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 3ez3_1_A DATA FIRST_RESID 34 DATA SEQUENCE LAFFRNMYDK YRDAFLSHLN EYSLEEEIKE HISKYYKLLF DYNCLGGKNN DATA SEQUENCE RGILVILIYE YVKNRXINSS EWEKAACLAW CIEILQAAFL VADDIMDKGE DATA SEQUENCE MRRNKYCWYL LKDVETKNAV NDVLLLYNSI YKLIEIYLRN ESCYVDVIAT DATA SEQUENCE FRDATLKTII GQHLDTNIFS DKYSXXXXEI DVNNINVPEQ PVIDINMINF DATA SEQUENCE GVYKNIVIHK TAYYSFFLPI VCGMLLAGIA VDNLIYKKIE DISMLMGEYF DATA SEQUENCE QIHDDYLDIF GDSTKTGKVG SDIQNNKLTW PLIKTFELCS EPDKIKIVKN DATA SEQUENCE YGKNNLACVK VIDSLYEQYK IRKHYESYEK AQKAKILSAI NELHHEGIEY DATA SEQUENCE VLKYLLEILF TGV 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.969 176.870 0.166 0.000 1.165 34 L CA 0.000 54.880 54.840 0.067 0.000 0.813 34 L CB 0.000 42.098 42.059 0.066 0.000 0.961 35 A N -1.131 121.740 122.820 0.086 0.000 2.072 35 A HA 0.204 4.521 4.320 -0.006 0.000 0.216 35 A C 2.035 179.692 177.584 0.122 0.000 1.156 35 A CA 1.469 53.567 52.037 0.102 0.000 0.701 35 A CB -0.495 18.538 19.000 0.054 0.000 0.816 35 A HN 1.118 nan 8.150 nan 0.000 0.458 36 F N -0.257 119.646 119.950 -0.079 0.000 2.075 36 F HA -0.164 4.360 4.527 -0.006 0.000 0.297 36 F C 1.924 177.809 175.800 0.142 0.000 1.113 36 F CA 2.099 60.066 58.000 -0.054 0.000 1.218 36 F CB -0.535 38.299 39.000 -0.276 0.000 0.984 36 F HN 0.346 nan 8.300 nan 0.000 0.472 37 F N 1.338 121.430 119.950 0.238 0.000 2.027 37 F HA -0.319 4.204 4.527 -0.006 0.000 0.297 37 F C 2.517 178.572 175.800 0.425 0.000 1.129 37 F CA 2.384 60.556 58.000 0.286 0.000 1.195 37 F CB -0.791 38.264 39.000 0.093 0.000 0.960 37 F HN -0.145 nan 8.300 nan 0.000 0.485 38 R N 0.031 120.635 120.500 0.172 0.000 2.091 38 R HA -0.195 4.141 4.340 -0.006 0.000 0.238 38 R C 1.853 178.186 176.300 0.056 0.000 1.136 38 R CA 1.700 57.850 56.100 0.083 0.000 0.959 38 R CB -0.630 29.764 30.300 0.156 0.000 0.856 38 R HN 0.353 nan 8.270 nan 0.000 0.437 39 N N -0.120 118.586 118.700 0.010 0.000 2.457 39 N HA -0.006 4.730 4.740 -0.006 0.000 0.180 39 N C 1.200 176.614 175.510 -0.160 0.000 1.050 39 N CA 0.943 53.950 53.050 -0.072 0.000 0.906 39 N CB 0.233 38.661 38.487 -0.099 0.000 0.968 39 N HN 0.248 nan 8.380 nan 0.000 0.445 40 M N -0.681 118.819 119.600 -0.166 0.000 2.431 40 M HA 0.064 4.540 4.480 -0.006 0.000 0.237 40 M C 1.138 177.267 176.300 -0.284 0.000 1.130 40 M CA -0.207 54.928 55.300 -0.276 0.000 1.002 40 M CB 0.061 32.462 32.600 -0.332 0.000 1.524 40 M HN 0.034 nan 8.290 nan 0.000 0.482 41 Y N 2.215 122.223 120.300 -0.487 0.000 2.040 41 Y HA -0.354 4.192 4.550 -0.006 0.000 0.275 41 Y C 1.694 177.201 175.900 -0.656 0.000 1.171 41 Y CA 2.266 59.709 58.100 -1.094 0.000 1.123 41 Y CB -0.322 37.446 38.460 -1.154 0.000 0.963 41 Y HN 0.236 nan 8.280 nan 0.000 0.493 42 D N 0.406 120.461 120.400 -0.576 0.000 2.149 42 D HA -0.236 4.400 4.640 -0.006 0.000 0.194 42 D C 2.151 178.137 176.300 -0.522 0.000 1.001 42 D CA 1.664 55.358 54.000 -0.510 0.000 0.849 42 D CB -0.359 40.294 40.800 -0.246 0.000 0.939 42 D HN 0.384 nan 8.370 nan 0.000 0.449 43 K N -0.387 119.690 120.400 -0.538 0.000 2.032 43 K HA -0.179 4.137 4.320 -0.006 0.000 0.209 43 K C 2.165 178.436 176.600 -0.547 0.000 