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 2nza_1_A DATA FIRST_RESID 13 DATA SEQUENCE PPPVRDWPAL DLDGPEFDPV LAELMREGPL TRVRLPHGEG WAWLATRYDD DATA SEQUENCE VKAITNDPRF GRAEVTQRQI TRLAPHFKPR PGSLAFADQP DHNRLRRAVA DATA SEQUENCE GAFTVGATKR LRPRAQEILD GLVDGILAEG PPADLVERVL EPFPIAVVSE DATA SEQUENCE VMGVPAADRE RVHSWTRQII STSGGAEAAE RAKRGLYGWI TETVRARAGS DATA SEQUENCE EGGDVYSMLG AAVGRGEVGE TEAVGLAGPL QIGGEAVTHN VGQMLYLLLT DATA SEQUENCE RRELMARMRE RPGARGTALD ELLRWISHRT SVGLARIALE DVEVHGTRIA DATA SEQUENCE AGEPVYVSYL AANRDPDVFP DPDRIDLDRD PNPHLAYGNG HHFCTGAVLA DATA SEQUENCE RMQTELLVDT LLERLPGLRL AVPAEQVAWR RKTMIRGPRT LPCTWHH 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.255 177.300 -0.075 0.000 1.155 13 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 13 P CB 0.000 31.677 31.700 -0.039 0.000 0.726 14 P HA 0.454 nan 4.420 nan 0.000 0.275 14 P C -2.589 174.615 177.300 -0.159 0.000 1.227 14 P CA -0.812 62.231 63.100 -0.095 0.000 0.781 14 P CB 0.411 32.071 31.700 -0.067 0.000 0.906 15 P HA -0.032 nan 4.420 nan 0.000 0.265 15 P C 0.071 177.251 177.300 -0.200 0.000 1.193 15 P CA 0.003 63.004 63.100 -0.165 0.000 0.765 15 P CB 0.422 32.055 31.700 -0.111 0.000 0.823 16 V N 4.926 124.685 119.914 -0.258 0.000 2.788 16 V HA -0.005 4.130 4.120 0.025 0.000 0.307 16 V C 1.244 177.260 176.094 -0.131 0.000 1.069 16 V CA 0.411 62.558 62.300 -0.254 0.000 1.173 16 V CB -0.377 31.286 31.823 -0.268 0.000 0.925 16 V HN 0.538 nan 8.190 nan 0.000 0.492 17 R N 2.375 122.819 120.500 -0.093 0.000 2.589 17 R HA 0.476 4.831 4.340 0.025 0.000 0.293 17 R C -1.059 175.244 176.300 0.004 0.000 0.963 17 R CA -0.969 55.098 56.100 -0.055 0.000 0.905 17 R CB 1.095 31.346 30.300 -0.082 0.000 1.144 17 R HN 0.660 nan 8.270 nan 0.000 0.459 18 D N 1.020 121.431 120.400 0.017 0.000 2.249 18 D HA 0.137 4.792 4.640 0.025 0.000 0.246 18 D C -0.645 175.743 176.300 0.147 0.000 1.114 18 D CA 0.039 54.077 54.000 0.063 0.000 0.854 18 D CB 0.769 41.587 40.800 0.030 0.000 1.132 18 D HN 0.272 nan 8.370 nan 0.000 0.461 19 W N 5.695 126.954 121.300 -0.068 0.000 2.406 19 W HA 0.364 5.041 4.660 0.029 0.000 0.308 19 W C -2.634 173.824 176.519 -0.101 0.000 0.965 19 W CA -3.003 54.291 57.345 -0.084 0.000 1.589 19 W CB 0.026 29.430 29.460 -0.095 0.000 1.417 19 W HN 0.311 nan 8.180 nan 0.000 0.415 20 P HA 0.154 nan 4.420 nan 0.000 0.271 20 P C -0.362 176.820 177.300 -0.197 0.000 1.233 20 P CA 0.069 63.130 63.100 -0.066 0.000 0.789 20 P CB 0.853 32.541 31.700 -0.020 0.000 0.951 21 A N 2.323 125.020 122.820 -0.205 0.000 3.078 21 A HA 0.345 4.680 4.320 0.025 0.000 0.279 21 A C 0.281 177.771 177.584 -0.158 0.000 1.594 21 A CA -0.501 51.395 52.037 -0.235 0.000 1.301 21 A CB -1.604 17.280 19.000 -0.194 0.000 1.162 21 A HN 0.464 nan 8.150 nan 0.000 0.585 22 L N -0.933 120.205 121.223 -0.142 0.000 2.417 22 L HA 0.512 4.867 4.340 0.025 0.000 0.268 22 L C -0.816 175.990 176.870 -0.106 0.000 1.158 22 L CA -0.637 54.147 54.840 -0.093 0.000 0.819 22 L CB 0.369 42.397 42.059 -0.053 0.000 1.112 22 L HN 0.280 nan 8.230 nan 0.000 0.458 23 D N 3.104 123.454 120.400 -0.083 0.000 2.473 23 D HA 0.424 5.079 4.640 0.025 0.000 0.226 23 D C -0.551 175.693 176.300 -0.094 0.000 1.089 23 D CA -0.382 53.568 54.000 -0.083 0.000 0.883 23 D CB 1.137 41.905 40.800 -0.054 0.000 1.029 23 D HN 0.173 nan 8.370 nan 0.000 0.517 24 L N 1.913 123.054 121.223 -0.136 0.000 2.416 24 L HA 0.155 4.511 4.340 0.025 0.000 0.272 24 L C 0.754 177.469 176.870 -0.259 0.000 1.161 24 L CA 0.244 54.972 54.840 -0.186 0.000 0.845 24 L CB 0.343 42.267 42.059 -0.225 0.000 1.119 24 L HN 0.366 nan 8.230 nan 0.000 0.464 25 D N 2.367 122.611 120.400 -0.261 0.000 2.564 25 D HA 0.516 5.171 4.640 0.025 0.000 0.226 25 D C 0.341 176.242 176.300 -0.665 0.000 1.149 25 D CA 0.484 54.298 54.000 -0.310 0.000 0.994 25 D CB 0.184 40.923 40.800 -0.102 0.000 1.029 25 D HN 0.715 nan 8.370 nan 0.000 0.517 26 G N 2.286 110.207 108.800 -1.467 0.000 2.350 26 G HA2 -0.019 3.956 3.960 0.025 0.000 0.282 26 G HA3 -0.019 3.956 3.960 0.025 0.000 0.282 26 G C -2.612 171.237 174.900 -1.750 0.000 1.314 26 G CA -0.633 43.382 45.100 -1.808 0.000 0.915 26 G HN 0.021 nan 8.290 nan 0.000 0.499 27 P HA 0.261 nan 4.420 nan 0.000 0.262 27 P C -0.001 177.200 177.300 -0.165 0.000 1.304 27 P CA 0.044 62.926 63.100 -0.363 0.000 0.859 27 P CB 0.331 32.130 31.700 0.164 0.000 1.310 28 E N 0.670 120.746 120.200 -0.207 0.000 2.652 28 E HA -0.003 4.362 4.350 0.025 0.000 0.255 28 E C -0.038 176.499 176.600 -0.105 0.000 0.952 28 E CA 0.126 56.470 56.400 -0.094 0.000 0.947 28 E CB -0.513 29.122 29.700 -0.107 0.000 0.912 28 E HN 0.143 nan 8.360 nan 0.000 0.489 29 F N 2.465 122.279 119.950 -0.226 0.000 2.586 29 F HA -0.045 4.499 4.527 0.028 0.000 0.344 29 F C 0.988 176.716 175.800 -0.120 0.000 1.188 29 F CA 0.195 58.056 58.000 -0.231 0.000 1.359 29 F CB 0.589 39.433 39.000 -0.260 0.000 1.129 29 F HN 0.301 nan 8.300 nan 0.000 0.609 30 D N 6.647 126.702 120.400 -0.576 0.000 2.346 30 D HA 0.072 4.727 4.640 0.025 0.000 0.260 30 D C -1.467 174.856 176.300 0.037 0.000 1.252 30 D CA -1.720 52.149 54.000 -0.219 0.000 0.895 30 D CB 1.309 42.001 40.800 -0.180 0.000 1.097 30 D HN 0.262 nan 8.370 nan 0.000 0.489 31 P HA -0.168 nan 4.420 nan 0.000 0.215 31 P C 1.591 178.921 177.300 0.051 0.000 1.153 31 P CA 0.648 63.805 63.100 0.095 0.000 0.853 31 P CB 0.390 32.121 31.700 0.051 0.000 0.788 32 V N 0.562 120.495 119.914 0.032 0.000 2.407 32 V HA -0.202 3.933 4.120 0.025 0.000 0.248 32 V C 2.790 178.727 176.094 -0.262 0.000 1.055 32 V CA 1.359 63.617 62.300 -0.070 0.000 1.049 32 V CB -1.241 30.597 31.823 0.024 0.000 0.662 32 V HN 0.040 nan 8.190 nan 0.000 0.455 33 L N 0.268 121.359 121.223 -0.221 0.000 2.005 33 L HA -0.143 4.213 4.340 0.025 0.000 0.207 33 L C 2.650 179.498 176.870 -0.037 0.000 1.072 33 L CA 1.810 56.446 54.840 -0.340 0.000 0.744 33 L CB -0.602 41.357 42.059 -0.166 0.000 0.895 33 L HN 0.322 nan 8.230 nan 0.000 0.433 34 A N -0.171 122.775 122.820 0.211 0.000 1.927 34 A HA -0.316 4.019 4.320 0.025 0.000 0.220 34 A C 2.023 179.614 177.584 0.011 0.000 1.185 34 A CA 2.268 54.409 52.037 0.173 0.000 0.639 34 A CB -0.697 18.394 19.000 0.152 0.000 0.820 34 A HN 0.646 nan 8.150 nan 0.000 0.451 35 E N -0.793 119.385 120.200 -0.037 0.000 2.017 35 E HA -0.172 4.194 4.350 0.025 0.000 0.193 35 E C 1.862 178.402 176.600 -0.100 0.000 0.997 35 E CA 1.190 57.548 56.400 -0.069 0.000 0.804 35 E CB -0.289 29.363 29.700 -0.080 0.000 0.757 35 E HN 0.419 nan 8.360 nan 0.000 0.448 36 L N 0.552 121.671 121.223 -0.174 0.000 2.129 36 L HA -0.207 4.149 4.340 0.025 0.000 0.212 36 L C 2.259 179.062 176.870 -0.111 0.000 1.087 36 L CA 1.601 56.329 54.840 -0.186 0.000 0.757 36 L CB -0.761 41.096 42.059 -0.337 0.000 0.896 36 L HN 0.258 nan 8.230 nan 0.000 0.434 37 M N -0.573 118.978 119.600 -0.082 0.000 2.086 37 M HA -0.204 4.291 4.480 0.025 0.000 0.261 37 M C 1.918 178.202 176.300 -0.026 0.000 1.067 37 M CA 1.683 56.965 55.300 -0.031 0.000 1.116 37 M CB -0.359 32.241 32.600 0.001 0.000 1.348 37 M HN 0.276 nan 8.290 nan 0.000 0.407 38 R N 0.150 120.630 120.500 -0.034 0.000 2.335 38 R HA 0.024 4.379 4.340 0.025 0.000 0.223 38 R C 1.208 177.488 176.300 -0.034 0.000 0.940 38 R CA 0.537 56.620 56.100 -0.029 0.000 1.086 38 R CB -0.350 29.933 30.300 -0.029 0.000 1.073 38 R HN 0.430 nan 8.270 nan 0.000 0.504 39 E N 0.949 121.124 120.200 -0.042 0.000 2.472 39 E HA 0.139 4.504 4.350 0.025 0.000 0.196 39 E C -0.147 176.430 176.600 -0.038 0.000 1.033 39 E CA 0.364 56.737 56.400 -0.044 0.000 0.886 39 E CB 0.505 30.169 29.700 -0.059 0.000 0.944 39 E HN 0.509 nan 8.360 nan 0.000 0.492 40 G N 1.009 109.789 108.800 -0.034 0.000 2.317 40 G HA2 -0.101 3.874 3.960 0.025 0.000 0.445 40 G HA3 -0.101 3.874 3.960 0.025 0.000 0.445 40 G C -2.367 172.513 174.900 -0.033 0.000 1.486 40 G CA -0.387 44.689 45.100 -0.041 0.000 0.991 40 G HN -0.151 nan 8.290 nan 0.000 0.660 41 P HA -0.048 nan 4.420 nan 0.000 0.217 41 P C 0.714 178.024 177.300 0.017 0.000 1.148 41 P CA 1.079 64.158 63.100 -0.035 0.000 0.828 41 P CB 0.456 31.999 31.700 -0.263 0.000 0.783 42 L N -0.989 120.240 121.223 0.011 0.000 2.401 42 L HA 0.475 4.830 4.340 0.025 0.000 0.266 42 L C -0.097 176.876 176.870 0.171 0.000 0.991 42 L CA -0.525 54.380 54.840 0.108 0.000 0.818 42 L CB 2.518 44.614 42.059 0.062 0.000 1.321 42 L HN -0.077 nan 8.230 nan 0.000 0.413 43 T N -0.973 113.730 114.554 0.249 0.000 2.868 43 T HA 0.574 4.939 4.350 0.025 0.000 0.306 43 T C -0.776 174.018 174.700 0.157 0.000 1.224 43 T CA -1.085 61.103 62.100 0.147 0.000 1.012 43 T CB 2.018 70.893 68.868 0.013 0.000 1.221 43 T HN 0.468 nan 8.240 nan 0.000 0.499 44 R N 0.914 121.372 120.500 -0.071 0.000 2.295 44 R HA 0.703 5.058 4.340 0.025 0.000 0.324 44 R C -0.374 175.895 176.300 -0.051 0.000 0.968 44 R CA -0.831 55.156 56.100 -0.189 0.000 0.837 44 R CB 1.764 31.563 30.300 -0.836 0.000 1.133 44 R HN 0.716 nan 8.270 nan 0.000 0.450 45 V N 0.191 120.180 119.914 0.126 0.000 2.864 45 V HA 0.662 4.797 4.120 0.025 0.000 0.314 45 V C -0.568 175.650 176.094 0.206 0.000 1.073 45 V CA -1.241 61.140 62.300 0.135 0.000 0.956 45 V CB 2.183 34.105 31.823 0.164 0.000 1.023 45 V HN 0.709 nan 8.190 nan 0.000 0.435 46 R N 2.437 123.032 120.500 0.158 0.000 2.360 46 R HA 0.738 5.093 4.340 0.025 0.000 0.318 46 R C -0.822 175.536 176.300 0.097 0.000 0.950 46 R CA -0.532 55.648 56.100 0.133 0.000 0.837 46 R CB 1.295 31.651 30.300 0.093 0.000 1.165 46 R HN 0.921 nan 8.270 nan 0.000 0.458 47 L N 5.568 126.823 121.223 0.053 0.000 2.469 47 L HA 0.442 4.797 4.340 0.025 0.000 0.253 47 L C -1.417 175.385 176.870 -0.113 0.000 1.143 47 L CA -2.226 52.586 54.840 -0.047 0.000 0.804 47 L CB 0.650 42.648 42.059 -0.102 0.000 1.214 47 L HN 0.506 nan 8.230 nan 0.000 0.476 48 P HA -0.111 nan 4.420 nan 0.000 0.215 48 P C -0.013 176.965 177.300 -0.536 0.000 1.157 48 P CA 1.485 64.329 63.100 -0.427 0.000 0.868 48 P CB 0.155 31.505 31.700 -0.583 0.000 0.788 49 H N -2.198 116.845 119.070 -0.044 0.000 2.713 49 H HA 0.521 5.080 4.556 0.004 0.000 0.340 49 H C 0.716 176.028 175.328 -0.028 0.000 1.271 49 H CA -0.149 55.881 56.048 -0.029 0.000 1.306 49 H CB 0.470 30.216 29.762 -0.027 0.000 1.839 49 H HN 0.144 nan 8.280 nan 0.000 0.627 50 G N 1.018 109.891 108.800 0.121 0.000 2.801 50 G HA2 -0.176 3.799 3.960 0.025 0.000 0.686 50 G HA3 -0.176 3.799 3.960 0.025 0.000 0.686 50 G C -0.200 174.711 174.900 0.019 0.000 1.507 50 G CA -0.357 44.766 45.100 0.038 0.000 0.980 50 G HN 0.648 nan 8.290 nan 0.000 0.589 51 E N 0.927 121.126 120.200 -0.001 0.000 2.312 51 E HA 0.659 5.024 4.350 0.025 0.000 0.259 51 E C 1.142 177.726 176.600 -0.027 0.000 1.122 51 E CA 0.217 56.614 56.400 -0.005 0.000 0.922 51 E CB 0.572 30.267 29.700 -0.008 0.000 1.109 51 E HN 2.486 nan 8.360 nan 0.000 0.442 52 G N 0.182 108.978 108.800 -0.007 0.000 2.698 52 G HA2 -0.233 3.742 3.960 0.025 0.000 0.233 52 G HA3 -0.233 3.742 3.960 0.025 0.000 0.233 52 G C -0.321 174.600 174.900 0.035 0.000 1.352 52 G CA -0.051 45.036 45.100 -0.021 0.000 0.879 52 G HN 0.744 nan 8.290 nan 0.000 0.567 53 W N -1.297 119.963 121.300 -0.067 0.000 3.207 53 W HA 0.886 5.560 4.660 0.023 0.000 0.340 53 W C 0.102 176.574 176.519 -0.077 0.000 1.336 53 W CA -0.757 56.540 57.345 -0.079 0.000 1.097 53 W CB 1.030 30.402 29.460 -0.147 0.000 1.671 53 W HN 1.956 nan 8.180 nan 0.000 0.636 54 A N -0.522 122.412 122.820 0.191 0.000 2.589 54 A HA 0.539 4.875 4.320 0.025 0.000 0.296 54 A C -2.027 175.757 177.584 0.333 0.000 1.062 54 A CA -0.940 51.096 52.037 -0.002 0.000 0.686 54 A CB 0.340 19.442 19.000 0.170 0.000 1.282 54 A HN 0.647 nan 8.150 nan 0.000 0.404 55 W N 0.366 121.846 121.300 0.301 0.000 2.137 55 W HA 0.482 5.159 4.660 0.029 0.000 0.344 55 W C 0.002 176.660 176.519 0.232 0.000 1.286 55 W CA 0.254 57.800 57.345 0.335 0.000 1.240 55 W CB 0.957 30.555 29.460 0.230 0.000 1.141 55 W HN 0.570 nan 8.180 nan 0.000 0.579 56 L N 3.006 124.532 121.223 0.506 0.000 2.482 56 L HA 0.633 4.989 4.340 0.025 0.000 0.269 56 L C -0.778 176.204 176.870 0.185 0.000 0.967 56 L CA -0.814 54.199 54.840 0.289 0.000 0.851 56 L CB 1.220 43.392 42.059 0.189 0.000 1.242 56 L HN 0.395 nan 8.230 nan 0.000 0.404 57 A N 3.161 126.045 122.820 0.106 0.000 2.252 57 A HA 0.604 4.939 4.320 0.025 0.000 0.309 57 A C 0.576 178.181 177.584 0.035 0.000 1.285 57 A CA -0.066 52.002 52.037 0.051 0.000 0.900 57 A CB 0.386 19.380 19.000 -0.010 0.000 1.157 57 A HN 0.842 nan 8.150 nan 0.000 0.536 58 T N 1.298 115.884 114.554 0.053 0.000 3.037 58 T HA 0.090 4.455 4.350 0.025 0.000 0.252 58 T C 0.984 175.745 174.700 0.101 0.000 1.073 58 T CA 0.551 62.687 62.100 0.059 0.000 1.091 58 T CB -0.086 68.806 68.868 0.040 0.000 0.935 58 T HN 0.518 nan 8.240 nan 0.000 0.488 59 R N 0.991 121.561 120.500 0.117 0.000 2.389 59 R HA 0.284 4.640 4.340 0.025 0.000 0.295 59 R C 0.669 177.073 176.300 0.172 0.000 1.075 59 R CA -0.506 55.691 56.100 0.162 0.000 1.005 59 R CB -0.270 30.143 30.300 0.188 0.000 0.987 59 R HN 0.168 nan 8.270 nan 0.000 0.452 60 Y N 2.960 123.325 120.300 0.108 0.000 1.997 60 Y HA -0.449 4.116 4.550 0.026 0.000 0.265 60 Y C 1.310 177.261 175.900 0.085 0.000 1.193 60 Y CA 2.644 60.822 58.100 0.129 0.000 1.106 60 Y CB 0.010 38.556 38.460 0.143 0.000 0.940 60 Y HN 0.687 nan 8.280 nan 0.000 0.494 61 D N -0.051 120.449 120.400 0.167 0.000 2.104 61 D HA -0.187 4.468 4.640 0.025 0.000 0.194 61 D C 1.794 178.063 176.300 -0.051 0.000 0.994 61 D CA 1.785 55.803 54.000 0.030 0.000 0.830 61 D CB -0.525 40.310 40.800 0.058 0.000 0.959 61 D HN 0.484 nan 8.370 nan 0.000 0.452 62 D N 0.188 120.568 120.400 -0.033 0.000 2.123 62 D HA -0.107 4.548 4.640 0.025 0.000 0.196 62 D C 2.354 178.610 176.300 -0.073 0.000 0.992 62 D CA 0.431 54.404 54.000 -0.043 0.000 0.833 62 D