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 3a5f_1_A DATA FIRST_RESID 2 DATA SEQUENCE SIFKGSGVAI ITPFTNTGVD FDKLSELIEW HIKSKTDAII VCGTTGEATT DATA SEQUENCE MTETERKETI KFVIDKVNKR IPVIAGTGSN NTAASIAMSK WAESIGVDGL DATA SEQUENCE LVITPYYNKT TQKGLVKHFK AVSDAVSTPI IIYNVPGRTG LNITPGTLKE DATA SEQUENCE LCEDKNIVAV XEASGNISQI AQIKALCGDK LDIYSGNDDQ IIPILALGGI DATA SEQUENCE GVISVLANVI PEDVHNMCEL YLNGKVNEAL KIQLDSLALT NALFIETNPI DATA SEQUENCE PVKTAMNLMN MKVGDLRLPL CEMNENNLEI LKKELKAYNL M 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.639 174.600 0.065 0.000 1.055 2 S CA 0.000 58.204 58.200 0.006 0.000 1.107 2 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 3 I N 0.919 121.558 120.570 0.115 0.000 2.252 3 I HA 0.015 4.187 4.170 0.003 0.000 0.245 3 I C 0.516 176.806 176.117 0.287 0.000 1.102 3 I CA 1.656 63.070 61.300 0.189 0.000 1.385 3 I CB -0.013 38.136 38.000 0.249 0.000 1.064 3 I HN 0.623 nan 8.210 nan 0.000 0.414 4 F N -1.328 118.699 119.950 0.129 0.000 2.741 4 F HA 0.617 5.146 4.527 0.004 0.000 0.311 4 F C -1.417 174.499 175.800 0.193 0.000 1.149 4 F CA -1.473 56.590 58.000 0.105 0.000 0.930 4 F CB 0.988 40.008 39.000 0.033 0.000 1.312 4 F HN -0.396 nan 8.300 nan 0.000 0.450 5 K N 1.499 121.986 120.400 0.145 0.000 2.328 5 K HA 0.775 5.097 4.320 0.003 0.000 0.246 5 K C 0.010 176.785 176.600 0.291 0.000 0.955 5 K CA -0.564 55.762 56.287 0.065 0.000 0.817 5 K CB 1.937 34.463 32.500 0.043 0.000 1.208 5 K HN 1.297 nan 8.250 nan 0.000 0.432 6 G N 0.895 109.832 108.800 0.228 0.000 2.513 6 G HA2 -0.245 3.716 3.960 0.003 0.000 0.227 6 G HA3 -0.245 3.716 3.960 0.003 0.000 0.227 6 G C -0.868 174.260 174.900 0.381 0.000 1.176 6 G CA -0.290 44.966 45.100 0.260 0.000 0.967 6 G HN 0.521 nan 8.290 nan 0.000 0.587 7 S N 0.871 116.759 115.700 0.313 0.000 2.411 7 S HA 0.596 5.068 4.470 0.003 0.000 0.294 7 S C 0.494 175.126 174.600 0.053 0.000 1.115 7 S CA 0.751 59.072 58.200 0.202 0.000 1.071 7 S CB 0.262 63.550 63.200 0.146 0.000 0.967 7 S HN 1.940 nan 8.310 nan 0.000 0.488 8 G N 3.763 112.541 108.800 -0.038 0.000 2.415 8 G HA2 0.470 4.432 3.960 0.003 0.000 0.317 8 G HA3 0.470 4.432 3.960 0.003 0.000 0.317 8 G C -0.501 174.239 174.900 -0.266 0.000 1.152 8 G CA -0.482 44.348 45.100 -0.451 0.000 0.956 8 G HN 0.748 nan 8.290 nan 0.000 0.458 9 V N 3.212 122.941 119.914 -0.308 0.000 2.508 9 V HA 0.532 4.654 4.120 0.003 0.000 0.281 9 V C 0.846 176.796 176.094 -0.240 0.000 1.041 9 V CA -0.348 61.791 62.300 -0.269 0.000 1.016 9 V CB 0.861 32.404 31.823 -0.466 0.000 0.984 9 V HN 0.926 nan 8.190 nan 0.000 0.478 10 A N 8.070 130.798 122.820 -0.153 0.000 2.805 10 A HA 0.378 4.700 4.320 0.003 0.000 0.301 10 A C 0.131 177.659 177.584 -0.093 0.000 1.557 10 A CA -0.203 51.761 52.037 -0.121 0.000 1.254 10 A CB -0.487 18.458 19.000 -0.092 0.000 1.114 10 A HN 0.934 nan 8.150 nan 0.000 0.553 11 I N 3.440 123.941 120.570 -0.116 0.000 2.634 11 I HA 0.182 4.354 4.170 0.003 0.000 0.284 11 I C 0.693 176.779 176.117 -0.052 0.000 1.124 11 I CA -0.631 60.620 61.300 -0.083 0.000 1.417 11 I CB 0.642 38.585 38.000 -0.095 0.000 1.396 11 I HN 0.695 nan 8.210 nan 0.000 0.571 12 I N 3.829 124.377 120.570 -0.036 0.000 3.112 12 I HA 0.142 4.313 4.170 0.003 0.000 0.284 12 I C -0.098 175.923 176.117 -0.161 0.000 1.227 12 I CA -0.065 61.182 61.300 -0.088 0.000 1.369 12 I CB 0.299 38.249 38.000 -0.083 0.000 1.376 12 I HN 0.425 nan 8.210 nan 0.000 0.608 13 T N 5.245 119.616 114.554 -0.304 0.000 2.770 13 T HA 0.395 4.746 4.350 0.003 0.000 0.297 13 T C -2.449 171.752 174.700 -0.832 0.000 0.997 13 T CA -1.087 60.715 62.100 -0.497 0.000 0.949 13 T CB 0.766 69.332 68.868 -0.504 0.000 0.941 13 T HN 0.538 nan 8.240 nan 0.000 0.457 14 P HA 0.383 nan 4.420 nan 0.000 0.281 14 P C -1.055 175.949 177.300 -0.495 0.000 1.252 14 P CA -0.506 62.316 63.100 -0.462 0.000 0.778 14 P CB 0.474 32.025 31.700 -0.249 0.000 0.895 15 F N 0.790 120.672 119.950 -0.114 0.000 2.492 15 F HA 0.390 4.919 4.527 0.004 0.000 0.327 15 F C 1.612 177.353 175.800 -0.099 0.000 1.079 15 F CA -0.429 57.498 58.000 -0.121 0.000 0.967 15 F CB 1.192 40.139 39.000 -0.087 0.000 1.169 15 F HN 0.244 nan 8.300 nan 0.000 0.472 16 T N -2.104 112.515 114.554 0.109 0.000 2.793 16 T HA 0.181 4.533 4.350 0.003 0.000 0.299 16 T C 1.060 175.787 174.700 0.044 0.000 1.038 16 T CA -0.289 61.839 62.100 0.046 0.000 0.948 16 T CB 0.338 69.214 68.868 0.014 0.000 1.231 16 T HN 0.706 nan 8.240 nan 0.000 0.538 17 N N -0.503 118.204 118.700 0.012 0.000 2.459 17 N HA -0.073 4.669 4.740 0.003 0.000 0.181 17 N C 1.257 176.748 175.510 -0.032 0.000 1.046 17 N CA 0.996 54.041 53.050 -0.008 0.000 0.904 17 N CB -0.268 38.214 38.487 -0.008 0.000 0.964 17 N HN 0.785 nan 8.380 nan 0.000 0.444 18 T N -4.384 110.156 114.554 -0.023 0.000 3.043 18 T HA 0.539 4.891 4.350 0.003 0.000 0.272 18 T C 0.497 175.177 174.700 -0.035 0.000 0.990 18 T CA -0.086 61.993 62.100 -0.035 0.000 0.897 18 T CB 1.029 69.887 68.868 -0.017 0.000 1.111 18 T HN 0.323 nan 8.240 nan 0.000 0.529 19 G N 0.593 109.380 108.800 -0.021 0.000 2.435 19 G HA2 0.477 4.439 3.960 0.003 0.000 0.296 19 G HA3 0.477 4.439 3.960 0.003 0.000 0.296 19 G C -1.883 173.048 174.900 0.051 0.000 1.240 19 G CA -0.370 44.732 45.100 0.003 0.000 0.872 19 G HN 0.228 nan 8.290 nan 0.000 0.480 20 V N 1.260 121.146 119.914 -0.046 0.000 2.509 20 V HA 0.404 4.526 4.120 0.003 0.000 0.284 20 V C -0.438 175.374 176.094 -0.471 0.000 1.047 20 V CA -0.342 61.786 62.300 -0.287 0.000 0.952 20 V CB 1.650 33.067 31.823 -0.678 0.000 0.988 20 V HN 0.642 nan 8.190 nan 0.000 0.469 21 D N 3.346 123.518 120.400 -0.379 0.000 2.483 21 D HA 0.203 4.844 4.640 0.003 0.000 0.220 21 D C 0.654 176.723 176.300 -0.386 0.000 1.173 21 D CA -0.143 53.696 54.000 -0.268 0.000 0.964 21 D CB 0.295 41.003 40.800 -0.153 0.000 1.046 21 D HN 0.384 nan 8.370 nan 0.000 0.517 22 F N 1.061 120.864 119.950 -0.245 0.000 2.234 22 F HA -0.097 4.431 4.527 0.002 0.000 0.299 22 F C 2.011 177.638 175.800 -0.288 0.000 1.087 22 F CA 0.586 58.286 58.000 -0.500 0.000 1.340 22 F CB 0.023 38.574 39.000 -0.748 0.000 1.031 22 F HN 0.253 nan 8.300 nan 0.000 0.500 23 D N 0.178 120.588 120.400 0.017 0.000 2.097 23 D HA -0.164 4.478 4.640 0.003 0.000 0.195 23 D C 2.175 178.500 176.300 0.041 0.000 0.989 23 D CA 1.155 55.191 54.000 0.060 0.000 0.827 23 D CB -0.333 40.493 40.800 0.044 0.000 0.966 23 D HN 0.047 nan 8.370 nan 0.000 0.456 24 K N 0.693 121.082 120.400 -0.018 0.000 2.057 24 K HA -0.094 4.228 4.320 0.003 0.000 0.207 24 K C 1.931 178.534 176.600 0.004 0.000 1.049 24 K CA 0.514 56.784 56.287 -0.028 0.000 0.931 24 K CB -0.657 31.800 32.500 -0.071 0.000 0.714 24 K HN 0.041 nan 8.250 nan 0.000 0.440 25 L N 0.516 121.728 121.223 -0.017 0.000 2.042 25 L HA -0.118 4.224 4.340 0.003 0.000 0.210 25 L C 2.250 179.264 176.870 0.241 0.000 1.076 25 L CA 2.139 57.020 54.840 0.069 0.000 0.749 25 L CB -1.283 40.763 42.059 -0.021 0.000 0.893 25 L HN 0.332 nan 8.230 nan 0.000 0.432 26 S N -0.874 115.025 115.700 0.331 0.000 2.359 26 S HA -0.293 4.178 4.470 0.003 0.000 0.224 26 S C 2.091 176.814 174.600 0.205 0.000 1.035 26 S CA 1.704 60.121 58.200 0.361 0.000 1.018 26 S CB -0.444 62.985 63.200 0.382 0.000 0.876 26 S HN 0.652 nan 8.310 nan 0.000 0.448 27 E N 0.164 120.449 120.200 0.142 0.000 2.085 27 E HA -0.147 4.205 4.350 0.003 0.000 0.194 27 E C 2.137 178.821 176.600 0.139 0.000 0.994 27 E CA 1.337 57.796 56.400 0.098 0.000 0.801 27 E CB -0.223 29.493 29.700 0.027 0.000 0.743 27 E HN 0.573 nan 8.360 nan 0.000 0.453 28 L N 0.483 121.800 121.223 0.157 0.000 2.056 28 L HA -0.180 4.161 4.340 0.003 0.000 0.207 28 L C 2.555 179.653 176.870 0.381 0.000 1.078 28 L CA 0.840 55.846 54.840 0.277 0.000 0.749 28 L CB -0.340 41.873 42.059 0.257 0.000 0.901 28 L HN 0.229 nan 8.230 nan 0.000 0.433 29 I N -0.500 120.241 120.570 0.285 0.000 2.179 29 I HA -0.257 3.915 4.170 0.003 0.000 0.242 29 I C 2.622 178.854 176.117 0.192 0.000 1.088 29 I CA 1.141 62.581 61.300 0.234 0.000 1.357 29 I CB -0.312 37.786 38.000 0.163 0.000 1.051 29 I HN 0.262 nan 8.210 nan 0.000 0.409 30 E N -0.113 120.189 120.200 0.170 0.000 2.077 30 E HA -0.266 4.086 4.350 0.003 0.000 0.193 30 E C 1.782 178.477 176.600 0.158 0.000 0.989 30 E CA 1.258 57.736 56.400 0.129 0.000 0.800 30 E CB -0.433 29.333 29.700 0.110 0.000 0.746 30 E HN 0.612 nan 8.360 nan 0.000 0.452 31 W N 2.020 123.302 121.300 -0.030 0.000 2.358 31 W HA -0.180 4.480 4.660 -0.000 0.000 0.303 31 W C 2.145 178.569 176.519 -0.158 0.000 1.208 31 W CA 1.579 58.862 57.345 -0.103 0.000 1.274 31 W CB -0.447 28.920 29.460 -0.154 0.000 1.138 31 W HN 0.169 nan 8.180 nan 0.000 0.515 32 H N -0.042 118.993 119.070 -0.058 0.000 2.319 32 H HA -0.167 4.391 4.556 0.004 0.000 0.299 32 H C 2.308 177.503 175.328 -0.222 0.000 1.092 32 H CA 2.357 58.246 56.048 -0.265 0.000 1.302 32 H CB -0.728 28.954 29.762 -0.133 0.000 1.373 32 H HN 0.229 nan 8.280 nan 0.000 0.497 33 I N 0.810 121.376 120.570 -0.006 0.000 2.179 33 I HA -0.263 3.909 4.170 0.003 0.000 0.242 33 I C 2.512 178.573 176.117 -0.092 0.000 1.088 33 I CA 1.277 62.551 61.300 -0.044 0.000 1.357 33 I CB -0.169 37.823 38.000 -0.013 0.000 1.051 33 I HN 0.123 nan 8.210 nan 0.000 0.409 34 K N 0.181 120.530 120.400 -0.085 0.000 2.211 34 K HA -0.062 4.260 4.320 0.003 0.000 0.203 34 K C 1.812 178.315 176.600 -0.161 0.000 1.050 34 K CA 1.099 57.334 56.287 -0.088 0.000 0.945 34 K CB -0.007 32.480 32.500 -0.021 0.000 0.732 34 K HN 0.193 nan 8.250 nan 0.000 0.451 35 S N 0.423 115.948 115.700 -0.293 0.000 2.605 35 S HA 0.094 4.565 4.470 0.003 0.000 0.217 35 S C -0.089 174.338 174.600 -0.288 0.000 0.958 35 S CA 0.088 58.078 58.200 -0.352 0.000 0.919 35 S CB 0.135 62.912 63.200 -0.704 0.000 0.780 35 S HN 0.243 nan 8.310 nan 0.000 0.507 36 K N 0.336 120.566 120.400 -0.282 0.000 3.391 36 K HA -0.117 4.205 4.320 0.003 0.000 0.307 36 K C -0.484 175.864 176.600 -0.419 0.000 1.304 36 K CA 0.509 56.542 56.287 -0.423 0.000 0.904 36 K CB -2.532 29.574 32.500 -0.658 0.000 1.293 36 K HN 0.295 nan 8.250 nan 0.000 0.470 37 T N 1.788 116.219 114.554 -0.205 0.000 2.933 37 