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 1f1b_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLARV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.545 177.584 -0.066 0.000 1.274 1 A CA 0.000 51.921 52.037 -0.193 0.000 0.836 1 A CB 0.000 18.877 19.000 -0.205 0.000 0.831 2 N N 0.972 119.656 118.700 -0.026 0.000 2.408 2 N HA 0.585 5.325 4.740 -0.000 0.000 0.260 2 N C -1.801 173.755 175.510 0.075 0.000 1.242 2 N CA -1.006 52.064 53.050 0.033 0.000 0.959 2 N CB 0.532 39.048 38.487 0.049 0.000 1.201 2 N HN 0.158 nan 8.380 nan 0.000 0.511 3 P HA -0.111 nan 4.420 nan 0.000 0.216 3 P C 0.090 177.428 177.300 0.065 0.000 1.150 3 P CA 1.444 64.576 63.100 0.054 0.000 0.843 3 P CB 0.079 31.803 31.700 0.039 0.000 0.787 4 L N -3.262 118.009 121.223 0.080 0.000 3.062 4 L HA 0.271 4.611 4.340 -0.000 0.000 0.255 4 L C 0.227 177.146 176.870 0.081 0.000 1.274 4 L CA -0.861 54.018 54.840 0.065 0.000 1.047 4 L CB -0.657 41.437 42.059 0.058 0.000 1.402 4 L HN -0.067 nan 8.230 nan 0.000 0.550 5 Y N 2.434 122.730 120.300 -0.006 0.000 2.465 5 Y HA 0.038 4.588 4.550 -0.000 0.000 0.331 5 Y C 0.912 176.795 175.900 -0.029 0.000 1.102 5 Y CA 0.055 58.150 58.100 -0.009 0.000 1.358 5 Y CB 0.464 38.919 38.460 -0.008 0.000 1.213 5 Y HN 0.267 nan 8.280 nan 0.000 0.525 6 Q N 2.028 121.438 119.800 -0.651 0.000 2.468 6 Q HA -0.258 4.082 4.340 -0.000 0.000 0.256 6 Q C -0.679 175.124 176.000 -0.328 0.000 0.984 6 Q CA 0.969 56.454 55.803 -0.530 0.000 1.110 6 Q CB -1.140 27.218 28.738 -0.633 0.000 1.527 6 Q HN 0.582 nan 8.270 nan 0.000 0.535 7 K N 0.828 121.099 120.400 -0.215 0.000 2.098 7 K HA 0.366 4.686 4.320 -0.000 0.000 0.261 7 K C 0.139 176.658 176.600 -0.135 0.000 0.987 7 K CA -0.498 55.668 56.287 -0.201 0.000 0.916 7 K CB 0.562 33.014 32.500 -0.080 0.000 1.039 7 K HN 0.097 nan 8.250 nan 0.000 0.455 8 H N 1.841 120.895 119.070 -0.028 0.000 2.548 8 H HA 0.220 4.776 4.556 -0.000 0.000 0.331 8 H C 0.092 175.423 175.328 0.004 0.000 1.093 8 H CA -0.356 55.681 56.048 -0.019 0.000 1.367 8 H CB 0.724 30.472 29.762 -0.024 0.000 1.455 8 H HN 0.194 nan 8.280 nan 0.000 0.519 9 I N 5.190 125.850 120.570 0.149 0.000 2.417 9 I HA 0.007 4.177 4.170 -0.000 0.000 0.283 9 I C 1.179 177.355 176.117 0.098 0.000 1.121 9 I CA -0.120 61.248 61.300 0.113 0.000 1.211 9 I CB -0.403 37.669 38.000 0.121 0.000 1.492 9 I HN 0.495 nan 8.210 nan 0.000 0.522 10 I N 0.966 121.586 120.570 0.083 0.000 2.494 10 I HA 0.057 4.227 4.170 -0.000 0.000 0.250 10 I C 1.049 177.205 176.117 0.064 0.000 1.112 10 I CA 0.909 62.242 61.300 0.053 0.000 1.438 10 I CB -0.045 37.967 38.000 0.021 0.000 1.111 10 I HN 0.465 nan 8.210 nan 0.000 0.431 11 S N -0.064 115.675 115.700 0.065 0.000 2.533 11 S HA 0.387 4.857 4.470 -0.000 0.000 0.271 11 S C 0.594 175.235 174.600 0.068 0.000 1.143 11 S CA -0.634 57.607 58.200 0.068 0.000 0.891 11 S CB 1.347 64.573 63.200 0.044 0.000 1.105 11 S HN 0.023 nan 8.310 nan 0.000 0.468 12 I N 3.651 124.268 120.570 0.079 0.000 2.423 12 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 12 I C 2.078 178.230 176.117 0.057 0.000 1.151 12 I CA 1.391 62.736 61.300 0.075 0.000 1.421 12 I CB -1.508 36.543 38.000 0.085 0.000 1.079 12 I HN 0.796 nan 8.210 nan 0.000 0.431 13 N N 0.783 119.511 118.700 0.047 0.000 2.453 13 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 13 N C 1.072 176.595 175.510 0.021 0.000 1.041 13 N CA 0.898 53.966 53.050 0.030 0.000 0.900 13 N CB 0.163 38.661 38.487 0.017 0.000 0.961 13 N HN 0.237 nan 8.380 nan 0.000 0.443 14 D N -0.701 119.716 120.400 0.028 0.000 2.367 14 D HA 0.114 4.754 4.640 -0.000 0.000 0.207 14 D C 0.116 176.432 176.300 0.026 0.000 1.034 14 D CA 0.186 54.201 54.000 0.024 0.000 0.861 14 D CB 0.638 41.455 40.800 0.029 0.000 0.943 14 D HN 0.278 nan 8.370 nan 0.000 0.515 15 L N 0.378 121.622 121.223 0.034 0.000 2.387 15 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 15 L C 0.800 177.680 176.870 0.016 0.000 1.059 15 L CA -0.657 54.203 54.840 0.033 0.000 0.801 15 L CB 1.521 43.610 42.059 0.051 0.000 1.223 15 L HN -0.148 nan 8.230 nan 0.000 0.456 16 S N -0.357 115.346 115.700 0.004 0.000 2.689 16 S HA 0.403 4.873 4.470 -0.000 0.000 0.306 16 S C 0.726 175.293 174.600 -0.054 0.000 1.104 16 S CA -0.821 57.362 58.200 -0.028 0.000 0.973 16 S CB 1.981 65.163 63.200 -0.028 0.000 1.121 16 S HN 0.694 nan 8.310 nan 0.000 0.523 17 R N 0.518 120.936 120.500 -0.137 0.000 2.096 17 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 17 R C 0.893 177.115 176.300 -0.130 0.000 1.139 17 R CA 2.440 58.378 56.100 -0.271 0.000 0.952 17 R CB -0.906 29.135 30.300 -0.431 0.000 0.854 17 R HN 0.792 nan 8.270 nan 0.000 0.436 18 D N 0.552 120.906 120.400 -0.077 0.000 2.144 18 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 18 D C 1.517 177.827 176.300 0.017 0.000 0.984 18 D CA 1.183 55.172 54.000 -0.019 0.000 0.834 18 D CB -0.419 40.372 40.800 -0.015 0.000 0.955 18 D HN 0.307 nan 8.370 nan 0.000 0.465 19 D N 0.607 121.016 120.400 0.015 0.000 2.092 19 D HA -0.099 4.541 4.640 -0.000 0.000 0.193 19 D C 2.462 178.801 176.300 0.065 0.000 0.994 19 D CA 0.482 54.505 54.000 0.038 0.000 0.828 19 D CB -0.456 40.365 40.800 0.034 0.000 0.963 19 D HN 0.210 nan 8.370 nan 0.000 0.450 20 L N 0.533 121.804 121.223 0.080 0.000 1.990 20 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 20 L C 2.096 179.065 176.870 0.164 0.000 1.072 20 L CA 1.406 56.331 54.840 0.142 0.000 0.755 20 L CB -0.676 41.517 42.059 0.223 0.000 0.889 20 L HN 0.047 nan 8.230 nan 0.000 0.432 21 N N -0.304 118.495 118.700 0.165 0.000 2.205 21 N HA -0.226 4.514 4.740 -0.000 0.000 0.186 21 N C 1.738 177.319 175.510 0.118 0.000 1.015 21 N CA 0.815 53.965 53.050 0.167 0.000 0.862 21 N CB -0.099 38.471 38.487 0.138 0.000 0.986 21 N HN 0.139 nan 8.380 nan 0.000 0.429 22 L N 0.537 121.812 121.223 0.087 0.000 2.093 22 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 22 L C 1.845 178.755 176.870 0.066 0.000 1.085 22 L CA 1.226 56.107 54.840 0.068 0.000 0.755 22 L CB -0.364 41.728 42.059 0.055 0.000 0.904 22 L HN -0.021 nan 8.230 nan 0.000 0.435 23 V N -0.592 119.365 119.914 0.070 0.000 2.261 23 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 23 V C 2.500 178.609 176.094 0.025 0.000 1.047 23 V CA 1.870 64.198 62.300 0.046 0.000 1.015 23 V CB -0.658 31.195 31.823 0.050 0.000 0.642 23 V HN 0.345 nan 8.190 nan 0.000 0.446 24 L N 0.554 121.827 121.223 0.084 0.000 2.017 24 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 24 L C 2.648 179.616 176.870 0.163 0.000 1.073 24 L CA 2.287 57.215 54.840 0.147 0.000 0.745 24 L CB -1.302 40.942 42.059 0.308 0.000 0.894 24 L HN 0.285 nan 8.230 nan 0.000 0.432 25 A N -1.198 121.703 122.820 0.136 0.000 1.908 25 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 25 A C 2.399 180.029 177.584 0.076 0.000 1.181 25 A CA 2.421 54.527 52.037 0.115 0.000 0.627 25 A CB -1.078 17.975 19.000 0.088 0.000 0.818 25 A HN 0.450 nan 8.150 nan 0.000 0.445 26 T N 0.286 114.868 114.554 0.046 0.000 2.701 26 T HA 0.002 4.351 4.350 -0.000 0.000 0.263 26 T C 2.288 176.982 174.700 -0.010 0.000 1.040 26 T CA 1.653 63.767 62.100 0.022 0.000 1.147 26 T CB -0.589 68.292 68.868 0.022 0.000 0.865 26 T HN 0.620 nan 8.240 nan 0.000 0.426 27 A N 1.809 124.583 122.820 -0.077 0.000 1.892 27 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 27 A C 2.682 180.183 177.584 -0.138 0.000 1.188 27 A CA 2.282 54.189 52.037 -0.215 0.000 0.631 27 A CB -1.349 17.290 19.000 -0.602 0.000 0.822 27 A HN 0.533 nan 8.150 nan 0.000 0.447 28 A N -0.347 122.498 122.820 0.042 0.000 1.892 28 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 28 A C 2.132 179.746 177.584 0.050 0.000 1.188 28 A CA 2.096 54.258 52.037 0.208 0.000 0.631 28 A CB -0.506 18.643 19.000 0.248 0.000 0.822 28 A HN 0.608 nan 8.150 nan 0.000 0.447 29 K N -0.659 119.758 120.400 0.028 0.000 2.057 29 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 29 K C 1.896 178.486 176.600 -0.016 0.000 1.050 29 K CA 1.240 57.531 56.287 0.007 0.000 0.935 29 K CB -0.341 32.170 32.500 0.017 0.000 0.715 29 K HN 0.449 nan 8.250 nan 0.000 0.439 30 L N 1.304 122.517 121.223 -0.016 0.000 2.141 30 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 30 L C 2.572 179.404 176.870 -0.064 0.000 1.094 30 L CA 1.088 55.927 54.840 -0.001 0.000 0.763 30 L CB -0.258 41.829 42.059 0.046 0.000 0.908 30 L HN 0.166 nan 8.230 nan 0.000 0.437 31 K N 0.395 120.666 120.400 -0.216 0.000 2.152 31 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 31 K C 1.559 177.935 176.600 -0.374 0.000 1.048 31 K CA 1.484 57.383 56.287 -0.646 0.000 0.933 31 K CB 0.023 32.056 32.500 -0.779 0.000 0.721 31 K HN 0.303 nan 8.250 nan 0.000 0.447 32 A N 0.085 122.802 122.820 -0.172 0.000 2.470 32 A HA 0.167 4.487 4.320 -0.000 0.000 0.251 32 A C -0.053 177.503 177.584 -0.046 0.000 1.245 32 A CA -0.315 51.665 52.037 -0.096 0.000 0.932 32 A CB 0.333 19.294 19.000 -0.064 0.000 1.037 32 A HN 0.290 nan 8.150 nan 0.000 0.522 33 N N 0.388 119.067 118.700 -0.035 0.000 2.732 33 N HA 0.301 5.041 4.740 -0.000 0.000 0.247 33 N C -3.475 172.041 175.510 0.009 0.000 1.305 33 N CA -1.276 51.769 53.050 -0.007 0.000 0.762 33 N CB 1.137 39.622 38.487 -0.003 0.000 1.361 33 N HN -0.140 nan 8.380 nan 0.000 0.545 34 P HA 0.030 nan 4.420 nan 0.000 0.267 34 P C -0.661 176.659 177.300 0.033 0.000 1.195 34 P CA 0.373 63.498 63.100 0.040 0.000 0.773 34 P CB 0.482 32.208 31.700 0.043 0.000 0.837 35 Q N 2.154 121.977 119.800 0.039 0.000 3.180 35 Q HA 0.171 4.511 4.340 -0.000 0.000 0.317 35 Q C -2.046 173.969 176.000 0.025 0.000 0.824 35 Q CA -1.407 54.413 55.803 0.028 0.000 0.926 35 Q CB 0.810 29.566 28.738 0.030 0.000 1.487 35 Q HN 0.317 nan 8.270 nan 0.000 0.389 36 P HA -0.205 nan 4.420 nan 0.000 0.218 36 P C 0.721 178.020 177.300 -0.001 0.000 1.150 36 P CA 1.550 64.661 63.100 0.017 0.000 0.841 36 P CB 0.523 32.232 31.700 0.015 0.000 0.784 37 E N -2.520 117.673 120.200 -0.010 0.000 2.498 37 E HA 0.123 4.473 4.350 -0.000 0.000 0.203 37 E C 1.394 177.976 176.600 -0.030 0.000 1.013 37 E CA -0.225 56.154 56.400 -0.036 0.000 0.927 37 E CB -0.810 28.864 29.700 -0.043 0.000 1.012 37 E HN 0.023 nan 8.360 nan 0.000 0.482 38 L N 0.082 121.303 121.223 -0.005 0.000 2.081 38 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 38 L C 1.099 177.975 176.870 0.010 0.000 1.080 38 L CA 1.580 56.425 54.840 0.009 0.000 0.754 38 L CB 0.090 42.164 42.059 0.025 0.000 0.893 38 L HN 0.201 nan 8.230 nan 0.000 0.433 39 L N -0.641 120.583 121.223 0.001 0.000 3.017 39 L HA 0.147 4.487 4.340 -0.000 0.000 0.255 39 L C 0.499 177.352 176.870 -0.027 0.000 1.247 39 L CA -0.331 54.512 54.840 0.004 0.000 1.038 39 L CB -0.143 41.924 42.059 0.014 0.000 1.380 39 L HN 0.071 nan 8.230 nan 0.000 0.548 40 K N 0.375 120.728 120.400 -0.078 0.000 2.489 40 K HA -0.034 4.286 4.320 -0.000 0.000 0.278 40 K C 0.363 176.880 176.600 -0.138 0.000 1.000 40 K CA 0.579 56.749 56.287 -0.196 0.000 1.012 40 K CB 0.136 32.426 32.500 -0.349 0.000 0.903 40 K HN 0.301 nan 8.250 nan 0.000 0.485 