CB -0.400 40.411 40.800 0.018 0.000 0.954 62 D HN 0.091 nan 8.370 nan 0.000 0.455 63 V N 0.870 120.733 119.914 -0.084 0.000 2.237 63 V HA -0.249 3.886 4.120 0.025 0.000 0.245 63 V C 2.459 178.476 176.094 -0.128 0.000 1.046 63 V CA 1.651 63.870 62.300 -0.136 0.000 1.007 63 V CB -0.458 31.282 31.823 -0.139 0.000 0.638 63 V HN 0.143 nan 8.190 nan 0.000 0.445 64 K N -0.188 120.113 120.400 -0.164 0.000 2.063 64 K HA -0.210 4.125 4.320 0.025 0.000 0.208 64 K C 2.241 178.814 176.600 -0.044 0.000 1.048 64 K CA 1.627 57.845 56.287 -0.115 0.000 0.928 64 K CB -0.372 31.984 32.500 -0.241 0.000 0.713 64 K HN 0.464 nan 8.250 nan 0.000 0.442 65 A N 1.191 123.980 122.820 -0.052 0.000 1.877 65 A HA -0.146 4.190 4.320 0.025 0.000 0.216 65 A C 2.062 179.654 177.584 0.013 0.000 1.186 65 A CA 1.390 53.422 52.037 -0.007 0.000 0.620 65 A CB -0.568 18.424 19.000 -0.012 0.000 0.822 65 A HN 0.276 nan 8.150 nan 0.000 0.443 66 I N 0.468 121.000 120.570 -0.063 0.000 2.163 66 I HA -0.245 3.940 4.170 0.025 0.000 0.243 66 I C 2.385 178.407 176.117 -0.158 0.000 1.085 66 I CA 1.885 63.065 61.300 -0.201 0.000 1.347 66 I CB -0.805 36.956 38.000 -0.398 0.000 1.044 66 I HN 0.427 nan 8.210 nan 0.000 0.408 67 T N -1.250 113.249 114.554 -0.091 0.000 3.155 67 T HA -0.085 4.280 4.350 0.025 0.000 0.264 67 T C 1.328 176.086 174.700 0.097 0.000 1.160 67 T CA 0.703 62.808 62.100 0.008 0.000 1.075 67 T CB -0.310 68.605 68.868 0.077 0.000 0.921 67 T HN 0.279 nan 8.240 nan 0.000 0.533 68 N N 0.744 119.506 118.700 0.102 0.000 2.160 68 N HA 0.051 4.806 4.740 0.025 0.000 0.226 68 N C -0.973 174.625 175.510 0.147 0.000 1.256 68 N CA -0.074 53.051 53.050 0.125 0.000 0.890 68 N CB 0.464 39.003 38.487 0.087 0.000 1.116 68 N HN 0.310 nan 8.380 nan 0.000 0.517 69 D N 0.972 121.504 120.400 0.219 0.000 2.295 69 D HA 0.209 4.864 4.640 0.025 0.000 0.248 69 D C -1.687 174.739 176.300 0.211 0.000 1.154 69 D CA -1.666 52.474 54.000 0.233 0.000 0.857 69 D CB 2.163 43.193 40.800 0.384 0.000 1.117 69 D HN 0.039 nan 8.370 nan 0.000 0.468 70 P HA -0.022 nan 4.420 nan 0.000 0.225 70 P C 0.688 178.000 177.300 0.019 0.000 1.148 70 P CA 0.749 63.889 63.100 0.066 0.000 0.779 70 P CB 0.257 31.968 31.700 0.018 0.000 0.780 71 R N -1.549 118.905 120.500 -0.077 0.000 2.328 71 R HA 0.106 4.461 4.340 0.025 0.000 0.200 71 R C -0.127 175.900 176.300 -0.455 0.000 0.983 71 R CA 0.201 56.143 56.100 -0.263 0.000 1.062 71 R CB -0.484 29.595 30.300 -0.370 0.000 0.956 71 R HN 0.242 nan 8.270 nan 0.000 0.479 72 F N 0.236 120.208 119.950 0.035 0.000 2.403 72 F HA 0.376 4.918 4.527 0.024 0.000 0.355 72 F C 0.956 176.791 175.800 0.059 0.000 1.119 72 F CA -0.940 57.080 58.000 0.033 0.000 1.007 72 F CB 1.691 40.705 39.000 0.024 0.000 1.194 72 F HN -0.088 nan 8.300 nan 0.000 0.443 73 G N 2.062 110.976 108.800 0.190 0.000 2.420 73 G HA2 0.401 4.376 3.960 0.025 0.000 0.284 73 G HA3 0.401 4.376 3.960 0.025 0.000 0.284 73 G C 0.291 175.292 174.900 0.168 0.000 1.177 73 G CA -0.454 44.744 45.100 0.164 0.000 0.841 73 G HN 0.716 nan 8.290 nan 0.000 0.527 74 R N 0.829 121.443 120.500 0.190 0.000 2.373 74 R HA 0.341 4.696 4.340 0.025 0.000 0.221 74 R C 2.104 178.573 176.300 0.282 0.000 0.893 74 R CA 1.086 57.296 56.100 0.184 0.000 1.049 74 R CB 0.216 30.569 30.300 0.089 0.000 1.119 74 R HN 0.505 nan 8.270 nan 0.000 0.535 75 A N 0.656 123.616 122.820 0.233 0.000 1.874 75 A HA -0.029 4.307 4.320 0.025 0.000 0.214 75 A C 1.809 179.453 177.584 0.100 0.000 1.189 75 A CA 0.985 53.142 52.037 0.200 0.000 0.615 75 A CB -0.399 18.698 19.000 0.162 0.000 0.830 75 A HN 0.292 nan 8.150 nan 0.000 0.443 76 E N 0.337 120.585 120.200 0.081 0.000 2.171 76 E HA -0.152 4.213 4.350 0.025 0.000 0.197 76 E C 1.948 178.558 176.600 0.018 0.000 0.997 76 E CA 1.348 57.770 56.400 0.037 0.000 0.810 76 E CB -0.315 29.405 29.700 0.033 0.000 0.738 76 E HN 0.344 nan 8.360 nan 0.000 0.467 77 V N 1.058 120.998 119.914 0.044 0.000 2.828 77 V HA -0.235 3.900 4.120 0.025 0.000 0.260 77 V C 2.468 178.563 176.094 0.002 0.000 1.101 77 V CA 2.023 64.335 62.300 0.021 0.000 1.123 77 V CB -1.149 30.737 31.823 0.106 0.000 0.704 77 V HN 0.411 nan 8.190 nan 0.000 0.493 78 T N -3.328 111.172 114.554 -0.089 0.000 3.067 78 T HA -0.065 4.300 4.350 0.025 0.000 0.261 78 T C 1.563 176.244 174.700 -0.032 0.000 1.110 78 T CA 0.510 62.502 62.100 -0.180 0.000 1.113 78 T CB -0.011 68.615 68.868 -0.404 0.000 0.917 78 T HN 0.387 nan 8.240 nan 0.000 0.499 79 Q N 0.363 120.153 119.800 -0.017 0.000 2.319 79 Q HA 0.343 4.698 4.340 0.025 0.000 0.209 79 Q C 0.717 176.719 176.000 0.003 0.000 0.884 79 Q CA 0.162 55.960 55.803 -0.009 0.000 0.938 79 Q CB 0.680 29.408 28.738 -0.017 0.000 1.098 79 Q HN 0.620 nan 8.270 nan 0.000 0.517 80 R N -0.105 120.395 120.500 -0.000 0.000 2.810 80 R HA 0.370 4.725 4.340 0.025 0.000 0.245 80 R C 0.318 176.599 176.300 -0.031 0.000 1.168 80 R CA -0.727 55.358 56.100 -0.026 0.000 1.096 80 R CB 0.592 30.858 30.300 -0.056 0.000 1.259 80 R HN -0.160 nan 8.270 nan 0.000 0.518 81 Q N 1.211 120.980 119.800 -0.051 0.000 2.268 81 Q HA 0.199 4.554 4.340 0.025 0.000 0.289 81 Q C -0.461 175.483 176.000 -0.092 0.000 0.893 81 Q CA -0.398 55.373 55.803 -0.054 0.000 1.057 81 Q CB -0.169 28.555 28.738 -0.024 0.000 1.173 81 Q HN 0.390 nan 8.270 nan 0.000 0.449 82 I N 0.633 121.120 120.570 -0.138 0.000 2.996 82 I HA -0.162 4.023 4.170 0.025 0.000 0.311 82 I C 1.235 177.306 176.117 -0.077 0.000 1.219 82 I CA 0.716 61.931 61.300 -0.142 0.000 1.452 82 I CB -0.212 37.672 38.000 -0.192 0.000 1.319 82 I HN -0.051 nan 8.210 nan 0.000 0.564 83 T N 6.955 121.496 114.554 -0.022 0.000 2.792 83 T HA 0.220 4.585 4.350 0.025 0.000 0.286 83 T C 0.187 174.938 174.700 0.085 0.000 0.970 83 T CA -0.274 61.846 62.100 0.033 0.000 1.187 83 T CB -0.287 68.619 68.868 0.063 0.000 0.915 83 T HN 0.741 nan 8.240 nan 0.000 0.529 84 R N 3.624 124.140 120.500 0.026 0.000 2.919 84 R HA 0.619 4.975 4.340 0.025 0.000 0.260 84 R C 0.440 176.723 176.300 -0.028 0.000 1.067 84 R CA -1.102 55.001 56.100 0.004 0.000 1.003 84 R CB 0.649 30.916 30.300 -0.056 0.000 1.192 84 R HN 0.487 nan 8.270 nan 0.000 0.488 85 L N 0.151 121.324 121.223 -0.083 0.000 2.446 85 L HA 0.393 4.748 4.340 0.025 0.000 0.219 85 L C 0.156 177.062 176.870 0.059 0.000 1.116 85 L CA 0.814 55.588 54.840 -0.110 0.000 0.844 85 L CB 0.142 42.052 42.059 -0.249 0.000 0.970 85 L HN 0.818 nan 8.230 nan 0.000 0.457 86 A N -0.074 122.799 122.820 0.088 0.000 2.306 86 A HA 0.567 4.902 4.320 0.025 0.000 0.314 86 A C -1.752 175.823 177.584 -0.015 0.000 1.164 86 A CA -1.228 50.858 52.037 0.081 0.000 0.822 86 A CB 0.161 19.203 19.000 0.071 0.000 1.130 86 A HN 0.140 nan 8.150 nan 0.000 0.496 87 P HA -0.091 nan 4.420 nan 0.000 0.213 87 P C 0.883 178.014 177.300 -0.282 0.000 1.170 87 P CA 2.402 65.085 63.100 -0.695 0.000 0.893 87 P CB -0.278 31.163 31.700 -0.431 0.000 0.784 88 H N -1.146 117.865 119.070 -0.097 0.000 2.508 88 H HA 0.634 5.205 4.556 0.025 0.000 0.344 88 H C -1.020 174.398 175.328 0.151 0.000 1.192 88 H CA -0.885 55.168 56.048 0.008 0.000 1.290 88 H CB 0.839 30.599 29.762 -0.002 0.000 1.571 88 H HN 0.196 nan 8.280 nan 0.000 0.555 89 F N 1.003 120.938 119.950 -0.025 0.000 3.051 89 F HA 0.530 5.067 4.527 0.015 0.000 0.363 89 F C -0.390 175.401 175.800 -0.016 0.000 1.257 89 F CA -0.702 57.297 58.000 -0.000 0.000 1.126 89 F CB 0.725 39.725 39.000 0.001 0.000 1.476 89 F HN 0.856 nan 8.300 nan 0.000 0.576 90 K N 6.275 126.413 120.400 -0.436 0.000 2.624 90 K HA 0.599 4.934 4.320 0.025 0.000 0.200 90 K C -2.974 173.360 176.600 -0.443 0.000 1.036 90 K CA -1.340 54.688 56.287 -0.431 0.000 1.029 90 K CB -0.116 32.275 32.500 -0.182 0.000 1.317 90 K HN 0.477 nan 8.250 nan 0.000 0.555 91 P HA 0.200 nan 4.420 nan 0.000 0.268 91 P C -0.731 176.457 177.300 -0.187 0.000 1.205 91 P CA -0.303 62.572 63.100 -0.374 0.000 0.771 91 P CB 0.895 32.092 31.700 -0.838 0.000 0.858 92 R N 2.920 123.395 120.500 -0.041 0.000 2.711 92 R HA 0.463 4.818 4.340 0.025 0.000 0.284 92 R C -2.554 173.735 176.300 -0.018 0.000 0.968 92 R CA -2.237 53.824 56.100 -0.065 0.000 0.924 92 R CB 1.263 31.495 30.300 -0.113 0.000 1.162 92 R HN 0.256 nan 8.270 nan 0.000 0.465 93 P HA 0.052 nan 4.420 nan 0.000 0.261 93 P C 0.124 177.417 177.300 -0.011 0.000 1.183 93 P CA 1.180 64.271 63.100 -0.014 0.000 0.761 93 P CB 0.729 32.411 31.700 -0.030 0.000 0.785 94 G N 2.111 110.920 108.800 0.016 0.000 2.238 94 G HA2 -0.243 3.732 3.960 0.025 0.000 0.217 94 G HA3 -0.243 3.732 3.960 0.025 0.000 0.217 94 G C 0.556 175.461 174.900 0.009 0.000 0.996 94 G CA 0.032 45.135 45.100 0.004 0.000 0.632 94 G HN 0.717 nan 8.290 nan 0.000 0.503 95 S N 0.790 116.514 115.700 0.040 0.000 2.515 95 S HA 0.377 4.862 4.470 0.025 0.000 0.285 95 S C 1.975 176.599 174.600 0.040 0.000 1.265 95 S CA 0.148 58.373 58.200 0.040 0.000 1.079 95 S CB 0.279 63.541 63.200 0.104 0.000 0.877 95 S HN 0.401 nan 8.310 nan 0.000 0.493 96 L N 5.083 126.296 121.223 -0.018 0.000 2.131 96 L HA -0.124 4.231 4.340 0.025 0.000 0.210 96 L C 2.786 179.752 176.870 0.160 0.000 1.092 96 L CA 1.368 56.203 54.840 -0.009 0.000 0.759 96 L CB -0.789 41.213 42.059 -0.096 0.000 0.903 96 L HN 0.863 nan 8.230 nan 0.000 0.435 97 A N 0.111 122.899 122.820 -0.053 0.000 1.958 97 A HA -0.217 4.118 4.320 0.025 0.000 0.221 97 A C 1.634 178.912 177.584 -0.510 0.000 1.178 97 A CA 1.776 53.604 52.037 -0.348 0.000 0.642 97 A CB -0.699 17.900 19.000 -0.669 0.000 0.816 97 A HN 0.468 nan 8.150 nan 0.000 0.453 98 F N -0.721 119.328 119.950 0.165 0.000 2.708 98 F HA 0.519 5.061 4.527 0.026 0.000 0.300 98 F C 0.984 176.920 175.800 0.226 0.000 1.118 98 F CA -0.147 57.945 58.000 0.153 0.000 1.307 98 F CB 0.230 39.292 39.000 0.104 0.000 0.986 98 F HN 0.208 nan 8.300 nan 0.000 0.522 99 A N 0.182 123.271 122.820 0.448 0.000 2.363 99 A HA 0.506 4.841 4.320 0.025 0.000 0.270 99 A C -0.564 177.315 177.584 0.491 0.000 1.121 99 A CA -0.208 52.077 52.037 0.413 0.000 0.800 99 A CB 0.300 19.500 19.000 0.333 0.000 1.052 99 A HN 0.117 nan 8.150 nan 0.000 0.493 100 D N 1.289 121.904 120.400 0.358 0.000 2.649 100 D HA 0.289 4.945 4.640 0.025 0.000 0.249 100 D C -0.385 176.031 176.300 0.193 0.000 1.112 100 D CA -0.228 53.963 54.000 0.318 0.000 0.850 100 D CB 1.295 42.235 40.800 0.233 0.000 1.399 100 D HN 0.474 nan 8.370 nan 0.000 0.503 101 Q N 1.784 121.625 119.800 0.069 0.000 2.326 101 Q HA 0.026 4.382 4.340 0.025 0.000 0.314 101 Q C -1.290 174.717 176.000 0.011 0.000 1.091 101 Q CA -0.442 55.338 55.803 -0.037 0.000 0.974 101 Q CB 0.393 29.003 28.738 -0.212 0.000 1.220 101 Q HN 0.363 nan 8.270 nan 0.000 0.398 102 P HA -0.093 nan 4.420 nan 0.000 0.231 102 P C 0.254 177.578 177.300 0.040 0.000 1.168 102 P CA 0.444 63.548 63.100 0.007 0.000 0.779 102 P CB 0.512 32.214 31.700 0.003 0.000 0.844 103 D N -0.005 120.434 120.400 0.065 0.000 2.182 103 D HA -0.245 4.410 4.640 0.025 0.000 0.193 103 D C 1.959 178.316 176.300 0.096 0.000 0.999 103 D CA 1.214 55.261 54.000 0.078 0.000 0.850 103 D CB -1.094 39.767 40.800 0.103 0.000 0.994 103 D HN 0.191 nan 8.370 nan 0.000 0.450 104 H N 0.828 119.932 119.070 0.057 0.000 2.266 104 H HA -0.234 4.337 4.556 0.025 0.000 0.286 104 H C 2.000 177.342 175.328 0.023 0.000 1.102 104 H CA 2.358 58.442 56.048 0.060 0.000 1.182 104 H CB -0.740 29.098 29.762 0.127 0.000 1.345 104 H HN 0.249 nan 8.280 nan 0.000 0.485 105 N N -0.159 118.664 118.700 0.204 0.000 2.060 105 N HA -0.222 4.533 4.740 0.025 0.000 0.195 105 N C 2.386 177.910 175.510 0.023 0.000 1.028 105 N CA 1.327 54.442 53.050 0.108 0.000 0.861 105 N CB -0.112 38.403 38.487 0.048 0.000 1.029 105 N HN 0.375 nan 8.380 nan 0.000 0.428 106 R N 1.062 121.570 120.500 0.014 0.000 2.083 106 R HA -0.154 4.201 4.340 0.025 0.000 0.237 106 R C 2.089 178.376 176.300 -0.022 0.000 1.137 106 R CA 1.217 57.316 56.100 -0.001 0.000 0.951 106 R CB -0.312 29.991 30.300 0.005 0.000 0.851 106 R HN 0.226 nan 8.270 nan 0.000 0.434 107 L N 0.189 121.383 121.223 -0.049 0.000 1.961 107 L HA -0.148 4.207 4.340 0.025 0.000 0.210 107 L C 2.976 179.786 176.870 -0.099 0.000 1.072 107 L CA 1.763 56.555 54.840 -0.079 0.000 0.749 107 L CB -0.674 41.313 42.059 -0.120 0.000 0.889 107 L HN 0.272 nan 8.230 nan 0.000 0.432 108 R N 0.226 120.625 120.500 -0.170 0.000 2.133 108 R HA -0.251 4.104 4.340 0.025 0.000 0.247 108 R C 2.469 178.740 176.300 -0.048 0.000 1.151 108 R CA 1.702 57.721 56.100 -0.135 0.000 0.971 108 R CB -0.242 29.974 30.300 -0.139 0.000 0.866 108 R HN 0.231 nan 8.270 nan 0.000 0.447 109 R N -0.119 120.365 120.500 -0.027 0.000 2.113 109 R HA -0.183 4.172 4.340 0.025 0.000 0.244 109 R C 1.967 178.270 176.300 0.005 0.000 1.142 109 R CA 1.835 57.934 56.100 -0.003 0.000 0.953 109 R CB -0.369 29.931 30.300 -0.001 0.000 0.860 109 R HN 0.330 nan 8.270 nan 0.000 0.438 110 A N -0.136 122.683 122.820 -0.002 0.000 2.178 110 A HA -0.077 4.259 4.320 0.025 0.000 0.218 110 A C 1.815 179.415 177.584 0.026 0.000 1.157 110 A CA 1.605 53.648 52.037 0.010 0.000 0.689 110 A CB -0.041 18.962 19.000 0.004 0.000 0.787 110 A HN 0.406 nan 8.150 nan 0.000 0.465 111 V N -5.799 114.135 119.914 0.034 0.000 3.408 111 V HA 0.488 4.624 4.120 0.025 0.000 0.263 111 V C 2.020 178.215 176.094 0.168 0.000 1.503 111 V CA 0.749 63.104 62.300 0.091 0.000 1.046 111 V CB -0.677 31.195 31.823 0.083 0.000 0.851 111 V HN 0.367 nan 8.190 nan 0.000 0.435 112 A N 2.175 125.054 122.820 0.098 0.000 1.940 112 A HA -0.146 4.189 4.320 0.025 0.000 0.221 112 A C 2.399 180.091 177.584 0.181 0.000 1.190 112 A CA 2.954 55.067 52.037 0.126 0.000 0.647 112 A CB -1.615 17.418 19.000 0.054 0.000 0.821 112 A HN 1.053 nan 8.150 nan 0.000 0.457 113 G N -0.692 108.174 108.800 0.109 0.000 2.503 113 G HA2 -0.115 3.860 3.960 0.025 0.000 0.221 113 G HA3 -0.115 3.860 3.960 0.025 0.000 0.221 113 G