T HA -0.041 4.310 4.350 0.003 0.000 0.306 37 T C 1.108 175.738 174.700 -0.117 0.000 1.045 37 T CA 0.215 62.255 62.100 -0.101 0.000 1.143 37 T CB 0.491 69.345 68.868 -0.024 0.000 1.003 37 T HN 0.092 nan 8.240 nan 0.000 0.540 38 D N 1.047 121.411 120.400 -0.059 0.000 2.305 38 D HA 0.276 4.918 4.640 0.003 0.000 0.206 38 D C 0.703 176.884 176.300 -0.198 0.000 0.974 38 D CA 0.451 54.436 54.000 -0.025 0.000 0.871 38 D CB 0.430 41.350 40.800 0.199 0.000 0.947 38 D HN 0.638 nan 8.370 nan 0.000 0.516 39 A N 0.198 122.768 122.820 -0.416 0.000 2.608 39 A HA 0.602 4.924 4.320 0.003 0.000 0.292 39 A C -1.571 175.718 177.584 -0.491 0.000 1.066 39 A CA -0.621 51.068 52.037 -0.580 0.000 0.676 39 A CB 1.141 19.398 19.000 -1.239 0.000 1.277 39 A HN -0.002 nan 8.150 nan 0.000 0.413 40 I N 1.169 121.518 120.570 -0.370 0.000 2.406 40 I HA 0.401 4.573 4.170 0.003 0.000 0.290 40 I C -1.197 174.769 176.117 -0.253 0.000 0.999 40 I CA -0.596 60.523 61.300 -0.301 0.000 1.124 40 I CB 1.751 39.629 38.000 -0.203 0.000 1.289 40 I HN 0.436 nan 8.210 nan 0.000 0.441 41 I N 7.295 127.723 120.570 -0.236 0.000 2.330 41 I HA 0.271 4.442 4.170 0.003 0.000 0.289 41 I C -0.141 175.918 176.117 -0.097 0.000 1.001 41 I CA -0.362 60.842 61.300 -0.160 0.000 1.193 41 I CB 1.536 39.431 38.000 -0.175 0.000 1.345 41 I HN 0.211 nan 8.210 nan 0.000 0.461 42 V N 6.427 126.317 119.914 -0.040 0.000 2.483 42 V HA 0.349 4.471 4.120 0.003 0.000 0.295 42 V C 0.297 176.415 176.094 0.040 0.000 1.035 42 V CA -0.281 62.023 62.300 0.006 0.000 0.896 42 V CB 1.153 33.006 31.823 0.050 0.000 0.986 42 V HN 0.970 nan 8.190 nan 0.000 0.447 43 C N 4.959 124.283 119.300 0.040 0.000 4.454 43 C HA -0.124 4.337 4.460 0.003 0.000 0.301 43 C C 1.236 176.264 174.990 0.062 0.000 1.366 43 C CA 0.464 59.520 59.018 0.063 0.000 2.016 43 C CB -2.561 25.237 27.740 0.097 0.000 1.253 43 C HN 1.361 nan 8.230 nan 0.000 0.770 44 G N 0.255 109.074 108.800 0.032 0.000 2.535 44 G HA2 0.443 4.405 3.960 0.003 0.000 0.282 44 G HA3 0.443 4.405 3.960 0.003 0.000 0.282 44 G C 0.934 175.868 174.900 0.057 0.000 1.350 44 G CA 0.637 45.759 45.100 0.037 0.000 1.039 44 G HN 0.461 nan 8.290 nan 0.000 0.509 45 T N 0.072 114.677 114.554 0.086 0.000 2.720 45 T HA -0.155 4.197 4.350 0.003 0.000 0.268 45 T C 2.544 177.274 174.700 0.050 0.000 1.037 45 T CA 2.049 64.197 62.100 0.080 0.000 1.144 45 T CB -0.486 68.461 68.868 0.132 0.000 0.864 45 T HN 0.433 nan 8.240 nan 0.000 0.444 46 T N 1.063 115.639 114.554 0.035 0.000 2.962 46 T HA 0.023 4.375 4.350 0.003 0.000 0.270 46 T C 2.061 176.762 174.700 0.001 0.000 1.088 46 T CA 1.065 63.176 62.100 0.019 0.000 1.127 46 T CB -0.477 68.394 68.868 0.005 0.000 0.883 46 T HN 0.536 nan 8.240 nan 0.000 0.493 47 G N 0.551 109.351 108.800 0.001 0.000 2.920 47 G HA2 0.098 4.060 3.960 0.003 0.000 0.208 47 G HA3 0.098 4.060 3.960 0.003 0.000 0.208 47 G C 0.206 175.125 174.900 0.032 0.000 1.159 47 G CA -0.185 44.905 45.100 -0.017 0.000 0.784 47 G HN 0.573 nan 8.290 nan 0.000 0.535 48 E N -1.421 118.822 120.200 0.073 0.000 2.476 48 E HA -0.295 4.057 4.350 0.003 0.000 0.251 48 E C 1.696 178.390 176.600 0.156 0.000 1.130 48 E CA 0.032 56.517 56.400 0.141 0.000 0.736 48 E CB -1.417 28.442 29.700 0.265 0.000 1.298 48 E HN 0.512 nan 8.360 nan 0.000 0.400 49 A N 0.223 123.106 122.820 0.104 0.000 1.978 49 A HA -0.261 4.060 4.320 0.003 0.000 0.220 49 A C 2.374 180.004 177.584 0.077 0.000 1.170 49 A CA 2.167 54.263 52.037 0.098 0.000 0.636 49 A CB -0.799 18.255 19.000 0.089 0.000 0.810 49 A HN 0.566 nan 8.150 nan 0.000 0.448 50 T N -1.858 112.731 114.554 0.058 0.000 2.803 50 T HA -0.162 4.190 4.350 0.003 0.000 0.269 50 T C 1.533 176.247 174.700 0.023 0.000 1.052 50 T CA 1.994 64.117 62.100 0.038 0.000 1.136 50 T CB -1.118 67.755 68.868 0.008 0.000 0.864 50 T HN 0.683 nan 8.240 nan 0.000 0.467 51 T N -1.225 113.341 114.554 0.020 0.000 3.145 51 T HA 0.510 4.861 4.350 0.003 0.000 0.255 51 T C 0.323 174.977 174.700 -0.076 0.000 1.039 51 T CA -0.564 61.516 62.100 -0.035 0.000 0.928 51 T CB -0.494 68.340 68.868 -0.058 0.000 1.029 51 T HN 0.308 nan 8.240 nan 0.000 0.554 52 M N 2.908 122.502 119.600 -0.010 0.000 2.363 52 M HA 0.400 4.882 4.480 0.003 0.000 0.343 52 M C 0.673 176.965 176.300 -0.013 0.000 1.165 52 M CA -0.831 54.464 55.300 -0.008 0.000 1.046 52 M CB 1.806 34.459 32.600 0.088 0.000 1.648 52 M HN 0.246 nan 8.290 nan 0.000 0.452 53 T N -2.323 112.215 114.554 -0.027 0.000 2.766 53 T HA 0.087 4.439 4.350 0.003 0.000 0.295 53 T C 0.933 175.616 174.700 -0.027 0.000 1.024 53 T CA -0.464 61.620 62.100 -0.027 0.000 1.018 53 T CB 0.912 69.762 68.868 -0.031 0.000 1.002 53 T HN 0.857 nan 8.240 nan 0.000 0.532 54 E N 0.364 120.537 120.200 -0.046 0.000 2.118 54 E HA -0.178 4.173 4.350 0.003 0.000 0.195 54 E C 1.881 178.408 176.600 -0.120 0.000 0.992 54 E CA 1.667 58.015 56.400 -0.087 0.000 0.804 54 E CB -0.450 29.191 29.700 -0.098 0.000 0.741 54 E HN 0.817 nan 8.360 nan 0.000 0.458 55 T N 0.641 115.147 114.554 -0.079 0.000 2.821 55 T HA -0.118 4.233 4.350 0.003 0.000 0.267 55 T C 1.510 176.207 174.700 -0.005 0.000 1.046 55 T CA 1.345 63.407 62.100 -0.063 0.000 1.139 55 T CB -0.166 68.686 68.868 -0.028 0.000 0.871 55 T HN 0.278 nan 8.240 nan 0.000 0.454 56 E N 0.859 121.073 120.200 0.022 0.000 2.077 56 E HA -0.093 4.259 4.350 0.003 0.000 0.193 56 E C 2.573 179.229 176.600 0.094 0.000 0.989 56 E CA 0.828 57.279 56.400 0.084 0.000 0.800 56 E CB -0.057 29.685 29.700 0.069 0.000 0.746 56 E HN 0.395 nan 8.360 nan 0.000 0.452 57 R N 0.884 121.405 120.500 0.036 0.000 2.073 57 R HA -0.098 4.244 4.340 0.003 0.000 0.234 57 R C 2.312 178.626 176.300 0.024 0.000 1.134 57 R CA 1.251 57.376 56.100 0.041 0.000 0.952 57 R CB -0.138 30.169 30.300 0.010 0.000 0.850 57 R HN 0.031 nan 8.270 nan 0.000 0.433 58 K N 0.734 121.042 120.400 -0.153 0.000 2.026 58 K HA -0.164 4.158 4.320 0.003 0.000 0.208 58 K C 2.048 178.743 176.600 0.158 0.000 1.048 58 K CA 1.461 57.566 56.287 -0.304 0.000 0.929 58 K CB -0.039 31.998 32.500 -0.773 0.000 0.713 58 K HN 0.267 nan 8.250 nan 0.000 0.439 59 E N -0.033 120.258 120.200 0.151 0.000 2.110 59 E HA -0.137 4.215 4.350 0.003 0.000 0.193 59 E C 1.965 178.805 176.600 0.400 0.000 0.988 59 E CA 1.363 57.912 56.400 0.248 0.000 0.804 59 E CB -0.001 29.832 29.700 0.221 0.000 0.745 59 E HN 0.289 nan 8.360 nan 0.000 0.458 60 T N 1.265 116.057 114.554 0.396 0.000 2.737 60 T HA -0.085 4.267 4.350 0.003 0.000 0.265 60 T C 2.012 176.934 174.700 0.370 0.000 1.038 60 T CA 0.765 63.111 62.100 0.409 0.000 1.144 60 T CB -0.150 68.840 68.868 0.205 0.000 0.866 60 T HN 0.084 nan 8.240 nan 0.000 0.434 61 I N 0.912 121.678 120.570 0.326 0.000 2.163 61 I HA -0.194 3.978 4.170 0.003 0.000 0.243 61 I C 2.610 178.907 176.117 0.299 0.000 1.085 61 I CA 1.371 62.860 61.300 0.315 0.000 1.347 61 I CB -0.278 37.970 38.000 0.413 0.000 1.044 61 I HN 0.167 nan 8.210 nan 0.000 0.408 62 K N 0.636 121.264 120.400 0.380 0.000 2.097 62 K HA -0.233 4.088 4.320 0.003 0.000 0.206 62 K C 2.215 178.931 176.600 0.193 0.000 1.049 62 K CA 1.524 57.960 56.287 0.249 0.000 0.933 62 K CB -0.215 32.471 32.500 0.310 0.000 0.717 62 K HN 0.142 nan 8.250 nan 0.000 0.442 63 F N 0.907 120.939 119.950 0.137 0.000 2.095 63 F HA -0.233 4.296 4.527 0.002 0.000 0.298 63 F C 1.783 177.646 175.800 0.105 0.000 1.104 63 F CA 1.424 59.490 58.000 0.111 0.000 1.232 63 F CB -0.271 38.856 39.000 0.213 0.000 0.987 63 F HN -0.196 nan 8.300 nan 0.000 0.475 64 V N 0.866 120.940 119.914 0.267 0.000 2.295 64 V HA -0.328 3.794 4.120 0.003 0.000 0.246 64 V C 2.417 178.499 176.094 -0.019 0.000 1.049 64 V CA 2.168 64.538 62.300 0.117 0.000 1.024 64 V CB -0.701 31.209 31.823 0.145 0.000 0.648 64 V HN 0.375 nan 8.190 nan 0.000 0.447 65 I N 0.282 120.852 120.570 -0.001 0.000 2.118 65 I HA -0.289 3.882 4.170 0.003 0.000 0.241 65 I C 2.333 178.397 176.117 -0.090 0.000 1.070 65 I CA 1.941 63.214 61.300 -0.044 0.000 1.327 65 I CB -0.539 37.437 38.000 -0.041 0.000 1.034 65 I HN 0.330 nan 8.210 nan 0.000 0.405 66 D N 0.496 120.823 120.400 -0.122 0.000 2.117 66 D HA -0.183 4.459 4.640 0.003 0.000 0.198 66 D C 2.065 178.234 176.300 -0.219 0.000 0.982 66 D CA 1.123 55.028 54.000 -0.158 0.000 0.828 66 D CB -0.218 40.486 40.800 -0.160 0.000 0.967 66 D HN 0.104 nan 8.370 nan 0.000 0.464 67 K N 0.947 121.134 120.400 -0.356 0.000 2.026 67 K HA -0.068 4.254 4.320 0.003 0.000 0.208 67 K C 1.902 178.404 176.600 -0.162 0.000 1.048 67 K CA 0.788 56.873 56.287 -0.336 0.000 0.929 67 K CB -0.598 31.603 32.500 -0.499 0.000 0.713 67 K HN -0.047 nan 8.250 nan 0.000 0.439 68 V N 1.265 121.107 119.914 -0.121 0.000 2.407 68 V HA -0.206 3.916 4.120 0.003 0.000 0.248 68 V C 0.684 176.738 176.094 -0.067 0.000 1.055 68 V CA 1.561 63.818 62.300 -0.072 0.000 1.049 68 V CB -1.132 30.655 31.823 -0.060 0.000 0.662 68 V HN 0.775 nan 8.190 nan 0.000 0.455 69 N N 0.187 118.842 118.700 -0.077 0.000 2.725 69 N HA -0.276 4.466 4.740 0.003 0.000 0.251 69 N C 0.461 175.943 175.510 -0.048 0.000 1.031 69 N CA 0.913 53.925 53.050 -0.063 0.000 0.720 69 N CB -0.864 37.586 38.487 -0.062 0.000 0.930 69 N HN 0.475 nan 8.380 nan 0.000 0.543 70 K N -2.398 117.974 120.400 -0.046 0.000 3.500 70 K HA -0.247 4.075 4.320 0.003 0.000 0.313 70 K C 1.226 177.807 176.600 -0.031 0.000 1.338 70 K CA 1.407 57.672 56.287 -0.036 0.000 0.963 70 K CB -1.471 31.011 32.500 -0.030 0.000 1.267 70 K HN 0.686 nan 8.250 nan 0.000 0.448 71 R N 0.467 120.946 120.500 -0.035 0.000 2.075 71 R HA 0.031 4.373 4.340 0.003 0.000 0.232 71 R C 1.603 177.884 176.300 -0.033 0.000 1.126 71 R CA 1.742 57.823 56.100 -0.031 0.000 0.963 71 R CB -0.166 30.115 30.300 -0.032 0.000 0.858 71 R HN 0.532 nan 8.270 nan 0.000 0.435 72 I N -3.299 117.245 120.570 -0.043 0.000 3.095 72 I HA 0.501 4.673 4.170 0.003 0.000 0.310 72 I C -2.901 173.179 176.117 -0.061 0.000 1.196 72 I CA -3.362 57.907 61.300 -0.052 0.000 0.985 72 I CB 2.422 40.375 38.000 -0.079 0.000 1.250 72 I HN -0.326 nan 8.210 nan 0.000 0.446 73 P HA 0.230 nan 4.420 nan 0.000 0.271 73 P C -0.937 176.291 177.300 -0.119 0.000 1.216 73 P CA -0.150 