251 390 K C -0.483 176.153 176.600 0.059 0.000 0.944 390 K CA -0.423 55.893 56.287 0.048 0.000 0.829 390 K CB 1.685 34.218 32.500 0.056 0.000 1.125 390 K HN 0.573 nan 8.250 nan 0.000 0.430 391 T N 1.269 115.858 114.554 0.058 0.000 2.771 391 T HA 0.430 4.780 4.350 -0.000 0.000 0.281 391 T C -0.322 174.442 174.700 0.106 0.000 0.982 391 T CA -0.543 61.624 62.100 0.113 0.000 0.978 391 T CB 1.117 70.060 68.868 0.125 0.000 0.930 391 T HN 0.126 nan 8.240 nan 0.000 0.447 392 V N 4.530 124.537 119.914 0.154 0.000 2.680 392 V HA 0.521 4.641 4.120 -0.000 0.000 0.309 392 V C -0.647 175.563 176.094 0.194 0.000 1.052 392 V CA -1.021 61.362 62.300 0.138 0.000 0.908 392 V CB 2.049 33.942 31.823 0.116 0.000 1.001 392 V HN 0.712 nan 8.190 nan 0.000 0.431 393 I N 3.557 124.234 120.570 0.178 0.000 2.339 393 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 393 I C -0.003 176.238 176.117 0.208 0.000 0.994 393 I CA -0.729 60.704 61.300 0.221 0.000 1.191 393 I CB 1.363 39.498 38.000 0.225 0.000 1.343 393 I HN 0.556 nan 8.210 nan 0.000 0.458 394 N N 5.712 124.529 118.700 0.196 0.000 2.405 394 N HA 0.135 4.875 4.740 -0.000 0.000 0.260 394 N C 1.026 176.625 175.510 0.149 0.000 1.152 394 N CA -0.015 53.122 53.050 0.145 0.000 0.948 394 N CB 2.400 40.954 38.487 0.113 0.000 1.111 394 N HN 0.349 nan 8.380 nan 0.000 0.485 395 V N 2.363 122.303 119.914 0.043 0.000 2.374 395 V HA -0.001 4.119 4.120 -0.000 0.000 0.241 395 V C 1.304 177.225 176.094 -0.288 0.000 1.034 395 V CA 0.818 63.006 62.300 -0.187 0.000 1.037 395 V CB 0.172 31.816 31.823 -0.298 0.000 0.682 395 V HN 0.326 nan 8.190 nan 0.000 0.463 396 V N 0.000 119.759 119.914 -0.259 0.000 2.409 396 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 396 V CA 0.000 62.130 62.300 -0.283 0.000 1.235 396 V CB 0.000 31.490 31.823 -0.555 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556