C 1.704 176.636 174.900 0.053 0.000 1.131 113 G CA 1.691 46.833 45.100 0.069 0.000 0.756 113 G HN 1.055 nan 8.290 nan 0.000 0.572 114 A N -0.072 122.781 122.820 0.056 0.000 2.019 114 A HA 0.227 4.563 4.320 0.025 0.000 0.219 114 A C 1.775 179.158 177.584 -0.335 0.000 1.164 114 A CA 1.087 53.026 52.037 -0.164 0.000 0.644 114 A CB -0.322 18.500 19.000 -0.297 0.000 0.805 114 A HN 0.343 nan 8.150 nan 0.000 0.449 115 F N 0.667 120.604 119.950 -0.022 0.000 2.664 115 F HA 0.129 4.671 4.527 0.026 0.000 0.303 115 F C 1.551 177.339 175.800 -0.020 0.000 1.092 115 F CA 0.159 58.147 58.000 -0.020 0.000 1.305 115 F CB -0.734 38.258 39.000 -0.013 0.000 1.054 115 F HN 0.103 nan 8.300 nan 0.000 0.565 116 T N -2.739 111.881 114.554 0.110 0.000 2.734 116 T HA 0.102 4.467 4.350 0.025 0.000 0.314 116 T C 1.496 176.209 174.700 0.023 0.000 1.057 116 T CA -0.445 61.688 62.100 0.055 0.000 1.047 116 T CB 1.212 70.099 68.868 0.030 0.000 0.991 116 T HN -0.068 nan 8.240 nan 0.000 0.540 117 V N 2.051 121.970 119.914 0.009 0.000 2.427 117 V HA 0.007 4.142 4.120 0.025 0.000 0.248 117 V C 2.828 178.920 176.094 -0.004 0.000 1.051 117 V CA 2.283 64.583 62.300 -0.000 0.000 1.048 117 V CB -1.434 30.385 31.823 -0.007 0.000 0.666 117 V HN 1.125 nan 8.190 nan 0.000 0.456 118 G N -0.665 108.132 108.800 -0.005 0.000 2.421 118 G HA2 -0.102 3.873 3.960 0.025 0.000 0.217 118 G HA3 -0.102 3.873 3.960 0.025 0.000 0.217 118 G C 1.699 176.590 174.900 -0.015 0.000 1.143 118 G CA 0.830 45.926 45.100 -0.008 0.000 0.784 118 G HN 0.587 nan 8.290 nan 0.000 0.541 119 A N 0.136 122.944 122.820 -0.020 0.000 2.015 119 A HA 0.087 4.422 4.320 0.025 0.000 0.219 119 A C 2.403 179.953 177.584 -0.058 0.000 1.163 119 A CA 2.173 54.184 52.037 -0.043 0.000 0.646 119 A CB -0.404 18.562 19.000 -0.056 0.000 0.806 119 A HN 0.260 nan 8.150 nan 0.000 0.448 120 T N -1.166 113.363 114.554 -0.042 0.000 3.051 120 T HA 0.035 4.400 4.350 0.025 0.000 0.255 120 T C 1.887 176.575 174.700 -0.020 0.000 1.085 120 T CA 1.247 63.324 62.100 -0.040 0.000 1.109 120 T CB 0.054 68.908 68.868 -0.022 0.000 0.921 120 T HN 0.388 nan 8.240 nan 0.000 0.488 121 K N 1.600 121.993 120.400 -0.012 0.000 2.148 121 K HA 0.117 4.452 4.320 0.025 0.000 0.204 121 K C 2.273 178.870 176.600 -0.005 0.000 1.050 121 K CA 0.809 57.093 56.287 -0.003 0.000 0.942 121 K CB -0.017 32.482 32.500 -0.002 0.000 0.724 121 K HN 0.087 nan 8.250 nan 0.000 0.446 122 R N -0.312 120.180 120.500 -0.013 0.000 2.236 122 R HA -0.014 4.342 4.340 0.025 0.000 0.208 122 R C 1.710 178.002 176.300 -0.013 0.000 1.036 122 R CA 0.670 56.763 56.100 -0.012 0.000 1.001 122 R CB 0.020 30.310 30.300 -0.017 0.000 0.896 122 R HN 0.157 nan 8.270 nan 0.000 0.464 123 L N 0.155 121.366 121.223 -0.020 0.000 2.253 123 L HA 0.128 4.483 4.340 0.025 0.000 0.205 123 L C 2.168 179.041 176.870 0.005 0.000 1.078 123 L CA 1.105 55.934 54.840 -0.019 0.000 0.805 123 L CB -0.327 41.704 42.059 -0.047 0.000 0.963 123 L HN -0.041 nan 8.230 nan 0.000 0.459 124 R N 0.306 120.813 120.500 0.011 0.000 2.191 124 R HA -0.241 4.114 4.340 0.025 0.000 0.248 124 R C -0.635 175.688 176.300 0.038 0.000 1.127 124 R CA 2.895 59.014 56.100 0.031 0.000 0.943 124 R CB -1.663 28.652 30.300 0.026 0.000 0.891 124 R HN 0.287 nan 8.270 nan 0.000 0.439 125 P HA -0.167 nan 4.420 nan 0.000 0.215 125 P C 0.675 177.993 177.300 0.030 0.000 1.157 125 P CA 1.516 64.629 63.100 0.022 0.000 0.868 125 P CB -0.058 31.649 31.700 0.013 0.000 0.788 126 R N 0.090 120.608 120.500 0.030 0.000 2.189 126 R HA 0.080 4.436 4.340 0.025 0.000 0.218 126 R C 1.819 178.160 176.300 0.068 0.000 1.074 126 R CA 1.578 57.701 56.100 0.037 0.000 0.991 126 R CB -1.465 28.850 30.300 0.024 0.000 0.883 126 R HN 0.043 nan 8.270 nan 0.000 0.457 127 A N -0.327 122.543 122.820 0.084 0.000 2.021 127 A HA -0.037 4.298 4.320 0.025 0.000 0.216 127 A C 1.965 179.685 177.584 0.227 0.000 1.163 127 A CA 0.986 53.124 52.037 0.167 0.000 0.676 127 A CB -0.294 18.782 19.000 0.128 0.000 0.818 127 A HN 0.402 nan 8.150 nan 0.000 0.453 128 Q N 0.429 120.299 119.800 0.116 0.000 2.083 128 Q HA -0.113 4.243 4.340 0.025 0.000 0.198 128 Q C 1.821 177.834 176.000 0.022 0.000 0.969 128 Q CA 2.070 57.906 55.803 0.055 0.000 0.838 128 Q CB -0.332 28.423 28.738 0.028 0.000 0.900 128 Q HN 0.697 nan 8.270 nan 0.000 0.436 129 E N -0.197 120.025 120.200 0.036 0.000 2.058 129 E HA -0.197 4.169 4.350 0.025 0.000 0.194 129 E C 1.867 178.483 176.600 0.026 0.000 0.997 129 E CA 1.575 57.987 56.400 0.020 0.000 0.801 129 E CB -0.218 29.497 29.700 0.026 0.000 0.746 129 E HN 0.497 nan 8.360 nan 0.000 0.450 130 I N 0.499 121.117 120.570 0.080 0.000 2.091 130 I HA -0.301 3.884 4.170 0.025 0.000 0.239 130 I C 2.551 178.693 176.117 0.043 0.000 1.061 130 I CA 0.852 62.224 61.300 0.121 0.000 1.317 130 I CB -0.392 37.761 38.000 0.255 0.000 1.031 130 I HN 0.263 nan 8.210 nan 0.000 0.401 131 L N 0.842 122.028 121.223 -0.062 0.000 2.081 131 L HA -0.287 4.068 4.340 0.025 0.000 0.212 131 L C 2.023 178.740 176.870 -0.256 0.000 1.080 131 L CA 2.024 56.597 54.840 -0.446 0.000 0.754 131 L CB -0.864 40.761 42.059 -0.723 0.000 0.893 131 L HN 0.238 nan 8.230 nan 0.000 0.433 132 D N -0.539 119.774 120.400 -0.145 0.000 2.117 132 D HA -0.139 4.516 4.640 0.025 0.000 0.197 132 D C 2.050 178.298 176.300 -0.087 0.000 0.987 132 D CA 1.421 55.354 54.000 -0.111 0.000 0.829 132 D CB -0.331 40.427 40.800 -0.070 0.000 0.961 132 D HN 0.540 nan 8.370 nan 0.000 0.460 133 G N 1.250 110.015 108.800 -0.057 0.000 2.480 133 G HA2 -0.219 3.756 3.960 0.025 0.000 0.216 133 G HA3 -0.219 3.756 3.960 0.025 0.000 0.216 133 G C 1.867 176.737 174.900 -0.051 0.000 1.200 133 G CA 0.415 45.492 45.100 -0.038 0.000 0.782 133 G HN 0.249 nan 8.290 nan 0.000 0.554 134 L N 0.280 121.467 121.223 -0.061 0.000 2.051 134 L HA -0.171 4.185 4.340 0.025 0.000 0.214 134 L C 2.991 179.803 176.870 -0.097 0.000 1.076 134 L CA 0.865 55.665 54.840 -0.067 0.000 0.758 134 L CB -0.620 41.387 42.059 -0.086 0.000 0.890 134 L HN 0.127 nan 8.230 nan 0.000 0.433 135 V N -0.709 119.120 119.914 -0.143 0.000 2.453 135 V HA -0.240 3.895 4.120 0.025 0.000 0.247 135 V C 1.984 177.999 176.094 -0.131 0.000 1.048 135 V CA 1.684 63.878 62.300 -0.176 0.000 1.049 135 V CB -0.546 31.152 31.823 -0.209 0.000 0.672 135 V HN 0.373 nan 8.190 nan 0.000 0.457 136 D N 0.917 121.263 120.400 -0.089 0.000 2.158 136 D HA -0.133 4.522 4.640 0.025 0.000 0.197 136 D C 2.149 178.436 176.300 -0.022 0.000 0.995 136 D CA 1.638 55.606 54.000 -0.053 0.000 0.846 136 D CB -0.449 40.328 40.800 -0.038 0.000 0.941 136 D HN 0.462 nan 8.370 nan 0.000 0.456 137 G N 0.931 109.721 108.800 -0.017 0.000 2.424 137 G HA2 -0.158 3.817 3.960 0.025 0.000 0.214 137 G HA3 -0.158 3.817 3.960 0.025 0.000 0.214 137 G C 1.720 176.655 174.900 0.059 0.000 1.202 137 G CA 0.789 45.900 45.100 0.018 0.000 0.793 137 G HN 0.441 nan 8.290 nan 0.000 0.534 138 I N -1.132 119.467 120.570 0.050 0.000 2.361 138 I HA -0.042 4.143 4.170 0.025 0.000 0.251 138 I C 2.516 178.811 176.117 0.296 0.000 1.133 138 I CA 0.989 62.387 61.300 0.164 0.000 1.413 138 I CB -0.287 37.780 38.000 0.110 0.000 1.073 138 I HN 0.084 nan 8.210 nan 0.000 0.424 139 L N 1.377 122.653 121.223 0.088 0.000 2.017 139 L HA -0.170 4.186 4.340 0.025 0.000 0.208 139 L C 3.015 180.045 176.870 0.265 0.000 1.073 139 L CA 1.625 56.553 54.840 0.148 0.000 0.745 139 L CB -0.636 41.396 42.059 -0.045 0.000 0.894 139 L HN 0.426 nan 8.230 nan 0.000 0.432 140 A N -0.691 122.224 122.820 0.159 0.000 2.014 140 A HA -0.142 4.193 4.320 0.025 0.000 0.218 140 A C 2.052 179.745 177.584 0.181 0.000 1.163 140 A CA 1.103 53.230 52.037 0.150 0.000 0.652 140 A CB -0.246 18.803 19.000 0.080 0.000 0.808 140 A HN 0.469 nan 8.150 nan 0.000 0.449 141 E N -1.111 119.199 120.200 0.182 0.000 2.230 141 E HA 0.333 4.698 4.350 0.025 0.000 0.192 141 E C 0.799 177.470 176.600 0.118 0.000 0.987 141 E CA 0.334 56.813 56.400 0.132 0.000 0.841 141 E CB 0.040 29.804 29.700 0.107 0.000 0.783 141 E HN 0.646 nan 8.360 nan 0.000 0.481 142 G N 0.979 109.913 108.800 0.223 0.000 2.592 142 G HA2 -0.128 3.847 3.960 0.025 0.000 0.685 142 G HA3 -0.128 3.847 3.960 0.025 0.000 0.685 142 G C -2.488 172.316 174.900 -0.160 0.000 1.278 142 G CA -0.797 44.334 45.100 0.051 0.000 0.822 142 G HN -0.203 nan 8.290 nan 0.000 0.652 143 P HA -0.131 nan 4.420 nan 0.000 0.224 143 P C -1.833 174.879 177.300 -0.980 0.000 1.153 143 P CA 1.962 64.092 63.100 -1.616 0.000 0.947 143 P CB -0.696 30.370 31.700 -1.056 0.000 0.790 144 P HA 0.149 nan 4.420 nan 0.000 0.257 144 P C -0.763 176.471 177.300 -0.111 0.000 1.269 144 P CA 1.209 64.165 63.100 -0.240 0.000 1.122 144 P CB -0.436 31.168 31.700 -0.161 0.000 1.285 145 A N 2.768 125.574 122.820 -0.023 0.000 2.549 145 A HA 0.475 4.810 4.320 0.025 0.000 0.297 145 A C -1.127 176.544 177.584 0.144 0.000 1.061 145 A CA -0.589 51.528 52.037 0.134 0.000 0.690 145 A CB 1.235 20.448 19.000 0.355 0.000 1.287 145 A HN 0.279 nan 8.150 nan 0.000 0.402 146 D N 2.561 123.021 120.400 0.100 0.000 2.441 146 D HA 0.301 4.956 4.640 0.025 0.000 0.221 146 D C 1.005 177.349 176.300 0.074 0.000 1.156 146 D CA -0.279 53.764 54.000 0.072 0.000 0.896 146 D CB 0.205 41.029 40.800 0.040 0.000 1.028 146 D HN 0.428 nan 8.370 nan 0.000 0.509 147 L N 2.976 124.248 121.223 0.081 0.000 2.129 147 L HA -0.196 4.159 4.340 0.025 0.000 0.212 147 L C 2.208 179.098 176.870 0.034 0.000 1.087 147 L CA 0.600 55.471 54.840 0.052 0.000 0.757 147 L CB -0.257 41.830 42.059 0.046 0.000 0.896 147 L HN 0.350 nan 8.230 nan 0.000 0.434 148 V N -0.099 119.832 119.914 0.029 0.000 2.307 148 V HA -0.285 3.850 4.120 0.025 0.000 0.245 148 V C 2.405 178.514 176.094 0.023 0.000 1.045 148 V CA 2.142 64.453 62.300 0.020 0.000 1.024 148 V CB -0.366 31.458 31.823 0.002 0.000 0.651 148 V HN 0.513 nan 8.190 nan 0.000 0.449 149 E N -0.639 119.576 120.200 0.026 0.000 2.385 149 E HA -0.094 4.271 4.350 0.025 0.000 0.194 149 E C 2.116 178.737 176.600 0.034 0.000 1.013 149 E CA 0.193 56.610 56.400 0.028 0.000 0.866 149 E CB 0.215 29.930 29.700 0.024 0.000 0.832 149 E HN 0.363 nan 8.360 nan 0.000 0.500 150 R N -0.371 120.151 120.500 0.036 0.000 2.265 150 R HA 0.117 4.472 4.340 0.025 0.000 0.194 150 R C 1.534 177.846 176.300 0.020 0.000 0.931 150 R CA 0.416 56.536 56.100 0.034 0.000 1.032 150 R CB 0.857 31.184 30.300 0.045 0.000 0.980 150 R HN 0.117 nan 8.270 nan 0.000 0.497 151 V N -0.691 119.235 119.914 0.019 0.000 3.658 151 V HA 0.055 4.191 4.120 0.025 0.000 0.197 151 V C 2.022 178.164 176.094 0.080 0.000 1.295 151 V CA -0.162 62.139 62.300 0.003 0.000 1.298 151 V CB -0.545 31.239 31.823 -0.066 0.000 1.347 151 V HN -0.090 nan 8.190 nan 0.000 0.548 152 L N 0.990 122.253 121.223 0.066 0.000 2.270 152 L HA -0.227 4.128 4.340 0.025 0.000 0.217 152 L C 2.417 179.327 176.870 0.067 0.000 1.107 152 L CA 2.448 57.343 54.840 0.091 0.000 0.772 152 L CB -0.284 41.805 42.059 0.050 0.000 0.902 152 L HN 0.624 nan 8.230 nan 0.000 0.439 153 E N 0.222 120.451 120.200 0.048 0.000 2.152 153 E HA -0.054 4.311 4.350 0.025 0.000 0.195 153 E C -0.776 175.842 176.600 0.030 0.000 0.934 153 E CA 0.131 56.535 56.400 0.007 0.000 0.869 153 E CB -0.194 29.504 29.700 -0.003 0.000 0.842 153 E HN 0.227 nan 8.360 nan 0.000 0.472 154 P HA -0.090 nan 4.420 nan 0.000 0.233 154 P C 1.099 178.489 177.300 0.151 0.000 1.167 154 P CA 0.669 63.829 63.100 0.100 0.000 0.770 154 P CB -0.028 31.740 31.700 0.112 0.000 0.837 155 F N 2.462 122.407 119.950 -0.008 0.000 2.123 155 F HA 0.195 4.738 4.527 0.025 0.000 0.289 155 F C -0.924 174.864 175.800 -0.020 0.000 1.099 155 F CA 0.373 58.369 58.000 -0.006 0.000 1.234 155 F CB -1.642 37.353 39.000 -0.008 0.000 1.034 155 F HN -0.086 nan 8.300 nan 0.000 0.479 156 P HA -0.176 nan 4.420 nan 0.000 0.216 156 P C 2.017 179.139 177.300 -0.296 0.000 1.150 156 P CA 2.048 64.903 63.100 -0.409 0.000 0.837 156 P CB -0.077 31.511 31.700 -0.187 0.000 0.786 157 I N -0.450 119.992 120.570 -0.213 0.000 2.076 157 I HA -0.297 3.889 4.170 0.025 0.000 0.237 157 I C 2.397 178.328 176.117 -0.309 0.000 1.059 157 I CA 1.735 62.889 61.300 -0.244 0.000 1.317 157 I CB -1.185 36.657 38.000 -0.262 0.000 1.037 157 I HN -0.080 nan 8.210 nan 0.000 0.398 158 A N 0.620 123.288 122.820 -0.253 0.000 1.903 158 A HA -0.206 4.129 4.320 0.025 0.000 0.219 158 A C 2.423 179.975 177.584 -0.052 0.000 1.191 158 A CA 2.357 54.376 52.037 -0.030 0.000 0.638 158 A CB -1.203 17.940 19.000 0.238 0.000 0.823 158 A HN 0.296 nan 8.150 nan 0.000 0.451 159 V N -0.595 119.215 119.914 -0.174 0.000 2.343 159 V HA -0.224 3.912 4.120 0.025 0.000 0.247 159 V C 2.529 178.529 176.094 -0.156 0.000 1.051 159 V CA 1.958 64.142 62.300 -0.194 0.000 1.036 159 V CB -0.731 30.845 31.823 -0.412 0.000 0.654 159 V HN 0.385 nan 8.190 nan 0.000 0.451 160 V N -0.239 119.575 119.914 -0.167 0.000 2.453 160 V HA -0.183 3.952 4.120 0.025 0.000 0.247 160 V C 2.474 178.523 176.094 -0.075 0.000 1.048 160 V CA 2.099 64.332 62.300 -0.112 0.000 1.049 160 V CB -0.463 31.318 31.823 -0.071 0.000 0.672 160 V HN 0.563 nan 8.190 nan 0.000 0.457 161 S N -0.761 114.899 115.700 -0.067 0.000 2.442 161 S HA -0.150 4.336 4.470 0.025 0.000 0.236 161 S C 1.895 176.530 174.600 0.058 0.000 1.007 161 S CA 0.915 59.127 58.200 0.019 0.000 0.965 161 S CB -0.176 63.038 63.200 0.024 0.000 0.773 161 S HN 0.600 nan 8.310 nan 0.000 0.504 162 E N 0.877 121.084 120.200 0.012 0.000 2.028 162 E HA -0.067 4.298 4.350 0.025 0.000 0.190 162 E C 2.295 178.876 176.600 -0.032 0.000 0.984 162 E CA 0.993 57.400 56.400 0.012 0.000 0.800 162 E CB -0.292 29.404 29.700 -0.006 0.000 0.758 162 E HN 0.331 nan 8.360 nan 0.000 0.448 163 V N 1.771 121.621 119.914 -0.107 0.000 2.287 163 V HA -0.288 3.847 4.120 0.025 0.000 0.248 163 V C 2.505 178.496 176.094 -0.171 0.000 1.053 163 V CA 