62.914 63.100 -0.060 0.000 0.776 73 P CB 0.969 32.665 31.700 -0.007 0.000 0.881 74 V N 4.866 124.730 119.914 -0.084 0.000 2.448 74 V HA 0.420 4.542 4.120 0.003 0.000 0.295 74 V C 0.194 176.251 176.094 -0.062 0.000 1.025 74 V CA -0.392 61.855 62.300 -0.087 0.000 0.859 74 V CB 1.400 33.188 31.823 -0.057 0.000 0.988 74 V HN 0.387 nan 8.190 nan 0.000 0.431 75 I N 3.693 124.217 120.570 -0.076 0.000 2.433 75 I HA 0.770 4.942 4.170 0.003 0.000 0.292 75 I C 0.226 176.337 176.117 -0.010 0.000 1.001 75 I CA -0.488 60.791 61.300 -0.035 0.000 1.119 75 I CB 2.006 39.973 38.000 -0.054 0.000 1.289 75 I HN 0.690 nan 8.210 nan 0.000 0.438 76 A N 4.146 126.987 122.820 0.035 0.000 2.337 76 A HA 0.755 5.077 4.320 0.003 0.000 0.329 76 A C 0.184 177.824 177.584 0.094 0.000 1.146 76 A CA -0.627 51.456 52.037 0.077 0.000 0.800 76 A CB 1.057 20.135 19.000 0.130 0.000 1.220 76 A HN 0.827 nan 8.150 nan 0.000 0.472 77 G N 0.710 109.569 108.800 0.098 0.000 2.356 77 G HA2 0.407 4.369 3.960 0.003 0.000 0.273 77 G HA3 0.407 4.369 3.960 0.003 0.000 0.273 77 G C 0.673 175.666 174.900 0.155 0.000 1.213 77 G CA 0.624 45.799 45.100 0.125 0.000 0.955 77 G HN 1.269 nan 8.290 nan 0.000 0.454 78 T N -0.301 114.355 114.554 0.169 0.000 3.058 78 T HA 0.353 4.705 4.350 0.003 0.000 0.278 78 T C 1.008 175.808 174.700 0.168 0.000 0.974 78 T CA 0.348 62.553 62.100 0.174 0.000 0.893 78 T CB 0.616 69.591 68.868 0.179 0.000 1.138 78 T HN 0.666 nan 8.240 nan 0.000 0.529 79 G N 0.793 109.711 108.800 0.197 0.000 2.425 79 G HA2 0.557 4.519 3.960 0.003 0.000 0.302 79 G HA3 0.557 4.519 3.960 0.003 0.000 0.302 79 G C -0.780 174.260 174.900 0.233 0.000 1.159 79 G CA -0.358 44.870 45.100 0.213 0.000 0.865 79 G HN 0.391 nan 8.290 nan 0.000 0.515 80 S N -0.916 114.905 115.700 0.201 0.000 2.704 80 S HA 0.356 4.828 4.470 0.003 0.000 0.296 80 S C 0.855 175.418 174.600 -0.062 0.000 1.138 80 S CA -0.540 57.751 58.200 0.152 0.000 0.875 80 S CB 1.399 64.653 63.200 0.090 0.000 1.151 80 S HN 0.671 nan 8.310 nan 0.000 0.500 81 N N 1.793 120.237 118.700 -0.426 0.000 2.461 81 N HA 0.039 4.781 4.740 0.003 0.000 0.188 81 N C -0.250 175.092 175.510 -0.280 0.000 1.134 81 N CA 0.066 52.762 53.050 -0.590 0.000 0.878 81 N CB -0.537 37.326 38.487 -1.040 0.000 0.972 81 N HN 0.423 nan 8.380 nan 0.000 0.456 82 N N 0.292 118.921 118.700 -0.119 0.000 2.446 82 N HA 0.188 4.930 4.740 0.003 0.000 0.265 82 N C 0.044 175.573 175.510 0.032 0.000 0.975 82 N CA -0.159 52.865 53.050 -0.044 0.000 0.928 82 N CB 1.437 39.906 38.487 -0.031 0.000 1.160 82 N HN -0.110 nan 8.380 nan 0.000 0.495 83 T N 2.187 116.778 114.554 0.061 0.000 2.746 83 T HA -0.088 4.264 4.350 0.003 0.000 0.267 83 T C 1.790 176.475 174.700 -0.025 0.000 1.039 83 T CA 1.753 63.882 62.100 0.049 0.000 1.142 83 T CB -0.164 68.743 68.868 0.066 0.000 0.866 83 T HN 0.666 nan 8.240 nan 0.000 0.444 84 A N 1.601 124.414 122.820 -0.011 0.000 1.908 84 A HA 0.087 4.409 4.320 0.003 0.000 0.218 84 A C 2.659 180.243 177.584 0.001 0.000 1.181 84 A CA 1.960 53.990 52.037 -0.010 0.000 0.627 84 A CB -1.164 17.832 19.000 -0.006 0.000 0.818 84 A HN 0.519 nan 8.150 nan 0.000 0.445 85 A N -0.675 122.151 122.820 0.010 0.000 1.902 85 A HA -0.047 4.275 4.320 0.003 0.000 0.217 85 A C 2.436 180.041 177.584 0.036 0.000 1.181 85 A CA 2.014 54.064 52.037 0.022 0.000 0.623 85 A CB -0.844 18.171 19.000 0.024 0.000 0.818 85 A HN 0.461 nan 8.150 nan 0.000 0.443 86 S N -0.026 115.693 115.700 0.032 0.000 2.368 86 S HA -0.137 4.335 4.470 0.003 0.000 0.225 86 S C 1.804 176.413 174.600 0.016 0.000 1.030 86 S CA 1.517 59.737 58.200 0.035 0.000 0.999 86 S CB -0.522 62.679 63.200 0.001 0.000 0.844 86 S HN 0.548 nan 8.310 nan 0.000 0.459 87 I N 1.768 122.326 120.570 -0.020 0.000 2.127 87 I HA -0.260 3.912 4.170 0.003 0.000 0.241 87 I C 2.753 178.896 176.117 0.043 0.000 1.075 87 I CA 1.285 62.581 61.300 -0.006 0.000 1.334 87 I CB -0.569 37.416 38.000 -0.025 0.000 1.040 87 I HN 0.277 nan 8.210 nan 0.000 0.405 88 A N 0.159 123.009 122.820 0.050 0.000 1.902 88 A HA -0.274 4.048 4.320 0.003 0.000 0.217 88 A C 2.281 179.950 177.584 0.142 0.000 1.181 88 A CA 2.096 54.181 52.037 0.080 0.000 0.623 88 A CB -0.627 18.406 19.000 0.055 0.000 0.818 88 A HN 0.405 nan 8.150 nan 0.000 0.443 89 M N 0.049 119.729 119.600 0.133 0.000 2.175 89 M HA -0.053 4.429 4.480 0.003 0.000 0.264 89 M C 2.132 178.597 176.300 0.275 0.000 1.063 89 M CA 2.010 57.434 55.300 0.207 0.000 1.119 89 M CB -0.482 32.206 32.600 0.147 0.000 1.377 89 M HN 0.309 nan 8.290 nan 0.000 0.415 90 S N 0.192 115.995 115.700 0.172 0.000 2.368 90 S HA -0.126 4.345 4.470 0.003 0.000 0.224 90 S C 1.858 176.524 174.600 0.110 0.000 1.029 90 S CA 1.374 59.655 58.200 0.136 0.000 0.988 90 S CB -0.290 62.964 63.200 0.089 0.000 0.838 90 S HN 0.504 nan 8.310 nan 0.000 0.462 91 K N -0.064 120.400 120.400 0.108 0.000 2.057 91 K HA -0.160 4.162 4.320 0.003 0.000 0.207 91 K C 1.872 178.522 176.600 0.082 0.000 1.049 91 K CA 1.441 57.774 56.287 0.076 0.000 0.931 91 K CB -0.223 32.323 32.500 0.077 0.000 0.714 91 K HN 0.498 nan 8.250 nan 0.000 0.440 92 W N 1.554 122.867 121.300 0.023 0.000 2.355 92 W HA -0.235 4.427 4.660 0.003 0.000 0.309 92 W C 2.142 178.678 176.519 0.028 0.000 1.206 92 W CA 2.164 59.525 57.345 0.025 0.000 1.284 92 W CB -0.369 29.108 29.460 0.029 0.000 1.145 92 W HN 0.058 nan 8.180 nan 0.000 0.502 93 A N 0.139 122.869 122.820 -0.149 0.000 1.933 93 A HA -0.258 4.064 4.320 0.003 0.000 0.218 93 A C 1.992 179.366 177.584 -0.350 0.000 1.175 93 A CA 1.943 53.726 52.037 -0.424 0.000 0.628 93 A CB -1.194 17.820 19.000 0.024 0.000 0.814 93 A HN 0.571 nan 8.150 nan 0.000 0.444 94 E N 0.646 120.740 120.200 -0.177 0.000 2.085 94 E HA -0.220 4.131 4.350 0.003 0.000 0.194 94 E C 2.076 178.562 176.600 -0.190 0.000 0.994 94 E CA 1.853 58.173 56.400 -0.134 0.000 0.801 94 E CB -0.189 29.475 29.700 -0.060 0.000 0.743 94 E HN 0.715 nan 8.360 nan 0.000 0.453 95 S N 0.661 116.211 115.700 -0.249 0.000 2.447 95 S HA -0.148 4.324 4.470 0.003 0.000 0.233 95 S C 1.878 176.314 174.600 -0.274 0.000 1.006 95 S CA 1.020 59.086 58.200 -0.223 0.000 0.957 95 S CB -0.628 62.457 63.200 -0.192 0.000 0.773 95 S HN 0.534 nan 8.310 nan 0.000 0.507 96 I N -2.945 117.370 120.570 -0.425 0.000 3.914 96 I HA 0.672 4.844 4.170 0.003 0.000 0.333 96 I C 1.081 177.050 176.117 -0.246 0.000 1.449 96 I CA 0.027 61.115 61.300 -0.353 0.000 1.135 96 I CB 0.064 37.778 38.000 -0.477 0.000 1.073 96 I HN 0.270 nan 8.210 nan 0.000 0.401 97 G N 1.098 109.777 108.800 -0.202 0.000 2.131 97 G HA2 -0.214 3.748 3.960 0.003 0.000 0.201 97 G HA3 -0.214 3.748 3.960 0.003 0.000 0.201 97 G C 0.084 174.919 174.900 -0.108 0.000 1.000 97 G CA 0.025 45.048 45.100 -0.128 0.000 0.680 97 G HN 0.364 nan 8.290 nan 0.000 0.514 98 V N 0.365 120.203 119.914 -0.126 0.000 2.999 98 V HA 0.251 4.373 4.120 0.003 0.000 0.307 98 V C 1.336 177.404 176.094 -0.045 0.000 1.084 98 V CA 1.041 63.295 62.300 -0.076 0.000 1.155 98 V CB 0.867 32.649 31.823 -0.068 0.000 0.975 98 V HN 0.355 nan 8.190 nan 0.000 0.490 99 D N 3.075 123.461 120.400 -0.024 0.000 2.327 99 D HA 0.212 4.853 4.640 0.003 0.000 0.205 99 D C 0.465 176.778 176.300 0.021 0.000 0.989 99 D CA 1.197 55.196 54.000 -0.002 0.000 0.873 99 D CB 0.806 41.608 40.800 0.003 0.000 0.955 99 D HN 0.708 nan 8.370 nan 0.000 0.515 100 G N -0.001 108.813 108.800 0.024 0.000 2.646 100 G HA2 0.551 4.513 3.960 0.003 0.000 0.291 100 G HA3 0.551 4.513 3.960 0.003 0.000 0.291 100 G C -1.779 173.151 174.900 0.050 0.000 1.445 100 G CA -0.714 44.415 45.100 0.048 0.000 0.814 100 G HN -0.005 nan 8.290 nan 0.000 0.495 101 L N 0.701 121.967 121.223 0.072 0.000 2.333 101 L HA 0.521 4.863 4.340 0.003 0.000 0.280 101 L C -0.728 176.209 176.870 0.112 0.000 1.004 101 L CA -0.898 53.998 54.840 0.093 0.000 0.820 101 L CB 1.976 44.097 42.059 0.103 0.000 1.247 101 L HN 0.394 nan 8.230 nan 0.000 0.416 102 L N 5.301 126.591 121.223 0.112 0.000 2.255 102 L HA 0.478 4.819 4.340 0.003 0.000 0.289 102 L C -0.655 176.339 176.870 0.207 0.000 1.046 102 L CA -0.031 54.886 54.840 0.128 0.000 0.816 102 L CB 1.271 43.365 42.059 0.058 0.000 1.197 102 L HN 0.307 nan 8.230 nan 0.000 0.427 103 V N 7.305 127.390 119.914 0.285 0.000 2.325 103 V HA 0.340 4.462 4.120 0.003 0.000 0.280 103 V C 0.433 176.829 176.094 0.504 0.000 1.016 103 V CA -0.638 61.888 62.300 0.378 0.000 0.818 103 V CB 1.222 33.299 31.823 0.424 0.000 1.019 103 V HN 0.720 nan 8.190 nan 0.000 0.434 104 I N 4.373 125.202 120.570 0.431 0.000 2.836 104 I HA 0.170 4.342 4.170 0.003 0.000 0.285 104 I C 1.395 177.755 176.117 0.404 0.000 1.174 104 I CA 0.287 61.826 61.300 0.398 0.000 1.405 104 I CB 1.456 39.640 38.000 0.307 0.000 1.385 104 I HN 0.878 nan 8.210 nan 0.000 0.594 105 T N 4.502 119.273 114.554 0.362 0.000 2.791 105 T HA 0.205 4.557 4.350 0.003 0.000 0.323 105 T C -2.356 172.346 174.700 0.003 0.000 1.082 105 T CA -1.076 61.149 62.100 0.208 0.000 1.084 105 T CB 0.290 69.266 68.868 0.181 0.000 0.992 105 T HN 0.341 nan 8.240 nan 0.000 0.547 106 P HA 0.247 nan 4.420 nan 0.000 0.269 106 P C -1.111 176.133 177.300 -0.093 0.000 1.217 106 P CA -0.039 62.856 63.100 -0.342 0.000 0.783 106 P CB -0.016 31.420 31.700 -0.440 0.000 0.898 107 Y N -0.281 119.978 120.300 -0.070 0.000 2.544 107 Y HA 0.496 5.047 4.550 0.003 0.000 0.342 107 Y C 0.649 176.582 175.900 0.056 0.000 1.062 107 Y CA -1.236 56.859 58.100 -0.007 0.000 1.023 107 Y CB 0.323 38.791 38.460 0.012 0.000 1.308 107 Y HN 0.533 nan 8.280 nan 0.000 0.457 108 Y N 2.267 122.636 120.300 0.115 0.000 2.739 108 Y HA -0.494 4.057 4.550 0.003 0.000 0.479 108 Y C 1.621 177.509 175.900 -0.019 0.000 1.139 108 Y CA 2.955 61.089 58.100 0.056 0.000 2.846 108 Y CB -1.701 36.825 38.460 0.110 0.000 1.043 108 Y HN 0.852 nan 8.280 nan 0.000 0.581 109 N N 2.778 121.107 118.700 -0.618 0.000 2.166 109 N HA -0.086 4.656 4.740 0.003 0.000 0.186 109 N C 0.730 176.064 175.510 -0.293 0.000 1.019 109 N CA 1.879 54.607 53.050 -0.537 0.000 0.856 109 N CB -0.381 37.849 38.487 -0.429 0.000 0.993 109 N HN 0.846 nan 8.380 nan 0.000 0.426 110 K N -2.095 118.173 120.400 -0.219 0.000 1.312 110 K HA -0.215 4.106 4.320 0.003 0.000 0.723 110 K C -0.227 176.281 176.600 -0.154 0.000 1.921 110 K CA 1.331 57.530 56.287 -0.147 0.000 1.159 110 K CB -1.488 30.960 32.500 -0.087 0.000 2.100 110 K HN 0.476 nan 8.250 nan 0.000 0.497 111 T N -1.392 113.097 114.554 -0.108 0.000 2.654 111 T HA 0.371 4.722 4.350 0.003 0.000 0.303 111 T C -1.307 173.365 174.700 -0.047 0.000 1.656 111 T CA -0.051 61.998 62.100 -0.085 0.000 0.971 111 T CB 1.157 69.965 68.868 -0.100 0.000 1.811 111 T HN 0.836 nan 8.240 nan 0.000 0.483 112 T N 0.732 115.268 114.554 -0.030 0.000 2.788 112 T HA 0.380 4.732 4.350 0.003 0.000 0.280 112 T C 1.224 175.929 174.700 0.008 0.000 0.984 112 T CA -0.480 61.613 62.100 -0.010 0.000 0.972 112 T CB 0.723 69.586 68.868 -0.008 0.000 1.039 112 T HN 0.523 nan 8.240 nan 0.000 0.530 113 Q N 0.303 120.113 119.800 0.017 0.000 2.124 113 Q HA -0.126 4.216 4.340 0.003 0.000 0.202 113 Q C 2.192 178.218 176.000 0.044 0.000 0.977 113 Q CA 1.606 57.430 55.803 0.035 0.000 0.850 113 Q CB -0.473 28.282 28.738 0.028 0.000 0.901 113 Q HN 0.873 nan 8.270 nan 0.000 0.429 114 K N 0.298 120.716 120.400 0.030 0.000 2.063 114 K HA -0.137 4.185 4.320 0.003 0.000 0.208 114 K C 2.063 178.687 176.600 0.040 0.000 1.048 114 K CA 1.532 57.838 56.287 0.032 0.000 0.928 114 K CB -0.409 32.102 32.500 0.018 0.000 0.713 114 K HN 0.240 nan 8.250 nan 0.000 0.442 115 G N 1.308 110.124 108.800 0.027 0.000 2.422 115 G HA2 -0.209 3.753 3.960 0.003 0.000 0.218 115 G HA3 -0.209 3.753 3.960 0.003 0.000 0.218 115 G C 1.510 176.443 174.900 0.055 0.000 1.146 115 G CA 0.661 45.775 45.100 0.023 0.000 0.769 115 G HN 0.227 nan 8.290 nan 0.000 0.547 116 L N 0.199 121.469 121.223 0.078 0.000 2.046 116 L HA -0.110 4.232 4.340 0.003 0.000 0.208 116 L C 3.015 180.055 176.870 0.283 0.000 1.077 116 L CA 0.598 55.544 54.840 0.177 0.000 0.747 116 L CB -0.422 41.764 42.059 0.211 0.000 0.896 116 L HN 0.101 nan 8.230 nan 0.000 0.432 117 V N -0.157 119.871 119.914 0.191 0.000 2.343 117 V HA -0.307 3.814 4.120 0.003 0.000 0.247 117 V C 2.449 178.637 176.094 0.156 0.000 1.051 117 V CA 1.803 64.211 62.300 0.180 0.000 1.036 117 V CB -0.538 31.347 31.823 0.104 0.000 0.654 117 V HN 0.426 nan 8.190 nan 0.000 0.451 118 K N -0.671 119.793 120.400 0.106 0.000 2.057 118 K HA -0.234 4.088 4.320 0.003 0.000 0.207 118 K C 2.196 178.833 176.600 0.062 0.000 1.049 118 K CA 1.927 58.256 56.287 0.069 0.000 0.931 118 K CB -0.371 32.156 32.500 0.045 0.000 0.714 118 K HN 0.611 nan 8.250 nan 0.000 0.440 119 H N 0.056 119.092 119.070 -0.056 0.000 2.290 119 H HA -0.135 4.423 4.556 0.003 0.000 0.298 119 H C 1.698 176.907 175.328 -0.199 0.000 1.087 119 H CA 2.026 57.964 56.048 -0.183 0.000 1.291 119 H CB -0.160 29.403 29.762 -0.332 0.000 1.369 119 H HN 0.083 nan 8.280 nan 0.000 0.492 120 F N 0.842 120.835 119.950 0.072 0.000 2.234 120 F HA -0.017 4.512 4.527 0.003 0.000 0.299 120 F C 2.419 178.205 175.800 -0.023 0.000 1.087 120 F CA 1.123 59.130 58.000 0.011 0.000 1.340 120 F CB -0.168 38.888 39.000 0.092 0.000 1.031 120 F HN 0.135 nan 8.300 nan 0.000 0.500 121 K N -0.052 120.437 120.400 0.148 0.000 2.148 121 K HA -0.070 4.252 4.320 0.003 0.000 0.204 121 K C 2.329 178.939 176.600 0.017 0.000 1.050 121 K CA 1.013 57.346 56.287 0.077 0.000 0.942 121 K CB -0.406 32.134 32.500 0.066 0.000 0.724 121 K HN 0.216 nan 8.250 nan 0.000 0.446 122 A N 1.120 123.919 122.820 -0.035 0.000 1.877 122 A HA -0.122 4.200 4.320 0.003 0.000 0.216 122 A C 2.378 179.913 177.584 -0.081 0.000 1.186 122 A CA 1.379 53.376 52.037 -0.066 0.000 0.620 122 A CB -0.664 18.279 19.000 -0.096 0.000 0.822 122 A HN 0.051 nan 8.150 nan 0.000 0.443 123 V N -0.470 119.359 119.914 -0.140 0.000 2.261 123 V HA -0.223 3.899 4.120 0.003 0.000 0.246 123 V C 2.816 178.906 176.094 -0.006 0.000 1.047 123 V CA 2.384 64.625 62.300 -0.097 0.000 1.015 123 V CB -0.906 30.826 31.823 -0.152 0.000 0.642 123 V HN 0.652 nan 8.190 nan 0.000 0.446 124 S N -0.324 115.396 115.700 0.032 0.000 2.368 124 S HA -0.238 4.233 4.470 0.003 0.000 0.225 124 S C 1.709 176.326 174.600 0.028 0.000 1.030 124 S CA 1.799 60.028 58.200 0.049 0.000 0.999 124 S CB -0.509 62.733 63.200 0.071 0.000 0.844 124 S HN 0.644 nan 8.310 nan 0.000 0.459 125 D N 1.057 121.468 120.400 0.018 0.000 2.264 125 D HA 0.068 4.709 4.640 0.003 0.000 0.208 125 D C 1.814 178.120 176.300 0.009 0.000 0.966 125 D CA 1.014 55.022 54.000 0.013 0.000 0.864 125 D CB -0.325 40.480 40.800 0.008 0.000 0.933 125 D HN 0.507 nan 8.370 nan 0.000 0.499 126 A N 0.128 122.952 122.820 0.006 0.000 2.169 126 A HA 0.219 4.540 4.320 0.003 0.000 0.212 126 A C 1.070 178.662 177.584 0.013 0.000 1.153 126 A CA 0.340 52.382 52.037 0.007 0.000 0.756 126 A CB 0.095 19.097 19.000 0.003 0.000 0.813 126 A HN 0.129 nan 8.150 nan 0.000 0.471 127 V N -3.814 116.109 119.914 0.016 0.000 3.158 127 V HA 0.806 4.927 4.120 0.003 0.000 0.311 127 V C -0.060 176.043 176.094 0.016 0.000 1.181 127 V CA -0.038 62.273 62.300 0.017 0.000 1.054 127 V CB 1.787 33.625 31.823 0.025 0.000 1.085 127 V HN 0.508 nan 8.190 nan 0.000 0.446 128 S N -1.279 114.428 115.700 0.011 0.000 2.794 128 S HA 0.471 4.943 4.470 0.003 0.000 0.244 128 S C -0.041 174.565 174.600 0.010 0.000 1.045 128 S CA -0.257 57.949 58.200 0.010 0.000 1.114 128 S CB -0.129 63.074 63.200 0.005 0.000 1.085 128 S HN 0.987 nan 8.310 nan 0.000 0.488 129 T N 3.755 118.319 114.554 0.017 0.000 2.863 129 T HA 0.606 4.958 4.350 0.003 0.000 0.285 129 T C -3.062 171.660 174.700 0.035 0.000 1.009 129 T CA -1.627 60.485 62.100 0.020 0.000 0.989 129 T CB 1.773 70.649 68.868 0.014 0.000 1.004 129 T HN 0.024 nan 8.240 nan 0.000 0.455 130 P HA 0.297 nan 4.420 nan 0.000 0.268 130 P C -0.812 176.530 177.300 0.070 0.000 1.205 130 P CA -0.087 63.045 63.100 0.053 0.000 0.771 130 P CB 0.354 32.089 31.700 0.059 0.000 0.858 131 I N 3.684 124.299 120.570 0.077 0.000 2.433 131 I HA 0.372 4.544 4.170 0.003 0.000 0.292 131 I C 0.119 176.294 176.117 0.096 0.000 1.001 131 I CA -0.680 60.679 61.300 0.099 0.000 1.119 131 I CB 1.403 39.473 38.000 0.117 0.000 1.289 131 I HN 0.095 nan 8.210 nan 0.000 0.438 132 I N 6.904 127.545 120.570 0.118 0.000 2.328 132 I HA 0.359 4.531 4.170 0.003 0.000 0.287 132 I C 0.049 176.243 176.117 0.128 0.000 1.012 132 I CA -0.535 60.839 61.300 0.123 0.000 1.195 132 I CB 1.020 39.102 38.000 0.137 0.000 1.350 132 I HN 0.372 nan 8.210 nan 0.000 0.464 133 I N 6.306 126.904 120.570 0.046 0.000 2.648 133 I HA -0.002 4.170 4.170 0.003 0.000 0.284 133 I C -0.378 175.844 176.117 0.175 0.000 1.153 133 I CA 0.232 61.530 61.300 -0.003 0.000 1.426 133 I CB 0.322 38.112 38.000 -0.349 0.000 1.381 133 I HN 0.553 nan 8.210 nan 0.000 0.571 134 Y N 6.627 126.997 120.300 0.116 0.000 2.345 134 Y HA 0.341 4.893 4.550 0.004 0.000 0.331 134 Y C -0.447 175.521 175.900 0.114 0.000 0.959 134 Y CA -1.119 57.047 58.100 0.110 0.000 1.204 134 Y CB 1.063 39.596 38.460 0.121 0.000 1.135 134 Y HN 0.564 nan 8.280 nan 0.000 0.477 135 N N 5.179 124.002 118.700 0.205 0.000 2.444 135 N HA 0.325 5.067 4.740 0.003 0.000 0.262 135 N C -1.724 173.709 175.510 -0.129 0.000 0.974 135 N CA -0.259 52.793 53.050 0.004 0.000 0.933 135 N CB 1.781 40.295 38.487 0.045 0.000 1.137 135 N HN 0.450 nan 8.380 nan 0.000 0.498 136 V N 7.229 126.973 119.914 -0.283 0.000 2.666 136 V HA 0.384 4.506 4.120 0.003 0.000 0.269 136 V C -1.923 174.073 176.094 -0.164 0.000 0.926 136 V CA -1.382 60.750 62.300 -0.280 0.000 1.035 136 V CB 1.407 32.882 31.823 -0.580 0.000 1.099 136 V HN 0.629 nan 8.190 nan 0.000 0.519 137 P HA -0.040 nan 4.420 nan 0.000 0.220 137 P C 1.592 178.866 177.300 -0.044 0.000 1.148 137 P CA 1.582 64.652 63.100 -0.050 0.000 0.803 137 P CB 0.169 31.852 31.700 -0.028 0.000 0.782 138 G N -0.073 108.694 108.800 -0.055 0.000 2.471 138 G HA2 -0.194 3.767 3.960 0.003 0.000 0.219 138 G HA3 -0.194 3.767 3.960 0.003 0.000 0.219 138 G C 1.766 176.638 174.900 -0.047 0.000 1.125 138 G CA 0.286 45.358 45.100 -0.046 0.000 0.775 138 G HN 0.277 nan 8.290 nan 0.000 0.548 139 R N -0.561 119.897 120.500 -0.071 0.000 2.146 139 R HA 0.060 4.402 4.340 0.003 0.000 0.206 139 R C 2.766 179.036 176.300 -0.050 0.000 1.049 139 R CA 1.348 57.402 56.100 -0.077 0.000 1.029 139 R CB -0.117 30.108 30.300 -0.126 0.000 0.949 139 R HN 0.429 nan 8.270 nan 0.000 0.471 140 T N -3.303 111.230 114.554 -0.036 0.000 3.057 140 T HA 0.166 4.518 4.350 0.003 0.000 0.254 140 T C 1.517 176.263 174.700 0.076 0.000 1.094 140 T CA 0.665 62.798 62.100 0.054 0.000 1.088 140 T CB 0.715 69.614 68.868 0.052 0.000 0.934 140 T HN 0.356 nan 8.240 nan 0.000 0.497 141 G N 0.893 109.712 108.800 0.032 0.000 2.184 141 G HA2 -0.182 3.780 3.960 0.003 0.000 0.264 141 G HA3 -0.182 3.780 3.960 0.003 0.000 0.264 141 G C -0.240 174.670 174.900 0.016 0.000 0.975 141 G CA 0.365 45.482 45.100 0.029 0.000 0.642 141 G HN 0.823 nan 8.290 nan 0.000 0.536 142 L N 0.426 121.656 121.223 0.012 0.000 2.409 142 L HA 0.788 5.130 4.340 0.003 0.000 0.272 142 L C -0.703 176.170 176.870 0.006 0.000 0.980 142 L CA -1.499 53.346 54.840 0.008 0.000 0.826 142 L CB 1.911 43.974 42.059 0.008 0.000 1.268 142 L HN 0.167 nan 8.230 nan 0.000 0.407 143 N N 4.379 123.083 118.700 0.006 0.000 2.425 143 N HA 0.381 5.123 4.740 0.003 0.000 0.268 143 N C -0.852 174.669 175.510 0.019 0.000 0.991 143 N CA -0.345 52.709 53.050 0.007 0.000 0.931 143 N CB 1.110 39.597 38.487 0.001 0.000 1.130 143 N HN 0.720 nan 8.380 nan 0.000 0.493 144 I N 3.473 124.060 120.570 0.028 0.000 2.452 144 I HA 0.158 4.330 4.170 0.003 0.000 0.287 144 I C 0.515 176.639 176.117 0.012 0.000 1.079 144 I CA -0.204 61.116 61.300 0.034 0.000 1.387 144 I CB 0.364 38.392 38.000 0.046 0.000 1.404 144 I HN 0.649 nan 8.210 nan 0.000 0.522 145 T N 4.400 118.961 114.554 0.011 0.000 2.849 145 T HA 0.362 4.714 4.350 0.003 0.000 0.284 145 T C -1.848 172.849 174.700 -0.005 0.000 1.004 145 T CA -1.448 60.653 62.100 0.003 0.000 1.021 145 T CB 1.154 70.025 68.868 0.005 0.000 1.013 145 T HN 0.388 nan 8.240 nan 0.000 0.527 146 P HA 0.019 nan 4.420 nan 0.000 0.216 146 P C 1.796 179.089 177.300 -0.012 