41 H N -0.434 118.634 119.070 -0.003 0.000 3.642 41 H HA -0.162 4.394 4.556 -0.000 0.000 0.185 41 H C -0.405 174.923 175.328 0.000 0.000 0.992 41 H CA 0.829 56.877 56.048 -0.000 0.000 1.216 41 H CB -0.534 29.232 29.762 0.008 0.000 1.055 41 H HN 0.446 nan 8.280 nan 0.000 0.351 42 K N 1.560 122.015 120.400 0.091 0.000 2.185 42 K HA 0.507 4.827 4.320 -0.000 0.000 0.271 42 K C 0.044 176.661 176.600 0.029 0.000 1.013 42 K CA -0.376 55.945 56.287 0.056 0.000 0.943 42 K CB 1.884 34.406 32.500 0.036 0.000 0.998 42 K HN -0.005 nan 8.250 nan 0.000 0.468 43 V N 4.283 124.213 119.914 0.026 0.000 2.444 43 V HA 0.440 4.560 4.120 -0.000 0.000 0.294 43 V C -0.009 176.091 176.094 0.009 0.000 1.022 43 V CA -0.772 61.536 62.300 0.014 0.000 0.850 43 V CB 1.341 33.181 31.823 0.028 0.000 0.992 43 V HN 0.557 nan 8.190 nan 0.000 0.426 44 I N 3.852 124.417 120.570 -0.008 0.000 2.378 44 I HA 0.693 4.863 4.170 -0.000 0.000 0.291 44 I C 0.476 176.575 176.117 -0.030 0.000 0.992 44 I CA -0.607 60.680 61.300 -0.021 0.000 1.154 44 I CB 1.934 39.918 38.000 -0.026 0.000 1.315 44 I HN 0.678 nan 8.210 nan 0.000 0.448 45 A N 4.266 127.057 122.820 -0.048 0.000 2.289 45 A HA 0.455 4.775 4.320 -0.000 0.000 0.298 45 A C 0.067 177.576 177.584 -0.126 0.000 1.208 45 A CA -0.267 51.724 52.037 -0.077 0.000 0.845 45 A CB 0.805 19.762 19.000 -0.071 0.000 1.125 45 A HN 0.619 nan 8.150 nan 0.000 0.517 46 S N 2.100 117.728 115.700 -0.119 0.000 2.567 46 S HA 0.336 4.806 4.470 -0.000 0.000 0.262 46 S C -0.646 173.853 174.600 -0.167 0.000 1.237 46 S CA -0.488 57.687 58.200 -0.041 0.000 1.093 46 S CB -0.704 62.539 63.200 0.072 0.000 1.095 46 S HN 0.698 nan 8.310 nan 0.000 0.489 47 C N 6.117 125.208 119.300 -0.348 0.000 2.168 47 C HA 0.481 4.941 4.460 -0.000 0.000 0.333 47 C C -0.386 174.349 174.990 -0.425 0.000 1.106 47 C CA -0.812 57.791 59.018 -0.693 0.000 1.574 47 C CB -2.043 25.342 27.740 -0.592 0.000 2.055 47 C HN 0.763 nan 8.230 nan 0.000 0.473 48 F N 2.417 122.193 119.950 -0.290 0.000 2.361 48 F HA 0.376 4.902 4.527 -0.000 0.000 0.364 48 F C 0.534 176.364 175.800 0.050 0.000 1.120 48 F CA -0.836 57.155 58.000 -0.016 0.000 1.102 48 F CB 0.464 39.470 39.000 0.009 0.000 1.183 48 F HN 0.519 nan 8.300 nan 0.000 0.476 49 F N 1.264 121.352 119.950 0.229 0.000 2.645 49 F HA 0.225 4.752 4.527 -0.000 0.000 0.300 49 F C 0.568 176.389 175.800 0.035 0.000 1.115 49 F CA -0.033 58.058 58.000 0.150 0.000 1.355 49 F CB 0.072 39.102 39.000 0.050 0.000 1.026 49 F HN 0.395 nan 8.300 nan 0.000 0.536 50 E N 0.006 120.364 120.200 0.264 0.000 2.390 50 E HA 0.603 4.953 4.350 -0.000 0.000 0.280 50 E C -0.842 175.880 176.600 0.203 0.000 0.992 50 E CA -0.997 55.505 56.400 0.169 0.000 0.790 50 E CB 1.656 31.422 29.700 0.112 0.000 1.248 50 E HN -0.021 nan 8.360 nan 0.000 0.447 51 A N 1.798 124.692 122.820 0.123 0.000 2.613 51 A HA 0.358 4.678 4.320 -0.000 0.000 0.230 51 A C 0.017 177.662 177.584 0.103 0.000 1.051 51 A CA 1.146 53.237 52.037 0.091 0.000 0.754 51 A CB 0.273 19.306 19.000 0.056 0.000 0.979 51 A HN 0.421 nan 8.150 nan 0.000 0.510 52 S N -0.409 115.307 115.700 0.027 0.000 2.614 52 S HA 0.586 5.056 4.470 -0.000 0.000 0.280 52 S C 0.239 174.789 174.600 -0.083 0.000 1.111 52 S CA 0.140 58.326 58.200 -0.022 0.000 0.847 52 S CB 0.983 64.123 63.200 -0.101 0.000 1.079 52 S HN 0.992 nan 8.310 nan 0.000 0.452 53 T N 2.620 117.144 114.554 -0.050 0.000 3.408 53 T HA 0.218 4.568 4.350 -0.000 0.000 0.273 53 T C 1.613 176.290 174.700 -0.039 0.000 0.983 53 T CA -0.115 61.953 62.100 -0.053 0.000 1.087 53 T CB -0.174 68.683 68.868 -0.018 0.000 1.170 53 T HN 0.450 nan 8.240 nan 0.000 0.456 54 R N 1.187 121.695 120.500 0.013 0.000 2.055 54 R HA 0.056 4.396 4.340 -0.000 0.000 0.228 54 R C 2.603 178.931 176.300 0.047 0.000 1.143 54 R CA 1.906 58.027 56.100 0.035 0.000 0.945 54 R CB -0.617 29.731 30.300 0.080 0.000 0.841 54 R HN 0.221 nan 8.270 nan 0.000 0.429 55 T N 0.563 115.189 114.554 0.120 0.000 2.684 55 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 55 T C 1.788 176.610 174.700 0.203 0.000 1.036 55 T CA 1.486 63.733 62.100 0.246 0.000 1.148 55 T CB -0.175 68.976 68.868 0.472 0.000 0.863 55 T HN 0.238 nan 8.240 nan 0.000 0.436 56 R N 0.441 120.819 120.500 -0.203 0.000 2.057 56 R HA 0.073 4.413 4.340 -0.000 0.000 0.229 56 R C 2.467 178.696 176.300 -0.118 0.000 1.136 56 R CA 0.966 56.762 56.100 -0.505 0.000 0.952 56 R CB -0.330 29.276 30.300 -1.156 0.000 0.848 56 R HN 0.338 nan 8.270 nan 0.000 0.430 57 L N 0.763 121.921 121.223 -0.108 0.000 2.083 57 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 57 L C 2.724 179.590 176.870 -0.007 0.000 1.083 57 L CA 1.610 56.418 54.840 -0.053 0.000 0.752 57 L CB -0.746 41.273 42.059 -0.067 0.000 0.899 57 L HN 0.385 nan 8.230 nan 0.000 0.433 58 S N 0.061 115.757 115.700 -0.006 0.000 2.348 58 S HA -0.232 4.238 4.470 -0.000 0.000 0.221 58 S C 2.037 176.642 174.600 0.009 0.000 1.033 58 S CA 0.999 59.174 58.200 -0.041 0.000 1.010 58 S CB -1.045 62.098 63.200 -0.096 0.000 0.891 58 S HN 0.312 nan 8.310 nan 0.000 0.442 59 F N 2.364 122.337 119.950 0.038 0.000 2.091 59 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 59 F C 2.833 178.679 175.800 0.076 0.000 1.103 59 F CA 1.952 59.997 58.000 0.076 0.000 1.228 59 F CB -0.166 38.926 39.000 0.153 0.000 0.984 59 F HN 0.322 nan 8.300 nan 0.000 0.477 60 E N -1.124 119.251 120.200 0.292 0.000 2.208 60 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 60 E C 1.999 178.751 176.600 0.254 0.000 0.988 60 E CA 1.463 58.009 56.400 0.244 0.000 0.828 60 E CB -0.209 29.584 29.700 0.155 0.000 0.763 60 E HN 0.339 nan 8.360 nan 0.000 0.478 61 T N 0.539 115.170 114.554 0.128 0.000 2.821 61 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 61 T C 2.112 176.883 174.700 0.118 0.000 1.046 61 T CA 1.248 63.392 62.100 0.072 0.000 1.139 61 T CB -0.090 68.773 68.868 -0.009 0.000 0.871 61 T HN 0.061 nan 8.240 nan 0.000 0.454 62 S N 1.309 117.071 115.700 0.104 0.000 2.368 62 S HA -0.020 4.450 4.470 -0.000 0.000 0.225 62 S C 2.097 176.776 174.600 0.132 0.000 1.030 62 S CA 1.090 59.345 58.200 0.093 0.000 0.999 62 S CB -0.386 62.855 63.200 0.068 0.000 0.844 62 S HN 0.380 nan 8.310 nan 0.000 0.459 63 M N 0.731 120.434 119.600 0.173 0.000 2.106 63 M HA -0.168 4.311 4.480 -0.000 0.000 0.259 63 M C 2.119 178.429 176.300 0.016 0.000 1.068 63 M CA 1.501 56.857 55.300 0.093 0.000 1.100 63 M CB -0.473 32.174 32.600 0.078 0.000 1.351 63 M HN 0.402 nan 8.290 nan 0.000 0.404 64 H N -0.707 118.391 119.070 0.047 0.000 2.395 64 H HA 0.016 4.572 4.556 -0.000 0.000 0.299 64 H C 1.913 177.257 175.328 0.028 0.000 1.070 64 H CA 0.970 57.036 56.048 0.031 0.000 1.356 64 H CB -0.026 29.749 29.762 0.022 0.000 1.401 64 H HN 0.258 nan 8.280 nan 0.000 0.524 65 R N 0.901 121.487 120.500 0.143 0.000 2.341 65 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 65 R C 1.335 177.675 176.300 0.067 0.000 1.082 65 R CA 0.380 56.536 56.100 0.094 0.000 1.017 65 R CB -0.138 30.213 30.300 0.085 0.000 0.860 65 R HN 0.362 nan 8.270 nan 0.000 0.473 66 L N -0.845 120.408 121.223 0.051 0.000 2.857 66 L HA 0.263 4.603 4.340 -0.000 0.000 0.249 66 L C 0.879 177.747 176.870 -0.003 0.000 1.172 66 L CA 0.104 54.962 54.840 0.029 0.000 0.980 66 L CB 0.577 42.659 42.059 0.039 0.000 1.299 66 L HN 0.236 nan 8.230 nan 0.000 0.535 67 G N 0.718 109.508 108.800 -0.016 0.000 2.153 67 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 67 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 67 G C 0.360 175.209 174.900 -0.086 0.000 0.994 67 G CA 0.260 45.329 45.100 -0.052 0.000 0.698 67 G HN 0.507 nan 8.290 nan 0.000 0.521 68 A N -0.512 122.247 122.820 -0.102 0.000 2.264 68 A HA 0.879 5.199 4.320 -0.000 0.000 0.304 68 A C 0.633 178.083 177.584 -0.223 0.000 1.100 68 A CA 0.604 52.574 52.037 -0.111 0.000 0.839 68 A CB 1.003 19.963 19.000 -0.065 0.000 1.121 68 A HN 0.946 nan 8.150 nan 0.000 0.496 69 S N -1.053 114.556 115.700 -0.151 0.000 2.593 69 S HA 0.648 5.118 4.470 -0.000 0.000 0.297 69 S C -0.699 173.827 174.600 -0.124 0.000 1.112 69 S CA -0.495 57.604 58.200 -0.167 0.000 1.043 69 S CB 1.567 64.735 63.200 -0.053 0.000 1.054 69 S HN 0.633 nan 8.310 nan 0.000 0.516 70 V N 2.038 121.908 119.914 -0.073 0.000 2.638 70 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 70 V C -0.544 175.571 176.094 0.034 0.000 1.052 70 V CA -0.648 61.658 62.300 0.009 0.000 0.885 70 V CB 1.756 33.631 31.823 0.087 0.000 0.999 70 V HN 0.620 nan 8.190 nan 0.000 0.424 71 V N 3.259 123.182 119.914 0.016 0.000 2.864 71 V HA 1.072 5.192 4.120 -0.000 0.000 0.314 71 V C 0.328 176.414 176.094 -0.014 0.000 1.073 71 V CA 0.661 62.971 62.300 0.017 0.000 0.956 71 V CB 1.981 33.819 31.823 0.025 0.000 1.023 71 V HN 1.266 nan 8.190 nan 0.000 0.435 72 G N 3.641 112.430 108.800 -0.018 0.000 2.315 72 G HA2 0.476 4.436 3.960 -0.000 0.000 0.294 72 G HA3 0.476 4.436 3.960 -0.000 0.000 0.294 72 G C -1.707 173.162 174.900 -0.052 0.000 1.300 72 G CA -0.185 44.840 45.100 -0.126 0.000 0.843 72 G HN 1.386 nan 8.290 nan 0.000 0.527 73 F N -0.725 119.215 119.950 -0.016 0.000 2.569 73 F HA 0.755 5.282 4.527 -0.000 0.000 0.312 73 F C 0.586 176.362 175.800 -0.039 0.000 1.109 73 F CA -0.907 57.064 58.000 -0.048 0.000 0.919 73 F CB 1.885 40.828 39.000 -0.095 0.000 1.211 73 F HN 0.646 nan 8.300 nan 0.000 0.446 74 S N -0.249 115.575 115.700 0.207 0.000 2.557 74 S HA 0.265 4.735 4.470 -0.000 0.000 0.223 74 S C -0.536 174.155 174.600 0.152 0.000 0.969 74 S CA -0.058 58.227 58.200 0.141 0.000 0.927 74 S CB -0.282 62.940 63.200 0.038 0.000 0.806 74 S HN 0.722 nan 8.310 nan 0.000 0.489 75 D N 1.289 121.793 120.400 0.174 0.000 2.891 75 D HA 0.226 4.866 4.640 -0.000 0.000 0.224 75 D C 0.272 176.523 176.300 -0.083 0.000 1.321 75 D CA -0.158 53.878 54.000 0.061 0.000 0.929 75 D CB 2.220 43.036 40.800 0.026 0.000 1.551 75 D HN 0.108 nan 8.370 nan 0.000 0.574 76 S N 1.750 117.377 115.700 -0.122 0.000 2.603 76 S HA 0.127 4.597 4.470 -0.000 0.000 0.220 76 S C 1.508 176.010 174.600 -0.162 0.000 0.967 76 S CA 0.623 58.653 58.200 -0.284 0.000 0.920 76 S CB 0.232 63.474 63.200 0.070 0.000 0.773 76 S HN 0.399 nan 8.310 nan 0.000 0.529 77 A N 3.331 126.093 122.820 -0.096 0.000 2.021 77 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 77 A C 2.021 179.558 177.584 -0.078 0.000 1.163 77 A CA 0.902 52.903 52.037 -0.061 0.000 0.676 77 A CB -0.570 18.413 19.000 -0.029 0.000 0.818 77 A HN 0.853 nan 8.150 nan 0.000 0.453 78 N N 0.208 118.845 118.700 -0.104 0.000 2.336 78 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 78 N C 0.755 176.188 175.510 -0.129 0.000 1.113 78 N CA 0.798 53.796 53.050 -0.087 0.000 0.858 78 N CB -0.225 38.233 38.487 -0.047 0.000 0.970 78 N HN 0.480 nan 8.380 nan 0.000 0.471 79 T N -1.797 112.616 114.554 -0.234 0.000 2.793 79 T HA 0.186 4.536 4.350 -0.000 0.000 0.299 79 T C 0.994 175.616 174.700 -0.130 0.000 1.038 79 T CA -0.380 61.561 62.100 -0.266 0.000 0.948 79 T CB 1.046 69.603 68.868 -0.518 0.000 1.231 79 T HN -0.099 nan 8.240 nan 0.000 0.538 80 S N -0.255 115.391 115.700 -0.090 0.000 2.540 80 S HA 0.214 4.684 4.470 -0.000 0.000 0.218 80 S C 1.356 175.937 174.600 -0.032 0.000 0.977 80 S CA -0.433 57.742 58.200 -0.042 0.000 0.918 80 S CB -0.463 62.728 63.200 -0.015 0.000 0.806 80 S HN 0.580 nan 8.310 nan 0.000 0.496 81 L N 1.508 122.708 121.223 -0.039 0.000 2.071 81 L HA 0.311 4.651 4.340 -0.000 0.000 0.201 81 L C 2.040 178.907 176.870 -0.006 0.000 1.076 81 L CA 1.427 56.267 54.840 -0.001 0.000 0.755 81 L CB -0.752 41.347 42.059 0.068 0.000 0.915 81 L HN 0.301 nan 8.230 nan 0.000 0.445 82 G N -1.076 107.712 108.800 -0.021 0.000 2.956 82 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.207 82 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.207 82 G C 1.296 176.183 174.900 -0.023 0.000 1.162 82 G CA 0.221 45.312 45.100 -0.016 0.000 0.796 82 G HN 0.231 nan 8.290 nan 0.000 0.527 83 K N -0.114 120.270 120.400 -0.027 0.000 2.509 83 K HA 0.134 4.454 4.320 -0.000 0.000 0.205 83 K C 1.564 178.154 176.600 -0.017 0.000 1.336 83 K CA 0.231 56.505 56.287 -0.022 0.000 0.912 83 K CB 0.179 32.663 32.500 -0.027 0.000 1.568 83 K HN 0.121 nan 8.250 nan 0.000 0.475 84 K N 0.934 121.324 120.400 -0.018 0.000 2.417 84 K HA 0.141 4.461 4.320 -0.000 0.000 0.196 84 K C 0.426 177.017 176.600 -0.015 0.000 1.023 84 K CA 0.482 56.761 56.287 -0.014 0.000 1.122 84 K CB 0.491 32.984 32.500 -0.012 0.000 0.850 84 K HN 0.399 nan 8.250 nan 0.000 0.521 85 G N 2.823 111.613 108.800 -0.016 0.000 2.273 85 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.280 85 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.280 85 G C -0.266 174.620 174.900 -0.023 0.000 1.047 85 G CA 0.318 45.407 45.100 -0.017 0.000 0.869 85 G HN 0.510 nan 8.290 nan 0.000 0.502 86 E N 0.499 120.685 120.200 -0.022 0.000 2.373 86 E HA 0.492 4.841 4.350 -0.000 0.000 0.263 86 E C 1.368 177.940 176.600 -0.047 0.000 1.073 86 E CA 0.123 56.504 56.400 -0.032 0.000 0.894 86 E CB 0.472 30.159 29.700 -0.022 0.000 1.008 86 E HN 0.434 nan 8.360 nan 0.000 0.420 87 T N 1.302 115.808 114.554 -0.079 0.000 2.882 87 T HA 0.066 4.416 4.350 -0.000 0.000 0.287 87 T C 1.113 175.730 174.700 -0.138 0.000 1.014 87 T CA -0.740 61.289 62.100 -0.118 0.000 1.049 87 T CB 0.990 69.760 68.868 -0.164 0.000 1.001 87 T HN 0.522 nan 8.240 nan 0.000 0.525 88 L N 2.029 123.146 121.223 -0.176 0.000 2.083 88 L HA 0.103 4.443 4.340 -0.000 0.000 0.209 88 L C 2.726 179.449 176.870 -0.244 0.000 1.083 88 L CA 2.240 56.963 54.840 -0.195 0.000 0.752 88 L CB -1.359 40.509 42.059 -0.319 0.000 0.899 88 L HN 0.944 nan 8.230 nan 0.000 0.433 89 A N -0.537 122.033 122.820 -0.417 0.000 1.892 89 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 89 A C 2.004 179.298 177.584 -0.483 0.000 1.188 89 A CA 2.154 53.710 52.037 -0.802 0.000 0.631 89 A CB -0.967 17.216 19.000 -1.360 0.000 0.822 89 A HN 0.529 nan 8.150 nan 0.000 0.447 90 D N -0.889 119.326 120.400 -0.309 0.000 2.178 90 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 90 D C 2.035 178.281 176.300 -0.090 0.000 0.974 90 D CA 1.679 55.581 54.000 -0.164 0.000 0.841 90 D CB -0.540 40.190 40.800 -0.117 0.000 0.953 90 D HN 0.439 nan 8.370 nan 0.000 0.478 91 T N 1.021 115.539 114.554 -0.060 0.000 2.737 91 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 91 T C 1.907 176.623 174.700 0.026 0.000 1.038 91 T CA 0.392 62.509 62.100 0.030 0.000 1.144 91 T CB 0.032 68.985 68.868 0.141 0.000 0.866 91 T HN 0.078 nan 8.240 nan 0.000 0.434 92 I N 1.763 122.336 120.570 0.004 0.000 2.361 92 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 92 I C 2.538 178.654 176.117 -0.001 0.000 1.133 92 I CA 1.046 62.358 61.300 0.020 0.000 1.413 92 I CB -1.451 36.573 38.000 0.041 0.000 1.073 92 I HN 0.178 nan 8.210 nan 0.000 0.424 93 S N 1.247 116.940 115.700 -0.011 0.000 2.344 93 S HA -0.145 4.325 4.470 -0.000 0.000 0.217 93 S C 2.232 176.772 174.600 -0.099 0.000 1.033 93 S CA 1.839 60.033 58.200 -0.009 0.000 1.017 93 S CB -0.748 62.458 63.200 0.010 0.000 0.941 93 S HN 0.460 nan 8.310 nan 0.000 0.430 94 V N 0.953 120.784 119.914 -0.139 0.000 2.392 94 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 94 V C 1.905 177.625 176.094 -0.623 0.000 1.059 94 V CA 1.712 63.842 62.300 -0.283 0.000 1.051 94 V CB -1.051 30.662 31.823 -0.184 0.000 0.658 94 V HN 0.474 nan 8.190 nan 0.000 0.455 95 I N 2.234 122.558 120.570 -0.409 0.000 2.353 95 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 95 I C 2.712 178.657 176.117 -0.286 0.000 1.119 95 I CA 1.667 62.724 61.300 -0.405 0.000 1.417 95 I CB -0.475 37.473 38.000 -0.088 0.000 1.078 95 I HN 0.537 nan 8.210 nan 0.000 0.421 96 S N -0.312 115.286 115.700 -0.169 0.000 2.595 96 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 96 S C 1.761 176.307 174.600 -0.089 0.000 0.974 96 S CA 1.159 59.308 58.200 -0.086 0.000 0.942 96 S CB -1.012 62.168 63.200 -0.034 0.000 0.766 96 S HN 0.607 nan 8.310 nan 0.000 0.536 97 T N -2.650 111.788 114.554 -0.193 0.000 3.081 97 T HA 0.220 4.570 4.350 -0.000 0.000 0.250 97 T C 1.103 175.865 174.700 0.105 0.000 1.100 97 T CA -0.138 61.922 62.100 -0.066 0.000 1.038 97 T CB -0.367 68.466 68.868 -0.059 0.000 0.962 97 T HN 0.423 nan 8.240 nan 0.000 0.516 98 Y N 1.966 122.277 120.300 0.020 0.000 2.464 98 Y HA 0.449 4.999 4.550 -0.000 0.000 0.288 98 Y C 1.471 177.376 175.900 0.009 0.000 1.133 98 Y CA -1.118 56.991 58.100 0.015 0.000 1.223 98 Y CB -0.607 37.864 38.460 0.018 0.000 1.187 98 Y HN 0.264 nan 8.280 nan 0.000 0.539 99 V N -1.899 118.120 119.914 0.175 0.000 3.211 99 V HA 0.445 4.565 4.120 -0.000 0.000 0.319 99 V C 0.494 176.618 176.094 0.049 0.000 1.096 99 V CA -0.661 61.694 62.300 0.092 0.000 1.029 99 V CB 1.685 33.548 31.823 0.066 0.000 1.137 99 V HN 0.019 nan 8.190 nan 0.000 0.453 100 D N 0.616 121.034 120.400 0.031 0.000 2.338 100 D HA 0.457 5.096 4.640 -0.000 0.000 0.208 100 D C 0.562 176.861 176.300 -0.002 0.000 0.997 100 D CA 1.474 55.484 54.000 0.016 0.000 0.880 100 D CB 1.214 42.027 40.800 0.021 0.000 0.980 100 D HN 0.947 nan 8.370 nan 0.000 0.509 101 A N 0.315 123.130 122.820 -0.008 0.000 2.589 101 A HA 0.625 4.944 4.320 -0.000 0.000 0.296 101 A C -1.521 176.036 177.584 -0.045 0.000 1.062 101 A CA -0.577 51.446 52.037 -0.023 0.000 0.686 101 A CB 1.196 20.180 19.000 -0.027 0.000 1.282 101 A HN -0.004 nan 8.150 nan 0.000 0.404 102 I N 1.447 121.982 120.570 -0.058 0.000 2.406 102 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 102 I C -0.642 175.383 176.117 -0.154 0.000 0.999 102 I CA -0.894 60.350 61.300 -0.093 0.000 1.124 102 I CB 2.057 40.019 38.000 -0.065 0.000 1.289 102 I HN 0.339 nan 8.210 nan 0.000 0.441 103 V N 7.208 126.983 119.914 -0.233 0.000 2.394 103 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 103 V C -0.099 175.781 176.094 -0.357 0.000 1.031 103 V CA -0.425 61.658 62.300 -0.362 0.000 0.881 103 V CB 1.547 33.035 31.823 -0.558 0.000 0.982 103 V HN 0.704 nan 8.190 nan 0.000 0.451 104 M N 5.987 125.384 119.600 -0.339 0.000 2.386 104 M HA 0.631 5.111 4.480 -0.000 0.000 0.293 104 M C -1.152 174.934 176.300 -0.357 0.000 1.120 104 M CA -0.737 54.372 55.300 -0.318 0.000 0.909 104 M CB 2.317 34.870 32.600 -0.078 0.000 1.661 104 M HN 0.697 nan 8.290 nan 0.000 0.452 105 R N 3.495 123.746 120.500 -0.414 0.000 2.513 105 R HA 0.499 4.839 4.340 -0.000 0.000 0.301 105 R C -1.924 174.459 176.300 0.138 0.000 0.968 105 R CA -0.436 55.542 56.100 -0.204 0.000 0.872 105 R CB 1.363 31.477 30.300 -0.309 0.000 1.177 105 R HN 0.888 nan 8.270 nan 0.000 0.444 106 H N 4.136 123.219 119.070 0.021 0.000 2.821 106 H HA 0.322 4.878 4.556 -0.000 0.000 0.373 106 H C -2.273 173.061 175.328 0.011 0.000 1.165 106 H CA -2.127 53.934 56.048 0.022 0.000 1.154 106 H CB 2.908 32.591 29.762 -0.132 0.000 1.765 106 H HN 0.388 nan 8.280 nan 0.000 0.549 107 P HA -0.112 nan 4.420 nan 0.000 0.216 107 P C -0.109 177.201 177.300 0.017 0.000 1.153 107 P CA 1.290 64.274 63.100 -0.193 0.000 0.848 107 P CB 0.301 31.813 31.700 -0.314 0.000 0.787 108 Q N 0.033 119.981 119.800 0.248 0.000 2.266 108 Q HA 0.341 4.681 4.340 -0.000 0.000 0.261 108 Q C -0.573 175.500 176.000 0.122 0.000 0.985 108 Q CA -0.809 55.097 55.803 0.172 0.000 0.873 108 Q CB 1.090 29.902 28.738 0.123 0.000 1.306 108 Q HN 0.024 nan 8.270 nan 0.000 0.447 109 E N 0.585 120.828 120.200 0.071 0.000 2.414 109 E HA 0.299 4.649 4.350 -0.000 0.000 0.263 109 E C 0.814 177.415 176.600 0.001 0.000 1.000 109 E CA 1.565 57.992 56.400 0.045 0.000 0.914 109 E CB 0.128 29.858 29.700 0.049 0.000 0.948 109 E HN 0.954 nan 8.360 nan 0.000 0.444 110 G N 1.859 110.649 108.800 -0.015 0.000 2.195 110 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.246 110 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.246 110 G C 1.146 175.996 174.900 -0.083 0.000 0.984 110 G CA 0.545 45.618 45.100 -0.045 0.000 0.633 110 G HN 0.681 nan 8.290 nan 0.000 0.525 111 A N 0.581 123.333 122.820 -0.114 0.000 1.883 111 A HA 0.334 4.653 4.320 -0.000 0.000 0.217 111 A C 2.862 180.343 177.584 -0.171 0.000 1.186 111 A CA 3.115 55.006 52.037 -0.244 0.000 0.624 111 A CB -0.981 17.784 19.000 -0.391 0.000 0.822 111 A HN 1.835 nan 8.150 nan 0.000 0.444 112 A N -0.314 122.445 122.820 -0.102 0.000 1.858 112 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 112 A C 2.170 179.688 177.584 -0.109 0.000 1.190 112 A CA 2.220 54.201 52.037 -0.092 0.000 0.617 112 A CB -0.546 18.422 19.000 -0.053 0.000 0.827 112 A HN 0.483 nan 8.150 nan 0.000 0.443 113 R N -0.511 119.938 120.500 -0.086 0.000 2.112 113 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 113 R C 1.921 178.165 176.300 -0.093 0.000 1.137 113 R CA 2.041 58.089 56.100 -0.088 0.000 0.944 113 R CB -1.017 29.246 30.300 -0.061 0.000 0.857 113 R HN 0.430 nan 8.270 nan 0.000 0.435 114 L N 0.156 121.342 121.223 -0.062 0.000 2.081 114 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 114 L C 2.110 179.027 176.870 0.078 0.000 1.080 114 L CA 2.283 57.131 54.840 0.013 0.000 0.754 114 L CB -0.922 41.145 42.059 0.014 0.000 0.893 114 L HN 0.338 nan 8.230 nan 0.000 0.433 115 A N -1.382 121.433 122.820 -0.008 0.000 1.969 115 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 115 A C 2.344 179.878 177.584 -0.083 0.000 1.169 115 A CA 1.972 54.015 52.037 0.009 0.000 0.635 115 A CB -1.270 17.692 19.000 -0.063 0.000 0.810 115 A HN 0.628 nan 8.150 nan 0.000 0.445 116 T N -1.882 112.532 114.554 -0.233 0.000 2.881 116 T HA -0.138 4.212 4.350 -0.000 0.000 0.270 116 T C 1.400 175.982 174.700 -0.197 0.000 1.068 116 T CA 1.623 63.490 62.100 -0.387 0.000 1.131 116 T CB -0.395 68.156 68.868 -0.529 0.000 0.871 116 T HN 0.648 nan 8.240 nan 0.000 0.479 117 E N -0.125 119.925 120.200 -0.250 0.000 2.285 117 E HA 0.113 4.463 4.350 -0.000 0.000 0.194 117 E C 0.651 176.809 176.600 -0.736 0.000 0.997 117 E CA 0.648 56.756 56.400 -0.487 0.000 0.845 117 E CB -0.016 29.301 29.700 -0.638 0.000 0.782 117 E HN 0.676 nan 8.360 nan 0.000 0.491 118 F N -0.661 119.249 119.950 -0.066 0.000 2.688 118 F HA 0.115 4.642 4.527 -0.000 0.000 0.310 118 F C 1.700 177.469 175.800 -0.051 0.000 1.098 118 F CA -0.181 57.786 58.000 -0.054 0.000 1.228 118 F CB 0.775 39.739 39.000 -0.061 0.000 1.042 118 F HN -0.090 nan 8.300 nan 0.000 0.557 119 S N -1.056 114.673 115.700 0.047 0.000 2.605 119 S HA 0.482 4.952 4.470 -0.000 0.000 0.217 119 S C 1.530 176.148 174.600 0.030 0.000 0.958 119 S CA 0.223 58.442 58.200 0.033 0.000 0.919 119 S CB -0.478 62.726 63.200 0.007 0.000 0.780 119 S HN 0.524 nan 8.310 nan 0.000 0.507 120 G N 3.719 112.530 108.800 0.018 0.000 2.591 120 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.298 120 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.298 120 G C 0.342 175.260 174.900 0.029 0.000 1.195 120 G CA 0.479 45.587 45.100 0.013 0.000 0.989 120 G HN 0.945 nan 8.290 nan 0.000 0.551 121 N N -0.375 118.333 118.700 0.014 0.000 2.276 121 N HA 0.390 5.130 4.740 -0.000 0.000 0.212 121 N C 0.094 175.601 175.510 -0.004 0.000 1.127 121 N CA 0.325 53.371 53.050 -0.006 0.000 0.834 121 N CB 0.799 39.273 38.487 -0.022 0.000 1.014 121 N HN 0.531 nan 8.380 nan 0.000 0.491 122 V N 2.420 122.359 119.914 0.042 0.000 2.406 122 V HA 0.316 4.435 4.120 -0.000 0.000 0.272 122 V C -1.886 174.289 176.094 0.135 0.000 1.043 122 V CA -1.871 60.454 62.300 0.042 0.000 0.915 122 V CB 0.978 32.817 31.823 0.026 0.000 0.988 122 V HN 0.247 nan 8.190 nan 0.000 0.466 123 P HA 0.157 nan 4.420 nan 0.000 0.271 123 P C -0.715 176.696 177.300 0.185 0.000 1.216 123 P CA 0.089 63.305 63.100 0.192 0.000 0.771 123 P CB 1.234 32.933 31.700 -0.002 0.000 0.864 124 V N 4.883 124.945 119.914 0.247 0.000 2.513 124 V HA 0.294 4.414 4.120 -0.000 0.000 0.299 124 V C 0.295 176.393 176.094 0.006 0.000 1.035 124 V CA -0.621 61.669 62.300 -0.016 0.000 0.889 124 V CB 1.446 33.151 31.823 -0.197 0.000 0.988 124 V HN 0.350 nan 8.190 nan 0.000 0.440 125 L N 3.976 125.174 121.223 -0.042 0.000 2.322 125 L HA 0.497 4.837 4.340 -0.000 0.000 0.281 125 L C 0.101 176.954 176.870 -0.029 0.000 1.014 125 L CA -0.260 54.574 54.840 -0.011 0.000 0.815 125 L CB 1.462 43.498 42.059 -0.039 0.000 1.247 125 L HN 0.555 nan 8.230 nan 0.000 0.421 126 N N 2.024 120.754 118.700 0.049 0.000 2.439 126 N HA 0.303 5.043 4.740 -0.000 0.000 0.243 126 N C 0.519 176.124 175.510 0.159 0.000 1.088 126 N CA 0.009 53.096 53.050 0.062 0.000 0.940 126 N CB 1.422 39.956 38.487 0.079 0.000 1.180 126 N HN 0.710 nan 8.380 nan 0.000 0.505 127 A N 2.355 125.226 122.820 0.085 0.000 2.238 127 A HA 0.438 4.758 4.320 -0.000 0.000 0.208 127 A C 0.805 178.469 177.584 0.132 0.000 1.177 127 A CA 0.424 52.595 52.037 0.223 0.000 0.804 127 A CB -0.673 18.319 19.000 -0.014 0.000 0.823 127 A HN 0.834 nan 8.150 nan 0.000 0.482 128 G N 0.753 109.589 108.800 0.060 0.000 2.944 128 G HA2 0.299 4.259 3.960 -0.000 0.000 0.471 128 G HA3 0.299 4.259 3.960 -0.000 0.000 0.471 128 G C -1.418 173.486 174.900 0.005 0.000 1.388 128 G CA -0.260 44.810 45.100 -0.050 0.000 1.087 128 G HN 0.480 nan 8.290 nan 0.000 0.596 129 D N 1.968 122.395 120.400 0.045 0.000 2.464 129 D HA 0.577 5.217 4.640 -0.000 0.000 0.243 129 D C 1.225 177.572 176.300 0.078 0.000 1.104 129 D CA 0.496 54.535 54.000 0.064 0.000 0.883 129 D CB 0.750 41.576 40.800 0.045 0.000 1.050 129 D HN 1.844 nan 8.370 nan 0.000 0.524 130 G N 3.296 112.142 108.800 0.077 0.000 2.574 130 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.301 130 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.301 130 G C 0.505 175.463 174.900 0.096 0.000 1.166 130 G CA 0.869 46.017 45.100 0.080 0.000 0.971 130 G HN 1.332 nan 8.290 nan 0.000 0.542 131 S N 0.406 116.198 115.700 0.152 0.000 2.843 131 S HA 0.433 4.903 4.470 -0.000 0.000 0.249 131 S C 0.733 175.518 174.600 0.309 0.000 1.047 131 S CA 0.850 59.183 58.200 0.223 0.000 1.042 131 S CB 0.698 64.091 63.200 0.323 0.000 0.936 131 S HN 0.845 nan 8.310 nan 0.000 0.531 132 N N 1.986 120.823 118.700 0.228 0.000 2.288 132 N HA 0.157 4.897 4.740 -0.000 0.000 0.199 132 N C 0.248 175.930 175.510 0.286 0.000 1.043 132 N CA 0.995 54.185 53.050 0.233 0.000 0.947 132 N CB 0.128 38.685 38.487 0.116 0.000 1.140 132 N HN 0.355 nan 8.380 nan 0.000 0.490 133 Q N -1.082 118.834 119.800 0.193 0.000 2.416 133 Q HA 0.239 4.579 4.340 -0.000 0.000 0.279 133 Q C -1.189 174.951 176.000 0.233 0.000 1.101 133 Q CA -0.486 55.440 55.803 0.204 0.000 0.830 133 Q CB 1.910 30.740 28.738 0.154 0.000 1.402 133 Q HN 0.537 nan 8.270 nan 0.000 0.445 134 H N 0.534 119.675 119.070 0.118 0.000 2.803 134 H HA 0.257 4.813 4.556 -0.000 0.000 0.219 134 H C -2.325 173.076 175.328 0.123 0.000 1.379 134 H CA -1.945 54.177 56.048 0.124 0.000 1.415 134 H CB 0.471 30.306 29.762 0.122 0.000 1.943 134 H HN 0.249 nan 8.280 nan 0.000 0.569 135 P HA -0.204 nan 4.420 nan 0.000 0.216 135 P C 1.746 179.081 177.300 0.058 0.000 1.157 135 P CA 2.701 65.874 63.100 0.121 0.000 0.880 135 P CB 0.098 31.879 31.700 0.136 0.000 0.791 136 T N -3.157 111.439 114.554 0.070 0.000 2.881 136 T HA -0.209 4.141 4.350 -0.000 0.000 0.270 136 T C 2.012 176.633 174.700 -0.131 0.000 1.068 136 T CA 1.294 63.397 62.100 0.004 0.000 1.131 136 T CB -0.841 68.069 68.868 0.069 0.000 0.871 136 T HN -0.002 nan 8.240 nan 0.000 0.479 137 Q N 1.311 120.900 119.800 -0.351 0.000 2.046 137 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 137 Q C 2.370 178.317 176.000 -0.088 0.000 0.975 137 Q CA 2.289 57.872 55.803 -0.366 0.000 0.836 137 Q CB -1.060 27.267 28.738 -0.685 0.000 0.896 137 Q HN 0.573 nan 8.270 nan 0.000 0.428 138 T N 0.826 115.352 114.554 -0.045 0.000 2.833 138 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 138 T C 1.650 176.387 174.700 0.061 0.000 1.054 138 T CA 1.217 63.333 62.100 0.028 0.000 1.135 138 T CB -0.195 68.700 68.868 0.044 0.000 0.869 138 T HN 0.215 nan 8.240 nan 0.000 0.466 139 L N 0.839 122.090 121.223 0.047 0.000 2.056 139 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 139 L C 2.383 179.306 176.870 0.088 0.000 1.078 139 L CA 0.948 55.828 54.840 0.067 0.000 0.749 139 L CB -0.635 41.446 42.059 0.036 0.000 0.901 139 L HN 0.322 nan 8.230 nan 0.000 0.433 140 L N -2.741 118.518 121.223 0.059 0.000 2.291 140 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 140 L C 1.720 178.712 176.870 0.203 0.000 1.120 140 L CA 1.579 56.488 54.840 0.116 0.000 0.799 140 L CB -0.712 41.375 42.059 0.047 0.000 0.925 140 L HN 0.039 nan 8.230 nan 0.000 0.446 141 D N 0.485 120.986 120.400 0.167 0.000 2.120 141 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 141 D C 2.346 178.744 176.300 0.164 0.000 0.972 141 D CA 1.555 55.672 54.000 0.195 0.000 0.837 141 D CB -0.204 40.704 40.800 0.181 0.000 0.989 141 D HN 0.386 nan 8.370 nan 0.000 0.469 142 L N -0.043 121.260 121.223 0.133 0.000 2.042 142 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 142 L C 2.428 179.382 176.870 0.141 0.000 1.076 142 L CA 0.921 55.812 54.840 0.085 0.000 0.749 142 L CB -0.430 41.682 42.059 0.090 0.000 0.893 142 L HN 0.006 nan 8.230 nan 0.000 0.432 143 F N 0.658 120.638 119.950 0.050 0.000 2.134 143 F HA -0.249 4.277 4.527 -0.000 0.000 0.299 143 F C 2.516 178.366 175.800 0.084 0.000 1.097 143 F CA 1.876 59.918 58.000 0.069 0.000 1.264 143 F CB -0.044 39.016 39.000 0.101 0.000 1.001 143 F HN -0.041 nan 8.300 nan 0.000 0.479 144 T N 1.173 115.836 114.554 0.182 0.000 2.821 144 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 144 T C 2.007 176.713 174.700 0.011 0.000 1.046 144 T CA 1.638 63.810 62.100 0.121 0.000 1.139 144 T CB -0.336 68.690 68.868 0.262 0.000 0.871 144 T HN 0.252 nan 8.240 nan 0.000 0.454 145 I N 0.877 121.455 120.570 0.012 0.000 2.202 145 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 145 I C 2.920 178.965 176.117 -0.119 0.000 1.091 145 I CA 1.251 62.520 61.300 -0.052 0.000 1.368 145 I CB -0.432 37.541 38.000 -0.045 0.000 1.058 145 I HN 0.269 nan 8.210 nan 0.000 0.410 146 Q N 1.442 121.167 119.800 -0.125 0.000 2.050 146 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 146 Q C 1.958 177.842 176.000 -0.194 0.000 0.980 146 Q CA 2.278 57.990 55.803 -0.150 0.000 0.840 146 Q CB -0.055 28.618 28.738 -0.108 0.000 0.898 146 Q HN 0.698 nan 8.270 nan 0.000 0.424 147 E N -0.650 119.381 120.200 -0.282 0.000 2.418 147 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 147 E C 1.441 177.923 176.600 -0.196 0.000 1.026 147 E CA 1.435 57.667 56.400 -0.281 0.000 0.862 147 E CB -0.029 29.413 29.700 -0.430 0.000 0.799 147 E HN 0.403 nan 8.360 nan 0.000 0.518 148 T N -2.708 111.719 114.554 -0.211 0.000 3.023 148 T HA 0.093 4.443 4.350 -0.000 0.000 0.249 148 T C 1.687 176.250 174.700 -0.228 0.000 1.050 148 T CA -0.163 61.768 62.100 -0.281 0.000 1.088 148 T CB 0.349 68.927 68.868 -0.482 0.000 0.946 148 T HN -0.031 nan 8.240 nan 0.000 0.480 149 Q N 0.597 120.289 119.800 -0.180 0.000 2.247 149 Q HA 0.333 4.673 4.340 -0.000 0.000 0.211 149 Q C 1.680 177.608 176.000 -0.120 0.000 0.861 149 Q CA 0.574 56.291 55.803 -0.143 0.000 0.949 149 Q CB 0.648 29.307 28.738 -0.131 0.000 1.115 149 Q HN 0.724 nan 8.270 nan 0.000 0.507 150 G N 3.027 111.754 108.800 -0.122 0.000 2.200 150 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.268 150 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.268 150 G C 0.224 175.073 174.900 -0.084 0.000 0.986 150 G CA 1.231 46.273 45.100 -0.096 0.000 0.677 150 G HN 0.436 nan 8.290 nan 0.000 0.532 151 R N -2.160 118.277 120.500 -0.104 0.000 2.692 151 R HA 0.669 5.009 4.340 -0.000 0.000 0.269 151 R C -0.194 176.003 176.300 -0.171 0.000 1.030 151 R CA -1.141 54.897 56.100 -0.104 0.000 0.882 151 R CB 0.487 30.736 30.300 -0.085 0.000 1.250 151 R HN 0.120 nan 8.270 nan 0.000 0.465 152 L N 0.206 121.292 121.223 -0.228 0.000 2.906 152 L HA 0.341 4.681 4.340 -0.000 0.000 0.255 152 L C -0.577 176.112 176.870 -0.301 0.000 1.166 152 L CA -0.071 54.492 54.840 -0.462 0.000 0.977 152 L CB 0.469 41.873 42.059 -1.092 0.000 1.313 152 L HN 0.576 nan 8.230 nan 0.000 0.549 153 D N -0.116 120.213 120.400 -0.118 0.000 2.228 153 D HA 0.227 4.867 4.640 -0.000 0.000 0.247 153 D C -0.019 176.214 176.300 -0.113 0.000 0.995 153 D CA -0.536 53.441 54.000 -0.037 0.000 0.903 153 D CB 1.398 42.210 40.800 0.020 0.000 1.205 153 D HN -0.083 nan 8.370 nan 0.000 0.459 154 N N -0.320 118.301 118.700 -0.131 0.000 2.696 154 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 154 N C -0.432 174.881 175.510 -0.328 0.000 1.090 154 N CA 0.405 53.328 53.050 -0.211 0.000 0.716 154 N CB -1.025 37.371 38.487 -0.151 0.000 1.020 154 N HN 0.369 nan 8.380 nan 0.000 0.548 155 L N -0.645 120.382 121.223 -0.327 0.000 2.469 155 L HA 0.343 4.683 4.340 -0.000 0.000 0.253 155 L C 0.548 177.133 176.870 -0.475 0.000 1.143 155 L CA -0.434 54.204 54.840 -0.336 0.000 0.804 155 L CB 0.590 42.508 42.059 -0.235 0.000 1.214 155 L HN 0.267 nan 8.230 nan 0.000 0.476 156 H N -0.272 118.707 119.070 -0.151 0.000 2.866 156 H HA 0.388 4.943 4.556 -0.000 0.000 0.287 156 H C -1.134 174.160 175.328 -0.057 0.000 1.106 156 H CA -0.547 55.437 56.048 -0.107 0.000 1.396 156 H CB 1.249 31.054 29.762 0.072 0.000 1.469 156 H HN 0.120 nan 8.280 nan 0.000 0.500 157 