1.460 63.640 62.300 -0.200 0.000 1.027 163 V CB -0.493 31.100 31.823 -0.384 0.000 0.646 163 V HN 0.276 nan 8.190 nan 0.000 0.447 164 M N -0.218 119.302 119.600 -0.134 0.000 2.144 164 M HA -0.036 4.459 4.480 0.025 0.000 0.260 164 M C 1.752 178.003 176.300 -0.082 0.000 1.067 164 M CA 1.779 56.964 55.300 -0.192 0.000 1.095 164 M CB -1.485 31.030 32.600 -0.141 0.000 1.365 164 M HN 0.697 nan 8.290 nan 0.000 0.406 165 G N 0.223 109.080 108.800 0.096 0.000 2.167 165 G HA2 -0.133 3.842 3.960 0.025 0.000 0.194 165 G HA3 -0.133 3.842 3.960 0.025 0.000 0.194 165 G C -0.152 174.983 174.900 0.392 0.000 1.027 165 G CA -0.041 45.182 45.100 0.206 0.000 0.717 165 G HN 0.316 nan 8.290 nan 0.000 0.501 166 V N 1.068 121.225 119.914 0.406 0.000 2.572 166 V HA 0.282 4.417 4.120 0.025 0.000 0.291 166 V C -0.505 175.765 176.094 0.292 0.000 1.039 166 V CA -0.749 61.830 62.300 0.465 0.000 1.055 166 V CB 0.954 32.952 31.823 0.291 0.000 0.969 166 V HN 0.238 nan 8.190 nan 0.000 0.482 167 P HA 0.083 nan 4.420 nan 0.000 0.281 167 P C 0.526 177.896 177.300 0.117 0.000 1.274 167 P CA 0.210 63.422 63.100 0.188 0.000 0.794 167 P CB 0.510 32.332 31.700 0.203 0.000 1.201 168 A N -0.522 122.343 122.820 0.075 0.000 2.095 168 A HA 0.239 4.574 4.320 0.025 0.000 0.212 168 A C 1.898 179.486 177.584 0.006 0.000 1.162 168 A CA 1.233 53.289 52.037 0.032 0.000 0.753 168 A CB -1.226 17.788 19.000 0.024 0.000 0.840 168 A HN 0.449 nan 8.150 nan 0.000 0.468 169 A N -0.428 122.408 122.820 0.027 0.000 2.081 169 A HA 0.060 4.395 4.320 0.025 0.000 0.214 169 A C 1.351 178.929 177.584 -0.010 0.000 1.158 169 A CA 1.283 53.325 52.037 0.007 0.000 0.724 169 A CB -0.115 18.903 19.000 0.031 0.000 0.826 169 A HN 0.314 nan 8.150 nan 0.000 0.463 170 D N -0.738 119.677 120.400 0.024 0.000 2.354 170 D HA 0.020 4.675 4.640 0.025 0.000 0.209 170 D C 1.675 177.899 176.300 -0.127 0.000 1.015 170 D CA 0.050 54.029 54.000 -0.035 0.000 0.867 170 D CB -0.152 40.721 40.800 0.121 0.000 0.933 170 D HN 0.065 nan 8.370 nan 0.000 0.520 171 R N 0.842 121.293 120.500 -0.082 0.000 2.226 171 R HA -0.123 4.232 4.340 0.025 0.000 0.246 171 R C 1.650 177.745 176.300 -0.341 0.000 1.161 171 R CA 0.780 56.791 56.100 -0.147 0.000 0.997 171 R CB -0.012 30.200 30.300 -0.146 0.000 0.870 171 R HN 0.336 nan 8.270 nan 0.000 0.465 172 E N -0.304 119.734 120.200 -0.271 0.000 2.413 172 E HA 0.023 4.388 4.350 0.025 0.000 0.203 172 E C 1.662 178.085 176.600 -0.295 0.000 0.957 172 E CA 0.017 56.242 56.400 -0.291 0.000 0.950 172 E CB 0.460 30.020 29.700 -0.232 0.000 0.957 172 E HN 0.289 nan 8.360 nan 0.000 0.497 173 R N 0.188 120.462 120.500 -0.377 0.000 2.055 173 R HA -0.033 4.322 4.340 0.025 0.000 0.228 173 R C 2.494 178.460 176.300 -0.557 0.000 1.143 173 R CA 1.355 57.051 56.100 -0.673 0.000 0.945 173 R CB -0.670 29.146 30.300 -0.806 0.000 0.841 173 R HN -0.069 nan 8.270 nan 0.000 0.429 174 V N 1.316 121.037 119.914 -0.322 0.000 2.250 174 V HA -0.318 3.817 4.120 0.025 0.000 0.250 174 V C 2.131 178.264 176.094 0.065 0.000 1.060 174 V CA 2.267 64.522 62.300 -0.075 0.000 1.030 174 V CB -0.839 30.835 31.823 -0.247 0.000 0.643 174 V HN 0.322 nan 8.190 nan 0.000 0.445 175 H N -0.081 118.916 119.070 -0.121 0.000 2.265 175 H HA -0.159 4.413 4.556 0.026 0.000 0.295 175 H C 2.654 177.945 175.328 -0.062 0.000 1.084 175 H CA 2.014 58.020 56.048 -0.069 0.000 1.261 175 H CB -0.869 28.849 29.762 -0.075 0.000 1.360 175 H HN 0.368 nan 8.280 nan 0.000 0.487 176 S N -0.613 115.089 115.700 0.003 0.000 2.420 176 S HA -0.187 4.298 4.470 0.025 0.000 0.237 176 S C 1.628 176.214 174.600 -0.023 0.000 1.023 176 S CA 1.114 59.264 58.200 -0.084 0.000 0.991 176 S CB -0.286 62.771 63.200 -0.238 0.000 0.792 176 S HN 0.466 nan 8.310 nan 0.000 0.488 177 W N 1.235 122.497 121.300 -0.063 0.000 2.640 177 W HA 0.254 4.930 4.660 0.026 0.000 0.268 177 W C 1.365 177.833 176.519 -0.084 0.000 1.263 177 W CA 0.314 57.609 57.345 -0.084 0.000 1.344 177 W CB -1.278 28.112 29.460 -0.117 0.000 1.093 177 W HN 0.145 nan 8.180 nan 0.000 0.603 178 T N 1.982 116.627 114.554 0.152 0.000 3.928 178 T HA -0.014 4.351 4.350 0.025 0.000 0.247 178 T C 0.678 175.403 174.700 0.041 0.000 0.955 178 T CA 0.447 62.580 62.100 0.055 0.000 0.935 178 T CB -0.600 68.263 68.868 -0.008 0.000 1.180 178 T HN -0.207 nan 8.240 nan 0.000 0.660 179 R N 1.248 121.785 120.500 0.062 0.000 2.791 179 R HA 0.247 4.602 4.340 0.025 0.000 0.357 179 R C 1.498 177.819 176.300 0.036 0.000 1.173 179 R CA -0.169 55.959 56.100 0.047 0.000 1.060 179 R CB 0.138 30.471 30.300 0.055 0.000 1.406 179 R HN 0.246 nan 8.270 nan 0.000 0.580 180 Q N -0.508 119.306 119.800 0.022 0.000 2.250 180 Q HA 0.067 4.422 4.340 0.025 0.000 0.200 180 Q C 1.323 177.342 176.000 0.031 0.000 0.941 180 Q CA 0.753 56.563 55.803 0.011 0.000 0.872 180 Q CB 0.071 28.804 28.738 -0.007 0.000 0.965 180 Q HN 0.232 nan 8.270 nan 0.000 0.480 181 I N 1.267 121.863 120.570 0.042 0.000 2.113 181 I HA -0.191 3.994 4.170 0.025 0.000 0.238 181 I C 1.159 177.316 176.117 0.066 0.000 1.070 181 I CA 0.770 62.113 61.300 0.072 0.000 1.332 181 I CB -0.660 37.380 38.000 0.068 0.000 1.044 181 I HN 0.138 nan 8.210 nan 0.000 0.402 182 I N -1.638 118.962 120.570 0.050 0.000 9.313 182 I HA -0.400 3.785 4.170 0.025 0.000 0.127 182 I C 1.525 177.671 176.117 0.049 0.000 1.859 182 I CA 0.458 61.782 61.300 0.041 0.000 2.056 182 I CB -0.965 37.053 38.000 0.031 0.000 3.975 182 I HN 0.312 nan 8.210 nan 0.000 0.175 183 S N -0.943 114.777 115.700 0.033 0.000 2.357 183 S HA -0.041 4.444 4.470 0.025 0.000 0.221 183 S C 0.991 175.604 174.600 0.021 0.000 1.031 183 S CA 1.729 59.946 58.200 0.027 0.000 0.982 183 S CB -0.083 63.126 63.200 0.015 0.000 0.853 183 S HN 0.837 nan 8.310 nan 0.000 0.458 184 T N -0.490 114.072 114.554 0.014 0.000 3.444 184 T HA 0.390 4.755 4.350 0.025 0.000 0.171 184 T C -0.230 174.475 174.700 0.007 0.000 0.918 184 T CA 0.202 62.304 62.100 0.002 0.000 0.974 184 T CB 0.310 69.177 68.868 -0.003 0.000 1.239 184 T HN 0.351 nan 8.240 nan 0.000 0.300 185 S N 0.601 116.306 115.700 0.008 0.000 2.750 185 S HA 0.520 5.005 4.470 0.025 0.000 0.276 185 S C 1.067 175.673 174.600 0.011 0.000 1.165 185 S CA 0.015 58.220 58.200 0.009 0.000 1.047 185 S CB 0.972 64.175 63.200 0.004 0.000 1.056 185 S HN 0.621 nan 8.310 nan 0.000 0.481 186 G N 2.669 111.478 108.800 0.014 0.000 2.462 186 G HA2 0.393 4.368 3.960 0.025 0.000 0.220 186 G HA3 0.393 4.368 3.960 0.025 0.000 0.220 186 G C 0.885 175.792 174.900 0.012 0.000 1.121 186 G CA 0.492 45.601 45.100 0.015 0.000 0.758 186 G HN 1.550 nan 8.290 nan 0.000 0.559 187 G N -2.937 105.869 108.800 0.010 0.000 2.312 187 G HA2 0.487 4.462 3.960 0.025 0.000 0.347 187 G HA3 0.487 4.462 3.960 0.025 0.000 0.347 187 G C 0.532 175.436 174.900 0.007 0.000 1.564 187 G CA 0.199 45.304 45.100 0.008 0.000 0.981 187 G HN 0.888 nan 8.290 nan 0.000 0.678 188 A N -0.039 122.783 122.820 0.005 0.000 1.927 188 A HA 0.241 4.576 4.320 0.025 0.000 0.220 188 A C 2.214 179.801 177.584 0.004 0.000 1.185 188 A CA 3.366 55.405 52.037 0.003 0.000 0.639 188 A CB -0.683 18.318 19.000 0.001 0.000 0.820 188 A HN 2.137 nan 8.150 nan 0.000 0.451 189 E N -1.225 118.979 120.200 0.006 0.000 2.481 189 E HA 0.605 4.971 4.350 0.025 0.000 0.198 189 E C 1.690 178.297 176.600 0.011 0.000 1.027 189 E CA 1.131 57.536 56.400 0.007 0.000 0.900 189 E CB -0.743 28.961 29.700 0.008 0.000 0.993 189 E HN 0.894 nan 8.360 nan 0.000 0.482 190 A N 1.273 124.100 122.820 0.012 0.000 1.822 190 A HA 0.356 4.691 4.320 0.025 0.000 0.214 190 A C 2.708 180.303 177.584 0.018 0.000 1.245 190 A CA 1.818 53.865 52.037 0.017 0.000 0.608 190 A CB -1.103 17.907 19.000 0.016 0.000 0.896 190 A HN 1.131 nan 8.150 nan 0.000 0.457 191 A N -0.730 122.097 122.820 0.012 0.000 2.259 191 A HA -0.009 4.326 4.320 0.025 0.000 0.212 191 A C 1.696 179.267 177.584 -0.023 0.000 1.178 191 A CA 1.951 53.989 52.037 0.002 0.000 0.734 191 A CB -0.596 18.405 19.000 0.001 0.000 0.774 191 A HN 0.687 nan 8.150 nan 0.000 0.481 192 E N 0.849 121.042 120.200 -0.012 0.000 2.006 192 E HA -0.161 4.204 4.350 0.025 0.000 0.192 192 E C 2.105 178.680 176.600 -0.042 0.000 0.993 192 E CA 1.638 58.026 56.400 -0.020 0.000 0.808 192 E CB -0.296 29.401 29.700 -0.004 0.000 0.764 192 E HN 0.571 nan 8.360 nan 0.000 0.449 193 R N 0.179 120.668 120.500 -0.018 0.000 2.105 193 R HA -0.088 4.267 4.340 0.025 0.000 0.239 193 R C 2.421 178.674 176.300 -0.078 0.000 1.135 193 R CA 1.151 57.240 56.100 -0.020 0.000 0.967 193 R CB -0.575 29.745 30.300 0.034 0.000 0.861 193 R HN 0.293 nan 8.270 nan 0.000 0.442 194 A N 2.554 125.350 122.820 -0.040 0.000 1.883 194 A HA -0.264 4.072 4.320 0.025 0.000 0.217 194 A C 2.084 179.447 177.584 -0.369 0.000 1.186 194 A CA 2.065 54.063 52.037 -0.065 0.000 0.624 194 A CB -0.442 18.599 19.000 0.068 0.000 0.822 194 A HN 0.448 nan 8.150 nan 0.000 0.444 195 K N -0.772 119.433 120.400 -0.324 0.000 2.288 195 K HA -0.026 4.309 4.320 0.025 0.000 0.201 195 K C 1.792 178.018 176.600 -0.624 0.000 1.048 195 K CA 1.193 57.127 56.287 -0.589 0.000 0.956 195 K CB -0.162 32.105 32.500 -0.389 0.000 0.746 195 K HN 0.371 nan 8.250 nan 0.000 0.461 196 R N 0.410 120.711 120.500 -0.331 0.000 2.240 196 R HA 0.049 4.405 4.340 0.025 0.000 0.203 196 R C 2.201 178.304 176.300 -0.328 0.000 1.011 196 R CA 0.834 56.818 56.100 -0.195 0.000 1.007 196 R CB 0.085 30.332 30.300 -0.089 0.000 0.911 196 R HN 0.486 nan 8.270 nan 0.000 0.468 197 G N 1.222 109.625 108.800 -0.662 0.000 2.508 197 G HA2 -0.181 3.794 3.960 0.025 0.000 0.212 197 G HA3 -0.181 3.794 3.960 0.025 0.000 0.212 197 G C 1.252 175.309 174.900 -1.404 0.000 1.206 197 G CA -0.077 44.312 45.100 -1.185 0.000 0.822 197 G HN 0.132 nan 8.290 nan 0.000 0.550 198 L N 0.147 120.520 121.223 -1.417 0.000 1.978 198 L HA -0.147 4.209 4.340 0.025 0.000 0.218 198 L C 2.697 179.492 176.870 -0.123 0.000 1.075 198 L CA 1.920 56.398 54.840 -0.604 0.000 0.767 198 L CB -0.981 40.862 42.059 -0.361 0.000 0.890 198 L HN 0.431 nan 8.230 nan 0.000 0.434 199 Y N -0.569 119.637 120.300 -0.157 0.000 2.193 199 Y HA -0.253 4.311 4.550 0.023 0.000 0.285 199 Y C 2.423 178.284 175.900 -0.066 0.000 1.166 199 Y CA 0.409 58.473 58.100 -0.060 0.000 1.181 199 Y CB -0.810 37.609 38.460 -0.069 0.000 0.976 199 Y HN 0.431 nan 8.280 nan 0.000 0.520 200 G N -0.326 108.487 108.800 0.022 0.000 2.453 200 G HA2 -0.319 3.656 3.960 0.025 0.000 0.215 200 G HA3 -0.319 3.656 3.960 0.025 0.000 0.215 200 G C 1.248 176.163 174.900 0.026 0.000 1.201 200 G CA 0.764 45.865 45.100 0.001 0.000 0.784 200 G HN 0.619 nan 8.290 nan 0.000 0.545 201 W N 1.475 122.681 121.300 -0.156 0.000 2.290 201 W HA -0.199 4.476 4.660 0.024 0.000 0.311 201 W C 2.352 178.810 176.519 -0.101 0.000 1.238 201 W CA 1.989 59.293 57.345 -0.067 0.000 1.255 201 W CB -0.254 29.218 29.460 0.020 0.000 1.145 201 W HN 0.206 nan 8.180 nan 0.000 0.506 202 I N -0.285 120.285 120.570 0.001 0.000 2.163 202 I HA -0.366 3.819 4.170 0.025 0.000 0.243 202 I C 2.338 178.260 176.117 -0.325 0.000 1.085 202 I CA 1.936 63.075 61.300 -0.268 0.000 1.347 202 I CB -1.158 36.931 38.000 0.149 0.000 1.044 202 I HN -0.035 nan 8.210 nan 0.000 0.408 203 T N -0.113 114.348 114.554 -0.156 0.000 2.674 203 T HA -0.219 4.147 4.350 0.025 0.000 0.265 203 T C 1.770 176.347 174.700 -0.205 0.000 1.039 203 T CA 1.524 63.544 62.100 -0.134 0.000 1.150 203 T CB -0.251 68.574 68.868 -0.071 0.000 0.864 203 T HN 0.269 nan 8.240 nan 0.000 0.427 204 E N 0.495 120.554 120.200 -0.235 0.000 2.065 204 E HA -0.156 4.209 4.350 0.025 0.000 0.201 204 E C 2.397 178.776 176.600 -0.369 0.000 1.016 204 E CA 1.856 58.104 56.400 -0.253 0.000 0.818 204 E CB -0.370 29.184 29.700 -0.242 0.000 0.749 204 E HN 0.428 nan 8.360 nan 0.000 0.453 205 T N -0.092 114.065 114.554 -0.662 0.000 2.545 205 T HA -0.186 4.179 4.350 0.025 0.000 0.261 205 T C 1.970 176.425 174.700 -0.407 0.000 1.097 205 T CA 1.803 63.463 62.100 -0.732 0.000 1.189 205 T CB -0.716 67.318 68.868 -1.391 0.000 0.863 205 T HN -0.006 nan 8.240 nan 0.000 0.405 206 V N 1.586 121.287 119.914 -0.354 0.000 2.357 206 V HA -0.309 3.826 4.120 0.025 0.000 0.257 206 V C 2.616 178.645 176.094 -0.109 0.000 1.082 206 V CA 2.004 64.218 62.300 -0.144 0.000 1.078 206 V CB -0.757 31.025 31.823 -0.068 0.000 0.663 206 V HN 0.358 nan 8.190 nan 0.000 0.455 207 R N -0.573 119.849 120.500 -0.130 0.000 2.091 207 R HA -0.096 4.259 4.340 0.025 0.000 0.238 207 R C 1.853 178.106 176.300 -0.080 0.000 1.136 207 R CA 1.395 57.441 56.100 -0.091 0.000 0.959 207 R CB -0.377 29.868 30.300 -0.092 0.000 0.856 207 R HN 0.616 nan 8.270 nan 0.000 0.437 208 A N 0.350 123.107 122.820 -0.105 0.000 3.559 208 A HA 0.011 4.346 4.320 0.025 0.000 0.145 208 A C 0.736 178.283 177.584 -0.061 0.000 1.506 208 A CA 0.496 52.486 52.037 -0.078 0.000 1.065 208 A CB -0.444 18.499 19.000 -0.094 0.000 1.485 208 A HN 0.369 nan 8.150 nan 0.000 0.698 209 R N -1.509 118.961 120.500 -0.050 0.000 3.903 209 R HA -0.255 4.100 4.340 0.025 0.000 0.263 209 R C 0.545 176.841 176.300 -0.008 0.000 1.267 209 R CA 0.326 56.415 56.100 -0.020 0.000 0.870 209 R CB -1.923 28.372 30.300 -0.009 0.000 1.173 209 R HN 0.768 nan 8.270 nan 0.000 0.559 210 A N 0.862 123.672 122.820 -0.016 0.000 2.440 210 A HA 0.468 4.803 4.320 0.025 0.000 0.251 210 A C 1.038 178.620 177.584 -0.004 0.000 1.089 210 A CA 0.379 52.411 52.037 -0.010 0.000 0.779 210 A CB 0.486 19.477 19.000 -0.016 0.000 1.022 210 A HN 0.561 nan 8.150 nan 0.000 0.492 211 G N 1.744 110.544 108.800 0.001 0.000 2.330 211 G HA2 0.257 4.232 3.960 0.025 0.000 0.239 211 G HA3 0.257 4.232 3.960 0.025 0.000 0.239 211 G C 0.021 174.924 174.900 0.005 0.000 0.818 211 G CA 0.760 45.862 45.100 0.003 0.000 1.189 211 G HN 2.644 nan 8.290 nan 0.000 0.337 212 S N 0.380 116.086 115.700 0.009 0.000 2.579 212 S HA 