0.000 1.150 146 P CA 1.246 64.337 63.100 -0.014 0.000 0.837 146 P CB -0.414 31.277 31.700 -0.013 0.000 0.786 147 G N -1.145 107.652 108.800 -0.006 0.000 2.422 147 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 147 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 147 G C 1.453 176.354 174.900 0.000 0.000 1.146 147 G CA 1.317 46.416 45.100 -0.003 0.000 0.769 147 G HN 0.182 nan 8.290 nan 0.000 0.547 148 T N 1.403 115.960 114.554 0.004 0.000 2.777 148 T HA -0.012 4.340 4.350 0.003 0.000 0.266 148 T C 2.433 177.130 174.700 -0.005 0.000 1.040 148 T CA 0.777 62.885 62.100 0.012 0.000 1.141 148 T CB -0.199 68.686 68.868 0.029 0.000 0.868 148 T HN 0.151 nan 8.240 nan 0.000 0.444 149 L N 0.738 121.946 121.223 -0.025 0.000 2.079 149 L HA -0.135 4.207 4.340 0.003 0.000 0.210 149 L C 2.638 179.487 176.870 -0.036 0.000 1.081 149 L CA 1.145 55.956 54.840 -0.049 0.000 0.752 149 L CB -0.456 41.569 42.059 -0.057 0.000 0.896 149 L HN 0.151 nan 8.230 nan 0.000 0.433 150 K N 0.763 121.150 120.400 -0.022 0.000 2.097 150 K HA -0.189 4.132 4.320 0.003 0.000 0.206 150 K C 1.839 178.433 176.600 -0.010 0.000 1.049 150 K CA 1.495 57.772 56.287 -0.017 0.000 0.933 150 K CB -0.112 32.380 32.500 -0.013 0.000 0.717 150 K HN 0.342 nan 8.250 nan 0.000 0.442 151 E N -0.285 119.914 120.200 -0.002 0.000 2.204 151 E HA -0.122 4.230 4.350 0.003 0.000 0.194 151 E C 1.732 178.338 176.600 0.009 0.000 0.989 151 E CA 1.017 57.422 56.400 0.007 0.000 0.824 151 E CB -0.006 29.705 29.700 0.019 0.000 0.756 151 E HN 0.304 nan 8.360 nan 0.000 0.477 152 L N 0.393 121.615 121.223 -0.001 0.000 2.416 152 L HA 0.001 4.343 4.340 0.003 0.000 0.216 152 L C 2.579 179.439 176.870 -0.016 0.000 1.098 152 L CA 0.125 54.963 54.840 -0.003 0.000 0.840 152 L CB -0.080 41.960 42.059 -0.032 0.000 0.981 152 L HN 0.332 nan 8.230 nan 0.000 0.462 153 C N -1.600 117.685 119.300 -0.025 0.000 2.472 153 C HA 0.030 4.491 4.460 0.003 0.000 0.278 153 C C 2.035 177.016 174.990 -0.016 0.000 1.447 153 C CA -0.218 58.783 59.018 -0.028 0.000 1.773 153 C CB -0.620 27.098 27.740 -0.035 0.000 1.793 153 C HN 0.397 nan 8.230 nan 0.000 0.544 154 E N 1.363 121.558 120.200 -0.008 0.000 2.481 154 E HA 0.030 4.382 4.350 0.003 0.000 0.195 154 E C 0.394 176.996 176.600 0.003 0.000 1.047 154 E CA 0.258 56.656 56.400 -0.003 0.000 0.867 154 E CB -0.417 29.282 29.700 -0.001 0.000 0.858 154 E HN 0.737 nan 8.360 nan 0.000 0.513 155 D N 1.969 122.373 120.400 0.007 0.000 2.455 155 D HA -0.074 4.567 4.640 0.003 0.000 0.241 155 D C 1.293 177.601 176.300 0.014 0.000 1.138 155 D CA 0.160 54.169 54.000 0.016 0.000 0.877 155 D CB 1.074 41.890 40.800 0.027 0.000 1.187 155 D HN 0.031 nan 8.370 nan 0.000 0.451 156 K N 3.274 123.683 120.400 0.015 0.000 2.063 156 K HA -0.221 4.101 4.320 0.003 0.000 0.208 156 K C 1.040 177.650 176.600 0.017 0.000 1.048 156 K CA 1.545 57.840 56.287 0.013 0.000 0.928 156 K CB -0.221 32.286 32.500 0.013 0.000 0.713 156 K HN 0.384 nan 8.250 nan 0.000 0.442 157 N N 0.298 119.013 118.700 0.025 0.000 2.392 157 N HA 0.171 4.913 4.740 0.003 0.000 0.177 157 N C -0.108 175.423 175.510 0.035 0.000 1.066 157 N CA -0.084 52.986 53.050 0.032 0.000 0.895 157 N CB 0.332 38.843 38.487 0.041 0.000 0.988 157 N HN 0.084 nan 8.380 nan 0.000 0.457 158 I N 2.169 122.756 120.570 0.027 0.000 2.329 158 I HA 0.015 4.187 4.170 0.003 0.000 0.295 158 I C 0.952 177.070 176.117 0.001 0.000 1.109 158 I CA -0.201 61.108 61.300 0.014 0.000 1.297 158 I CB 0.762 38.759 38.000 -0.005 0.000 1.433 158 I HN 0.028 nan 8.210 nan 0.000 0.509 159 V N 2.941 122.862 119.914 0.012 0.000 3.604 159 V HA 0.653 4.775 4.120 0.003 0.000 0.277 159 V C 0.564 176.651 176.094 -0.012 0.000 1.399 159 V CA 0.332 62.634 62.300 0.003 0.000 1.034 159 V CB 0.217 32.053 31.823 0.022 0.000 0.824 159 V HN 0.642 nan 8.190 nan 0.000 0.439 160 A N -0.761 122.064 122.820 0.008 0.000 2.599 160 A HA 0.871 5.193 4.320 0.003 0.000 0.290 160 A C -1.308 176.291 177.584 0.025 0.000 1.101 160 A CA 0.148 52.187 52.037 0.003 0.000 0.674 160 A CB 1.919 20.990 19.000 0.117 0.000 1.277 160 A HN 0.945 nan 8.150 nan 0.000 0.419 164 A N 1.976 124.895 122.820 0.164 0.000 2.594 164 A HA 0.131 4.453 4.320 0.003 0.000 0.287 164 A C 1.483 179.086 177.584 0.032 0.000 1.227 164 A CA 0.621 52.734 52.037 0.126 0.000 0.952 164 A CB -0.008 19.156 19.000 0.273 0.000 1.161 164 A HN 0.402 nan 8.150 nan 0.000 0.524 165 S N -0.895 114.816 115.700 0.017 0.000 2.423 165 S HA 0.195 4.667 4.470 0.003 0.000 0.231 165 S C 1.694 176.281 174.600 -0.023 0.000 1.014 165 S CA 1.323 59.517 58.200 -0.011 0.000 0.965 165 S CB -0.535 62.661 63.200 -0.006 0.000 0.785 165 S HN 1.920 nan 8.310 nan 0.000 0.495 166 G N 1.523 110.311 108.800 -0.020 0.000 2.155 166 G HA2 -0.284 3.678 3.960 0.003 0.000 0.257 166 G HA3 -0.284 3.678 3.960 0.003 0.000 0.257 166 G C -0.055 174.833 174.900 -0.020 0.000 0.983 166 G CA 0.247 45.330 45.100 -0.029 0.000 0.676 166 G HN 0.714 nan 8.290 nan 0.000 0.528 167 N N 0.314 119.005 118.700 -0.014 0.000 2.589 167 N HA 0.405 5.146 4.740 0.003 0.000 0.232 167 N C 1.226 176.729 175.510 -0.012 0.000 1.015 167 N CA -0.662 52.382 53.050 -0.011 0.000 0.931 167 N CB 0.700 39.181 38.487 -0.010 0.000 1.150 167 N HN 0.072 nan 8.380 nan 0.000 0.512 168 I N 2.402 122.965 120.570 -0.012 0.000 2.493 168 I HA -0.124 4.048 4.170 0.003 0.000 0.254 168 I C 1.783 177.892 176.117 -0.014 0.000 1.160 168 I CA 1.170 62.461 61.300 -0.015 0.000 1.445 168 I CB -0.049 37.942 38.000 -0.015 0.000 1.086 168 I HN 0.449 nan 8.210 nan 0.000 0.433 169 S N -0.147 115.547 115.700 -0.011 0.000 2.368 169 S HA -0.282 4.190 4.470 0.003 0.000 0.225 169 S C 1.908 176.502 174.600 -0.011 0.000 1.030 169 S CA 1.596 59.791 58.200 -0.010 0.000 0.999 169 S CB -0.349 62.847 63.200 -0.007 0.000 0.844 169 S HN 0.619 nan 8.310 nan 0.000 0.459 170 Q N 0.605 120.399 119.800 -0.011 0.000 2.084 170 Q HA -0.121 4.221 4.340 0.003 0.000 0.202 170 Q C 1.959 177.949 176.000 -0.016 0.000 0.978 170 Q CA 1.311 57.107 55.803 -0.012 0.000 0.844 170 Q CB -0.176 28.557 28.738 -0.009 0.000 0.898 170 Q HN 0.364 nan 8.270 nan 0.000 0.426 171 I N 1.074 121.634 120.570 -0.018 0.000 2.113 171 I HA -0.323 3.849 4.170 0.003 0.000 0.242 171 I C 2.445 178.545 176.117 -0.029 0.000 1.064 171 I CA 1.726 63.011 61.300 -0.026 0.000 1.320 171 I CB -1.757 36.224 38.000 -0.031 0.000 1.028 171 I HN 0.369 nan 8.210 nan 0.000 0.406 172 A N 0.089 122.895 122.820 -0.024 0.000 1.908 172 A HA -0.250 4.071 4.320 0.003 0.000 0.218 172 A C 2.264 179.835 177.584 -0.021 0.000 1.181 172 A CA 1.673 53.696 52.037 -0.023 0.000 0.627 172 A CB -0.713 18.277 19.000 -0.017 0.000 0.818 172 A HN 0.552 nan 8.150 nan 0.000 0.445 173 Q N -0.570 119.219 119.800 -0.018 0.000 2.084 173 Q HA -0.112 4.230 4.340 0.003 0.000 0.202 173 Q C 2.028 178.015 176.000 -0.021 0.000 0.978 173 Q CA 1.563 57.356 55.803 -0.017 0.000 0.844 173 Q CB -0.347 28.383 28.738 -0.014 0.000 0.898 173 Q HN 0.754 nan 8.270 nan 0.000 0.426 174 I N 0.622 121.177 120.570 -0.025 0.000 2.163 174 I HA -0.292 3.880 4.170 0.003 0.000 0.243 174 I C 2.377 178.471 176.117 -0.037 0.000 1.085 174 I CA 1.020 62.300 61.300 -0.032 0.000 1.347 174 I CB -0.202 37.777 38.000 -0.036 0.000 1.044 174 I HN 0.079 nan 8.210 nan 0.000 0.408 175 K N 1.627 122.003 120.400 -0.040 0.000 2.057 175 K HA -0.110 4.212 4.320 0.003 0.000 0.207 175 K C 2.046 178.626 176.600 -0.033 0.000 1.049 175 K CA 1.814 58.075 56.287 -0.043 0.000 0.931 175 K CB -0.522 31.951 32.500 -0.045 0.000 0.714 175 K HN 0.274 nan 8.250 nan 0.000 0.440 176 A N 0.417 123.221 122.820 -0.026 0.000 1.933 176 A HA -0.094 4.228 4.320 0.003 0.000 0.218 176 A C 2.245 179.817 177.584 -0.020 0.000 1.175 176 A CA 1.640 53.664 52.037 -0.021 0.000 0.628 176 A CB -0.573 18.417 19.000 -0.017 0.000 0.814 176 A HN 0.318 nan 8.150 nan 0.000 0.444 177 L N -1.506 119.704 121.223 -0.022 0.000 2.127 177 L HA -0.121 4.221 4.340 0.003 0.000 0.203 177 L C 2.378 179.234 176.870 -0.023 0.000 1.080 177 L CA 1.014 55.842 54.840 -0.020 0.000 0.768 177 L CB -0.302 41.746 42.059 -0.019 0.000 0.924 177 L HN 0.480 nan 8.230 nan 0.000 0.444 178 C N -0.937 118.345 119.300 -0.030 0.000 2.611 178 C HA 0.377 4.838 4.460 0.003 0.000 0.282 178 C C 1.802 176.770 174.990 -0.036 0.000 1.321 178 C CA -0.050 58.947 59.018 -0.034 0.000 1.747 178 C CB -0.548 27.167 27.740 -0.041 0.000 2.124 178 C HN 0.739 nan 8.230 nan 0.000 0.531 179 G N 2.653 111.430 108.800 -0.038 0.000 2.614 179 G HA2 -0.383 3.579 3.960 0.003 0.000 0.303 179 G HA3 -0.383 3.579 3.960 0.003 0.000 0.303 179 G C 0.380 175.249 174.900 -0.052 0.000 1.270 179 G CA 1.112 46.188 45.100 -0.041 0.000 0.988 179 G HN 0.565 nan 8.290 nan 0.000 0.551 180 D N 0.394 120.766 120.400 -0.047 0.000 2.363 180 D HA 0.087 4.729 4.640 0.003 0.000 0.226 180 D C 1.715 177.984 176.300 -0.052 0.000 1.020 180 D CA 1.022 54.989 54.000 -0.055 0.000 0.892 180 D CB 0.086 40.858 40.800 -0.046 0.000 0.900 180 D HN 0.386 nan 8.370 nan 0.000 0.531 181 K N -0.349 120.025 120.400 -0.044 0.000 2.486 181 K HA 0.115 4.437 4.320 0.003 0.000 0.194 181 K C 0.046 176.617 176.600 -0.048 0.000 1.033 181 K CA 0.047 56.310 56.287 -0.039 0.000 1.004 181 K CB 0.421 32.903 32.500 -0.030 0.000 0.798 181 K HN 0.233 nan 8.250 nan 0.000 0.495 182 L N 1.937 123.121 121.223 -0.065 0.000 2.573 182 L HA 0.212 4.554 4.340 0.003 0.000 0.260 182 L C -1.449 175.350 176.870 -0.120 0.000 0.997 182 L CA -0.452 54.341 54.840 -0.078 0.000 0.890 182 L CB 1.273 43.291 42.059 -0.069 0.000 1.179 182 L HN -0.129 nan 8.230 nan 0.000 0.439 183 D N 4.394 124.698 120.400 -0.161 0.000 2.443 183 D HA 0.263 4.905 4.640 0.003 0.000 0.239 183 D C 0.014 176.111 176.300 -0.339 0.000 1.136 183 D CA 0.740 54.567 54.000 -0.288 0.000 0.879 183 D CB 1.364 41.926 40.800 -0.397 0.000 1.195 183 D HN 0.360 nan 8.370 nan 0.000 0.443 184 I N 2.251 122.590 120.570 -0.386 0.000 2.362 184 I HA 0.173 4.345 4.170 0.003 0.000 0.289 184 I C -0.683 175.166 176.117 -0.446 0.000 0.994 184 I CA -0.829 60.287 61.300 -0.306 0.000 1.158 184 I CB 0.747 38.648 38.000 -0.164 0.000 1.315 