V N 2.225 122.088 119.914 -0.084 0.000 2.435 157 V HA 0.676 4.796 4.120 -0.000 0.000 0.290 157 V C 0.136 176.323 176.094 0.156 0.000 1.030 157 V CA -0.802 61.510 62.300 0.021 0.000 0.881 157 V CB 1.444 33.236 31.823 -0.050 0.000 0.983 157 V HN 0.792 nan 8.190 nan 0.000 0.445 158 A N 6.268 129.236 122.820 0.247 0.000 2.331 158 A HA 0.902 5.222 4.320 -0.000 0.000 0.320 158 A C -0.536 177.205 177.584 0.262 0.000 1.138 158 A CA -0.620 51.586 52.037 0.281 0.000 0.790 158 A CB 1.027 20.148 19.000 0.202 0.000 1.206 158 A HN 0.827 nan 8.150 nan 0.000 0.470 159 M N 2.886 122.667 119.600 0.302 0.000 2.227 159 M HA 0.494 4.974 4.480 -0.000 0.000 0.335 159 M C -1.141 175.292 176.300 0.222 0.000 1.053 159 M CA -0.570 54.917 55.300 0.312 0.000 0.973 159 M CB 1.910 34.730 32.600 0.368 0.000 1.623 159 M HN 0.374 nan 8.290 nan 0.000 0.434 160 V N 2.117 122.121 119.914 0.151 0.000 2.735 160 V HA 0.980 5.100 4.120 -0.000 0.000 0.310 160 V C 0.380 176.517 176.094 0.073 0.000 1.061 160 V CA -0.134 62.200 62.300 0.056 0.000 0.913 160 V CB 1.494 33.324 31.823 0.013 0.000 1.005 160 V HN 1.131 nan 8.190 nan 0.000 0.428 161 G N 3.481 112.340 108.800 0.099 0.000 2.384 161 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.200 161 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.200 161 G C -0.678 174.300 174.900 0.129 0.000 1.205 161 G CA -0.065 45.124 45.100 0.148 0.000 1.116 161 G HN 0.812 nan 8.290 nan 0.000 0.547 162 D N 1.647 122.113 120.400 0.110 0.000 2.398 162 D HA 0.332 4.972 4.640 -0.000 0.000 0.250 162 D C 1.842 178.167 176.300 0.042 0.000 1.287 162 D CA -0.085 53.974 54.000 0.099 0.000 0.992 162 D CB -0.187 40.696 40.800 0.139 0.000 1.071 162 D HN 0.425 nan 8.370 nan 0.000 0.514 163 L N 2.906 124.132 121.223 0.005 0.000 2.395 163 L HA -0.009 4.331 4.340 -0.000 0.000 0.218 163 L C 2.366 179.206 176.870 -0.049 0.000 1.130 163 L CA 0.351 55.157 54.840 -0.057 0.000 0.826 163 L CB -0.145 41.843 42.059 -0.118 0.000 0.941 163 L HN 0.317 nan 8.230 nan 0.000 0.451 164 K N 0.508 120.857 120.400 -0.086 0.000 1.980 164 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 164 K C 1.846 178.415 176.600 -0.052 0.000 1.043 164 K CA 1.471 57.657 56.287 -0.167 0.000 0.938 164 K CB -0.138 32.098 32.500 -0.439 0.000 0.724 164 K HN 0.096 nan 8.250 nan 0.000 0.438 165 Y N 0.686 121.047 120.300 0.101 0.000 2.529 165 Y HA 0.205 4.755 4.550 -0.000 0.000 0.290 165 Y C 0.970 176.864 175.900 -0.010 0.000 1.177 165 Y CA 0.183 58.341 58.100 0.096 0.000 1.305 165 Y CB -0.185 38.318 38.460 0.071 0.000 1.047 165 Y HN 0.101 nan 8.280 nan 0.000 0.522 166 G N 1.436 110.209 108.800 -0.045 0.000 2.389 166 G HA2 0.147 4.107 3.960 -0.000 0.000 0.287 166 G HA3 0.147 4.107 3.960 -0.000 0.000 0.287 166 G C 0.974 175.523 174.900 -0.583 0.000 1.126 166 G CA -0.587 44.399 45.100 -0.190 0.000 1.073 166 G HN 0.527 nan 8.290 nan 0.000 0.429 167 R N 1.261 121.624 120.500 -0.228 0.000 2.148 167 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 167 R C 2.140 178.425 176.300 -0.026 0.000 1.088 167 R CA 1.516 57.542 56.100 -0.125 0.000 0.985 167 R CB -0.752 29.606 30.300 0.096 0.000 0.880 167 R HN 0.506 nan 8.270 nan 0.000 0.451 168 T N 0.242 114.826 114.554 0.049 0.000 2.777 168 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 168 T C 2.132 176.828 174.700 -0.006 0.000 1.040 168 T CA 1.291 63.475 62.100 0.139 0.000 1.141 168 T CB -0.586 68.453 68.868 0.285 0.000 0.868 168 T HN 0.235 nan 8.240 nan 0.000 0.444 169 V N -0.688 119.167 119.914 -0.098 0.000 3.217 169 V HA 0.051 4.171 4.120 -0.000 0.000 0.264 169 V C 2.111 178.149 176.094 -0.093 0.000 1.135 169 V CA 1.094 63.300 62.300 -0.158 0.000 1.142 169 V CB -1.395 30.366 31.823 -0.105 0.000 0.754 169 V HN 0.633 nan 8.190 nan 0.000 0.484 170 H N 0.665 119.701 119.070 -0.056 0.000 2.384 170 H HA 0.032 4.588 4.556 -0.000 0.000 0.300 170 H C 2.570 177.880 175.328 -0.029 0.000 1.057 170 H CA 1.157 57.166 56.048 -0.065 0.000 1.370 170 H CB 0.091 29.863 29.762 0.016 0.000 1.417 170 H HN 0.454 nan 8.280 nan 0.000 0.527 171 S N 0.874 116.655 115.700 0.134 0.000 2.402 171 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 171 S C 1.961 176.584 174.600 0.038 0.000 1.021 171 S CA 0.600 58.857 58.200 0.095 0.000 0.974 171 S CB -0.090 63.177 63.200 0.111 0.000 0.800 171 S HN 0.158 nan 8.310 nan 0.000 0.484 172 L N 1.701 122.907 121.223 -0.029 0.000 2.179 172 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 172 L C 2.125 178.971 176.870 -0.040 0.000 1.096 172 L CA 1.718 56.517 54.840 -0.068 0.000 0.779 172 L CB -1.312 40.597 42.059 -0.250 0.000 0.922 172 L HN 0.178 nan 8.230 nan 0.000 0.443 173 T N -0.865 113.617 114.554 -0.121 0.000 2.732 173 T HA -0.160 4.190 4.350 -0.000 0.000 0.261 173 T C 1.742 176.384 174.700 -0.097 0.000 1.040 173 T CA 1.402 63.341 62.100 -0.268 0.000 1.145 173 T CB -0.146 68.469 68.868 -0.421 0.000 0.866 173 T HN 0.405 nan 8.240 nan 0.000 0.427 174 Q N 0.832 120.607 119.800 -0.042 0.000 2.197 174 Q HA -0.098 4.242 4.340 -0.000 0.000 0.207 174 Q C 2.569 178.619 176.000 0.082 0.000 0.984 174 Q CA 1.414 57.228 55.803 0.019 0.000 0.869 174 Q CB -0.339 28.421 28.738 0.038 0.000 0.906 174 Q HN 0.552 nan 8.270 nan 0.000 0.426 175 A N 0.992 123.880 122.820 0.113 0.000 1.840 175 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 175 A C 1.957 179.746 177.584 0.341 0.000 1.198 175 A CA 0.792 52.953 52.037 0.205 0.000 0.608 175 A CB -0.622 18.493 19.000 0.190 0.000 0.839 175 A HN 0.291 nan 8.150 nan 0.000 0.443 176 L N -0.331 121.084 121.223 0.320 0.000 2.642 176 L HA -0.125 4.215 4.340 -0.000 0.000 0.236 176 L C 2.486 179.628 176.870 0.453 0.000 1.169 176 L CA 0.544 55.639 54.840 0.425 0.000 0.851 176 L CB -0.349 42.013 42.059 0.504 0.000 0.968 176 L HN 0.478 nan 8.230 nan 0.000 0.453 177 A N -0.923 122.093 122.820 0.326 0.000 2.195 177 A HA 0.005 4.325 4.320 -0.000 0.000 0.210 177 A C 2.113 179.793 177.584 0.159 0.000 1.165 177 A CA 0.246 52.429 52.037 0.243 0.000 0.806 177 A CB 0.017 19.104 19.000 0.144 0.000 0.847 177 A HN 0.124 nan 8.150 nan 0.000 0.482 178 K N -0.512 119.977 120.400 0.147 0.000 2.228 178 K HA 0.094 4.413 4.320 -0.000 0.000 0.202 178 K C -0.037 176.450 176.600 -0.189 0.000 1.051 178 K CA 0.431 56.681 56.287 -0.061 0.000 0.960 178 K CB -0.233 32.158 32.500 -0.182 0.000 0.743 178 K HN 0.514 nan 8.250 nan 0.000 0.458 179 F N 1.462 121.441 119.950 0.047 0.000 2.251 179 F HA 0.151 4.678 4.527 -0.000 0.000 0.302 179 F C 0.846 176.654 175.800 0.013 0.000 1.143 179 F CA -0.620 57.395 58.000 0.025 0.000 1.104 179 F CB 0.468 39.477 39.000 0.016 0.000 1.516 179 F HN -0.171 nan 8.300 nan 0.000 0.511 180 D N -1.001 119.511 120.400 0.188 0.000 2.340 180 D HA 0.394 5.034 4.640 -0.000 0.000 0.240 180 D C 0.667 176.985 176.300 0.031 0.000 1.001 180 D CA 0.228 54.277 54.000 0.081 0.000 0.888 180 D CB 1.634 42.464 40.800 0.049 0.000 1.310 180 D HN 0.712 nan 8.370 nan 0.000 0.474 181 G N 1.437 110.232 108.800 -0.009 0.000 2.168 181 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 181 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 181 G C 0.122 174.926 174.900 -0.160 0.000 0.977 181 G CA -0.211 44.846 45.100 -0.072 0.000 0.659 181 G HN 0.468 nan 8.290 nan 0.000 0.533 182 N N 0.125 118.725 118.700 -0.166 0.000 2.514 182 N HA 0.483 5.222 4.740 -0.000 0.000 0.277 182 N C 0.252 175.500 175.510 -0.435 0.000 1.126 182 N CA -0.094 52.737 53.050 -0.365 0.000 0.978 182 N CB 1.313 39.557 38.487 -0.405 0.000 1.106 182 N HN 0.602 nan 8.380 nan 0.000 0.461 183 R N 1.945 122.105 120.500 -0.568 0.000 2.480 183 R HA 0.396 4.736 4.340 -0.000 0.000 0.306 183 R C -1.413 174.424 176.300 -0.771 0.000 0.958 183 R CA -0.440 55.375 56.100 -0.475 0.000 0.861 183 R CB 0.467 30.613 30.300 -0.256 0.000 1.171 183 R HN 0.337 nan 8.270 nan 0.000 0.445 184 F N 4.451 124.137 119.950 -0.440 0.000 2.415 184 F HA 0.378 4.905 4.527 -0.000 0.000 0.348 184 F C -0.614 174.683 175.800 -0.838 0.000 1.119 184 F CA -0.528 57.077 58.000 -0.658 0.000 1.069 184 F CB 1.203 39.741 39.000 -0.770 0.000 1.124 184 F HN 0.437 nan 8.300 nan 0.000 0.472 185 Y N 3.445 123.635 120.300 -0.184 0.000 2.342 185 Y HA 0.417 4.966 4.550 -0.000 0.000 0.338 185 Y C -0.664 175.238 175.900 0.003 0.000 0.965 185 Y CA -0.890 57.205 58.100 -0.008 0.000 1.159 185 Y CB 0.820 39.312 38.460 0.053 0.000 1.157 185 Y HN 0.421 nan 8.280 nan 0.000 0.486 186 F N 4.777 124.950 119.950 0.372 0.000 2.388 186 F HA 0.514 5.041 4.527 -0.000 0.000 0.358 186 F C -0.128 175.748 175.800 0.126 0.000 1.122 186 F CA -0.793 57.328 58.000 0.200 0.000 1.056 186 F CB 0.888 39.972 39.000 0.140 0.000 1.155 186 F HN 0.261 nan 8.300 nan 0.000 0.461 187 I N 4.162 124.854 120.570 0.204 0.000 2.437 187 I HA 0.634 4.804 4.170 -0.000 0.000 0.279 187 I C -0.417 175.573 176.117 -0.211 0.000 1.028 187 I CA -0.324 60.924 61.300 -0.087 0.000 1.142 187 I CB 1.040 38.890 38.000 -0.250 0.000 1.266 187 I HN 0.638 nan 8.210 nan 0.000 0.461 188 A N 6.870 129.648 122.820 -0.070 0.000 2.587 188 A HA 0.889 5.209 4.320 -0.000 0.000 0.293 188 A C -2.959 174.808 177.584 0.305 0.000 1.087 188 A CA -1.519 50.589 52.037 0.118 0.000 0.692 188 A CB 1.604 20.654 19.000 0.083 0.000 1.291 188 A HN 0.324 nan 8.150 nan 0.000 0.407 189 P HA 0.213 nan 4.420 nan 0.000 0.276 189 P C -0.168 177.225 177.300 0.154 0.000 1.230 189 P CA -0.058 63.210 63.100 0.280 0.000 0.776 189 P CB 0.673 32.486 31.700 0.189 0.000 0.888 190 D N 2.771 123.243 120.400 0.120 0.000 2.170 190 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 190 D C 1.755 178.078 176.300 0.039 0.000 1.004 190 D CA 1.994 56.036 54.000 0.071 0.000 0.860 190 D CB -0.614 40.223 40.800 0.062 0.000 0.931 190 D HN 0.413 nan 8.370 nan 0.000 0.448 191 A N -0.101 122.747 122.820 0.046 0.000 2.172 191 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 191 A C 1.719 179.306 177.584 0.005 0.000 1.154 191 A CA 0.578 52.633 52.037 0.030 0.000 0.701 191 A CB -0.189 18.844 19.000 0.055 0.000 0.789 191 A HN 0.261 nan 8.150 nan 0.000 0.465 192 L N -0.537 120.697 121.223 0.018 0.000 3.218 192 L HA 0.370 4.710 4.340 -0.000 0.000 0.279 192 L C 0.774 177.617 176.870 -0.045 0.000 1.287 192 L CA -0.451 54.377 54.840 -0.019 0.000 1.024 192 L CB -0.037 42.060 42.059 0.062 0.000 1.409 192 L HN 0.314 nan 8.230 nan 0.000 0.580 193 A N 0.448 123.229 122.820 -0.064 0.000 2.310 193 A HA 0.363 4.683 4.320 -0.000 0.000 0.260 193 A C 0.154 177.621 177.584 -0.195 0.000 1.112 193 A CA -0.327 51.652 52.037 -0.095 0.000 0.804 193 A CB 0.284 19.242 19.000 -0.070 0.000 1.081 193 A HN 0.287 nan 8.150 nan 0.000 0.499 194 M N 0.883 120.303 119.600 -0.300 0.000 2.238 194 M HA 0.307 4.787 4.480 -0.000 0.000 0.350 194 M C -2.218 173.810 176.300 -0.454 0.000 1.321 194 M CA -1.736 53.283 55.300 -0.469 0.000 1.097 194 M CB -0.164 31.927 32.600 -0.849 0.000 1.713 194 M HN 0.315 nan 8.290 nan 0.000 0.455 195 P HA 0.039 nan 4.420 nan 0.000 0.268 195 P C -0.335 176.627 177.300 -0.562 0.000 1.208 195 P CA -0.101 62.659 63.100 -0.568 0.000 0.777 