0.636 5.122 4.470 0.025 0.000 0.290 212 S C 0.133 174.742 174.600 0.015 0.000 1.123 212 S CA -0.407 57.800 58.200 0.012 0.000 0.894 212 S CB 1.958 65.166 63.200 0.014 0.000 1.095 212 S HN 0.470 nan 8.310 nan 0.000 0.450 213 E N 2.059 122.268 120.200 0.014 0.000 4.327 213 E HA 0.457 4.822 4.350 0.025 0.000 0.579 213 E C 1.065 177.676 176.600 0.018 0.000 0.402 213 E CA 0.809 57.217 56.400 0.014 0.000 3.827 213 E CB -1.040 28.666 29.700 0.011 0.000 2.359 213 E HN 2.038 nan 8.360 nan 0.000 0.316 214 G N -0.435 108.375 108.800 0.016 0.000 3.347 214 G HA2 -0.099 3.876 3.960 0.025 0.000 0.597 214 G HA3 -0.099 3.876 3.960 0.025 0.000 0.597 214 G C 0.750 175.659 174.900 0.015 0.000 0.831 214 G CA 0.328 45.439 45.100 0.018 0.000 0.778 214 G HN 0.539 nan 8.290 nan 0.000 0.459 215 G N 1.698 110.501 108.800 0.005 0.000 2.586 215 G HA2 0.110 4.085 3.960 0.025 0.000 0.215 215 G HA3 0.110 4.085 3.960 0.025 0.000 0.215 215 G C 0.749 175.643 174.900 -0.010 0.000 1.128 215 G CA 0.885 45.983 45.100 -0.003 0.000 0.774 215 G HN 1.170 nan 8.290 nan 0.000 0.543 216 D N 0.327 120.728 120.400 0.002 0.000 2.658 216 D HA -0.035 4.621 4.640 0.025 0.000 0.230 216 D C 1.603 177.906 176.300 0.006 0.000 1.118 216 D CA -0.037 53.968 54.000 0.009 0.000 0.848 216 D CB 1.014 41.845 40.800 0.052 0.000 1.160 216 D HN -0.052 nan 8.370 nan 0.000 0.497 217 V N 4.690 124.575 119.914 -0.049 0.000 2.324 217 V HA -0.300 3.835 4.120 0.025 0.000 0.250 217 V C 1.833 177.899 176.094 -0.046 0.000 1.060 217 V CA 1.760 64.016 62.300 -0.073 0.000 1.042 217 V CB -0.941 30.791 31.823 -0.153 0.000 0.650 217 V HN 0.690 nan 8.190 nan 0.000 0.450 218 Y N 0.019 120.358 120.300 0.064 0.000 2.439 218 Y HA -0.149 4.415 4.550 0.025 0.000 0.292 218 Y C 2.716 178.619 175.900 0.005 0.000 1.130 218 Y CA 0.926 59.046 58.100 0.033 0.000 1.254 218 Y CB 0.010 38.486 38.460 0.028 0.000 1.000 218 Y HN 0.231 nan 8.280 nan 0.000 0.554 219 S N 0.056 115.847 115.700 0.152 0.000 2.348 219 S HA -0.171 4.314 4.470 0.025 0.000 0.219 219 S C 1.953 176.589 174.600 0.060 0.000 1.033 219 S CA 1.177 59.428 58.200 0.085 0.000 0.974 219 S CB -0.356 62.882 63.200 0.064 0.000 0.868 219 S HN 0.373 nan 8.310 nan 0.000 0.459 220 M N 1.047 120.677 119.600 0.050 0.000 2.073 220 M HA -0.137 4.358 4.480 0.025 0.000 0.258 220 M C 2.270 178.594 176.300 0.040 0.000 1.070 220 M CA 1.509 56.831 55.300 0.037 0.000 1.103 220 M CB -0.590 32.029 32.600 0.032 0.000 1.321 220 M HN 0.258 nan 8.290 nan 0.000 0.405 221 L N -0.134 121.122 121.223 0.056 0.000 1.976 221 L HA -0.149 4.206 4.340 0.025 0.000 0.209 221 L C 2.471 179.371 176.870 0.049 0.000 1.071 221 L CA 1.736 56.611 54.840 0.058 0.000 0.746 221 L CB -0.851 41.262 42.059 0.090 0.000 0.890 221 L HN 0.404 nan 8.230 nan 0.000 0.432 222 G N -1.381 107.455 108.800 0.061 0.000 2.479 222 G HA2 -0.228 3.747 3.960 0.025 0.000 0.220 222 G HA3 -0.228 3.747 3.960 0.025 0.000 0.220 222 G C 1.465 176.373 174.900 0.014 0.000 1.115 222 G CA 0.744 45.860 45.100 0.026 0.000 0.757 222 G HN 0.575 nan 8.290 nan 0.000 0.560 223 A N 0.527 123.359 122.820 0.020 0.000 2.030 223 A HA 0.581 4.916 4.320 0.025 0.000 0.215 223 A C 2.648 180.238 177.584 0.010 0.000 1.164 223 A CA 1.465 53.510 52.037 0.013 0.000 0.697 223 A CB -0.323 18.686 19.000 0.016 0.000 0.827 223 A HN 0.552 nan 8.150 nan 0.000 0.457 224 A N -0.262 122.567 122.820 0.014 0.000 1.968 224 A HA 0.080 4.415 4.320 0.025 0.000 0.217 224 A C 2.041 179.629 177.584 0.006 0.000 1.169 224 A CA 1.582 53.625 52.037 0.010 0.000 0.638 224 A CB -0.653 18.354 19.000 0.013 0.000 0.812 224 A HN 0.369 nan 8.150 nan 0.000 0.446 225 V N -0.061 119.856 119.914 0.006 0.000 2.667 225 V HA -0.107 4.028 4.120 0.025 0.000 0.252 225 V C 2.712 178.803 176.094 -0.004 0.000 1.065 225 V CA 1.506 63.806 62.300 -0.001 0.000 1.083 225 V CB -1.426 30.395 31.823 -0.004 0.000 0.692 225 V HN 0.566 nan 8.190 nan 0.000 0.468 226 G N 0.732 109.531 108.800 -0.002 0.000 2.433 226 G HA2 -0.238 3.737 3.960 0.025 0.000 0.216 226 G HA3 -0.238 3.737 3.960 0.025 0.000 0.216 226 G C 1.636 176.535 174.900 -0.003 0.000 1.186 226 G CA 0.484 45.581 45.100 -0.004 0.000 0.779 226 G HN 0.477 nan 8.290 nan 0.000 0.543 227 R N 0.374 120.873 120.500 -0.000 0.000 2.323 227 R HA 0.242 4.597 4.340 0.025 0.000 0.198 227 R C 1.800 178.099 176.300 -0.001 0.000 0.988 227 R CA 0.435 56.535 56.100 -0.000 0.000 1.041 227 R CB -0.068 30.233 30.300 0.002 0.000 0.926 227 R HN 0.395 nan 8.270 nan 0.000 0.476 228 G N 1.373 110.172 108.800 -0.002 0.000 2.180 228 G HA2 -0.355 3.620 3.960 0.025 0.000 0.263 228 G HA3 -0.355 3.620 3.960 0.025 0.000 0.263 228 G C 0.571 175.470 174.900 -0.001 0.000 0.989 228 G CA 0.724 45.823 45.100 -0.002 0.000 0.692 228 G HN 0.496 nan 8.290 nan 0.000 0.526 229 E N -0.889 119.311 120.200 0.000 0.000 2.418 229 E HA 0.166 4.532 4.350 0.025 0.000 0.197 229 E C 1.981 178.581 176.600 0.000 0.000 1.026 229 E CA 1.260 57.661 56.400 0.001 0.000 0.862 229 E CB 0.089 29.790 29.700 0.002 0.000 0.799 229 E HN 1.138 nan 8.360 nan 0.000 0.518 230 V N -4.689 115.225 119.914 -0.000 0.000 3.663 230 V HA 0.327 4.462 4.120 0.025 0.000 0.353 230 V C 0.607 176.699 176.094 -0.002 0.000 1.551 230 V CA -0.281 62.018 62.300 -0.001 0.000 1.331 230 V CB -0.154 31.668 31.823 -0.001 0.000 1.059 230 V HN 0.063 nan 8.190 nan 0.000 0.502 231 G N 1.381 110.179 108.800 -0.003 0.000 2.983 231 G HA2 -0.060 3.915 3.960 0.025 0.000 0.234 231 G HA3 -0.060 3.915 3.960 0.025 0.000 0.234 231 G C 0.308 175.203 174.900 -0.009 0.000 0.734 231 G CA 0.877 45.973 45.100 -0.006 0.000 1.049 231 G HN 0.614 nan 8.290 nan 0.000 0.348 232 E N -0.153 120.039 120.200 -0.013 0.000 2.651 232 E HA -0.125 4.241 4.350 0.025 0.000 0.272 232 E C 1.899 178.486 176.600 -0.021 0.000 1.382 232 E CA 2.162 58.550 56.400 -0.019 0.000 1.231 232 E CB -0.027 29.659 29.700 -0.025 0.000 0.989 232 E HN 1.561 nan 8.360 nan 0.000 0.504 233 T N -2.690 111.846 114.554 -0.029 0.000 8.285 233 T HA -0.292 4.073 4.350 0.025 0.000 0.317 233 T C 0.696 175.375 174.700 -0.035 0.000 2.029 233 T CA 2.206 64.285 62.100 -0.034 0.000 3.092 233 T CB -1.248 67.603 68.868 -0.028 0.000 2.254 233 T HN 0.637 nan 8.240 nan 0.000 1.172 234 E N -0.084 120.100 120.200 -0.027 0.000 2.474 234 E HA 0.529 4.894 4.350 0.025 0.000 0.215 234 E C 2.566 179.154 176.600 -0.021 0.000 0.867 234 E CA 0.365 56.752 56.400 -0.021 0.000 1.135 234 E CB 0.049 29.743 29.700 -0.010 0.000 1.147 234 E HN 0.632 nan 8.360 nan 0.000 0.534 235 A N 1.602 124.414 122.820 -0.014 0.000 1.849 235 A HA -0.164 4.171 4.320 0.025 0.000 0.217 235 A C 2.288 179.878 177.584 0.010 0.000 1.202 235 A CA 1.559 53.601 52.037 0.008 0.000 0.629 235 A CB -0.932 18.075 19.000 0.011 0.000 0.834 235 A HN 0.094 nan 8.150 nan 0.000 0.447 236 V N 0.056 119.954 119.914 -0.027 0.000 3.330 236 V HA -0.040 4.095 4.120 0.025 0.000 0.273 236 V C 2.153 178.140 176.094 -0.178 0.000 1.179 236 V CA 1.398 63.655 62.300 -0.071 0.000 1.174 236 V CB -1.153 30.596 31.823 -0.123 0.000 0.794 236 V HN 0.662 nan 8.190 nan 0.000 0.527 237 G N -1.229 107.504 108.800 -0.111 0.000 2.709 237 G HA2 0.079 4.054 3.960 0.025 0.000 0.208 237 G HA3 0.079 4.054 3.960 0.025 0.000 0.208 237 G C 1.306 176.177 174.900 -0.048 0.000 1.129 237 G CA 0.104 45.139 45.100 -0.109 0.000 0.793 237 G HN 0.420 nan 8.290 nan 0.000 0.524 238 L N 0.322 121.531 121.223 -0.023 0.000 2.130 238 L HA 0.292 4.647 4.340 0.025 0.000 0.200 238 L C 3.020 179.893 176.870 0.006 0.000 1.075 238 L CA 1.246 56.075 54.840 -0.017 0.000 0.768 238 L CB -0.050 41.998 42.059 -0.018 0.000 0.933 238 L HN 0.235 nan 8.230 nan 0.000 0.451 239 A N -0.207 122.645 122.820 0.053 0.000 1.968 239 A HA -0.017 4.318 4.320 0.025 0.000 0.217 239 A C 2.189 179.861 177.584 0.148 0.000 1.169 239 A CA 1.129 53.225 52.037 0.098 0.000 0.638 239 A CB -1.134 17.987 19.000 0.202 0.000 0.812 239 A HN 0.518 nan 8.150 nan 0.000 0.446 240 G N 0.943 109.828 108.800 0.142 0.000 2.681 240 G HA2 -0.284 3.691 3.960 0.025 0.000 0.220 240 G HA3 -0.284 3.691 3.960 0.025 0.000 0.220 240 G C -0.198 174.825 174.900 0.206 0.000 1.210 240 G CA 1.564 46.798 45.100 0.224 0.000 0.783 240 G HN 0.493 nan 8.290 nan 0.000 0.609 241 P HA -0.027 nan 4.420 nan 0.000 0.215 241 P C 2.112 179.450 177.300 0.063 0.000 1.153 241 P CA 0.754 63.901 63.100 0.078 0.000 0.853 241 P CB -0.159 31.556 31.700 0.025 0.000 0.788 242 L N -1.020 120.231 121.223 0.047 0.000 2.083 242 L HA -0.219 4.136 4.340 0.025 0.000 0.209 242 L C 2.737 179.674 176.870 0.111 0.000 1.083 242 L CA 1.433 56.306 54.840 0.055 0.000 0.752 242 L CB -0.840 41.251 42.059 0.053 0.000 0.899 242 L HN -0.002 nan 8.230 nan 0.000 0.433 243 Q N 0.495 120.368 119.800 0.122 0.000 2.046 243 Q HA -0.168 4.187 4.340 0.025 0.000 0.200 243 Q C 1.968 178.018 176.000 0.084 0.000 0.975 243 Q CA 1.644 57.523 55.803 0.125 0.000 0.836 243 Q CB 0.018 28.885 28.738 0.215 0.000 0.896 243 Q HN 0.319 nan 8.270 nan 0.000 0.428 244 I N 0.428 121.054 120.570 0.094 0.000 3.111 244 I HA 0.040 4.225 4.170 0.025 0.000 0.272 244 I C 2.035 178.180 176.117 0.047 0.000 1.268 244 I CA 1.054 62.391 61.300 0.063 0.000 1.467 244 I CB -1.720 36.331 38.000 0.084 0.000 1.087 244 I HN 0.381 nan 8.210 nan 0.000 0.467 245 G N 1.456 110.290 108.800 0.056 0.000 2.507 245 G HA2 -0.259 3.716 3.960 0.025 0.000 0.221 245 G HA3 -0.259 3.716 3.960 0.025 0.000 0.221 245 G C 1.759 176.680 174.900 0.037 0.000 1.119 245 G CA 0.896 46.029 45.100 0.054 0.000 0.751 245 G HN 0.457 nan 8.290 nan 0.000 0.574 246 G N 0.633 109.434 108.800 0.003 0.000 2.517 246 G HA2 -0.279 3.696 3.960 0.025 0.000 0.222 246 G HA3 -0.279 3.696 3.960 0.025 0.000 0.222 246 G C 1.433 176.301 174.900 -0.054 0.000 1.109 246 G CA 1.255 46.329 45.100 -0.043 0.000 0.746 246 G HN 0.618 nan 8.290 nan 0.000 0.576 247 E N 0.649 120.822 120.200 -0.045 0.000 2.114 247 E HA -0.196 4.169 4.350 0.025 0.000 0.199 247 E C 2.660 179.203 176.600 -0.096 0.000 1.008 247 E CA 1.367 57.709 56.400 -0.095 0.000 0.810 247 E CB -0.363 29.340 29.700 0.005 0.000 0.739 247 E HN 0.379 nan 8.360 nan 0.000 0.456 248 A N 0.544 123.406 122.820 0.070 0.000 1.902 248 A HA -0.131 4.204 4.320 0.025 0.000 0.217 248 A C 2.439 180.132 177.584 0.182 0.000 1.181 248 A CA 1.561 53.730 52.037 0.220 0.000 0.623 248 A CB -0.638 18.523 19.000 0.267 0.000 0.818 248 A HN 0.243 nan 8.150 nan 0.000 0.443 249 V N -0.220 119.738 119.914 0.073 0.000 2.407 249 V HA -0.209 3.926 4.120 0.025 0.000 0.248 249 V C 2.645 178.763 176.094 0.039 0.000 1.055 249 V CA 2.352 64.691 62.300 0.065 0.000 1.049 249 V CB -1.280 30.561 31.823 0.030 0.000 0.662 249 V HN 0.595 nan 8.190 nan 0.000 0.455 250 T N -1.107 113.404 114.554 -0.070 0.000 2.849 250 T HA -0.172 4.193 4.350 0.025 0.000 0.270 250 T C 1.666 176.279 174.700 -0.145 0.000 1.066 250 T CA 1.501 63.510 62.100 -0.153 0.000 1.130 250 T CB -0.263 68.412 68.868 -0.322 0.000 0.864 250 T HN 0.584 nan 8.240 nan 0.000 0.481 251 H N -0.389 118.728 119.070 0.079 0.000 2.506 251 H HA 0.271 4.842 4.556 0.026 0.000 0.289 251 H C 2.286 177.685 175.328 0.119 0.000 1.009 251 H CA 0.521 56.604 56.048 0.060 0.000 1.303 251 H CB -0.337 29.433 29.762 0.013 0.000 1.453 251 H HN 0.270 nan 8.280 nan 0.000 0.526 252 N N 0.961 119.845 118.700 0.308 0.000 2.106 252 N HA -0.114 4.641 4.740 0.025 0.000 0.188 252 N C 1.775 177.397 175.510 0.187 0.000 1.029 252 N CA 1.247 54.462 53.050 0.275 0.000 0.848 252 N CB 0.001 38.609 38.487 0.201 0.000 1.007 252 N HN -0.056 nan 8.380 nan 0.000 0.423 253 V N -0.070 119.932 119.914 0.148 0.000 2.626 253 V HA -0.017 4.118 4.120 0.025 0.000 0.252 253 V C 2.301 178.469 176.094 0.124 0.000 1.067 253 V CA 1.662 64.037 62.300 0.125 0.000 1.081 253 V CB -1.198 30.693 31.823 0.114 0.000 0.686 253 V HN 0.471 nan 8.190 nan 0.000 0.468 254 G N -0.787 108.086 108.800 0.122 0.000 2.432 254 G HA2 -0.227 3.748 3.960 0.025 0.000 0.219 254 G HA3 -0.227 3.748 3.960 0.025 0.000 0.219 254 G C 1.521 176.499 174.900 0.130 0.000 1.135 254 G CA 0.580 45.736 45.100 0.094 0.000 0.767 254 G HN 0.540 nan 8.290 nan 0.000 0.550 255 Q N -0.553 119.361 119.800 0.190 0.000 2.123 255 Q HA 0.108 4.464 4.340 0.025 0.000 0.196 255 Q C 2.749 178.928 176.000 0.299 0.000 0.958 255 Q CA 0.670 56.652 55.803 0.298 0.000 0.841 255 Q CB -0.189 28.753 28.738 0.340 0.000 0.915 255 Q HN 0.476 nan 8.270 nan 0.000 0.455 256 M N 0.598 120.325 119.600 0.211 0.000 2.080 256 M HA -0.213 4.283 4.480 0.025 0.000 0.260 256 M C 2.246 178.629 176.300 0.138 0.000 1.068 256 M CA 1.562 56.957 55.300 0.158 0.000 1.109 256 M CB -0.563 32.106 32.600 0.115 0.000 1.342 256 M HN 0.211 nan 8.290 nan 0.000 0.405 257 L N -1.225 120.078 121.223 0.133 0.000 2.017 257 L HA -0.247 4.108 4.340 0.025 0.000 0.208 257 L C 2.683 179.627 176.870 0.125 0.000 1.073 257 L CA 1.620 56.520 54.840 0.101 0.000 0.745 257 L CB -0.931 41.180 42.059 0.086 0.000 0.894 257 L HN 0.238 nan 8.230 nan 0.000 0.432 258 Y N 0.745 121.093 120.300 0.080 0.000 2.114 258 Y HA -0.298 4.268 4.550 0.027 0.000 0.282 258 Y C 2.382 178.362 175.900 0.133 0.000 1.165 258 Y CA 1.691 59.859 58.100 0.114 0.000 1.148 258 Y CB -0.211 38.358 38.460 0.182 0.000 0.972 258 Y HN 0.003 nan 8.280 nan 0.000 0.504 259 L N -1.176 120.175 121.223 0.213 0.000 2.017 259 L HA -0.250 4.105 4.340 0.025 0.000 0.208 259 L C 2.345 179.179 176.870 -0.059 0.000 1.073 259 L CA 0.866 55.741 54.840 0.059 0.000 0.745 259 L CB -0.762 41.342 42.059 0.076 0.000 0.894 259 L HN 0.240 nan 8.230 nan 0.000 0.432 260 L N -0.346 120.864 121.223 -0.021 0.000 2.043 260 L HA -0.244 4.111 4.340 0.025 0.000 0.212 260 L C 2.281 179.111 176.870 -0.067 0.000 1.075 260 L CA 1.811 56.628 54.840 -0.038 0.000 0.752 260 L CB -0.747 41.307 42.059 -0.008 0.000 0.891 260 L HN 0.199 nan 8.230 nan 0.000 0.432 261 L