184 I HN 0.135 nan 8.210 nan 0.000 0.451 185 Y N 3.859 124.109 120.300 -0.083 0.000 2.341 185 Y HA 0.288 4.840 4.550 0.003 0.000 0.337 185 Y C 0.844 176.720 175.900 -0.040 0.000 1.014 185 Y CA -0.531 57.524 58.100 -0.075 0.000 1.111 185 Y CB 1.724 40.146 38.460 -0.064 0.000 1.194 185 Y HN 0.483 nan 8.280 nan 0.000 0.462 186 S N 1.417 117.180 115.700 0.106 0.000 2.549 186 S HA 0.222 4.694 4.470 0.003 0.000 0.286 186 S C 1.103 175.751 174.600 0.080 0.000 1.314 186 S CA 0.177 58.416 58.200 0.065 0.000 1.062 186 S CB 0.183 63.402 63.200 0.032 0.000 0.865 186 S HN 1.002 nan 8.310 nan 0.000 0.498 187 G N 3.524 112.366 108.800 0.070 0.000 3.393 187 G HA2 0.235 4.197 3.960 0.003 0.000 0.255 187 G HA3 0.235 4.197 3.960 0.003 0.000 0.255 187 G C -0.282 174.648 174.900 0.050 0.000 1.097 187 G CA -0.482 44.655 45.100 0.062 0.000 0.780 187 G HN 0.697 nan 8.290 nan 0.000 0.540 188 N N 0.163 118.881 118.700 0.029 0.000 2.410 188 N HA 0.226 4.968 4.740 0.003 0.000 0.287 188 N C -0.263 175.266 175.510 0.032 0.000 1.044 188 N CA -0.675 52.378 53.050 0.005 0.000 0.881 188 N CB 2.317 40.780 38.487 -0.040 0.000 1.405 188 N HN -0.196 nan 8.380 nan 0.000 0.490 189 D N 0.605 121.042 120.400 0.063 0.000 2.219 189 D HA -0.147 4.495 4.640 0.003 0.000 0.205 189 D C 0.927 177.272 176.300 0.073 0.000 0.970 189 D CA 1.210 55.252 54.000 0.070 0.000 0.851 189 D CB 0.100 40.949 40.800 0.082 0.000 0.943 189 D HN 0.675 nan 8.370 nan 0.000 0.488 190 D N 0.139 120.604 120.400 0.109 0.000 2.349 190 D HA -0.105 4.537 4.640 0.003 0.000 0.224 190 D C 0.886 177.216 176.300 0.051 0.000 1.029 190 D CA 0.335 54.395 54.000 0.101 0.000 0.879 190 D CB -0.201 40.709 40.800 0.183 0.000 0.906 190 D HN 0.237 nan 8.370 nan 0.000 0.528 191 Q N -0.331 119.484 119.800 0.025 0.000 2.112 191 Q HA 0.318 4.660 4.340 0.003 0.000 0.222 191 Q C 1.664 177.647 176.000 -0.028 0.000 0.798 191 Q CA -0.260 55.541 55.803 -0.004 0.000 1.060 191 Q CB 0.866 29.599 28.738 -0.008 0.000 1.184 191 Q HN 0.213 nan 8.270 nan 0.000 0.475 192 I N 0.637 121.193 120.570 -0.023 0.000 2.113 192 I HA -0.294 3.878 4.170 0.003 0.000 0.238 192 I C 1.964 178.002 176.117 -0.132 0.000 1.070 192 I CA 1.186 62.456 61.300 -0.049 0.000 1.332 192 I CB -0.153 37.835 38.000 -0.019 0.000 1.044 192 I HN 0.282 nan 8.210 nan 0.000 0.402 193 I N 1.194 121.684 120.570 -0.134 0.000 2.127 193 I HA -0.187 3.985 4.170 0.003 0.000 0.241 193 I C -0.092 175.847 176.117 -0.296 0.000 1.075 193 I CA 2.090 63.240 61.300 -0.249 0.000 1.334 193 I CB -2.837 35.100 38.000 -0.105 0.000 1.040 193 I HN 0.200 nan 8.210 nan 0.000 0.405 194 P HA -0.110 nan 4.420 nan 0.000 0.218 194 P C 2.141 179.357 177.300 -0.140 0.000 1.149 194 P CA 1.499 64.525 63.100 -0.122 0.000 0.817 194 P CB 0.032 31.696 31.700 -0.059 0.000 0.785 195 I N -0.621 119.867 120.570 -0.136 0.000 2.286 195 I HA -0.179 3.992 4.170 0.003 0.000 0.245 195 I C 2.605 178.622 176.117 -0.167 0.000 1.104 195 I CA 1.038 62.266 61.300 -0.119 0.000 1.397 195 I CB -0.622 37.331 38.000 -0.079 0.000 1.072 195 I HN -0.169 nan 8.210 nan 0.000 0.417 196 L N 0.660 121.726 121.223 -0.262 0.000 2.079 196 L HA -0.206 4.136 4.340 0.003 0.000 0.210 196 L C 2.830 179.514 176.870 -0.311 0.000 1.081 196 L CA 1.282 55.930 54.840 -0.321 0.000 0.752 196 L CB -0.773 40.980 42.059 -0.511 0.000 0.896 196 L HN 0.250 nan 8.230 nan 0.000 0.433 197 A N -0.093 122.484 122.820 -0.406 0.000 1.972 197 A HA -0.112 4.209 4.320 0.003 0.000 0.219 197 A C 2.084 179.660 177.584 -0.013 0.000 1.169 197 A CA 1.182 53.152 52.037 -0.110 0.000 0.635 197 A CB -0.521 18.439 19.000 -0.067 0.000 0.810 197 A HN 0.409 nan 8.150 nan 0.000 0.446 198 L N -1.154 120.034 121.223 -0.058 0.000 2.627 198 L HA 0.204 4.546 4.340 0.003 0.000 0.233 198 L C 1.497 178.343 176.870 -0.040 0.000 1.144 198 L CA 0.538 55.356 54.840 -0.038 0.000 0.892 198 L CB -0.056 41.975 42.059 -0.046 0.000 1.039 198 L HN 0.589 nan 8.230 nan 0.000 0.442 199 G N -0.586 108.191 108.800 -0.039 0.000 2.144 199 G HA2 -0.200 3.762 3.960 0.003 0.000 0.218 199 G HA3 -0.200 3.762 3.960 0.003 0.000 0.218 199 G C 0.563 175.410 174.900 -0.088 0.000 0.988 199 G CA -0.308 44.766 45.100 -0.043 0.000 0.659 199 G HN 0.491 nan 8.290 nan 0.000 0.522 200 G N -0.117 108.616 108.800 -0.112 0.000 2.664 200 G HA2 0.548 4.509 3.960 0.003 0.000 0.242 200 G HA3 0.548 4.509 3.960 0.003 0.000 0.242 200 G C 1.147 175.949 174.900 -0.162 0.000 1.225 200 G CA 0.052 45.055 45.100 -0.162 0.000 0.849 200 G HN 1.311 nan 8.290 nan 0.000 0.581 201 I N -1.693 118.726 120.570 -0.251 0.000 4.154 201 I HA 0.604 4.775 4.170 0.003 0.000 0.334 201 I C 0.703 176.746 176.117 -0.124 0.000 1.371 201 I CA 0.101 61.273 61.300 -0.214 0.000 1.110 201 I CB 0.352 38.177 38.000 -0.291 0.000 1.085 201 I HN 0.785 nan 8.210 nan 0.000 0.398 202 G N 0.569 109.340 108.800 -0.048 0.000 2.336 202 G HA2 0.408 4.370 3.960 0.003 0.000 0.286 202 G HA3 0.408 4.370 3.960 0.003 0.000 0.286 202 G C -1.935 173.102 174.900 0.229 0.000 1.269 202 G CA 0.085 45.275 45.100 0.150 0.000 0.873 202 G HN 0.129 nan 8.290 nan 0.000 0.494 203 V N -0.133 119.951 119.914 0.284 0.000 2.971 203 V HA 0.747 4.868 4.120 0.003 0.000 0.309 203 V C -1.157 175.045 176.094 0.180 0.000 1.130 203 V CA -0.940 61.477 62.300 0.195 0.000 0.964 203 V CB 1.813 33.699 31.823 0.106 0.000 1.029 203 V HN 0.740 nan 8.190 nan 0.000 0.427 204 I N 5.204 125.820 120.570 0.076 0.000 2.330 204 I HA 0.455 4.626 4.170 0.003 0.000 0.286 204 I C 0.037 176.131 176.117 -0.039 0.000 1.025 204 I CA 0.039 61.319 61.300 -0.033 0.000 1.197 204 I CB 1.583 39.504 38.000 -0.131 0.000 1.358 204 I HN 0.602 nan 8.210 nan 0.000 0.467 205 S N 4.435 120.114 115.700 -0.036 0.000 2.482 205 S HA 0.432 4.904 4.470 0.003 0.000 0.303 205 S C 0.783 175.378 174.600 -0.008 0.000 1.091 205 S CA -0.663 57.534 58.200 -0.005 0.000 1.057 205 S CB 1.813 65.022 63.200 0.015 0.000 1.031 205 S HN 0.358 nan 8.310 nan 0.000 0.485 206 V N 5.386 125.313 119.914 0.021 0.000 2.346 206 V HA -0.031 4.091 4.120 0.003 0.000 0.244 206 V C 2.312 178.436 176.094 0.050 0.000 1.037 206 V CA 1.367 63.689 62.300 0.038 0.000 1.029 206 V CB -0.721 31.140 31.823 0.063 0.000 0.663 206 V HN 0.833 nan 8.190 nan 0.000 0.454 207 L N 1.370 122.622 121.223 0.048 0.000 2.129 207 L HA -0.133 4.209 4.340 0.003 0.000 0.212 207 L C 2.358 179.262 176.870 0.056 0.000 1.087 207 L CA 2.280 57.142 54.840 0.037 0.000 0.757 207 L CB -0.809 41.260 42.059 0.017 0.000 0.896 207 L HN 0.246 nan 8.230 nan 0.000 0.434 208 A N -0.868 121.987 122.820 0.059 0.000 2.125 208 A HA -0.186 4.135 4.320 0.003 0.000 0.219 208 A C 2.020 179.716 177.584 0.188 0.000 1.156 208 A CA 1.494 53.581 52.037 0.084 0.000 0.671 208 A CB -0.816 18.209 19.000 0.041 0.000 0.794 208 A HN 0.655 nan 8.150 nan 0.000 0.459 209 N N -0.050 118.762 118.700 0.187 0.000 2.289 209 N HA -0.128 4.613 4.740 0.003 0.000 0.184 209 N C 1.625 177.354 175.510 0.365 0.000 1.016 209 N CA 1.961 55.192 53.050 0.302 0.000 0.872 209 N CB 0.080 38.675 38.487 0.181 0.000 0.973 209 N HN 0.605 nan 8.380 nan 0.000 0.433 210 V N -1.315 118.750 119.914 0.252 0.000 3.307 210 V HA 0.266 4.388 4.120 0.003 0.000 0.244 210 V C 1.095 177.354 176.094 0.274 0.000 1.196 210 V CA 0.165 62.626 62.300 0.268 0.000 1.132 210 V CB -0.091 31.812 31.823 0.133 0.000 0.875 210 V HN 0.167 nan 8.190 nan 0.000 0.468 211 I N -2.150 118.515 120.570 0.158 0.000 2.956 211 I HA 0.531 4.703 4.170 0.003 0.000 0.311 211 I C -1.705 174.436 176.117 0.040 0.000 1.436 211 I CA -1.880 59.495 61.300 0.125 0.000 0.872 211 I CB 1.383 39.469 38.000 0.143 0.000 2.099 211 I HN -0.069 nan 8.210 nan 0.000 0.624 212 P HA -0.211 nan 4.420 nan 0.000 0.215 212 P C 1.311 178.582 177.300 -0.049 0.000 1.153 212 P CA 1.506 64.537 63.100 -0.115 0.000 0.853 212 P CB 0.463 31.922 31.700 -0.401 0.000 0.788 213 E N -0.261 119.894 120.200 -0.075 0.000 2.072 213 E HA -0.177 4.175 4.350 0.003 0.000 0.191 213 E C 1.607 178.266 176.600 0.098 0.000 0.985 213 E CA 1.049 57.456 56.400 0.011 0.000 0.801 213 E CB -0.223 29.470 29.700 -0.013 0.000 0.750 213 E HN 0.084 nan 8.360 nan 0.000 0.452 214 D N -0.165 120.291 120.400 0.094 0.000 2.144 214 D HA -0.135 4.507 4.640 0.003 0.000 0.199 214 D C 2.014 178.370 176.300 0.094 0.000 0.984 214 D CA 0.905 54.974 54.000 0.115 0.000 0.834 214 D CB -0.095 40.807 40.800 0.171 0.000 0.955 214 D HN 0.113 nan 8.370 nan 0.000 0.465 215 V N 0.570 120.536 119.914 0.086 0.000 2.358 215 V HA -0.237 3.885 4.120 0.003 0.000 0.246 215 V C 2.327 178.470 176.094 0.083 0.000 1.047 215 V CA 1.735 64.080 62.300 0.074 0.000 1.035 215 V CB -0.672 31.190 31.823 0.065 0.000 0.658 215 V HN 0.243 nan 8.190 nan 0.000 0.452 216 H N 1.302 120.390 119.070 0.029 0.000 2.319 216 H HA -0.161 4.398 4.556 0.004 0.000 0.299 216 H C 2.204 177.560 175.328 0.046 0.000 1.092 216 H CA 2.314 58.383 56.048 0.036 0.000 1.302 216 H CB -0.162 29.606 29.762 0.009 0.000 1.373 216 H HN 0.343 nan 8.280 nan 0.000 0.497 217 N N 0.138 118.798 118.700 -0.068 0.000 2.120 217 N HA -0.164 4.578 4.740 0.003 0.000 0.188 217 N C 2.148 177.616 175.510 -0.070 0.000 1.024 217 N CA 1.324 54.317 53.050 -0.094 0.000 0.852 217 N CB -0.460 38.052 38.487 0.043 0.000 1.003 217 N HN 0.482 nan 8.380 nan 0.000 0.424 218 M N 0.186 119.781 119.600 -0.009 0.000 2.082 218 M HA -0.209 4.272 4.480 0.003 0.000 0.258 218 M C 1.758 178.071 176.300 0.023 0.000 1.069 218 M CA 1.590 56.905 55.300 0.025 0.000 1.102 218 M CB -0.155 32.470 32.600 0.042 0.000 1.336 218 M HN 0.195 nan 8.290 nan 0.000 0.404 219 C N 0.066 119.353 119.300 -0.021 0.000 2.453 219 C HA -0.123 4.339 4.460 0.003 0.000 0.277 219 C C 2.546 177.524 174.990 -0.021 0.000 1.262 219 C CA 1.261 60.279 59.018 -0.000 0.000 1.718 219 C CB -1.115 26.627 27.740 0.003 0.000 2.031 219 C HN 0.647 nan 8.230 nan 0.000 0.480 220 E N 0.674 120.778 120.200 -0.159 0.000 2.058 220 E HA -0.204 4.148 4.350 0.003 0.000 0.194 220 E C 2.030 178.599 176.600 -0.052 0.000 0.997 220 E CA 1.178 57.490 56.400 -0.145 0.000 0.801 220 E CB -0.162 29.356 29.700 -0.302 0.000 0.746 220 E HN 0.591 nan 8.360 