195 P CB 0.506 31.640 31.700 -0.943 0.000 0.875 196 Q N 1.865 121.452 119.800 -0.355 0.000 2.119 196 Q HA -0.194 4.146 4.340 -0.000 0.000 0.201 196 Q C 1.834 177.698 176.000 -0.228 0.000 0.972 196 Q CA 1.804 57.464 55.803 -0.238 0.000 0.847 196 Q CB -1.048 27.631 28.738 -0.097 0.000 0.903 196 Q HN 0.615 nan 8.270 nan 0.000 0.433 197 Y N -1.102 119.097 120.300 -0.168 0.000 2.207 197 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 197 Y C 1.656 177.447 175.900 -0.181 0.000 1.156 197 Y CA 1.081 59.090 58.100 -0.152 0.000 1.182 197 Y CB -0.699 37.677 38.460 -0.141 0.000 0.979 197 Y HN 0.057 nan 8.280 nan 0.000 0.521 198 I N 0.722 120.958 120.570 -0.558 0.000 2.252 198 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 198 I C 2.496 178.390 176.117 -0.372 0.000 1.102 198 I CA 1.266 62.316 61.300 -0.418 0.000 1.385 198 I CB -1.039 36.602 38.000 -0.599 0.000 1.064 198 I HN 0.380 nan 8.210 nan 0.000 0.414 199 L N 0.453 121.388 121.223 -0.480 0.000 2.017 199 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 199 L C 2.275 179.027 176.870 -0.196 0.000 1.073 199 L CA 1.375 55.904 54.840 -0.518 0.000 0.745 199 L CB -0.852 40.834 42.059 -0.621 0.000 0.894 199 L HN 0.188 nan 8.230 nan 0.000 0.432 200 D N -0.159 120.181 120.400 -0.100 0.000 2.149 200 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 200 D C 2.114 178.421 176.300 0.013 0.000 1.001 200 D CA 1.360 55.360 54.000 0.001 0.000 0.849 200 D CB -0.177 40.630 40.800 0.013 0.000 0.939 200 D HN 0.232 nan 8.370 nan 0.000 0.449 201 M N 0.070 119.658 119.600 -0.020 0.000 2.200 201 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 201 M C 1.918 178.227 176.300 0.015 0.000 1.066 201 M CA 0.962 56.262 55.300 0.000 0.000 1.127 201 M CB -0.271 32.325 32.600 -0.007 0.000 1.379 201 M HN 0.028 nan 8.290 nan 0.000 0.420 202 L N 0.332 121.541 121.223 -0.022 0.000 2.046 202 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 202 L C 2.097 179.066 176.870 0.166 0.000 1.077 202 L CA 1.330 56.200 54.840 0.049 0.000 0.747 202 L CB -0.897 41.117 42.059 -0.076 0.000 0.896 202 L HN 0.251 nan 8.230 nan 0.000 0.432 203 D N -0.040 120.476 120.400 0.194 0.000 2.084 203 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 203 D C 2.076 178.451 176.300 0.124 0.000 0.990 203 D CA 1.159 55.286 54.000 0.212 0.000 0.826 203 D CB -0.123 40.802 40.800 0.209 0.000 0.971 203 D HN 0.225 nan 8.370 nan 0.000 0.453 204 E N 0.188 120.441 120.200 0.088 0.000 2.114 204 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 204 E C 1.779 178.416 176.600 0.062 0.000 1.008 204 E CA 1.295 57.731 56.400 0.061 0.000 0.810 204 E CB 0.097 29.823 29.700 0.044 0.000 0.739 204 E HN -0.047 nan 8.360 nan 0.000 0.456 205 K N -1.265 119.179 120.400 0.072 0.000 2.365 205 K HA 0.051 4.371 4.320 -0.000 0.000 0.199 205 K C 0.931 177.581 176.600 0.082 0.000 1.045 205 K CA 0.843 57.173 56.287 0.073 0.000 0.962 205 K CB 0.132 32.682 32.500 0.083 0.000 0.759 205 K HN 0.275 nan 8.250 nan 0.000 0.469 206 G N 0.551 109.411 108.800 0.100 0.000 2.137 206 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.237 206 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.237 206 G C -0.046 174.921 174.900 0.112 0.000 1.002 206 G CA 0.014 45.169 45.100 0.092 0.000 0.702 206 G HN 0.226 nan 8.290 nan 0.000 0.515 207 I N 1.288 121.961 120.570 0.171 0.000 2.395 207 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 207 I C 1.102 177.388 176.117 0.281 0.000 1.023 207 I CA -0.314 61.113 61.300 0.212 0.000 1.350 207 I CB 1.477 39.634 38.000 0.262 0.000 1.409 207 I HN 0.301 nan 8.210 nan 0.000 0.507 208 A N 8.998 131.911 122.820 0.155 0.000 2.450 208 A HA 0.430 4.750 4.320 -0.000 0.000 0.255 208 A C -0.636 177.051 177.584 0.173 0.000 1.096 208 A CA -0.188 51.896 52.037 0.078 0.000 0.778 208 A CB 0.191 19.185 19.000 -0.010 0.000 1.031 208 A HN 0.845 nan 8.150 nan 0.000 0.494 209 W N 1.058 122.340 121.300 -0.031 0.000 3.213 209 W HA 0.670 5.330 4.660 -0.000 0.000 0.318 209 W C -0.903 175.591 176.519 -0.042 0.000 1.248 209 W CA -0.414 56.873 57.345 -0.096 0.000 1.187 209 W CB 0.706 30.173 29.460 0.013 0.000 1.403 209 W HN 1.034 nan 8.180 nan 0.000 0.556 210 S N 1.706 117.494 115.700 0.147 0.000 2.607 210 S HA 0.748 5.218 4.470 -0.000 0.000 0.273 210 S C -1.480 173.187 174.600 0.111 0.000 1.148 210 S CA -1.033 57.168 58.200 0.002 0.000 0.833 210 S CB 2.415 65.618 63.200 0.004 0.000 1.130 210 S HN 0.482 nan 8.310 nan 0.000 0.470 211 L N 2.015 123.150 121.223 -0.147 0.000 2.331 211 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 211 L C -0.514 176.016 176.870 -0.566 0.000 1.022 211 L CA -0.135 54.651 54.840 -0.090 0.000 0.812 211 L CB 1.232 43.315 42.059 0.040 0.000 1.257 211 L HN 0.861 nan 8.230 nan 0.000 0.435 212 H N 0.906 120.042 119.070 0.110 0.000 3.046 212 H HA 0.211 4.767 4.556 -0.000 0.000 0.361 212 H C -0.092 175.247 175.328 0.019 0.000 1.235 212 H CA -0.563 55.514 56.048 0.047 0.000 1.146 212 H CB 2.005 31.773 29.762 0.009 0.000 1.859 212 H HN 0.413 nan 8.280 nan 0.000 0.548 213 S N 0.771 116.578 115.700 0.178 0.000 2.593 213 S HA 0.085 4.555 4.470 -0.000 0.000 0.217 213 S C 0.374 175.142 174.600 0.281 0.000 0.966 213 S CA 0.419 58.752 58.200 0.223 0.000 0.914 213 S CB 0.107 63.428 63.200 0.202 0.000 0.776 213 S HN 0.677 nan 8.310 nan 0.000 0.523 214 S N -0.301 115.466 115.700 0.111 0.000 2.622 214 S HA 0.320 4.789 4.470 -0.000 0.000 0.275 214 S C 0.578 175.162 174.600 -0.026 0.000 1.112 214 S CA -0.955 57.304 58.200 0.099 0.000 0.837 214 S CB 0.149 63.450 63.200 0.168 0.000 1.082 214 S HN 0.055 nan 8.310 nan 0.000 0.456 215 I N -0.899 119.651 120.570 -0.033 0.000 2.315 215 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 215 I C 2.176 178.221 176.117 -0.120 0.000 1.117 215 I CA 1.574 62.818 61.300 -0.093 0.000 1.404 215 I CB -1.649 36.318 38.000 -0.056 0.000 1.071 215 I HN 0.714 nan 8.210 nan 0.000 0.419 216 E N 1.991 122.159 120.200 -0.053 0.000 2.172 216 E HA -0.286 4.064 4.350 -0.000 0.000 0.213 216 E C 2.047 178.577 176.600 -0.117 0.000 1.051 216 E CA 2.599 58.966 56.400 -0.055 0.000 0.860 216 E CB -0.365 29.340 29.700 0.009 0.000 0.755 216 E HN 0.822 nan 8.360 nan 0.000 0.462 217 E N -0.610 119.507 120.200 -0.138 0.000 2.072 217 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 217 E C 2.025 178.411 176.600 -0.356 0.000 0.985 217 E CA 1.711 57.990 56.400 -0.202 0.000 0.801 217 E CB -0.305 29.302 29.700 -0.155 0.000 0.750 217 E HN 0.355 nan 8.360 nan 0.000 0.452 218 V N -1.863 117.754 119.914 -0.495 0.000 3.590 218 V HA 0.055 4.175 4.120 -0.000 0.000 0.265 218 V C 2.176 177.982 176.094 -0.479 0.000 1.239 218 V CA 0.551 62.439 62.300 -0.687 0.000 1.117 218 V CB 0.186 31.351 31.823 -1.098 0.000 0.818 218 V HN 0.063 nan 8.190 nan 0.000 0.451 219 M N 3.536 122.937 119.600 -0.332 0.000 2.147 219 M HA -0.143 4.337 4.480 -0.000 0.000 0.253 219 M C 1.728 177.871 176.300 -0.263 0.000 1.075 219 M CA 2.504 57.645 55.300 -0.266 0.000 1.085 219 M CB -1.119 31.336 32.600 -0.242 0.000 1.305 219 M HN 0.478 nan 8.290 nan 0.000 0.409 220 A N -1.216 121.449 122.820 -0.257 0.000 2.503 220 A HA 0.182 4.502 4.320 -0.000 0.000 0.263 220 A C 1.500 178.959 177.584 -0.209 0.000 1.360 220 A CA 0.772 52.681 52.037 -0.214 0.000 0.969 220 A CB -0.978 17.912 19.000 -0.183 0.000 1.000 220 A HN 0.760 nan 8.150 nan 0.000 0.530 221 E N -0.835 119.207 120.200 -0.262 0.000 2.633 221 E HA 0.127 4.477 4.350 -0.000 0.000 0.222 221 E C 0.224 176.661 176.600 -0.271 0.000 0.899 221 E CA 0.399 56.615 56.400 -0.308 0.000 1.292 221 E CB 0.659 30.104 29.700 -0.425 0.000 1.257 221 E HN 0.404 nan 8.360 nan 0.000 0.626 222 V N -0.722 119.085 119.914 -0.179 0.000 2.863 222 V HA 0.403 4.523 4.120 -0.000 0.000 0.307 222 V C 0.246 176.358 176.094 0.029 0.000 1.061 222 V CA -0.275 62.020 62.300 -0.008 0.000 1.024 222 V CB 1.765 33.576 31.823 -0.019 0.000 1.049 222 V HN 0.019 nan 8.190 nan 0.000 0.471 223 D N 0.808 121.260 120.400 0.087 0.000 2.525 223 D HA 0.305 4.945 4.640 -0.000 0.000 0.248 223 D C 0.213 176.525 176.300 0.021 0.000 1.000 223 D CA 0.854 54.876 54.000 0.038 0.000 0.923 223 D CB 0.744 41.560 40.800 0.026 0.000 1.101 223 D HN 0.405 nan 8.370 nan 0.000 0.493 224 I N 1.780 122.380 120.570 0.051 0.000 2.465 224 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 224 I C -0.594 175.595 176.117 0.120 0.000 1.014 224 I CA -0.748 60.599 61.300 0.078 0.000 1.093 224 I CB 2.293 40.342 38.000 0.082 0.000 1.267 224 I HN -0.152 nan 8.210 nan 0.000 0.431 225 L N 8.130 129.429 121.223 0.127 0.000 2.387 225 L HA 0.354 4.694 4.340 -0.000 0.000 0.259 225 L C -1.012 175.964 176.870 0.177 0.000 1.050 225 L CA -0.430 54.487 54.840 0.128 0.000 0.922 225 L CB 0.341 42.438 42.059 0.063 0.000 1.280 225 L HN 0.388 nan 8.230 nan 0.000 0.449 226 Y N 4.892 125.239 120.300 0.079 0.000 2.637 226 Y HA 0.319 4.869 4.550 -0.000 0.000 0.350 226 Y C 0.145 176.047 175.900 0.002 0.000 1.069 226 Y CA -0.021 58.113 58.100 0.057 0.000 1.397 226 Y CB 0.363 38.870 38.460 0.078 0.000 1.163 226 Y HN 0.426 nan 8.280 nan 0.000 0.527 227 M N 4.938 124.402 119.600 -0.226 0.000 2.314 227 M HA 0.308 4.788 4.480 -0.000 0.000 0.342 227 M C 0.085 176.023 176.300 -0.603 0.000 1.171 227 M CA -0.215 54.933 55.300 -0.254 0.000 1.098 227 M CB 1.323 33.835 32.600 -0.147 0.000 1.559 227 M HN 0.664 nan 8.290 nan 0.000 0.459 228 T N -0.109 114.243 114.554 -0.336 0.000 2.901 228 T HA 0.685 5.035 4.350 -0.000 0.000 0.293 228 T C -0.537 174.108 174.700 -0.091 0.000 1.084 228 T CA -1.124 60.789 62.100 -0.312 0.000 1.008 228 T CB 2.573 71.414 68.868 -0.045 0.000 1.170 228 T HN 0.742 nan 8.240 nan 0.000 0.509 229 R N 1.030 121.537 120.500 0.012 0.000 2.428 229 R HA 0.590 4.930 4.340 -0.000 0.000 0.294 229 R C -0.744 175.614 176.300 0.098 0.000 1.000 229 R CA -0.694 55.473 56.100 0.112 0.000 0.960 229 R CB 0.991 31.385 30.300 0.157 0.000 1.076 229 R HN 0.594 nan 8.270 nan 0.000 0.475 230 V N 5.221 125.196 119.914 0.102 0.000 2.493 230 V HA -0.042 4.078 4.120 -0.000 0.000 0.292 230 V C 0.451 176.607 176.094 0.104 0.000 1.016 230 V CA 0.269 62.637 62.300 0.114 0.000 1.097 230 V CB 1.113 32.997 31.823 0.102 0.000 0.947 230 V HN 0.749 nan 8.190 nan 0.000 0.479 231 Q N 4.769 124.648 119.800 0.132 0.000 3.107 231 Q HA 0.034 4.374 4.340 -0.000 0.000 0.268 231 Q C 1.379 177.395 176.000 0.028 0.000 1.382 231 Q CA 0.083 55.938 55.803 0.086 0.000 0.927 231 Q CB -0.147 28.660 28.738 0.115 0.000 1.755 231 Q HN 0.676 nan 8.270 nan 0.000 0.545 232 K N 1.466 121.886 120.400 0.034 0.000 2.059 232 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 232 K C 0.750 177.350 176.600 0.000 0.000 1.050 232 K CA 1.969 58.267 56.287 0.018 0.000 0.927 232 K CB 0.403 32.900 32.500 -0.006 0.000 0.714 232 K HN 0.314 nan 8.250 nan 0.000 0.447 233 E N -0.199 119.991 120.200 -0.016 0.000 2.333 233 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 233 E C 1.608 178.166 176.600 -0.069 0.000 1.007 233 E CA 1.045 57.431 56.400 -0.024 0.000 0.845 233 E CB 0.007 29.696 