N -1.203 119.967 121.223 -0.089 0.000 2.552 261 L HA -0.065 4.290 4.340 0.025 0.000 0.227 261 L C 1.565 178.328 176.870 -0.178 0.000 1.146 261 L CA 1.163 55.936 54.840 -0.112 0.000 0.858 261 L CB -0.671 41.334 42.059 -0.089 0.000 0.969 261 L HN 0.496 nan 8.230 nan 0.000 0.451 262 T N -5.073 109.335 114.554 -0.242 0.000 3.058 262 T HA 0.187 4.552 4.350 0.025 0.000 0.278 262 T C 0.807 175.429 174.700 -0.131 0.000 0.974 262 T CA -0.438 61.524 62.100 -0.230 0.000 0.893 262 T CB 0.318 68.943 68.868 -0.405 0.000 1.138 262 T HN 0.096 nan 8.240 nan 0.000 0.529 263 R N 1.377 121.810 120.500 -0.112 0.000 2.443 263 R HA 0.443 4.798 4.340 0.025 0.000 0.287 263 R C 0.813 177.073 176.300 -0.067 0.000 1.425 263 R CA -0.527 55.523 56.100 -0.082 0.000 1.300 263 R CB 0.913 31.154 30.300 -0.097 0.000 1.129 263 R HN 0.096 nan 8.270 nan 0.000 0.577 264 R N 1.548 122.018 120.500 -0.051 0.000 2.185 264 R HA -0.237 4.118 4.340 0.025 0.000 0.247 264 R C 0.885 177.163 176.300 -0.035 0.000 1.159 264 R CA 2.260 58.338 56.100 -0.037 0.000 0.988 264 R CB 0.276 30.560 30.300 -0.026 0.000 0.871 264 R HN 0.543 nan 8.270 nan 0.000 0.458 265 E N -0.062 120.113 120.200 -0.042 0.000 2.106 265 E HA -0.186 4.179 4.350 0.025 0.000 0.192 265 E C 1.900 178.473 176.600 -0.045 0.000 0.984 265 E CA 1.131 57.507 56.400 -0.040 0.000 0.806 265 E CB -0.335 29.338 29.700 -0.045 0.000 0.750 265 E HN 0.337 nan 8.360 nan 0.000 0.458 266 L N -0.303 120.885 121.223 -0.059 0.000 2.044 266 L HA -0.032 4.324 4.340 0.025 0.000 0.205 266 L C 2.578 179.425 176.870 -0.039 0.000 1.075 266 L CA 1.055 55.860 54.840 -0.059 0.000 0.747 266 L CB -0.370 41.640 42.059 -0.082 0.000 0.903 266 L HN 0.187 nan 8.230 nan 0.000 0.435 267 M N 0.504 120.082 119.600 -0.036 0.000 2.149 267 M HA -0.169 4.326 4.480 0.025 0.000 0.261 267 M C 2.274 178.564 176.300 -0.017 0.000 1.064 267 M CA 1.958 57.244 55.300 -0.025 0.000 1.102 267 M CB -0.474 32.110 32.600 -0.026 0.000 1.369 267 M HN 0.209 nan 8.290 nan 0.000 0.408 268 A N 0.331 123.140 122.820 -0.018 0.000 1.859 268 A HA -0.235 4.100 4.320 0.025 0.000 0.217 268 A C 2.331 179.910 177.584 -0.009 0.000 1.198 268 A CA 2.080 54.111 52.037 -0.011 0.000 0.629 268 A CB -0.818 18.175 19.000 -0.013 0.000 0.830 268 A HN 0.488 nan 8.150 nan 0.000 0.446 269 R N -1.408 119.085 120.500 -0.013 0.000 2.082 269 R HA -0.157 4.199 4.340 0.025 0.000 0.234 269 R C 2.133 178.431 176.300 -0.004 0.000 1.136 269 R CA 2.148 58.243 56.100 -0.009 0.000 0.935 269 R CB -0.971 29.321 30.300 -0.013 0.000 0.842 269 R HN 0.527 nan 8.270 nan 0.000 0.430 270 M N 0.396 119.992 119.600 -0.007 0.000 2.192 270 M HA -0.209 4.286 4.480 0.025 0.000 0.256 270 M C 2.032 178.332 176.300 -0.000 0.000 1.076 270 M CA 1.797 57.096 55.300 -0.002 0.000 1.075 270 M CB -0.128 32.469 32.600 -0.004 0.000 1.368 270 M HN 0.053 nan 8.290 nan 0.000 0.406 271 R N -1.524 118.975 120.500 -0.002 0.000 2.123 271 R HA 0.047 4.403 4.340 0.025 0.000 0.209 271 R C 1.634 177.936 176.300 0.004 0.000 1.078 271 R CA 0.444 56.544 56.100 0.001 0.000 1.028 271 R CB -0.029 30.272 30.300 0.002 0.000 0.939 271 R HN 0.212 nan 8.270 nan 0.000 0.463 272 E N 1.396 121.598 120.200 0.003 0.000 2.510 272 E HA -0.124 4.241 4.350 0.025 0.000 0.202 272 E C -0.120 176.483 176.600 0.005 0.000 1.072 272 E CA 0.760 57.163 56.400 0.004 0.000 0.883 272 E CB 0.059 29.761 29.700 0.003 0.000 0.818 272 E HN 0.364 nan 8.360 nan 0.000 0.548 273 R N -1.454 119.049 120.500 0.005 0.000 3.021 273 R HA 0.292 4.648 4.340 0.025 0.000 0.206 273 R C -2.996 173.308 176.300 0.008 0.000 1.593 273 R CA -1.121 54.983 56.100 0.007 0.000 1.243 273 R CB -0.061 30.243 30.300 0.007 0.000 1.573 273 R HN -0.190 nan 8.270 nan 0.000 0.640 274 P HA 0.159 nan 4.420 nan 0.000 0.275 274 P C 0.410 177.717 177.300 0.011 0.000 1.270 274 P CA 0.582 63.687 63.100 0.008 0.000 0.791 274 P CB 0.479 32.182 31.700 0.005 0.000 1.089 275 G N -0.504 108.304 108.800 0.013 0.000 2.370 275 G HA2 0.042 4.018 3.960 0.025 0.000 0.293 275 G HA3 0.042 4.018 3.960 0.025 0.000 0.293 275 G C 0.480 175.391 174.900 0.018 0.000 0.992 275 G CA 0.365 45.474 45.100 0.016 0.000 1.247 275 G HN 0.825 nan 8.290 nan 0.000 0.505 276 A N -0.411 122.422 122.820 0.021 0.000 2.399 276 A HA 0.179 4.515 4.320 0.025 0.000 0.218 276 A C 1.565 179.166 177.584 0.028 0.000 2.864 276 A CA 0.754 52.805 52.037 0.024 0.000 1.547 276 A CB -0.249 18.762 19.000 0.019 0.000 0.283 276 A HN 0.486 nan 8.150 nan 0.000 0.542 277 R N 0.570 121.087 120.500 0.028 0.000 2.323 277 R HA 0.042 4.397 4.340 0.025 0.000 0.198 277 R C 2.055 178.382 176.300 0.046 0.000 0.988 277 R CA 0.753 56.873 56.100 0.032 0.000 1.041 277 R CB -0.062 30.256 30.300 0.029 0.000 0.926 277 R HN 0.502 nan 8.270 nan 0.000 0.476 278 G N 1.283 110.112 108.800 0.049 0.000 2.421 278 G HA2 -0.309 3.666 3.960 0.025 0.000 0.216 278 G HA3 -0.309 3.666 3.960 0.025 0.000 0.216 278 G C 1.596 176.543 174.900 0.078 0.000 1.171 278 G CA 1.477 46.615 45.100 0.063 0.000 0.775 278 G HN 0.409 nan 8.290 nan 0.000 0.543 279 T N -1.175 113.420 114.554 0.069 0.000 2.942 279 T HA 0.357 4.723 4.350 0.025 0.000 0.265 279 T C 2.551 177.295 174.700 0.074 0.000 1.062 279 T CA 1.407 63.556 62.100 0.082 0.000 1.139 279 T CB -0.172 68.738 68.868 0.070 0.000 0.883 279 T HN 0.315 nan 8.240 nan 0.000 0.468 280 A N 1.866 124.718 122.820 0.053 0.000 1.902 280 A HA 0.173 4.508 4.320 0.025 0.000 0.217 280 A C 2.400 180.011 177.584 0.045 0.000 1.181 280 A CA 1.217 53.276 52.037 0.037 0.000 0.623 280 A CB -0.944 18.070 19.000 0.024 0.000 0.818 280 A HN 0.530 nan 8.150 nan 0.000 0.443 281 L N -0.632 120.627 121.223 0.061 0.000 2.275 281 L HA -0.139 4.216 4.340 0.025 0.000 0.215 281 L C 1.811 178.730 176.870 0.082 0.000 1.119 281 L CA 1.034 55.917 54.840 0.071 0.000 0.790 281 L CB -0.482 41.628 42.059 0.085 0.000 0.919 281 L HN 0.375 nan 8.230 nan 0.000 0.443 282 D N -0.266 120.198 120.400 0.108 0.000 2.123 282 D HA -0.178 4.477 4.640 0.025 0.000 0.200 282 D C 1.986 178.319 176.300 0.054 0.000 0.976 282 D CA 0.905 54.993 54.000 0.147 0.000 0.831 282 D CB 0.240 41.176 40.800 0.227 0.000 0.974 282 D HN 0.202 nan 8.370 nan 0.000 0.469 283 E N 1.191 121.428 120.200 0.061 0.000 2.031 283 E HA -0.116 4.249 4.350 0.025 0.000 0.193 283 E C 2.345 178.963 176.600 0.031 0.000 0.994 283 E CA 0.760 57.185 56.400 0.041 0.000 0.800 283 E CB -0.482 29.235 29.700 0.029 0.000 0.752 283 E HN 0.198 nan 8.360 nan 0.000 0.447 284 L N 0.024 121.264 121.223 0.029 0.000 2.013 284 L HA -0.230 4.125 4.340 0.025 0.000 0.212 284 L C 2.702 179.604 176.870 0.055 0.000 1.073 284 L CA 1.316 56.197 54.840 0.068 0.000 0.753 284 L CB -0.571 41.525 42.059 0.061 0.000 0.890 284 L HN 0.267 nan 8.230 nan 0.000 0.432 285 L N -0.343 120.840 121.223 -0.066 0.000 2.013 285 L HA -0.297 4.059 4.340 0.025 0.000 0.212 285 L C 2.955 179.595 176.870 -0.383 0.000 1.073 285 L CA 1.557 56.251 54.840 -0.243 0.000 0.753 285 L CB -0.362 41.494 42.059 -0.338 0.000 0.890 285 L HN 0.302 nan 8.230 nan 0.000 0.432 286 R N -0.967 119.278 120.500 -0.424 0.000 2.062 286 R HA -0.254 4.101 4.340 0.025 0.000 0.231 286 R C 2.260 178.504 176.300 -0.093 0.000 1.136 286 R CA 2.023 57.926 56.100 -0.329 0.000 0.948 286 R CB -0.692 29.456 30.300 -0.254 0.000 0.845 286 R HN 0.411 nan 8.270 nan 0.000 0.430 287 W N 1.418 122.627 121.300 -0.152 0.000 2.363 287 W HA 0.042 4.718 4.660 0.027 0.000 0.296 287 W C 0.131 176.664 176.519 0.024 0.000 1.212 287 W CA 0.624 57.936 57.345 -0.055 0.000 1.260 287 W CB 0.025 29.462 29.460 -0.037 0.000 1.131 287 W HN -0.025 nan 8.180 nan 0.000 0.530 288 I N 2.139 122.872 120.570 0.272 0.000 2.683 288 I HA -0.120 4.065 4.170 0.025 0.000 0.286 288 I C 0.628 176.754 176.117 0.014 0.000 1.175 288 I CA 0.415 61.828 61.300 0.189 0.000 1.429 288 I CB 0.500 38.647 38.000 0.245 0.000 1.371 288 I HN -0.226 nan 8.210 nan 0.000 0.569 289 S N 5.640 121.305 115.700 -0.057 0.000 3.530 289 S HA 0.032 4.517 4.470 0.025 0.000 0.279 289 S C 0.949 175.547 174.600 -0.003 0.000 1.280 289 S CA -0.414 57.730 58.200 -0.092 0.000 0.946 289 S CB -0.335 62.730 63.200 -0.226 0.000 1.501 289 S HN 0.575 nan 8.310 nan 0.000 0.498 290 H N 3.726 122.764 119.070 -0.054 0.000 2.265 290 H HA -0.128 4.444 4.556 0.026 0.000 0.295 290 H C 1.147 176.450 175.328 -0.041 0.000 1.084 290 H CA 2.092 58.123 56.048 -0.028 0.000 1.261 290 H CB 0.255 29.991 29.762 -0.044 0.000 1.360 290 H HN 0.631 nan 8.280 nan 0.000 0.487 291 R N -0.964 119.476 120.500 -0.100 0.000 2.758 291 R HA 0.285 4.640 4.340 0.025 0.000 0.265 291 R C 1.209 177.399 176.300 -0.184 0.000 1.016 291 R CA 0.099 56.092 56.100 -0.178 0.000 1.040 291 R CB 0.601 30.837 30.300 -0.107 0.000 1.152 291 R HN 0.221 nan 8.270 nan 0.000 0.503 292 T N -2.754 111.672 114.554 -0.213 0.000 2.995 292 T HA -0.029 4.336 4.350 0.025 0.000 0.269 292 T C 1.095 175.577 174.700 -0.364 0.000 1.091 292 T CA 1.044 62.992 62.100 -0.254 0.000 1.128 292 T CB -0.013 68.713 68.868 -0.237 0.000 0.891 292 T HN 0.534 nan 8.240 nan 0.000 0.492 293 S N -0.339 115.122 115.700 -0.399 0.000 4.151 293 S HA 0.578 5.063 4.470 0.025 0.000 0.220 293 S C -1.267 173.083 174.600 -0.417 0.000 1.151 293 S CA -0.002 57.790 58.200 -0.679 0.000 1.347 293 S CB 0.742 63.354 63.200 -0.979 0.000 1.781 293 S HN 0.617 nan 8.310 nan 0.000 0.681 294 V N 1.437 121.061 119.914 -0.483 0.000 2.715 294 V HA 0.917 5.053 4.120 0.025 0.000 0.310 294 V C 1.108 177.054 176.094 -0.246 0.000 1.054 294 V CA -0.183 61.958 62.300 -0.265 0.000 0.928 294 V CB 0.708 32.333 31.823 -0.330 0.000 1.007 294 V HN 0.874 nan 8.190 nan 0.000 0.437 295 G N 2.542 111.319 108.800 -0.038 0.000 2.935 295 G HA2 0.393 4.368 3.960 0.025 0.000 0.157 295 G HA3 0.393 4.368 3.960 0.025 0.000 0.157 295 G C -0.143 174.879 174.900 0.203 0.000 1.712 295 G CA -0.548 44.581 45.100 0.047 0.000 1.071 295 G HN 0.601 nan 8.290 nan 0.000 0.539 296 L N 0.644 121.979 121.223 0.185 0.000 2.436 296 L HA 0.581 4.937 4.340 0.025 0.000 0.265 296 L C 1.026 177.990 176.870 0.156 0.000 1.168 296 L CA -0.071 54.891 54.840 0.203 0.000 0.815 296 L CB 0.918 43.025 42.059 0.080 0.000 1.109 296 L HN 0.573 nan 8.230 nan 0.000 0.462 297 A N 2.699 125.440 122.820 -0.132 0.000 2.298 297 A HA 0.859 5.194 4.320 0.025 0.000 0.302 297 A C -0.163 177.273 177.584 -0.246 0.000 1.177 297 A CA -0.525 51.167 52.037 -0.574 0.000 0.912 297 A CB 0.641 18.900 19.000 -1.234 0.000 1.331 297 A HN 0.686 nan 8.150 nan 0.000 0.504 298 R N -0.493 119.865 120.500 -0.237 0.000 2.686 298 R HA 0.495 4.850 4.340 0.025 0.000 0.283 298 R C -1.402 174.906 176.300 0.014 0.000 0.978 298 R CA -0.739 55.322 56.100 -0.063 0.000 0.897 298 R CB 1.654 31.909 30.300 -0.075 0.000 1.192 298 R HN 0.501 nan 8.270 nan 0.000 0.457 299 I N 2.186 122.818 120.570 0.103 0.000 2.353 299 I HA 0.269 4.454 4.170 0.025 0.000 0.293 299 I C 0.646 176.899 176.117 0.227 0.000 0.992 299 I CA -0.794 60.572 61.300 0.110 0.000 1.268 299 I CB 1.264 39.291 38.000 0.044 0.000 1.387 299 I HN 0.705 nan 8.210 nan 0.000 0.478 300 A N 7.030 129.985 122.820 0.225 0.000 2.491 300 A HA 0.323 4.659 4.320 0.025 0.000 0.261 300 A C 0.985 178.527 177.584 -0.071 0.000 1.101 300 A CA -0.109 51.966 52.037 0.062 0.000 0.772 300 A CB 0.033 19.107 19.000 0.122 0.000 1.043 300 A HN 0.820 nan 8.150 nan 0.000 0.501 301 L N 1.374 122.480 121.223 -0.196 0.000 2.509 301 L HA 0.125 4.481 4.340 0.025 0.000 0.222 301 L C 0.603 177.405 176.870 -0.115 0.000 1.123 301 L CA 0.846 55.614 54.840 -0.119 0.000 0.856 301 L CB -0.182 41.813 42.059 -0.107 0.000 0.985 301 L HN 0.965 nan 8.230 nan 0.000 0.456 302 E N -1.529 118.578 120.200 -0.155 0.000 2.705 302 E HA 0.110 4.475 4.350 0.025 0.000 0.373 302 E C -1.320 175.217 176.600 -0.104 0.000 1.071 302 E CA -0.661 55.675 56.400 -0.106 0.000 0.790 302 E CB -0.412 29.229 29.700 -0.099 0.000 1.478 302 E HN -0.081 nan 8.360 nan 0.000 0.391 303 D N 0.484 120.842 120.400 -0.070 0.000 3.688 303 D HA -0.156 4.500 4.640 0.025 0.000 0.214 303 D C -0.665 175.591 176.300 -0.074 0.000 1.071 303 D CA 0.912 54.885 54.000 -0.045 0.000 1.124 303 D CB -0.141 40.647 40.800 -0.019 0.000 0.760 303 D HN 0.308 nan 8.370 nan 0.000 0.383 304 V N 1.767 121.635 119.914 -0.078 0.000 2.667 304 V HA 0.368 4.503 4.120 0.025 0.000 0.308 304 V C 1.015 177.090 176.094 -0.032 0.000 1.048 304 V CA -0.680 61.580 62.300 -0.067 0.000 0.928 304 V CB 2.015 33.790 31.823 -0.079 0.000 1.004 304 V HN 0.424 nan 8.190 nan 0.000 0.444 305 E N 2.074 122.263 120.200 -0.019 0.000 2.336 305 E HA 0.220 4.585 4.350 0.025 0.000 0.214 305 E C -0.286 176.307 176.600 -0.012 0.000 1.144 305 E CA -0.165 56.223 56.400 -0.021 0.000 1.294 305 E CB 0.031 29.727 29.700 -0.008 0.000 1.263 305 E HN 0.502 nan 8.360 nan 0.000 0.439 306 V N 2.785 122.689 119.914 -0.016 0.000 2.703 306 V HA -0.224 3.912 4.120 0.025 0.000 0.300 306 V C 0.649 176.764 176.094 0.034 0.000 1.063 306 V CA 1.556 63.855 62.300 -0.002 0.000 1.240 306 V CB -0.956 30.834 31.823 -0.054 0.000 0.845 306 V HN 0.753 nan 8.190 nan 0.000 0.476 307 H N 3.614 122.655 119.070 -0.048 0.000 2.415 307 H HA -0.210 4.361 4.556 0.025 0.000 0.323 307 H C 1.277 176.578 175.328 -0.046 0.000 1.035 307 H CA 0.254 56.279 56.048 -0.038 0.000 1.098 307 H CB -0.864 28.878 29.762 -0.033 0.000 1.575 307 H HN 1.451 nan 8.280 nan 0.000 0.387 308 G N 2.038 110.911 108.800 0.121 0.000 2.350 308 G HA2 -0.251 3.724 3.960 0.025 0.000 0.298 308 G HA3 -0.251 3.724 3.960 0.025 0.000 0.298 308 G C -0.176 174.714 174.900 -0.015 0.000 1.037 308 G CA 0.729 45.858 45.100 0.047 0.000 1.074 308 G HN 0.705 nan 8.290 nan 0.000 0.511 309 T N -0.104 114.419 114.554 -0.051 0.000 3.395 309 T HA 0.296 4.662 4.350 0.025 0.000 0.330 309 T C -0.076 174.543 174.700 -0.135 0.000 1.076 309 T CA -0.843 61.189 62.100 -0.113 