nan 0.000 0.450 221 L N -0.229 120.972 121.223 -0.037 0.000 1.994 221 L HA -0.209 4.133 4.340 0.003 0.000 0.208 221 L C 2.537 179.403 176.870 -0.006 0.000 1.071 221 L CA 1.623 56.455 54.840 -0.014 0.000 0.745 221 L CB -0.616 41.447 42.059 0.005 0.000 0.892 221 L HN 0.273 nan 8.230 nan 0.000 0.431 222 Y N 0.460 120.739 120.300 -0.035 0.000 2.145 222 Y HA -0.251 4.301 4.550 0.003 0.000 0.286 222 Y C 2.378 178.261 175.900 -0.027 0.000 1.145 222 Y CA 1.581 59.666 58.100 -0.025 0.000 1.148 222 Y CB -0.102 38.345 38.460 -0.021 0.000 0.981 222 Y HN 0.010 nan 8.280 nan 0.000 0.507 223 L N 0.176 121.475 121.223 0.127 0.000 2.275 223 L HA -0.209 4.133 4.340 0.003 0.000 0.215 223 L C 1.242 178.103 176.870 -0.015 0.000 1.119 223 L CA 0.944 55.829 54.840 0.076 0.000 0.790 223 L CB -0.412 41.687 42.059 0.066 0.000 0.919 223 L HN 0.304 nan 8.230 nan 0.000 0.443 224 N N -0.074 118.599 118.700 -0.045 0.000 2.268 224 N HA 0.069 4.810 4.740 0.003 0.000 0.204 224 N C 1.321 176.775 175.510 -0.095 0.000 1.124 224 N CA 0.899 53.916 53.050 -0.055 0.000 0.838 224 N CB 1.104 39.571 38.487 -0.034 0.000 0.994 224 N HN 0.391 nan 8.380 nan 0.000 0.489 225 G N 1.320 110.017 108.800 -0.170 0.000 2.176 225 G HA2 -0.287 3.675 3.960 0.003 0.000 0.253 225 G HA3 -0.287 3.675 3.960 0.003 0.000 0.253 225 G C 0.290 175.066 174.900 -0.206 0.000 0.979 225 G CA -0.149 44.823 45.100 -0.214 0.000 0.641 225 G HN 0.312 nan 8.290 nan 0.000 0.530 226 K N 1.531 121.835 120.400 -0.161 0.000 2.751 226 K HA 0.373 4.695 4.320 0.003 0.000 0.252 226 K C 2.008 178.539 176.600 -0.116 0.000 1.277 226 K CA 0.267 56.489 56.287 -0.109 0.000 1.226 226 K CB 0.539 33.005 32.500 -0.057 0.000 1.658 226 K HN 0.542 nan 8.250 nan 0.000 0.303 227 V N -1.651 118.145 119.914 -0.196 0.000 2.453 227 V HA -0.232 3.890 4.120 0.003 0.000 0.247 227 V C 1.520 177.620 176.094 0.009 0.000 1.048 227 V CA 1.237 63.416 62.300 -0.202 0.000 1.049 227 V CB -0.279 31.320 31.823 -0.374 0.000 0.672 227 V HN 0.450 nan 8.190 nan 0.000 0.457 228 N N 1.038 119.733 118.700 -0.009 0.000 2.142 228 N HA -0.128 4.614 4.740 0.003 0.000 0.186 228 N C 1.882 177.411 175.510 0.031 0.000 1.023 228 N CA 1.921 54.984 53.050 0.021 0.000 0.852 228 N CB -0.286 38.205 38.487 0.007 0.000 0.998 228 N HN 0.687 nan 8.380 nan 0.000 0.424 229 E N 1.047 121.258 120.200 0.018 0.000 2.150 229 E HA -0.052 4.300 4.350 0.003 0.000 0.193 229 E C 1.959 178.587 176.600 0.047 0.000 0.985 229 E CA 0.841 57.256 56.400 0.026 0.000 0.814 229 E CB -0.043 29.665 29.700 0.012 0.000 0.752 229 E HN 0.329 nan 8.360 nan 0.000 0.466 230 A N 1.536 124.395 122.820 0.066 0.000 1.877 230 A HA -0.174 4.148 4.320 0.003 0.000 0.216 230 A C 2.199 179.847 177.584 0.106 0.000 1.186 230 A CA 1.083 53.184 52.037 0.106 0.000 0.620 230 A CB -0.586 18.535 19.000 0.201 0.000 0.822 230 A HN 0.236 nan 8.150 nan 0.000 0.443 231 L N 0.139 121.431 121.223 0.115 0.000 2.079 231 L HA -0.163 4.179 4.340 0.003 0.000 0.210 231 L C 2.271 179.183 176.870 0.070 0.000 1.081 231 L CA 2.683 57.578 54.840 0.092 0.000 0.752 231 L CB -0.574 41.540 42.059 0.091 0.000 0.896 231 L HN 0.491 nan 8.230 nan 0.000 0.433 232 K N -0.309 120.129 120.400 0.063 0.000 2.063 232 K HA -0.193 4.128 4.320 0.003 0.000 0.208 232 K C 2.058 178.702 176.600 0.073 0.000 1.048 232 K CA 2.107 58.429 56.287 0.058 0.000 0.928 232 K CB -0.266 32.262 32.500 0.046 0.000 0.713 232 K HN 0.473 nan 8.250 nan 0.000 0.442 233 I N 0.757 121.374 120.570 0.079 0.000 2.226 233 I HA -0.273 3.898 4.170 0.003 0.000 0.245 233 I C 2.704 178.879 176.117 0.097 0.000 1.100 233 I CA 1.211 62.572 61.300 0.102 0.000 1.374 233 I CB -0.374 37.683 38.000 0.095 0.000 1.057 233 I HN 0.319 nan 8.210 nan 0.000 0.413 234 Q N 1.546 121.389 119.800 0.072 0.000 2.045 234 Q HA -0.205 4.137 4.340 0.003 0.000 0.206 234 Q C 2.153 178.187 176.000 0.056 0.000 0.991 234 Q CA 2.012 57.848 55.803 0.054 0.000 0.851 234 Q CB -0.318 28.445 28.738 0.042 0.000 0.911 234 Q HN 0.491 nan 8.270 nan 0.000 0.418 235 L N 0.083 121.343 121.223 0.061 0.000 2.109 235 L HA -0.135 4.207 4.340 0.003 0.000 0.207 235 L C 1.859 178.773 176.870 0.074 0.000 1.086 235 L CA 1.019 55.893 54.840 0.057 0.000 0.760 235 L CB -0.453 41.637 42.059 0.051 0.000 0.910 235 L HN 0.245 nan 8.230 nan 0.000 0.437 236 D N -0.264 120.199 120.400 0.106 0.000 2.178 236 D HA -0.130 4.512 4.640 0.003 0.000 0.202 236 D C 2.234 178.679 176.300 0.241 0.000 0.974 236 D CA 1.618 55.715 54.000 0.162 0.000 0.841 236 D CB 0.023 40.927 40.800 0.175 0.000 0.953 236 D HN 0.325 nan 8.370 nan 0.000 0.478 237 S N -0.476 115.319 115.700 0.157 0.000 2.575 237 S HA 0.059 4.531 4.470 0.003 0.000 0.215 237 S C 1.724 176.275 174.600 -0.081 0.000 0.966 237 S CA -0.309 57.853 58.200 -0.063 0.000 0.911 237 S CB 0.041 63.142 63.200 -0.164 0.000 0.780 237 S HN 0.056 nan 8.310 nan 0.000 0.514 238 L N 2.072 123.291 121.223 -0.006 0.000 2.046 238 L HA 0.150 4.492 4.340 0.003 0.000 0.208 238 L C 2.661 179.503 176.870 -0.048 0.000 1.077 238 L CA 1.856 56.688 54.840 -0.013 0.000 0.747 238 L CB -1.007 41.063 42.059 0.017 0.000 0.896 238 L HN 0.394 nan 8.230 nan 0.000 0.432 239 A N -0.955 121.842 122.820 -0.037 0.000 1.930 239 A HA -0.180 4.142 4.320 0.003 0.000 0.217 239 A C 2.196 179.717 177.584 -0.104 0.000 1.175 239 A CA 1.746 53.748 52.037 -0.058 0.000 0.627 239 A CB -0.913 18.076 19.000 -0.019 0.000 0.815 239 A HN 0.454 nan 8.150 nan 0.000 0.443 240 L N -0.167 120.985 121.223 -0.117 0.000 2.046 240 L HA -0.102 4.240 4.340 0.003 0.000 0.208 240 L C 2.394 179.160 176.870 -0.173 0.000 1.077 240 L CA 2.827 57.573 54.840 -0.158 0.000 0.747 240 L CB -1.173 40.729 42.059 -0.262 0.000 0.896 240 L HN 0.354 nan 8.230 nan 0.000 0.432 241 T N 0.342 114.800 114.554 -0.160 0.000 2.684 241 T HA -0.172 4.180 4.350 0.003 0.000 0.267 241 T C 1.716 176.248 174.700 -0.279 0.000 1.036 241 T CA 1.760 63.792 62.100 -0.113 0.000 1.148 241 T CB -0.400 68.454 68.868 -0.023 0.000 0.863 241 T HN 0.385 nan 8.240 nan 0.000 0.436 242 N N 1.427 119.891 118.700 -0.394 0.000 2.166 242 N HA 0.015 4.757 4.740 0.003 0.000 0.186 242 N C 2.078 177.112 175.510 -0.793 0.000 1.019 242 N CA 1.205 53.739 53.050 -0.860 0.000 0.856 242 N CB -0.628 37.597 38.487 -0.435 0.000 0.993 242 N HN 0.439 nan 8.380 nan 0.000 0.426 243 A N 1.031 123.618 122.820 -0.390 0.000 1.972 243 A HA -0.048 4.274 4.320 0.003 0.000 0.219 243 A C 2.137 179.597 177.584 -0.207 0.000 1.169 243 A CA 0.850 52.740 52.037 -0.244 0.000 0.635 243 A CB -0.672 18.244 19.000 -0.140 0.000 0.810 243 A HN 0.255 nan 8.150 nan 0.000 0.446 244 L N -1.007 120.094 121.223 -0.203 0.000 2.622 244 L HA -0.024 4.318 4.340 0.003 0.000 0.233 244 L C 1.133 178.026 176.870 0.038 0.000 1.156 244 L CA 0.530 55.332 54.840 -0.064 0.000 0.866 244 L CB -0.335 41.720 42.059 -0.007 0.000 0.980 244 L HN 0.729 nan 8.230 nan 0.000 0.448 245 F N -4.352 115.598 119.950 0.001 0.000 2.791 245 F HA 0.330 4.859 4.527 0.003 0.000 0.316 245 F C 1.303 177.106 175.800 0.004 0.000 1.134 245 F CA -0.490 57.513 58.000 0.005 0.000 1.222 245 F CB -0.643 38.362 39.000 0.009 0.000 1.034 245 F HN -0.194 nan 8.300 nan 0.000 0.516 246 I N 0.773 121.327 120.570 -0.027 0.000 2.493 246 I HA -0.028 4.144 4.170 0.003 0.000 0.254 246 I C 0.499 176.644 176.117 0.048 0.000 1.160 246 I CA 1.314 62.610 61.300 -0.007 0.000 1.445 246 I CB 0.156 38.121 38.000 -0.058 0.000 1.086 246 I HN 0.266 nan 8.210 nan 0.000 0.433 247 E N -0.355 119.879 120.200 0.058 0.000 2.359 247 E HA 0.256 4.608 4.350 0.003 0.000 0.266 247 E C -0.518 176.130 176.600 0.079 0.000 0.920 247 E CA -0.812 55.623 56.400 0.057 0.000 0.788 247 E CB 1.414 31.134 29.700 0.034 0.000 1.279 247 E HN -0.072 nan 8.360 nan 0.000 0.438 248 T N 2.081 116.671 114.554 0.060 0.000 2.750 248 T HA -0.080 4.272 4.350 0.003 0.000 0.277 248 T C 0.232 174.968 174.700 0.060 0.000 0.996 248 T CA 0.341 62.474 62.100 0.056 0.000 1.195 248 T CB -0.389 68.497 68.868 0.030 0.000 0.963 248 T HN 0.382 nan 8.240 nan 0.000 0.516 249 N N 4.658 123.404 118.700 0.076 0.000 2.458 249 N HA 0.073 4.815 4.740 0.003 0.000 0.258 249 N C -1.426 174.114 175.510 0.051 0.000 1.219 249 N CA -1.622 51.471 53.050 0.072 0.000 0.902 249 N CB 0.673 39.212 38.487 0.086 0.000 1.076 249 N HN 0.263 nan 8.380 nan 0.000 0.455 250 P HA 0.153 nan 4.420 nan 0.000 0.259 250 P C 0.846 178.169 177.300 0.038 0.000 1.530 250 P CA 0.069 63.194 63.100 0.042 0.000 1.022 250 P CB 0.051 31.769 31.700 0.030 0.000 1.514 251 I N 1.286 121.880 120.570 0.040 0.000 2.118 251 I HA -0.183 3.988 4.170 0.003 0.000 0.241 251 I C -0.561 175.572 176.117 0.026 0.000 1.070 251 I CA 1.921 63.240 61.300 0.033 0.000 1.327 251 I CB -1.939 36.080 38.000 0.030 0.000 1.034 251 I HN 0.070 nan 8.210 nan 0.000 0.405 252 P HA -0.113 nan 4.420 nan 0.000 0.216 252 P C 1.998 179.307 177.300 0.016 0.000 1.153 252 P CA 0.996 64.106 63.100 0.017 0.000 0.844 252 P CB 0.071 31.779 31.700 0.013 0.000 0.787 253 V N 0.256 120.186 119.914 0.026 0.000 2.358 253 V HA -0.230 3.892 4.120 0.003 0.000 0.246 253 V C 2.391 178.495 176.094 0.017 0.000 1.047 253 V CA 1.972 64.288 62.300 0.026 0.000 1.035 253 V CB -0.775 31.072 31.823 0.039 0.000 0.658 253 V HN 0.012 nan 8.190 nan 0.000 0.452 254 K N -0.838 119.568 120.400 0.011 0.000 2.057 254 K HA -0.161 4.161 4.320 0.003 0.000 0.206 254 K C 2.058 178.657 176.600 -0.002 0.000 1.050 254 K CA 2.002 58.288 56.287 -0.002 0.000 0.935 254 K CB -0.333 32.165 32.500 -0.003 0.000 0.715 254 K HN 0.564 nan 8.250 nan 0.000 0.439 255 T N 0.781 115.337 114.554 0.004 0.000 2.684 255 T HA -0.180 4.172 4.350 0.003 0.000 0.267 255 T C 1.862 176.560 174.700 -0.003 0.000 1.036 255 T CA 1.446 63.547 62.100 0.000 0.000 1.148 255 T CB -0.373 68.497 68.868 0.003 0.000 0.863 255 T HN 0.418 nan 8.240 nan 0.000 0.436 256 A N 1.362 124.182 122.820 -0.000 0.000 1.877 256 A HA -0.068 4.254 4.320 0.003 0.000 0.216 256 A C 2.362 179.944 177.584 -0.004 0.000 1.186 256 A CA 1.660 53.698 52.037 0.001 0.000 0.620 256 A CB -0.721 18.283 19.000 0.007 0.000 0.822 256 A HN 0.471 nan 8.150 nan 0.000 0.443 257 M N -0.377 