29.700 -0.017 0.000 0.766 233 E HN 0.311 nan 8.360 nan 0.000 0.507 234 R N -0.142 120.258 120.500 -0.166 0.000 2.307 234 R HA 0.252 4.592 4.340 -0.000 0.000 0.200 234 R C 0.156 176.131 176.300 -0.542 0.000 0.893 234 R CA -0.233 55.641 56.100 -0.376 0.000 1.042 234 R CB 0.229 30.208 30.300 -0.535 0.000 1.059 234 R HN 0.109 nan 8.270 nan 0.000 0.530 235 L N 2.120 123.157 121.223 -0.310 0.000 2.514 235 L HA -0.013 4.327 4.340 -0.000 0.000 0.280 235 L C 0.315 177.147 176.870 -0.063 0.000 1.223 235 L CA 0.082 54.858 54.840 -0.107 0.000 0.864 235 L CB 0.080 42.245 42.059 0.177 0.000 1.118 235 L HN 0.069 nan 8.230 nan 0.000 0.494 236 D N 2.919 123.285 120.400 -0.057 0.000 2.313 236 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 236 D C -1.746 174.308 176.300 -0.411 0.000 1.094 236 D CA -1.386 52.523 54.000 -0.152 0.000 0.925 236 D CB 1.415 42.191 40.800 -0.041 0.000 1.188 236 D HN 0.200 nan 8.370 nan 0.000 0.430 237 P HA -0.173 nan 4.420 nan 0.000 0.217 237 P C 1.107 178.117 177.300 -0.483 0.000 1.148 237 P CA 1.346 63.799 63.100 -1.078 0.000 0.828 237 P CB -0.030 31.302 31.700 -0.612 0.000 0.783 238 S N -0.949 114.613 115.700 -0.229 0.000 2.469 238 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 238 S C 1.717 176.304 174.600 -0.022 0.000 0.998 238 S CA 1.129 59.278 58.200 -0.086 0.000 0.957 238 S CB -0.898 62.275 63.200 -0.046 0.000 0.764 238 S HN 0.237 nan 8.310 nan 0.000 0.514 239 E N -0.416 119.773 120.200 -0.018 0.000 2.447 239 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 239 E C 0.903 177.613 176.600 0.183 0.000 1.028 239 E CA -0.068 56.387 56.400 0.093 0.000 0.876 239 E CB -0.192 29.600 29.700 0.154 0.000 0.885 239 E HN 0.711 nan 8.360 nan 0.000 0.500 240 Y N 0.414 120.738 120.300 0.040 0.000 2.405 240 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 240 Y C 2.324 178.239 175.900 0.025 0.000 1.182 240 Y CA 0.023 58.140 58.100 0.028 0.000 1.312 240 Y CB -0.127 38.343 38.460 0.017 0.000 0.971 240 Y HN 0.186 nan 8.280 nan 0.000 0.560 241 A N 0.765 123.692 122.820 0.179 0.000 2.019 241 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 241 A C 1.527 179.158 177.584 0.080 0.000 1.164 241 A CA 1.893 53.992 52.037 0.103 0.000 0.644 241 A CB -0.693 18.351 19.000 0.074 0.000 0.805 241 A HN 0.603 nan 8.150 nan 0.000 0.449 242 N N -0.023 118.738 118.700 0.102 0.000 2.270 242 N HA 0.121 4.860 4.740 -0.000 0.000 0.198 242 N C 0.982 176.537 175.510 0.075 0.000 1.117 242 N CA 0.534 53.633 53.050 0.082 0.000 0.845 242 N CB 0.393 38.941 38.487 0.102 0.000 0.980 242 N HN 0.386 nan 8.380 nan 0.000 0.486 243 V N -2.173 117.782 119.914 0.068 0.000 3.330 243 V HA -0.016 4.104 4.120 -0.000 0.000 0.273 243 V C 0.231 176.333 176.094 0.013 0.000 1.179 243 V CA 0.790 63.109 62.300 0.031 0.000 1.174 243 V CB -0.644 31.158 31.823 -0.035 0.000 0.794 243 V HN 0.103 nan 8.190 nan 0.000 0.527 244 K N 1.745 122.153 120.400 0.013 0.000 2.274 244 K HA 0.685 5.005 4.320 -0.000 0.000 0.262 244 K C 0.069 176.672 176.600 0.004 0.000 0.961 244 K CA 0.045 56.332 56.287 0.001 0.000 0.833 244 K CB 1.793 34.285 32.500 -0.013 0.000 1.102 244 K HN 0.335 nan 8.250 nan 0.000 0.436 245 A N 2.723 125.553 122.820 0.018 0.000 2.553 245 A HA -0.090 4.230 4.320 -0.000 0.000 0.258 245 A C 1.273 178.845 177.584 -0.020 0.000 1.069 245 A CA 0.441 52.500 52.037 0.037 0.000 0.767 245 A CB -0.084 18.949 19.000 0.054 0.000 0.997 245 A HN 0.837 nan 8.150 nan 0.000 0.512 246 Q N 2.125 121.877 119.800 -0.080 0.000 2.354 246 Q HA 0.113 4.453 4.340 -0.000 0.000 0.203 246 Q C -0.882 174.833 176.000 -0.476 0.000 0.933 246 Q CA 0.792 56.394 55.803 -0.336 0.000 0.901 246 Q CB 0.154 28.576 28.738 -0.526 0.000 1.007 246 Q HN 0.728 nan 8.270 nan 0.000 0.495 247 F N 1.760 121.736 119.950 0.043 0.000 2.513 247 F HA 0.348 4.875 4.527 -0.000 0.000 0.358 247 F C -0.625 175.197 175.800 0.037 0.000 1.118 247 F CA -1.267 56.758 58.000 0.043 0.000 1.037 247 F CB 1.643 40.675 39.000 0.053 0.000 1.276 247 F HN -0.168 nan 8.300 nan 0.000 0.446 248 V N 1.828 121.841 119.914 0.165 0.000 2.547 248 V HA 0.706 4.826 4.120 -0.000 0.000 0.299 248 V C -0.878 175.274 176.094 0.095 0.000 1.040 248 V CA -1.022 61.342 62.300 0.106 0.000 0.913 248 V CB 1.960 33.819 31.823 0.060 0.000 0.992 248 V HN 0.632 nan 8.190 nan 0.000 0.449 249 L N 4.309 125.577 121.223 0.075 0.000 2.282 249 L HA 0.709 5.049 4.340 -0.000 0.000 0.288 249 L C 0.096 177.002 176.870 0.060 0.000 1.033 249 L CA -0.105 54.775 54.840 0.065 0.000 0.807 249 L CB 1.170 43.265 42.059 0.060 0.000 1.209 249 L HN 0.854 nan 8.230 nan 0.000 0.423 250 R N 2.597 123.135 120.500 0.063 0.000 2.873 250 R HA 0.648 4.988 4.340 -0.000 0.000 0.264 250 R C 0.900 177.245 176.300 0.075 0.000 1.026 250 R CA 0.035 56.174 56.100 0.065 0.000 1.002 250 R CB 1.770 32.104 30.300 0.057 0.000 1.174 250 R HN 0.816 nan 8.270 nan 0.000 0.488 251 A N 0.567 123.435 122.820 0.080 0.000 1.978 251 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 251 A C 1.870 179.511 177.584 0.095 0.000 1.170 251 A CA 2.166 54.259 52.037 0.092 0.000 0.636 251 A CB -0.747 18.307 19.000 0.090 0.000 0.810 251 A HN 0.827 nan 8.150 nan 0.000 0.448 252 S N 0.796 116.547 115.700 0.086 0.000 2.370 252 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 252 S C 1.180 175.907 174.600 0.212 0.000 1.033 252 S CA 1.446 59.704 58.200 0.097 0.000 1.011 252 S CB -0.624 62.605 63.200 0.049 0.000 0.852 252 S HN 0.631 nan 8.310 nan 0.000 0.457 253 D N 1.537 122.040 120.400 0.172 0.000 2.363 253 D HA 0.106 4.746 4.640 -0.000 0.000 0.226 253 D C 1.292 177.602 176.300 0.017 0.000 1.020 253 D CA 0.415 54.528 54.000 0.189 0.000 0.892 253 D CB -0.154 40.698 40.800 0.088 0.000 0.900 253 D HN 0.445 nan 8.370 nan 0.000 0.531 254 L N 1.502 122.736 121.223 0.019 0.000 2.612 254 L HA 0.004 4.344 4.340 -0.000 0.000 0.230 254 L C 2.347 179.146 176.870 -0.119 0.000 1.140 254 L CA -0.078 54.680 54.840 -0.138 0.000 0.896 254 L CB -0.468 41.517 42.059 -0.124 0.000 1.065 254 L HN 0.154 nan 8.230 nan 0.000 0.447 255 H N 1.187 120.235 119.070 -0.037 0.000 2.319 255 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 255 H C 1.080 176.397 175.328 -0.018 0.000 1.092 255 H CA 1.945 57.986 56.048 -0.012 0.000 1.302 255 H CB -0.540 29.219 29.762 -0.006 0.000 1.373 255 H HN 0.477 nan 8.280 nan 0.000 0.497 256 N N 1.412 119.830 118.700 -0.470 0.000 2.270 256 N HA 0.257 4.997 4.740 -0.000 0.000 0.198 256 N C 0.399 175.787 175.510 -0.204 0.000 1.117 256 N CA 0.275 53.182 53.050 -0.239 0.000 0.845 256 N CB 0.171 38.519 38.487 -0.232 0.000 0.980 256 N HN 0.529 nan 8.380 nan 0.000 0.486 257 A N 0.843 123.523 122.820 -0.234 0.000 2.448 257 A HA 0.150 4.469 4.320 -0.000 0.000 0.239 257 A C 0.287 177.822 177.584 -0.082 0.000 1.080 257 A CA -0.298 51.618 52.037 -0.202 0.000 0.779 257 A CB 0.172 18.970 19.000 -0.337 0.000 1.026 257 A HN 0.302 nan 8.150 nan 0.000 0.499 258 K N 0.906 121.270 120.400 -0.059 0.000 2.416 258 K HA 0.254 4.574 4.320 -0.000 0.000 0.283 258 K C 0.992 177.638 176.600 0.077 0.000 1.037 258 K CA 0.523 56.807 56.287 -0.006 0.000 0.995 258 K CB 0.647 33.138 32.500 -0.016 0.000 0.938 258 K HN 0.728 nan 8.250 nan 0.000 0.475 259 A N 3.789 126.650 122.820 0.068 0.000 2.253 259 A HA -0.120 4.200 4.320 -0.000 0.000 0.203 259 A C 0.936 178.526 177.584 0.011 0.000 1.272 259 A CA 1.106 53.188 52.037 0.075 0.000 0.847 259 A CB -0.792 18.216 19.000 0.013 0.000 0.772 259 A HN 0.942 nan 8.150 nan 0.000 0.494 260 N N -1.248 117.464 118.700 0.021 0.000 2.168 260 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 260 N C 0.512 175.998 175.510 -0.039 0.000 1.259 260 N CA 0.082 53.102 53.050 -0.050 0.000 0.902 260 N CB -0.284 38.168 38.487 -0.059 0.000 1.079 260 N HN 0.482 nan 8.380 nan 0.000 0.507 261 M N 1.566 121.199 119.600 0.056 0.000 2.245 261 M HA 0.328 4.808 4.480 -0.000 0.000 0.344 261 M C -0.635 175.732 176.300 0.111 0.000 1.170 261 M CA 0.368 55.698 55.300 0.051 0.000 1.135 261 M CB 0.742 33.349 32.600 0.011 0.000 1.574 261 M HN -0.229 nan 8.290 nan 0.000 0.452 262 K N 3.303 123.713 120.400 0.017 0.000 2.328 262 K HA 0.672 4.992 4.320 -0.000 0.000 0.246 262 K C -1.476 175.194 176.600 0.115 0.000 0.955 262 K CA -0.796 55.508 56.287 0.029 0.000 0.817 262 K CB 2.242 34.640 32.500 -0.170 0.000 1.208 262 K HN 0.667 nan 8.250 nan 0.000 0.432 263 V N 3.724 123.758 119.914 0.200 0.000 2.347 263 V HA 0.392 4.512 4.120 -0.000 0.000 0.280 263 V C 0.118 176.394 176.094 0.304 0.000 1.021 263 V CA -0.771 61.666 62.300 0.228 0.000 0.847 263 V CB 0.826 32.813 31.823 0.274 0.000 0.990 263 V HN 0.489 nan 8.190 nan 0.000 0.444 264 L N 4.413 125.763 121.223 0.211 0.000 2.334 264 L HA 0.746 5.086 4.340 -0.000 0.000 0.270 264 L C -0.399 176.441 176.870 -0.051 0.000 1.018 264 L CA -0.677 54.264 54.840 0.167 0.000 0.811 264 L CB 1.686 43.857 42.059 0.186 0.000 1.271 264 L HN 0.608 nan 8.230 nan 0.000 0.443 265 H N 1.046 119.987 119.070 -0.215 0.000 3.151 265 H HA 0.192 4.748 4.556 -0.000 0.000 0.333 265 H C -2.581 172.606 175.328 -0.234 0.000 1.093 265 H CA -1.270 54.552 56.048 -0.377 0.000 1.342 265 H CB 2.771 32.324 29.762 -0.349 0.000 1.983 265 H HN 0.183 nan 8.280 nan 0.000 0.503 266 P HA 0.045 nan 4.420 nan 0.000 0.223 266 P C 0.055 177.500 177.300 0.243 0.000 1.151 266 P CA 0.505 63.697 63.100 0.152 0.000 0.787 266 P CB 0.476 32.270 31.700 0.157 0.000 0.788 267 L N -3.876 117.603 121.223 0.427 0.000 0.588 267 L HA -0.223 4.117 4.340 -0.000 0.000 0.356 267 L C 0.432 177.385 176.870 0.138 0.000 0.994 267 L CA -0.073 54.813 54.840 0.076 0.000 1.223 267 L CB -1.545 40.516 42.059 0.004 0.000 0.021 267 L HN 0.019 nan 8.230 nan 0.000 0.092 268 A N 1.276 124.141 122.820 0.076 0.000 2.406 268 A HA 0.519 4.839 4.320 -0.000 0.000 0.243 268 A C 0.189 177.711 177.584 -0.103 0.000 1.082 268 A CA 0.313 52.342 52.037 -0.013 0.000 0.786 268 A CB 0.313 19.320 19.000 0.012 0.000 1.029 268 A HN 0.641 nan 8.150 nan 0.000 0.495 269 R N 1.587 121.922 120.500 -0.275 0.000 2.294 269 R HA 0.536 4.876 4.340 -0.000 0.000 0.319 269 R C -0.216 176.007 176.300 -0.128 0.000 0.984 269 R CA -0.797 55.083 56.100 -0.366 0.000 0.861 269 R CB 0.928 30.821 30.300 -0.678 0.000 1.104 269 R HN 0.254 nan 8.270 nan 0.000 0.451 270 V N 1.388 121.278 119.914 -0.040 0.000 2.388 270 V HA -0.101 4.019 4.120 -0.000 0.000 0.217 270 V C 0.915 176.996 176.094 -0.022 0.000 1.085 270 V CA 1.560 63.852 62.300 -0.013 0.000 1.092 270 V CB -0.168 31.665 31.823 0.017 0.000 0.695 270 V HN 1.064 nan 8.190 nan 0.000 0.482 271 D N -0.762 119.636 120.400 -0.003 0.000 2.620 271 D HA -0.016 4.624 4.640 -0.000 0.000 0.260 271 D C 1.199 177.504 176.300 0.009 0.000 1.367 271 D CA 0.140 54.138 54.000 -0.004 0.000 0.805 271 D CB -0.286 40.515 40.800 0.002 0.000 1.096 271 D HN 0.622 nan 8.370 nan 0.000 0.488 272 E N 0.923 121.136 120.200 0.021 0.000 2.371 272 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 272 E C 0.400 177.017 176.600 0.028 0.000 1.012 272 E CA 0.170 56.600 56.400 0.051 0.000 0.860 272 E CB 