0.000 1.070 309 T CB 1.416 70.144 68.868 -0.233 0.000 1.119 309 T HN 0.438 nan 8.240 nan 0.000 0.462 310 R N 4.018 124.481 120.500 -0.062 0.000 2.387 310 R HA 0.263 4.618 4.340 0.025 0.000 0.321 310 R C -0.343 175.947 176.300 -0.017 0.000 1.174 310 R CA -0.178 55.907 56.100 -0.026 0.000 1.002 310 R CB -0.308 30.007 30.300 0.026 0.000 1.028 310 R HN 0.704 nan 8.270 nan 0.000 0.482 311 I N 3.924 124.439 120.570 -0.091 0.000 2.352 311 I HA 0.204 4.390 4.170 0.025 0.000 0.290 311 I C 0.059 176.224 176.117 0.079 0.000 1.036 311 I CA -0.259 61.016 61.300 -0.041 0.000 1.336 311 I CB 1.111 38.984 38.000 -0.210 0.000 1.407 311 I HN 0.652 nan 8.210 nan 0.000 0.497 312 A N 6.115 129.042 122.820 0.178 0.000 2.313 312 A HA 0.673 5.008 4.320 0.025 0.000 0.261 312 A C 0.399 178.031 177.584 0.081 0.000 1.090 312 A CA -0.050 52.057 52.037 0.117 0.000 0.807 312 A CB 0.417 19.502 19.000 0.141 0.000 1.055 312 A HN 0.941 nan 8.150 nan 0.000 0.492 313 A N -0.791 122.050 122.820 0.035 0.000 2.406 313 A HA 0.498 4.833 4.320 0.025 0.000 0.243 313 A C 1.683 179.280 177.584 0.023 0.000 1.082 313 A CA 0.737 52.778 52.037 0.007 0.000 0.786 313 A CB -0.704 18.290 19.000 -0.010 0.000 1.029 313 A HN 2.730 nan 8.150 nan 0.000 0.495 314 G N -0.312 108.493 108.800 0.009 0.000 2.377 314 G HA2 -0.254 3.721 3.960 0.025 0.000 0.250 314 G HA3 -0.254 3.721 3.960 0.025 0.000 0.250 314 G C 0.206 175.100 174.900 -0.011 0.000 1.039 314 G CA 0.694 45.793 45.100 -0.002 0.000 0.625 314 G HN 0.928 nan 8.290 nan 0.000 0.526 315 E N 2.603 122.821 120.200 0.030 0.000 2.360 315 E HA 0.360 4.725 4.350 0.025 0.000 0.269 315 E C -2.206 174.422 176.600 0.046 0.000 1.022 315 E CA -1.189 55.222 56.400 0.018 0.000 0.887 315 E CB 1.270 31.092 29.700 0.204 0.000 0.990 315 E HN 0.346 nan 8.360 nan 0.000 0.426 316 P HA 0.197 nan 4.420 nan 0.000 0.290 316 P C -1.022 176.270 177.300 -0.014 0.000 1.275 316 P CA -0.416 62.623 63.100 -0.101 0.000 0.841 316 P CB 1.591 33.146 31.700 -0.243 0.000 1.042 317 V N 3.766 123.633 119.914 -0.079 0.000 2.925 317 V HA 0.512 4.647 4.120 0.025 0.000 0.311 317 V C -1.453 174.518 176.094 -0.205 0.000 1.104 317 V CA -0.777 61.519 62.300 -0.006 0.000 0.954 317 V CB 1.795 33.611 31.823 -0.013 0.000 1.022 317 V HN 0.452 nan 8.190 nan 0.000 0.427 318 Y N 3.594 123.915 120.300 0.034 0.000 2.621 318 Y HA 0.826 5.389 4.550 0.021 0.000 0.334 318 Y C 0.032 175.890 175.900 -0.071 0.000 1.074 318 Y CA -0.631 57.460 58.100 -0.016 0.000 1.149 318 Y CB 2.387 40.879 38.460 0.054 0.000 1.302 318 Y HN 0.624 nan 8.280 nan 0.000 0.501 319 V N -1.066 118.898 119.914 0.084 0.000 2.841 319 V HA 0.600 4.735 4.120 0.025 0.000 0.310 319 V C -0.803 175.197 176.094 -0.157 0.000 1.090 319 V CA -0.887 61.332 62.300 -0.135 0.000 0.930 319 V CB 1.540 33.128 31.823 -0.392 0.000 1.014 319 V HN 0.646 nan 8.190 nan 0.000 0.425 320 S N 2.296 117.929 115.700 -0.112 0.000 2.505 320 S HA 0.492 4.977 4.470 0.025 0.000 0.280 320 S C 0.335 174.932 174.600 -0.005 0.000 1.197 320 S CA -0.509 57.683 58.200 -0.014 0.000 1.138 320 S CB 0.002 63.252 63.200 0.083 0.000 1.010 320 S HN 0.710 nan 8.310 nan 0.000 0.480 321 Y N 3.527 123.875 120.300 0.081 0.000 2.207 321 Y HA -0.169 4.396 4.550 0.025 0.000 0.287 321 Y C 2.091 178.052 175.900 0.103 0.000 1.156 321 Y CA 1.430 59.581 58.100 0.085 0.000 1.182 321 Y CB -0.207 38.285 38.460 0.053 0.000 0.979 321 Y HN 0.568 nan 8.280 nan 0.000 0.521 322 L N -0.480 120.883 121.223 0.233 0.000 1.997 322 L HA -0.355 4.000 4.340 0.025 0.000 0.216 322 L C 2.732 179.768 176.870 0.277 0.000 1.074 322 L CA 1.526 56.472 54.840 0.177 0.000 0.763 322 L CB -1.099 40.987 42.059 0.045 0.000 0.890 322 L HN 0.290 nan 8.230 nan 0.000 0.434 323 A N -0.301 122.685 122.820 0.276 0.000 1.898 323 A HA -0.093 4.242 4.320 0.025 0.000 0.216 323 A C 2.546 180.262 177.584 0.220 0.000 1.181 323 A CA 1.575 53.791 52.037 0.298 0.000 0.620 323 A CB -0.668 18.462 19.000 0.217 0.000 0.819 323 A HN 0.431 nan 8.150 nan 0.000 0.442 324 A N 0.581 123.541 122.820 0.232 0.000 1.917 324 A HA -0.232 4.103 4.320 0.025 0.000 0.219 324 A C 1.796 179.641 177.584 0.435 0.000 1.182 324 A CA 1.836 54.068 52.037 0.326 0.000 0.633 324 A CB -0.691 18.490 19.000 0.302 0.000 0.819 324 A HN 0.536 nan 8.150 nan 0.000 0.448 325 N N -0.494 118.375 118.700 0.282 0.000 2.520 325 N HA -0.071 4.685 4.740 0.025 0.000 0.185 325 N C 0.932 176.339 175.510 -0.170 0.000 1.068 325 N CA 0.595 53.658 53.050 0.022 0.000 0.911 325 N CB -0.123 38.329 38.487 -0.058 0.000 0.961 325 N HN 0.322 nan 8.380 nan 0.000 0.446 326 R N 0.465 120.992 120.500 0.045 0.000 2.468 326 R HA 0.109 4.464 4.340 0.025 0.000 0.280 326 R C -0.224 176.156 176.300 0.133 0.000 0.963 326 R CA -0.274 55.825 56.100 -0.002 0.000 1.083 326 R CB -0.328 29.875 30.300 -0.162 0.000 1.200 326 R HN 0.129 nan 8.270 nan 0.000 0.541 327 D N 2.455 123.025 120.400 0.283 0.000 2.389 327 D HA 0.013 4.668 4.640 0.025 0.000 0.263 327 D C -1.587 174.823 176.300 0.183 0.000 1.255 327 D CA -1.597 52.541 54.000 0.230 0.000 0.914 327 D CB 1.571 42.534 40.800 0.271 0.000 1.116 327 D HN -0.055 nan 8.370 nan 0.000 0.502 328 P HA -0.112 nan 4.420 nan 0.000 0.219 328 P C 0.740 178.049 177.300 0.016 0.000 1.146 328 P CA 0.738 63.877 63.100 0.064 0.000 0.808 328 P CB 0.390 32.113 31.700 0.039 0.000 0.779 329 D N -1.040 119.360 120.400 -0.001 0.000 2.117 329 D HA -0.082 4.573 4.640 0.025 0.000 0.198 329 D C 1.922 178.130 176.300 -0.154 0.000 0.982 329 D CA 1.210 55.182 54.000 -0.047 0.000 0.828 329 D CB -0.379 40.411 40.800 -0.017 0.000 0.967 329 D HN 0.062 nan 8.370 nan 0.000 0.464 330 V N -0.050 119.699 119.914 -0.275 0.000 2.500 330 V HA -0.049 4.086 4.120 0.025 0.000 0.243 330 V C 0.528 176.137 176.094 -0.810 0.000 1.039 330 V CA 0.862 62.752 62.300 -0.682 0.000 1.053 330 V CB -0.172 30.908 31.823 -1.238 0.000 0.695 330 V HN -0.007 nan 8.190 nan 0.000 0.463 331 F N 0.995 120.886 119.950 -0.098 0.000 2.359 331 F HA 0.501 5.043 4.527 0.026 0.000 0.370 331 F C -2.573 173.218 175.800 -0.016 0.000 1.077 331 F CA -2.930 55.047 58.000 -0.039 0.000 1.136 331 F CB 0.277 39.274 39.000 -0.005 0.000 1.387 331 F HN -0.024 nan 8.300 nan 0.000 0.468 332 P HA -0.059 nan 4.420 nan 0.000 0.262 332 P C 0.080 177.432 177.300 0.088 0.000 1.182 332 P CA 0.648 63.784 63.100 0.060 0.000 0.761 332 P CB 0.423 32.140 31.700 0.028 0.000 0.795 333 D N 3.603 124.042 120.400 0.066 0.000 2.705 333 D HA -0.138 4.517 4.640 0.025 0.000 0.240 333 D C -1.028 175.326 176.300 0.089 0.000 1.137 333 D CA 0.450 54.487 54.000 0.062 0.000 0.677 333 D CB -0.572 40.259 40.800 0.052 0.000 1.049 333 D HN 0.272 nan 8.370 nan 0.000 0.427 334 P HA -0.203 nan 4.420 nan 0.000 0.216 334 P C 0.954 178.307 177.300 0.088 0.000 1.154 334 P CA 1.376 64.535 63.100 0.098 0.000 0.865 334 P CB 0.161 31.897 31.700 0.060 0.000 0.789 335 D N -1.021 119.418 120.400 0.065 0.000 2.347 335 D HA -0.038 4.617 4.640 0.025 0.000 0.215 335 D C 1.298 177.771 176.300 0.288 0.000 0.976 335 D CA 0.445 54.532 54.000 0.145 0.000 0.884 335 D CB -0.372 40.454 40.800 0.043 0.000 0.915 335 D HN 0.273 nan 8.370 nan 0.000 0.526 336 R N 1.073 121.667 120.500 0.156 0.000 2.340 336 R HA 0.304 4.659 4.340 0.025 0.000 0.300 336 R C -0.105 176.195 176.300 0.001 0.000 1.069 336 R CA -0.396 55.745 56.100 0.068 0.000 0.984 336 R CB 0.545 30.865 30.300 0.034 0.000 1.003 336 R HN -0.116 nan 8.270 nan 0.000 0.459 337 I N 3.924 124.369 120.570 -0.208 0.000 2.496 337 I HA -0.033 4.152 4.170 0.025 0.000 0.285 337 I C 0.898 176.934 176.117 -0.134 0.000 1.080 337 I CA 0.356 61.468 61.300 -0.313 0.000 1.404 337 I CB 1.232 38.869 38.000 -0.605 0.000 1.403 337 I HN 0.797 nan 8.210 nan 0.000 0.539 338 D N 5.213 125.576 120.400 -0.062 0.000 2.482 338 D HA 0.078 4.733 4.640 0.025 0.000 0.251 338 D C 1.736 178.027 176.300 -0.015 0.000 1.073 338 D CA 0.381 54.368 54.000 -0.021 0.000 0.892 338 D CB 0.674 41.488 40.800 0.024 0.000 1.202 338 D HN 0.615 nan 8.370 nan 0.000 0.496 339 L N 0.228 121.445 121.223 -0.009 0.000 5.360 339 L HA -0.251 4.104 4.340 0.025 0.000 0.435 339 L C -0.058 176.826 176.870 0.025 0.000 0.974 339 L CA 1.537 56.379 54.840 0.004 0.000 1.285 339 L CB -1.116 40.934 42.059 -0.015 0.000 1.652 339 L HN 0.109 nan 8.230 nan 0.000 0.666 340 D N 0.024 120.441 120.400 0.029 0.000 2.571 340 D HA 0.194 4.850 4.640 0.025 0.000 0.239 340 D C 0.786 177.116 176.300 0.050 0.000 1.267 340 D CA -0.168 53.853 54.000 0.036 0.000 0.823 340 D CB 0.384 41.199 40.800 0.024 0.000 1.056 340 D HN 0.277 nan 8.370 nan 0.000 0.494 341 R N 2.027 122.569 120.500 0.071 0.000 2.756 341 R HA -0.016 4.339 4.340 0.025 0.000 0.264 341 R C 1.420 177.771 176.300 0.085 0.000 1.026 341 R CA 0.017 56.172 56.100 0.092 0.000 1.121 341 R CB 0.864 31.249 30.300 0.142 0.000 0.999 341 R HN 0.204 nan 8.270 nan 0.000 0.449 342 D N 3.543 123.988 120.400 0.075 0.000 1.434 342 D HA -0.121 4.535 4.640 0.025 0.000 0.279 342 D C -1.169 175.173 176.300 0.069 0.000 1.198 342 D CA 0.353 54.386 54.000 0.055 0.000 1.010 342 D CB -1.177 39.642 40.800 0.033 0.000 1.776 342 D HN 0.260 nan 8.370 nan 0.000 0.555 343 P HA 0.000 nan 4.420 nan 0.000 0.225 343 P C -0.330 177.043 177.300 0.122 0.000 1.156 343 P CA 0.829 63.971 63.100 0.069 0.000 0.787 343 P CB -0.228 31.496 31.700 0.040 0.000 0.802 344 N N -0.069 118.722 118.700 0.152 0.000 2.584 344 N HA -0.118 4.638 4.740 0.025 0.000 0.291 344 N C -2.070 173.647 175.510 0.345 0.000 1.203 344 N CA 0.112 53.352 53.050 0.316 0.000 0.735 344 N CB -0.698 37.987 38.487 0.329 0.000 0.936 344 N HN 0.144 nan 8.380 nan 0.000 0.549 345 P HA 0.076 nan 4.420 nan 0.000 0.218 345 P C -0.220 177.356 177.300 0.459 0.000 1.793 345 P CA -0.226 63.023 63.100 0.248 0.000 0.941 345 P CB -0.683 31.106 31.700 0.147 0.000 1.919 346 H N 0.105 119.461 119.070 0.476 0.000 2.767 346 H HA 0.155 4.726 4.556 0.025 0.000 0.380 346 H C 0.295 175.825 175.328 0.337 0.000 1.409 346 H CA -0.309 55.974 56.048 0.391 0.000 1.463 346 H CB 0.362 30.195 29.762 0.119 0.000 1.514 346 H HN 0.082 nan 8.280 nan 0.000 0.619 347 L N 0.584 122.082 121.223 0.458 0.000 3.289 347 L HA 0.371 4.726 4.340 0.025 0.000 0.291 347 L C 1.809 178.674 176.870 -0.007 0.000 1.279 347 L CA 0.189 55.153 54.840 0.207 0.000 1.025 347 L CB 0.183 42.392 42.059 0.249 0.000 1.413 347 L HN 0.888 nan 8.230 nan 0.000 0.593 348 A N -0.159 122.791 122.820 0.217 0.000 1.986 348 A HA -0.212 4.123 4.320 0.025 0.000 0.220 348 A C 1.566 178.825 177.584 -0.542 0.000 1.171 348 A CA 1.680 53.572 52.037 -0.242 0.000 0.640 348 A CB -0.598 18.136 19.000 -0.444 0.000 0.811 348 A HN 0.536 nan 8.150 nan 0.000 0.451 349 Y N -0.368 119.746 120.300 -0.310 0.000 2.462 349 Y HA 0.377 4.943 4.550 0.025 0.000 0.293 349 Y C 1.659 176.966 175.900 -0.988 0.000 1.195 349 Y CA 0.234 57.927 58.100 -0.677 0.000 1.276 349 Y CB -0.370 37.568 38.460 -0.870 0.000 1.082 349 Y HN 0.588 nan 8.280 nan 0.000 0.514 350 G N 0.783 109.068 108.800 -0.858 0.000 2.545 350 G HA2 -0.220 3.755 3.960 0.025 0.000 0.216 350 G HA3 -0.220 3.755 3.960 0.025 0.000 0.216 350 G C -1.118 173.561 174.900 -0.368 0.000 1.314 350 G CA -0.286 44.225 45.100 -0.981 0.000 0.906 350 G HN 0.368 nan 8.290 nan 0.000 0.563 351 N N -0.240 118.495 118.700 0.058 0.000 3.171 351 N HA 0.616 5.371 4.740 0.025 0.000 0.239 351 N C 0.087 175.739 175.510 0.236 0.000 1.275 351 N CA 1.293 54.496 53.050 0.256 0.000 0.920 351 N CB 1.395 40.039 38.487 0.261 0.000 1.554 351 N HN 2.779 nan 8.380 nan 0.000 0.504 352 G N 1.223 110.144 108.800 0.202 0.000 2.728 352 G HA2 -0.240 3.735 3.960 0.025 0.000 0.294 352 G HA3 -0.240 3.735 3.960 0.025 0.000 0.294 352 G C 0.545 175.521 174.900 0.127 0.000 1.342 352 G CA 0.199 45.392 45.100 0.156 0.000 0.866 352 G HN 1.010 nan 8.290 nan 0.000 0.534 353 H N 0.011 119.056 119.070 -0.042 0.000 2.570 353 H HA 0.024 4.596 4.556 0.026 0.000 0.280 353 H C 1.009 176.128 175.328 -0.348 0.000 1.038 353 H CA 1.501 57.430 56.048 -0.200 0.000 1.186 353 H CB -0.128 29.426 29.762 -0.347 0.000 1.339 353 H HN 0.586 nan 8.280 nan 0.000 0.615 354 H N -0.182 118.713 119.070 -0.292 0.000 2.487 354 H HA 0.080 4.652 4.556 0.027 0.000 0.290 354 H C -0.234 175.103 175.328 0.016 0.000 1.081 354 H CA -0.576 55.363 56.048 -0.182 0.000 1.116 354 H CB -0.346 29.267 29.762 -0.248 0.000 1.560 354 H HN 0.248 nan 8.280 nan 0.000 0.548 355 F N 1.244 121.209 119.950 0.026 0.000 2.545 355 F HA -0.002 4.541 4.527 0.027 0.000 0.348 355 F C 0.858 176.674 175.800 0.025 0.000 1.163 355 F CA -0.347 57.667 58.000 0.023 0.000 1.331 355 F CB 0.616 39.621 39.000 0.008 0.000 1.138 355 F HN 0.086 nan 8.300 nan 0.000 0.602 356 C N 6.256 125.206 119.300 -0.584 0.000 2.592 356 C HA 0.022 4.497 4.460 0.025 0.000 0.408 356 C C 1.678 176.709 174.990 0.069 0.000 1.436 356 C CA 0.440 59.320 59.018 -0.229 0.000 1.595 356 C CB -1.080 26.504 27.740 -0.259 0.000 2.487 356 C HN 1.022 nan 8.230 nan 0.000 0.610 357 T N 4.263 118.802 114.554 -0.025 0.000 2.915 357 T HA -0.014 4.351 4.350 0.025 0.000 0.269 357 T C 1.666 176.244 174.700 -0.204 0.000 1.071 357 T CA 1.649 63.659 62.100 -0.150 0.000 1.132 357 T CB -0.064 68.576 68.868 -0.379 0.000 0.878 357 T HN 0.961 nan 8.240 nan 0.000 0.479 358 G N 0.086 108.825 108.800 -0.101 0.000 3.126 358 G HA2 0.413 4.389 3.960 0.025 0.000 0.224 358 G HA3 0.413 4.389 3.960 0.025 0.000 0.224 358 G C 1.587 176.531 174.900 0.074 0.000 1.142 358 G CA 0.536 45.687 45.100 0.084 0.000 0.759 358 G HN 0.465 nan 8.290 nan 0.000 0.550 359 A N 0.658 123.457 122.820 -0.036 0.000 1.896 359 A HA -0.145 4.190 4.320 0.025 0.000 0.220 359 A C 2.540 179.940 177.584 -0.306 0.000 1.206 359 A CA 2.264 54.037 52.037 -0.440 0.000 0.647 359 A CB -0.744 17.848 19.000 -0.680 0.000 0.828 359 A HN 0.305 nan 8.150 nan 0.000 0.455 360 V N -0.606 119.249 