119.219 119.600 -0.007 0.000 2.159 257 M HA -0.156 4.326 4.480 0.003 0.000 0.263 257 M C 1.770 178.043 176.300 -0.046 0.000 1.063 257 M CA 1.324 56.607 55.300 -0.028 0.000 1.110 257 M CB -0.504 32.080 32.600 -0.027 0.000 1.374 257 M HN 0.384 nan 8.290 nan 0.000 0.411 258 N N 0.647 119.327 118.700 -0.034 0.000 2.188 258 N HA -0.056 4.686 4.740 0.003 0.000 0.184 258 N C 1.709 177.201 175.510 -0.030 0.000 1.018 258 N CA 1.194 54.223 53.050 -0.034 0.000 0.858 258 N CB -0.399 38.073 38.487 -0.024 0.000 0.989 258 N HN 0.350 nan 8.380 nan 0.000 0.426 259 L N 0.276 121.487 121.223 -0.020 0.000 2.191 259 L HA -0.020 4.322 4.340 0.003 0.000 0.212 259 L C 1.720 178.578 176.870 -0.020 0.000 1.103 259 L CA 0.834 55.665 54.840 -0.016 0.000 0.769 259 L CB -0.274 41.781 42.059 -0.007 0.000 0.908 259 L HN 0.113 nan 8.230 nan 0.000 0.438 260 M N -0.234 119.350 119.600 -0.027 0.000 2.633 260 M HA 0.058 4.540 4.480 0.003 0.000 0.226 260 M C 0.038 176.298 176.300 -0.066 0.000 1.137 260 M CA 0.131 55.408 55.300 -0.038 0.000 1.020 260 M CB 0.021 32.598 32.600 -0.039 0.000 1.675 260 M HN 0.198 nan 8.290 nan 0.000 0.500 261 N N -0.135 118.529 118.700 -0.060 0.000 2.747 261 N HA -0.195 4.547 4.740 0.003 0.000 0.249 261 N C 0.214 175.665 175.510 -0.098 0.000 1.107 261 N CA 1.056 54.065 53.050 -0.068 0.000 0.707 261 N CB -1.453 37.000 38.487 -0.058 0.000 1.054 261 N HN 0.517 nan 8.380 nan 0.000 0.555 262 M N -0.089 119.443 119.600 -0.114 0.000 2.541 262 M HA 0.071 4.553 4.480 0.003 0.000 0.252 262 M C 0.320 176.553 176.300 -0.112 0.000 1.125 262 M CA 0.403 55.613 55.300 -0.151 0.000 1.091 262 M CB 0.048 32.531 32.600 -0.195 0.000 1.420 262 M HN -0.004 nan 8.290 nan 0.000 0.486 263 K N 0.958 121.310 120.400 -0.080 0.000 3.653 263 K HA -0.124 4.198 4.320 0.003 0.000 0.275 263 K C 0.357 176.918 176.600 -0.065 0.000 0.962 263 K CA 0.377 56.627 56.287 -0.062 0.000 0.773 263 K CB -1.877 30.589 32.500 -0.056 0.000 1.463 263 K HN 0.444 nan 8.250 nan 0.000 0.450 264 V N -2.218 117.656 119.914 -0.066 0.000 3.542 264 V HA 0.393 4.515 4.120 0.003 0.000 0.296 264 V C 0.941 176.996 176.094 -0.066 0.000 1.364 264 V CA 0.691 62.944 62.300 -0.079 0.000 1.118 264 V CB 0.061 31.831 31.823 -0.087 0.000 0.972 264 V HN 0.904 nan 8.190 nan 0.000 0.430 265 G N 0.801 109.583 108.800 -0.031 0.000 2.681 265 G HA2 -0.158 3.804 3.960 0.003 0.000 0.220 265 G HA3 -0.158 3.804 3.960 0.003 0.000 0.220 265 G C -0.937 173.980 174.900 0.030 0.000 1.353 265 G CA 0.038 45.142 45.100 0.006 0.000 0.872 265 G HN 0.526 nan 8.290 nan 0.000 0.557 266 D N -0.361 120.083 120.400 0.072 0.000 2.268 266 D HA 0.612 5.254 4.640 0.003 0.000 0.249 266 D C 0.887 177.277 176.300 0.151 0.000 1.008 266 D CA -0.417 53.630 54.000 0.077 0.000 0.939 266 D CB 1.292 42.123 40.800 0.051 0.000 1.170 266 D HN 0.500 nan 8.370 nan 0.000 0.468 267 L N 0.946 122.236 121.223 0.111 0.000 2.452 267 L HA 0.253 4.595 4.340 0.003 0.000 0.267 267 L C 1.077 178.001 176.870 0.091 0.000 1.188 267 L CA -0.038 54.884 54.840 0.136 0.000 0.821 267 L CB 0.424 42.529 42.059 0.076 0.000 1.102 267 L HN 0.037 nan 8.230 nan 0.000 0.470 268 R N 2.034 122.578 120.500 0.073 0.000 2.368 268 R HA 0.459 4.801 4.340 0.003 0.000 0.302 268 R C -0.795 175.489 176.300 -0.027 0.000 1.002 268 R CA -0.881 55.186 56.100 -0.055 0.000 0.929 268 R CB 0.970 31.148 30.300 -0.204 0.000 1.073 268 R HN 0.462 nan 8.270 nan 0.000 0.464 269 L N 4.778 125.976 121.223 -0.041 0.000 2.525 269 L HA 0.037 4.379 4.340 0.003 0.000 0.278 269 L C -1.038 175.813 176.870 -0.032 0.000 1.218 269 L CA -0.753 54.069 54.840 -0.030 0.000 0.878 269 L CB 0.493 42.531 42.059 -0.035 0.000 1.127 269 L HN 0.509 nan 8.230 nan 0.000 0.492 270 P HA 0.122 nan 4.420 nan 0.000 0.261 270 P C 0.062 177.358 177.300 -0.007 0.000 1.268 270 P CA 0.117 63.206 63.100 -0.018 0.000 0.833 270 P CB 0.364 32.051 31.700 -0.022 0.000 1.231 271 L N 0.861 122.085 121.223 0.002 0.000 2.452 271 L HA 0.272 4.614 4.340 0.003 0.000 0.267 271 L C 1.139 178.017 176.870 0.013 0.000 1.188 271 L CA -0.251 54.597 54.840 0.014 0.000 0.821 271 L CB 0.296 42.374 42.059 0.031 0.000 1.102 271 L HN 0.179 nan 8.230 nan 0.000 0.470 272 C N -0.466 118.843 119.300 0.014 0.000 3.314 272 C HA 0.468 4.930 4.460 0.003 0.000 0.344 272 C C -0.431 174.567 174.990 0.013 0.000 1.461 272 C CA -1.125 57.900 59.018 0.011 0.000 1.249 272 C CB 1.319 29.061 27.740 0.004 0.000 1.632 272 C HN 0.859 nan 8.230 nan 0.000 0.452 273 E N 0.911 121.116 120.200 0.009 0.000 2.390 273 E HA 0.325 4.677 4.350 0.003 0.000 0.261 273 E C -0.013 176.591 176.600 0.007 0.000 1.076 273 E CA 0.054 56.459 56.400 0.009 0.000 0.905 273 E CB 0.493 30.197 29.700 0.005 0.000 0.984 273 E HN 0.528 nan 8.360 nan 0.000 0.427 274 M N 2.484 122.088 119.600 0.007 0.000 2.240 274 M HA -0.007 4.475 4.480 0.003 0.000 0.317 274 M C 0.523 176.825 176.300 0.003 0.000 1.087 274 M CA -0.270 55.033 55.300 0.006 0.000 1.176 274 M CB 0.026 32.628 32.600 0.004 0.000 1.439 274 M HN 0.524 nan 8.290 nan 0.000 0.452 275 N N 0.943 119.645 118.700 0.003 0.000 2.381 275 N HA 0.054 4.796 4.740 0.003 0.000 0.254 275 N C 0.086 175.596 175.510 -0.000 0.000 1.264 275 N CA -0.171 52.880 53.050 0.002 0.000 0.942 275 N CB 0.389 38.877 38.487 0.002 0.000 1.190 275 N HN 0.634 nan 8.380 nan 0.000 0.495 276 E N -0.379 119.821 120.200 -0.000 0.000 2.038 276 E HA -0.275 4.077 4.350 0.003 0.000 0.195 276 E C 1.201 177.799 176.600 -0.002 0.000 1.000 276 E CA 1.603 58.002 56.400 -0.001 0.000 0.803 276 E CB -0.241 29.458 29.700 -0.001 0.000 0.750 276 E HN 0.774 nan 8.360 nan 0.000 0.448 277 N N 0.717 119.415 118.700 -0.002 0.000 2.120 277 N HA -0.153 4.589 4.740 0.003 0.000 0.188 277 N C 1.523 177.030 175.510 -0.006 0.000 1.024 277 N CA 1.431 54.479 53.050 -0.003 0.000 0.852 277 N CB 0.040 38.525 38.487 -0.002 0.000 1.003 277 N HN 0.030 nan 8.380 nan 0.000 0.424 278 N N 0.223 118.920 118.700 -0.005 0.000 2.216 278 N HA -0.103 4.638 4.740 0.003 0.000 0.183 278 N C 1.568 177.072 175.510 -0.011 0.000 1.017 278 N CA 0.488 53.533 53.050 -0.009 0.000 0.861 278 N CB -0.536 37.948 38.487 -0.005 0.000 0.986 278 N HN 0.275 nan 8.380 nan 0.000 0.428 279 L N 1.963 123.182 121.223 -0.007 0.000 2.042 279 L HA -0.127 4.215 4.340 0.003 0.000 0.210 279 L C 1.796 178.661 176.870 -0.008 0.000 1.076 279 L CA 1.805 56.641 54.840 -0.007 0.000 0.749 279 L CB -0.471 41.586 42.059 -0.004 0.000 0.893 279 L HN 0.005 nan 8.230 nan 0.000 0.432 280 E N -0.306 119.890 120.200 -0.007 0.000 2.204 280 E HA -0.136 4.216 4.350 0.003 0.000 0.194 280 E C 2.326 178.921 176.600 -0.009 0.000 0.989 280 E CA 1.274 57.670 56.400 -0.006 0.000 0.824 280 E CB -0.257 29.440 29.700 -0.004 0.000 0.756 280 E HN 0.607 nan 8.360 nan 0.000 0.477 281 I N 0.426 120.988 120.570 -0.014 0.000 2.202 281 I HA -0.249 3.923 4.170 0.003 0.000 0.242 281 I C 2.367 178.469 176.117 -0.025 0.000 1.091 281 I CA 0.505 61.792 61.300 -0.021 0.000 1.368 281 I CB -0.198 37.785 38.000 -0.029 0.000 1.058 281 I HN 0.097 nan 8.210 nan 0.000 0.410 282 L N 1.144 122.351 121.223 -0.026 0.000 2.012 282 L HA -0.223 4.119 4.340 0.003 0.000 0.210 282 L C 2.406 179.268 176.870 -0.013 0.000 1.073 282 L CA 1.946 56.770 54.840 -0.027 0.000 0.748 282 L CB -0.639 41.406 42.059 -0.024 0.000 0.891 282 L HN 0.066 nan 8.230 nan 0.000 0.431 283 K N -0.416 119.980 120.400 -0.007 0.000 2.032 283 K HA -0.267 4.055 4.320 0.003 0.000 0.209 283 K C 2.208 178.812 176.600 0.007 0.000 1.048 283 K CA 1.961 58.248 56.287 0.001 0.000 0.927 283 K CB -0.289 32.211 32.500 0.000 0.000 0.712 283 K HN 0.325 nan 8.250 nan 0.000 0.441 284 K N 1.062 121.463 120.400 0.003 0.000 2.044 284 K HA -0.207 4.115 4.320 0.003 0.000 0.210 284 K C 1.815 178.426 176.600 0.017 0.000 1.049 284 K CA 1.653 57.945 56.287 0.008 0.000 0.927 284 K CB 0.124 32.625 32.500 0.002 0.000 0.713 284 K HN 0.034 nan 8.250 nan 0.000 0.443 285 E N 0.722 120.928 120.200 0.009 0.000 2.152 285 E HA -0.114 4.238 4.350 0.003 0.000 0.192 285 E C 2.144 178.774 176.600 0.050 0.000 0.983 285 E CA 0.681 57.093 56.400 0.020 0.000 0.818 285 E CB -0.099 29.590 29.700 -0.020 0.000 0.758 285 E HN 0.387 nan 8.360 nan 0.000 0.467 286 L N 0.667 121.912 121.223 0.037 0.000 2.046 286 L HA -0.176 4.165 4.340 0.003 0.000 0.208 286 L C 2.402 179.323 176.870 0.085 0.000 1.077 286 L CA 1.307 56.184 54.840 0.063 0.000 0.747 286 L CB -0.277 41.803 42.059 0.035 0.000 0.896 286 L HN 0.041 nan 8.230 nan 0.000 0.432 287 K N 0.008 120.441 120.400 0.055 0.000 2.057 287 K HA -0.117 4.205 4.320 0.003 0.000 0.207 287 K C 2.205 178.840 176.600 0.058 0.000 1.049 287 K CA 1.333 57.648 56.287 0.047 0.000 0.931 287 K CB -0.296 32.221 32.500 0.028 0.000 0.714 287 K HN 0.266 nan 8.250 nan 0.000 0.440 288 A N 0.164 123.025 122.820 0.068 0.000 2.019 288 A HA -0.174 4.148 4.320 0.003 0.000 0.219 288 A C 1.697 179.343 177.584 0.104 0.000 1.164 288 A CA 1.134 53.213 52.037 0.071 0.000 0.644 288 A CB -0.488 18.553 19.000 0.068 0.000 0.805 288 A HN 0.399 nan 8.150 nan 0.000 0.449 289 Y N 0.463 120.768 120.300 0.008 0.000 2.461 289 Y HA 0.104 4.656 4.550 0.003 0.000 0.277 289 Y C 0.272 176.183 175.900 0.018 0.000 1.182 289 Y CA 0.054 58.163 58.100 0.014 0.000 1.276 289 Y CB 0.049 38.520 38.460 0.017 0.000 1.087 289 Y HN 0.481 nan 8.280 nan 0.000 0.519 290 N N 0.211 118.943 118.700 0.053 0.000 2.754 290 N HA -0.246 4.496 4.740 0.003 0.000 0.248 290 N C 0.369 175.915 175.510 0.060 0.000 1.093 290 N CA 1.202 54.263 53.050 0.019 0.000 0.699 290 N CB -1.516 36.941 38.487 -0.050 0.000 1.016 290 N HN 0.470 nan 8.380 nan 0.000 0.552 291 L N -1.448 119.838 121.223 0.105 0.000 2.556 291 L HA 0.271 4.613 4.340 0.003 0.000 0.226 291 L C 1.267 178.170 176.870 0.055 0.000 1.089 291 L CA 0.506 55.406 54.840 0.101 0.000 0.864 291 L CB 0.047 42.191 42.059 0.142 0.000 1.067 291 L HN 0.332 nan 8.230 nan 0.000 0.477 292 M N 0.000 119.625 119.600 0.042 0.000 2.572 292 M HA 0.000 4.482 4.480 0.003 0.000 0.227 292 M CA 0.000 55.313 55.300 0.021 0.000 0.988 292 M CB 0.000 32.609 32.600 0.016 0.000 1.302 292 M HN 0.000 nan 8.290 nan 0.000 0.411