0.460 30.220 29.700 0.101 0.000 0.811 272 E HN 0.357 nan 8.360 nan 0.000 0.502 273 I N 1.911 122.462 120.570 -0.032 0.000 2.466 273 I HA 0.322 4.492 4.170 -0.000 0.000 0.279 273 I C -0.208 175.891 176.117 -0.030 0.000 1.033 273 I CA -0.978 60.290 61.300 -0.054 0.000 1.123 273 I CB 1.708 39.585 38.000 -0.206 0.000 1.237 273 I HN -0.040 nan 8.210 nan 0.000 0.460 274 A N 3.699 126.529 122.820 0.017 0.000 2.531 274 A HA 0.174 4.494 4.320 -0.000 0.000 0.236 274 A C 1.661 179.279 177.584 0.056 0.000 1.062 274 A CA 0.499 52.555 52.037 0.032 0.000 0.760 274 A CB 0.163 19.188 19.000 0.041 0.000 0.995 274 A HN 0.897 nan 8.150 nan 0.000 0.501 275 T N -0.326 114.264 114.554 0.059 0.000 2.822 275 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 275 T C 0.956 175.719 174.700 0.106 0.000 1.064 275 T CA 1.917 64.072 62.100 0.092 0.000 1.131 275 T CB -0.774 68.141 68.868 0.078 0.000 0.858 275 T HN 0.802 nan 8.240 nan 0.000 0.483 276 D N 1.489 121.940 120.400 0.085 0.000 2.263 276 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 276 D C 1.901 178.268 176.300 0.111 0.000 0.971 276 D CA 0.590 54.642 54.000 0.086 0.000 0.867 276 D CB -0.918 39.923 40.800 0.069 0.000 0.929 276 D HN 0.434 nan 8.370 nan 0.000 0.492 277 V N 1.145 121.139 119.914 0.132 0.000 2.490 277 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 277 V C 1.515 177.727 176.094 0.196 0.000 1.061 277 V CA 1.986 64.389 62.300 0.171 0.000 1.064 277 V CB -0.673 31.266 31.823 0.194 0.000 0.670 277 V HN 0.078 nan 8.190 nan 0.000 0.461 278 D N 0.306 120.834 120.400 0.214 0.000 2.228 278 D HA -0.183 4.457 4.640 -0.000 0.000 0.203 278 D C 2.057 178.413 176.300 0.094 0.000 0.988 278 D CA 1.250 55.356 54.000 0.176 0.000 0.864 278 D CB -0.185 40.755 40.800 0.232 0.000 0.928 278 D HN 0.490 nan 8.370 nan 0.000 0.469 279 K N -0.237 120.219 120.400 0.094 0.000 2.361 279 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 279 K C 0.760 177.402 176.600 0.069 0.000 1.032 279 K CA 0.136 56.464 56.287 0.068 0.000 1.048 279 K CB 0.420 32.956 32.500 0.061 0.000 0.842 279 K HN 0.172 nan 8.250 nan 0.000 0.526 280 T N -0.118 114.496 114.554 0.101 0.000 2.918 280 T HA 0.131 4.481 4.350 -0.000 0.000 0.302 280 T C -2.155 172.587 174.700 0.071 0.000 1.045 280 T CA -1.545 60.625 62.100 0.117 0.000 1.114 280 T CB 1.045 70.047 68.868 0.224 0.000 0.965 280 T HN -0.196 nan 8.240 nan 0.000 0.540 281 P HA 0.038 nan 4.420 nan 0.000 0.244 281 P C 0.897 178.138 177.300 -0.099 0.000 1.211 281 P CA 0.491 63.554 63.100 -0.062 0.000 0.760 281 P CB -0.068 31.534 31.700 -0.164 0.000 0.961 282 H N -0.809 118.319 119.070 0.097 0.000 2.486 282 H HA 0.259 4.815 4.556 -0.000 0.000 0.287 282 H C 0.929 176.341 175.328 0.140 0.000 1.010 282 H CA 0.138 56.234 56.048 0.079 0.000 1.324 282 H CB -0.161 29.634 29.762 0.055 0.000 1.446 282 H HN 0.033 nan 8.280 nan 0.000 0.537 283 A N 1.109 124.052 122.820 0.205 0.000 2.522 283 A HA -0.033 4.287 4.320 -0.000 0.000 0.256 283 A C 0.099 177.629 177.584 -0.090 0.000 1.086 283 A CA 0.073 52.072 52.037 -0.063 0.000 0.763 283 A CB -0.447 18.396 19.000 -0.261 0.000 1.024 283 A HN 0.653 nan 8.150 nan 0.000 0.502 284 W N 4.094 125.131 121.300 -0.438 0.000 1.832 284 W HA 0.167 4.827 4.660 -0.000 0.000 0.297 284 W C -0.292 176.079 176.519 -0.246 0.000 0.891 284 W CA -0.194 56.986 57.345 -0.275 0.000 2.000 284 W CB 0.372 29.785 29.460 -0.079 0.000 1.081 284 W HN 1.074 nan 8.180 nan 0.000 0.499 285 Y N -2.149 118.075 120.300 -0.128 0.000 2.395 285 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 285 Y C 1.741 177.471 175.900 -0.283 0.000 1.123 285 Y CA 0.762 58.712 58.100 -0.250 0.000 1.227 285 Y CB -1.173 37.031 38.460 -0.426 0.000 1.012 285 Y HN -0.221 nan 8.280 nan 0.000 0.552 286 F N 0.758 120.637 119.950 -0.119 0.000 2.335 286 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 286 F C 2.043 177.730 175.800 -0.188 0.000 1.091 286 F CA 0.446 58.377 58.000 -0.114 0.000 1.399 286 F CB -0.749 38.170 39.000 -0.134 0.000 1.067 286 F HN 0.026 nan 8.300 nan 0.000 0.520 287 Q N 0.050 119.708 119.800 -0.236 0.000 2.123 287 Q HA -0.162 4.178 4.340 -0.000 0.000 0.199 287 Q C 2.233 178.193 176.000 -0.066 0.000 0.966 287 Q CA 1.231 56.847 55.803 -0.313 0.000 0.845 287 Q CB -0.500 27.689 28.738 -0.915 0.000 0.907 287 Q HN 0.488 nan 8.270 nan 0.000 0.439 288 Q N 0.153 119.954 119.800 0.002 0.000 2.030 288 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 288 Q C 1.922 177.996 176.000 0.124 0.000 0.986 288 Q CA 1.727 57.626 55.803 0.160 0.000 0.843 288 Q CB -0.256 28.602 28.738 0.200 0.000 0.904 288 Q HN 0.408 nan 8.270 nan 0.000 0.420 289 A N 0.516 123.399 122.820 0.105 0.000 1.908 289 A HA -0.153 4.166 4.320 -0.000 0.000 0.218 289 A C 2.293 179.892 177.584 0.025 0.000 1.181 289 A CA 1.755 53.845 52.037 0.088 0.000 0.627 289 A CB -1.425 17.661 19.000 0.143 0.000 0.818 289 A HN 0.646 nan 8.150 nan 0.000 0.445 290 G N -0.313 108.498 108.800 0.017 0.000 2.450 290 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 290 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 290 G C 1.355 176.184 174.900 -0.120 0.000 1.130 290 G CA 1.087 46.156 45.100 -0.052 0.000 0.760 290 G HN 0.741 nan 8.290 nan 0.000 0.557 291 N N 0.425 119.148 118.700 0.038 0.000 2.453 291 N HA -0.026 4.714 4.740 -0.000 0.000 0.183 291 N C 2.313 177.795 175.510 -0.046 0.000 1.041 291 N CA 0.337 53.465 53.050 0.131 0.000 0.900 291 N CB -0.097 38.640 38.487 0.417 0.000 0.961 291 N HN 0.338 nan 8.380 nan 0.000 0.443 292 G N 1.643 110.388 108.800 -0.091 0.000 2.450 292 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.220 292 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.220 292 G C 1.388 176.129 174.900 -0.265 0.000 1.130 292 G CA 0.400 45.408 45.100 -0.153 0.000 0.760 292 G HN 0.146 nan 8.290 nan 0.000 0.557 293 I N 0.638 120.984 120.570 -0.373 0.000 2.099 293 I HA -0.106 4.064 4.170 -0.000 0.000 0.239 293 I C 2.554 178.419 176.117 -0.420 0.000 1.066 293 I CA 1.143 62.154 61.300 -0.481 0.000 1.324 293 I CB -1.344 36.207 38.000 -0.749 0.000 1.037 293 I HN 0.129 nan 8.210 nan 0.000 0.401 294 F N 1.137 121.033 119.950 -0.090 0.000 2.206 294 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 294 F C 2.608 178.249 175.800 -0.266 0.000 1.090 294 F CA 0.781 58.684 58.000 -0.161 0.000 1.323 294 F CB -1.550 37.350 39.000 -0.166 0.000 1.028 294 F HN 0.005 nan 8.300 nan 0.000 0.492 295 A N 0.851 123.563 122.820 -0.180 0.000 1.858 295 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 295 A C 2.357 179.851 177.584 -0.150 0.000 1.190 295 A CA 1.632 53.544 52.037 -0.207 0.000 0.617 295 A CB -0.705 18.200 19.000 -0.158 0.000 0.827 295 A HN 0.317 nan 8.150 nan 0.000 0.443 296 R N -0.791 119.578 120.500 -0.217 0.000 2.092 296 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 296 R C 2.468 178.739 176.300 -0.049 0.000 1.119 296 R CA 1.328 57.278 56.100 -0.250 0.000 0.970 296 R CB -0.328 29.534 30.300 -0.730 0.000 0.864 296 R HN 0.660 nan 8.270 nan 0.000 0.440 297 Q N 0.271 120.048 119.800 -0.039 0.000 2.096 297 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 297 Q C 2.215 178.242 176.000 0.045 0.000 0.982 297 Q CA 1.730 57.555 55.803 0.037 0.000 0.850 297 Q CB -0.113 28.662 28.738 0.061 0.000 0.901 297 Q HN 0.400 nan 8.270 nan 0.000 0.422 298 A N 0.435 123.263 122.820 0.012 0.000 1.898 298 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 298 A C 1.970 179.579 177.584 0.041 0.000 1.181 298 A CA 1.059 53.104 52.037 0.014 0.000 0.620 298 A CB -0.579 18.402 19.000 -0.032 0.000 0.819 298 A HN 0.361 nan 8.150 nan 0.000 0.442 299 L N -0.295 120.957 121.223 0.048 0.000 2.046 299 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 299 L C 2.319 179.257 176.870 0.113 0.000 1.077 299 L CA 1.547 56.439 54.840 0.088 0.000 0.747 299 L CB -0.382 41.749 42.059 0.120 0.000 0.896 299 L HN 0.405 nan 8.230 nan 0.000 0.432 300 L N -1.101 120.205 121.223 0.139 0.000 2.093 300 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 300 L C 2.622 179.548 176.870 0.093 0.000 1.085 300 L CA 1.081 56.001 54.840 0.133 0.000 0.755 300 L CB -0.824 41.334 42.059 0.166 0.000 0.904 300 L HN 0.359 nan 8.230 nan 0.000 0.435 301 A N 0.160 123.030 122.820 0.083 0.000 1.902 301 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 301 A C 2.226 179.864 177.584 0.089 0.000 1.181 301 A CA 1.355 53.438 52.037 0.076 0.000 0.623 301 A CB -0.627 18.411 19.000 0.063 0.000 0.818 301 A HN 0.350 nan 8.150 nan 0.000 0.443 302 L N -0.573 120.701 121.223 0.085 0.000 2.056 302 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 302 L C 2.473 179.411 176.870 0.113 0.000 1.078 302 L CA 1.007 55.906 54.840 0.099 0.000 0.749 302 L CB -0.521 41.586 42.059 0.080 0.000 0.901 302 L HN 0.244 nan 8.230 nan 0.000 0.433 303 V N -0.133 119.823 119.914 0.070 0.000 2.453 303 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 303 V C 2.104 178.159 176.094 -0.064 0.000 1.048 303 V CA 1.395 63.697 62.300 0.002 0.000 1.049 303 V CB -0.219 31.607 31.823 0.004 0.000 0.672 303 V HN 0.361 nan 8.190 nan 0.000 0.457 304 L N -0.751 120.486 121.223 0.023 0.000 2.529 304 L HA 0.217 4.557 4.340 -0.000 0.000 0.223 304 L C 0.333 177.330 176.870 0.213 0.000 1.113 304 L CA 0.209 55.070 54.840 0.036 0.000 0.861 304 L CB -0.070 42.016 42.059 0.044 0.000 1.012 304 L HN 0.291 nan 8.230 nan 0.000 0.461 305 N N -0.147 118.708 118.700 0.259 0.000 2.372 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.291 305 N C 0.565 176.237 175.510 0.270 0.000 1.024 305 N CA -0.244 52.960 53.050 0.256 0.000 0.873 305 N CB 2.047 40.609 38.487 0.125 0.000 1.206 305 N HN -0.041 nan 8.380 nan 0.000 0.486 306 R N 1.599 122.080 120.500 -0.031 0.000 2.065 306 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 306 R C -0.378 175.823 176.300 -0.165 0.000 1.161 306 R CA 1.237 57.067 56.100 -0.451 0.000 0.923 306 R CB -0.085 29.797 30.300 -0.695 0.000 0.822 306 R HN 0.593 nan 8.270 nan 0.000 0.437 307 D N -0.639 119.692 120.400 -0.115 0.000 2.229 307 D HA 0.333 4.973 4.640 -0.000 0.000 0.249 307 D C -1.558 174.732 176.300 -0.016 0.000 1.027 307 D CA -0.454 53.511 54.000 -0.057 0.000 0.923 307 D CB 1.420 42.185 40.800 -0.059 0.000 1.174 307 D HN 0.069 nan 8.370 nan 0.000 0.443 308 L N 4.313 125.536 121.223 -0.000 0.000 2.595 308 L HA 0.343 4.683 4.340 -0.000 0.000 0.259 308 L C -1.806 175.071 176.870 0.012 0.000 1.033 308 L CA -0.746 54.102 54.840 0.014 0.000 0.901 308 L CB 1.291 43.368 42.059 0.030 0.000 1.151 308 L HN 0.246 nan 8.230 nan 0.000 0.453 309 V N 6.409 126.328 119.914 0.008 0.000 2.405 309 V HA 0.554 4.674 4.120 -0.000 0.000 0.264 309 V C -0.291 175.810 176.094 0.011 0.000 1.048 309 V CA 0.284 62.589 62.300 0.008 0.000 0.966 309 V CB 0.587 32.413 31.823 0.005 0.000 1.015 309 V HN 0.790 nan 8.190 nan 0.000 0.477 310 L N 0.000 121.231 121.223 0.013 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.848 54.840 0.014 0.000 0.813 310 L CB 0.000 42.069 42.059 0.017 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502