119.914 -0.097 0.000 2.358 360 V HA -0.210 3.925 4.120 0.025 0.000 0.246 360 V C 2.490 178.593 176.094 0.016 0.000 1.047 360 V CA 1.929 64.206 62.300 -0.038 0.000 1.035 360 V CB -0.770 31.056 31.823 0.005 0.000 0.658 360 V HN 0.619 nan 8.190 nan 0.000 0.452 361 L N 0.767 122.034 121.223 0.073 0.000 2.141 361 L HA 0.016 4.371 4.340 0.025 0.000 0.209 361 L C 2.368 179.269 176.870 0.053 0.000 1.094 361 L CA 2.157 57.035 54.840 0.063 0.000 0.763 361 L CB -0.768 41.362 42.059 0.119 0.000 0.908 361 L HN 0.189 nan 8.230 nan 0.000 0.437 362 A N -0.120 122.746 122.820 0.078 0.000 1.898 362 A HA -0.217 4.118 4.320 0.025 0.000 0.216 362 A C 2.432 180.085 177.584 0.114 0.000 1.181 362 A CA 1.578 53.677 52.037 0.103 0.000 0.620 362 A CB -0.606 18.506 19.000 0.187 0.000 0.819 362 A HN 0.476 nan 8.150 nan 0.000 0.442 363 R N -0.561 120.002 120.500 0.105 0.000 2.091 363 R HA -0.108 4.248 4.340 0.025 0.000 0.238 363 R C 2.124 178.482 176.300 0.096 0.000 1.136 363 R CA 2.003 58.176 56.100 0.123 0.000 0.959 363 R CB -0.514 29.840 30.300 0.091 0.000 0.856 363 R HN 0.491 nan 8.270 nan 0.000 0.437 364 M N 0.391 120.032 119.600 0.068 0.000 2.117 364 M HA -0.194 4.301 4.480 0.025 0.000 0.262 364 M C 1.628 177.985 176.300 0.096 0.000 1.065 364 M CA 1.900 57.240 55.300 0.066 0.000 1.114 364 M CB -0.314 32.310 32.600 0.039 0.000 1.361 364 M HN 0.336 nan 8.290 nan 0.000 0.408 365 Q N -1.262 118.588 119.800 0.083 0.000 2.167 365 Q HA -0.120 4.235 4.340 0.025 0.000 0.202 365 Q C 1.797 177.924 176.000 0.211 0.000 0.970 365 Q CA 1.868 57.750 55.803 0.130 0.000 0.855 365 Q CB -0.128 28.583 28.738 -0.046 0.000 0.911 365 Q HN 0.498 nan 8.270 nan 0.000 0.438 366 T N 0.908 115.550 114.554 0.147 0.000 2.857 366 T HA -0.087 4.278 4.350 0.025 0.000 0.266 366 T C 1.373 176.145 174.700 0.120 0.000 1.048 366 T CA 0.921 63.105 62.100 0.139 0.000 1.139 366 T CB 0.009 68.956 68.868 0.131 0.000 0.874 366 T HN 0.303 nan 8.240 nan 0.000 0.455 367 E N 0.647 120.912 120.200 0.110 0.000 2.208 367 E HA 0.040 4.405 4.350 0.025 0.000 0.193 367 E C 2.078 178.723 176.600 0.075 0.000 0.988 367 E CA 0.550 57.001 56.400 0.084 0.000 0.828 367 E CB -0.043 29.701 29.700 0.075 0.000 0.763 367 E HN 0.435 nan 8.360 nan 0.000 0.478 368 L N 0.438 121.725 121.223 0.107 0.000 2.102 368 L HA -0.097 4.259 4.340 0.025 0.000 0.202 368 L C 2.434 179.318 176.870 0.023 0.000 1.076 368 L CA 0.572 55.460 54.840 0.081 0.000 0.761 368 L CB -0.363 41.794 42.059 0.164 0.000 0.921 368 L HN 0.149 nan 8.230 nan 0.000 0.444 369 L N -0.563 120.706 121.223 0.078 0.000 1.956 369 L HA -0.256 4.099 4.340 0.025 0.000 0.216 369 L C 2.572 179.435 176.870 -0.012 0.000 1.073 369 L CA 1.393 56.239 54.840 0.010 0.000 0.762 369 L CB -0.757 41.367 42.059 0.108 0.000 0.889 369 L HN 0.036 nan 8.230 nan 0.000 0.433 370 V N -0.304 119.625 119.914 0.025 0.000 2.252 370 V HA -0.346 3.789 4.120 0.025 0.000 0.249 370 V C 2.236 178.325 176.094 -0.009 0.000 1.056 370 V CA 2.104 64.412 62.300 0.013 0.000 1.022 370 V CB -0.601 31.242 31.823 0.034 0.000 0.641 370 V HN 0.474 nan 8.190 nan 0.000 0.445 371 D N -0.161 120.237 120.400 -0.003 0.000 2.092 371 D HA -0.145 4.511 4.640 0.025 0.000 0.193 371 D C 2.305 178.581 176.300 -0.040 0.000 0.994 371 D CA 2.110 56.102 54.000 -0.013 0.000 0.828 371 D CB -0.306 40.493 40.800 -0.002 0.000 0.963 371 D HN 0.425 nan 8.370 nan 0.000 0.450 372 T N 1.161 115.679 114.554 -0.060 0.000 2.777 372 T HA -0.030 4.335 4.350 0.025 0.000 0.266 372 T C 2.208 176.833 174.700 -0.125 0.000 1.040 372 T CA 0.379 62.421 62.100 -0.097 0.000 1.141 372 T CB -0.159 68.630 68.868 -0.132 0.000 0.868 372 T HN 0.097 nan 8.240 nan 0.000 0.444 373 L N 0.369 121.518 121.223 -0.123 0.000 2.093 373 L HA 0.030 4.385 4.340 0.025 0.000 0.208 373 L C 2.383 179.181 176.870 -0.121 0.000 1.085 373 L CA 1.001 55.754 54.840 -0.144 0.000 0.755 373 L CB -0.401 41.589 42.059 -0.116 0.000 0.904 373 L HN 0.270 nan 8.230 nan 0.000 0.435 374 L N -0.567 120.610 121.223 -0.077 0.000 2.217 374 L HA -0.177 4.178 4.340 0.025 0.000 0.211 374 L C 2.538 179.372 176.870 -0.061 0.000 1.107 374 L CA 0.883 55.688 54.840 -0.058 0.000 0.783 374 L CB -0.249 41.791 42.059 -0.032 0.000 0.919 374 L HN 0.371 nan 8.230 nan 0.000 0.442 375 E N 0.684 120.842 120.200 -0.070 0.000 2.011 375 E HA -0.176 4.189 4.350 0.025 0.000 0.191 375 E C 2.174 178.723 176.600 -0.084 0.000 0.980 375 E CA 0.744 57.106 56.400 -0.063 0.000 0.814 375 E CB 0.068 29.733 29.700 -0.059 0.000 0.775 375 E HN 0.341 nan 8.360 nan 0.000 0.454 376 R N -0.020 120.405 120.500 -0.124 0.000 2.235 376 R HA 0.085 4.441 4.340 0.025 0.000 0.213 376 R C 0.750 176.905 176.300 -0.242 0.000 1.059 376 R CA 0.331 56.334 56.100 -0.161 0.000 0.997 376 R CB 0.009 30.200 30.300 -0.183 0.000 0.884 376 R HN 0.234 nan 8.270 nan 0.000 0.462 377 L N 3.548 124.609 121.223 -0.270 0.000 2.589 377 L HA 0.290 4.645 4.340 0.025 0.000 0.244 377 L C -2.122 174.671 176.870 -0.129 0.000 1.159 377 L CA -2.011 52.606 54.840 -0.371 0.000 1.074 377 L CB 0.654 42.425 42.059 -0.481 0.000 1.391 377 L HN -0.182 nan 8.230 nan 0.000 0.423 378 P HA -0.086 nan 4.420 nan 0.000 0.261 378 P C 0.758 177.986 177.300 -0.120 0.000 1.173 378 P CA 0.775 63.885 63.100 0.018 0.000 0.760 378 P CB 0.681 32.467 31.700 0.143 0.000 0.783 379 G N 2.373 111.095 108.800 -0.129 0.000 2.393 379 G HA2 -0.246 3.730 3.960 0.025 0.000 0.299 379 G HA3 -0.246 3.730 3.960 0.025 0.000 0.299 379 G C -0.098 174.673 174.900 -0.215 0.000 0.990 379 G CA -0.137 44.799 45.100 -0.273 0.000 1.118 379 G HN 0.658 nan 8.290 nan 0.000 0.513 380 L N 0.707 121.894 121.223 -0.059 0.000 2.410 380 L HA 0.747 5.102 4.340 0.025 0.000 0.273 380 L C 0.619 177.498 176.870 0.016 0.000 1.144 380 L CA -0.123 54.736 54.840 0.033 0.000 0.863 380 L CB 0.327 42.398 42.059 0.020 0.000 1.140 380 L HN 0.716 nan 8.230 nan 0.000 0.463 381 R N 3.546 124.071 120.500 0.042 0.000 2.716 381 R HA 0.546 4.901 4.340 0.025 0.000 0.271 381 R C -1.439 174.876 176.300 0.024 0.000 1.028 381 R CA -1.106 55.003 56.100 0.015 0.000 0.883 381 R CB 0.573 30.869 30.300 -0.007 0.000 1.250 381 R HN 0.511 nan 8.270 nan 0.000 0.465 382 L N 1.372 122.599 121.223 0.007 0.000 2.525 382 L HA 0.126 4.481 4.340 0.025 0.000 0.278 382 L C 1.058 177.930 176.870 0.002 0.000 1.218 382 L CA 0.515 55.361 54.840 0.011 0.000 0.878 382 L CB 0.961 43.020 42.059 -0.001 0.000 1.127 382 L HN 1.051 nan 8.230 nan 0.000 0.492 383 A N 4.061 126.881 122.820 0.001 0.000 2.308 383 A HA 0.345 4.681 4.320 0.025 0.000 0.217 383 A C 0.230 177.808 177.584 -0.011 0.000 1.216 383 A CA 0.426 52.450 52.037 -0.022 0.000 0.864 383 A CB 0.024 18.998 19.000 -0.043 0.000 0.902 383 A HN 0.510 nan 8.150 nan 0.000 0.499 384 V N -5.155 114.764 119.914 0.007 0.000 3.167 384 V HA 0.699 4.835 4.120 0.025 0.000 0.310 384 V C -3.384 172.727 176.094 0.029 0.000 1.207 384 V CA -2.670 59.641 62.300 0.017 0.000 1.059 384 V CB 1.103 32.942 31.823 0.026 0.000 1.079 384 V HN -0.022 nan 8.190 nan 0.000 0.446 385 P HA 0.448 nan 4.420 nan 0.000 0.274 385 P C 0.699 178.046 177.300 0.078 0.000 1.237 385 P CA 0.371 63.499 63.100 0.045 0.000 0.793 385 P CB 1.051 32.778 31.700 0.044 0.000 0.977 386 A N 1.828 124.698 122.820 0.084 0.000 1.940 386 A HA -0.222 4.113 4.320 0.025 0.000 0.219 386 A C 1.509 179.227 177.584 0.223 0.000 1.176 386 A CA 1.734 53.862 52.037 0.152 0.000 0.631 386 A CB -1.100 17.971 19.000 0.119 0.000 0.814 386 A HN 0.624 nan 8.150 nan 0.000 0.446 387 E N 0.190 120.483 120.200 0.155 0.000 2.478 387 E HA -0.095 4.270 4.350 0.025 0.000 0.198 387 E C 1.691 178.374 176.600 0.138 0.000 1.046 387 E CA 0.723 57.211 56.400 0.147 0.000 0.870 387 E CB -0.098 29.660 29.700 0.097 0.000 0.818 387 E HN 0.564 nan 8.360 nan 0.000 0.527 388 Q N -0.087 119.790 119.800 0.128 0.000 2.354 388 Q HA 0.095 4.451 4.340 0.025 0.000 0.203 388 Q C 0.259 176.321 176.000 0.103 0.000 0.933 388 Q CA 0.231 56.092 55.803 0.097 0.000 0.901 388 Q CB 0.335 29.113 28.738 0.068 0.000 1.007 388 Q HN 0.184 nan 8.270 nan 0.000 0.495 389 V N 2.025 122.033 119.914 0.156 0.000 2.521 389 V HA 0.299 4.435 4.120 0.025 0.000 0.286 389 V C 0.301 176.444 176.094 0.081 0.000 1.034 389 V CA -0.388 61.967 62.300 0.091 0.000 1.045 389 V CB 0.662 32.586 31.823 0.168 0.000 0.974 389 V HN 0.148 nan 8.190 nan 0.000 0.480 390 A N 5.365 128.162 122.820 -0.038 0.000 2.282 390 A HA 0.811 5.147 4.320 0.025 0.000 0.319 390 A C -1.207 176.282 177.584 -0.159 0.000 1.121 390 A CA -0.557 51.510 52.037 0.049 0.000 0.836 390 A CB 0.713 19.733 19.000 0.034 0.000 1.146 390 A HN 0.786 nan 8.150 nan 0.000 0.494 391 W N 0.435 121.692 121.300 -0.072 0.000 2.689 391 W HA 0.590 5.264 4.660 0.023 0.000 0.340 391 W C 0.224 176.687 176.519 -0.093 0.000 1.060 391 W CA -0.632 56.652 57.345 -0.102 0.000 1.218 391 W CB 0.973 30.353 29.460 -0.134 0.000 1.410 391 W HN 0.657 nan 8.180 nan 0.000 0.528 392 R N 2.511 123.046 120.500 0.058 0.000 2.585 392 R HA 0.205 4.560 4.340 0.025 0.000 0.275 392 R C 0.101 176.404 176.300 0.005 0.000 1.018 392 R CA 0.041 56.129 56.100 -0.019 0.000 1.072 392 R CB 0.320 30.544 30.300 -0.128 0.000 0.953 392 R HN 0.375 nan 8.270 nan 0.000 0.419 393 R N 1.970 122.463 120.500 -0.011 0.000 2.732 393 R HA 0.231 4.586 4.340 0.025 0.000 0.278 393 R C -0.410 175.868 176.300 -0.037 0.000 0.976 393 R CA -1.098 54.992 56.100 -0.018 0.000 0.963 393 R CB 1.581 31.878 30.300 -0.005 0.000 1.150 393 R HN 0.520 nan 8.270 nan 0.000 0.478 394 K N 0.848 121.220 120.400 -0.047 0.000 4.405 394 K HA -0.229 4.106 4.320 0.025 0.000 0.287 394 K C -0.615 175.952 176.600 -0.054 0.000 0.905 394 K CA 1.079 57.337 56.287 -0.048 0.000 0.867 394 K CB -1.027 31.458 32.500 -0.026 0.000 1.652 394 K HN 0.790 nan 8.250 nan 0.000 0.435 395 T N -1.005 113.501 114.554 -0.080 0.000 2.830 395 T HA 0.440 4.805 4.350 0.025 0.000 0.322 395 T C 0.602 175.232 174.700 -0.116 0.000 1.501 395 T CA -0.799 61.250 62.100 -0.086 0.000 1.036 395 T CB 1.444 70.253 68.868 -0.098 0.000 1.379 395 T HN 0.118 nan 8.240 nan 0.000 0.493 396 M N 2.344 121.885 119.600 -0.100 0.000 2.065 396 M HA 0.303 4.799 4.480 0.025 0.000 0.259 396 M C 0.756 176.953 176.300 -0.171 0.000 1.069 396 M CA 1.656 56.887 55.300 -0.115 0.000 1.110 396 M CB -0.318 32.244 32.600 -0.063 0.000 1.328 396 M HN 0.560 nan 8.290 nan 0.000 0.405 397 I N 0.856 121.304 120.570 -0.203 0.000 2.342 397 I HA 0.136 4.321 4.170 0.025 0.000 0.291 397 I C 0.275 176.195 176.117 -0.329 0.000 1.010 397 I CA -0.486 60.618 61.300 -0.326 0.000 1.308 397 I CB 0.808 38.627 38.000 -0.302 0.000 1.400 397 I HN 0.111 nan 8.210 nan 0.000 0.488 398 R N 4.147 124.491 120.500 -0.261 0.000 2.539 398 R HA 0.666 5.021 4.340 0.025 0.000 0.275 398 R C 0.085 176.346 176.300 -0.064 0.000 1.077 398 R CA -0.276 55.750 56.100 -0.125 0.000 1.097 398 R CB 1.376 31.638 30.300 -0.064 0.000 1.018 398 R HN 0.920 nan 8.270 nan 0.000 0.483 399 G N 2.395 111.235 108.800 0.066 0.000 2.377 399 G HA2 0.225 4.200 3.960 0.025 0.000 0.297 399 G HA3 0.225 4.200 3.960 0.025 0.000 0.297 399 G C -3.170 171.554 174.900 -0.293 0.000 1.547 399 G CA -0.986 44.108 45.100 -0.010 0.000 0.833 399 G HN 0.231 nan 8.290 nan 0.000 0.583 400 P HA 0.258 nan 4.420 nan 0.000 0.271 400 P C 0.719 177.726 177.300 -0.487 0.000 1.216 400 P CA -0.275 62.132 63.100 -1.155 0.000 0.776 400 P CB 0.888 32.029 31.700 -0.932 0.000 0.881 401 R N 0.789 121.047 120.500 -0.403 0.000 2.153 401 R HA 0.054 4.409 4.340 0.025 0.000 0.218 401 R C 0.854 177.084 176.300 -0.118 0.000 1.072 401 R CA 1.199 57.193 56.100 -0.175 0.000 0.990 401 R CB -0.211 30.022 30.300 -0.112 0.000 0.889 401 R HN 0.655 nan 8.270 nan 0.000 0.452 402 T N -3.601 110.864 114.554 -0.148 0.000 2.739 402 T HA 0.477 4.842 4.350 0.025 0.000 0.303 402 T C -1.087 173.569 174.700 -0.074 0.000 1.389 402 T CA -0.852 61.204 62.100 -0.074 0.000 1.001 402 T CB 1.606 70.451 68.868 -0.038 0.000 1.436 402 T HN -0.053 nan 8.240 nan 0.000 0.500 403 L N 1.172 122.385 121.223 -0.017 0.000 2.563 403 L HA 0.396 4.752 4.340 0.025 0.000 0.259 403 L C -2.965 173.930 176.870 0.043 0.000 1.034 403 L CA -1.743 53.107 54.840 0.017 0.000 0.899 403 L CB 2.460 44.536 42.059 0.030 0.000 1.159 403 L HN 0.472 nan 8.230 nan 0.000 0.456 404 P HA 0.245 nan 4.420 nan 0.000 0.281 404 P C -0.789 176.542 177.300 0.051 0.000 1.286 404 P CA -0.135 62.989 63.100 0.039 0.000 0.772 404 P CB 0.779 32.490 31.700 0.018 0.000 0.862 405 C N 2.142 121.496 119.300 0.090 0.000 2.848 405 C HA 0.837 5.313 4.460 0.025 0.000 0.317 405 C C 0.398 175.428 174.990 0.066 0.000 1.260 405 C CA -0.106 58.984 59.018 0.121 0.000 1.656 405 C CB 2.241 30.108 27.740 0.212 0.000 2.174 405 C HN 0.479 nan 8.230 nan 0.000 0.479 406 T N -0.231 114.345 114.554 0.036 0.000 2.865 406 T HA 0.853 5.218 4.350 0.025 0.000 0.294 406 T C -2.249 172.467 174.700 0.027 0.000 1.119 406 T CA -0.291 61.660 62.100 -0.248 0.000 1.007 406 T CB 1.323 70.047 68.868 -0.239 0.000 1.225 406 T HN 1.126 nan 8.240 nan 0.000 0.515 407 W N 0.499 121.772 121.300 -0.044 0.000 3.161 407 W HA 0.532 5.207 4.660 0.025 0.000 0.314 407 W C -1.468 175.041 176.519 -0.017 0.000 1.245 407 W CA -0.977 56.298 57.345 -0.116 0.000 1.191 407 W CB -0.183 29.226 29.460 -0.085 0.000 1.392 407 W HN 0.625 nan 8.180 nan 0.000 0.568 408 H N 3.219 122.458 119.070 0.282 0.000 3.187 408 H HA 0.044 4.616 4.556 0.026 0.000 0.286 408 H C 0.211 175.704 175.328 0.274 0.000 0.944 408 H CA 1.053 57.215 56.048 0.191 0.000 1.429 408 H CB -0.198 29.646 29.762 0.137 0.000 1.483 408 H HN 0.489 nan 8.280 nan 0.000 0.555 409 H N 0.000 119.187 119.070 0.195 0.000 2.539 409 H HA 0.000 4.571 4.556 0.025 0.000 0.296 409 H CA 0.000 56.138 56.048 0.149 0.000 1.023 409 H CB 0.000 29.782 29.762 0.033 0.000 1.292 409 H HN 0.000 nan 8.280 nan 0.000 0.496