1.048 43 K CA 1.194 57.137 56.287 -0.573 0.000 0.927 43 K CB -0.177 31.836 32.500 -0.813 0.000 0.712 43 K HN 0.262 nan 8.250 nan 0.000 0.441 44 Y N 0.339 120.412 120.300 -0.379 0.000 2.269 44 Y HA -0.007 4.539 4.550 -0.006 0.000 0.294 44 Y C 2.467 178.144 175.900 -0.372 0.000 1.120 44 Y CA 0.729 58.663 58.100 -0.276 0.000 1.159 44 Y CB -0.394 37.901 38.460 -0.275 0.000 1.024 44 Y HN 0.031 nan 8.280 nan 0.000 0.532 45 R N 0.965 121.131 120.500 -0.555 0.000 2.094 45 R HA -0.205 4.131 4.340 -0.006 0.000 0.239 45 R C 1.082 177.119 176.300 -0.439 0.000 1.137 45 R CA 2.362 58.043 56.100 -0.698 0.000 0.943 45 R CB -0.540 29.170 30.300 -0.983 0.000 0.850 45 R HN 0.299 nan 8.270 nan 0.000 0.433 46 D N -0.073 120.117 120.400 -0.350 0.000 2.224 46 D HA -0.020 4.617 4.640 -0.006 0.000 0.205 46 D C 1.680 177.885 176.300 -0.158 0.000 0.965 46 D CA 1.133 54.995 54.000 -0.230 0.000 0.852 46 D CB -0.146 40.529 40.800 -0.208 0.000 0.947 46 D HN 0.358 nan 8.370 nan 0.000 0.494 47 A N 0.321 123.076 122.820 -0.109 0.000 1.902 47 A HA -0.171 4.146 4.320 -0.006 0.000 0.217 47 A C 2.047 179.629 177.584 -0.004 0.000 1.181 47 A CA 0.915 52.937 52.037 -0.024 0.000 0.623 47 A CB -0.887 18.182 19.000 0.114 0.000 0.818 47 A HN 0.255 nan 8.150 nan 0.000 0.443 48 F N 0.528 120.386 119.950 -0.154 0.000 2.163 48 F HA -0.035 4.488 4.527 -0.007 0.000 0.297 48 F C 1.904 177.601 175.800 -0.170 0.000 1.094 48 F CA 1.290 59.195 58.000 -0.158 0.000 1.290 48 F CB -0.226 38.622 39.000 -0.254 0.000 1.017 48 F HN 0.120 nan 8.300 nan 0.000 0.483 49 L N -0.903 120.160 121.223 -0.267 0.000 2.042 49 L HA -0.259 4.077 4.340 -0.006 0.000 0.210 49 L C 2.726 179.411 176.870 -0.309 0.000 1.076 49 L CA 1.548 56.209 54.840 -0.299 0.000 0.749 49 L CB -1.239 40.722 42.059 -0.163 0.000 0.893 49 L HN 0.161 nan 8.230 nan 0.000 0.432 50 S N -0.665 114.904 115.700 -0.217 0.000 2.372 50 S HA -0.339 4.128 4.470 -0.006 0.000 0.227 50 S C 2.047 176.531 174.600 -0.192 0.000 1.044 50 S CA 2.035 60.132 58.200 -0.171 0.000 1.050 50 S CB -0.354 62.778 63.200 -0.114 0.000 0.901 50 S HN 0.623 nan 8.310 nan 0.000 0.447 51 H N 0.145 119.016 119.070 -0.331 0.000 2.387 51 H HA -0.008 4.544 4.556 -0.006 0.000 0.299 51 H C 1.654 176.704 175.328 -0.463 0.000 1.099 51 H CA 1.829 57.684 56.048 -0.322 0.000 1.315 51 H CB -0.293 29.272 29.762 -0.328 0.000 1.380 51 H HN 0.293 nan 8.280 nan 0.000 0.513 52 L N 0.587 121.262 121.223 -0.912 0.000 2.209 52 L HA -0.034 4.303 4.340 -0.006 0.000 0.207 52 L C 2.161 178.613 176.870 -0.697 0.000 1.094 52 L CA 1.153 55.224 54.840 -1.281 0.000 0.790 52 L CB -1.231 40.227 42.059 -1.001 0.000 0.932 52 L HN 0.486 nan 8.230 nan 0.000 0.447 53 N N 0.270 118.733 118.700 -0.394 0.000 2.443 53 N HA -0.180 4.557 4.740 -0.006 0.000 0.184 53 N C 1.221 176.655 175.510 -0.127 0.000 1.037 53 N CA 0.650 53.581 53.050 -0.200 0.000 0.896 53 N CB 0.308 38.706 38.487 -0.149 0.000 0.959 53 N HN 0.496 nan 8.380 nan 0.000 0.442 54 E N -0.663 119.451 120.200 -0.143 0.000 2.481 54 E HA -0.053 4.294 4.350 -0.006 0.000 0.195 54 E C -0.214 176.437 176.600 0.086 0.000 1.047 54 E CA -0.008 56.373 56.400 -0.032 0.000 0.867 54 E CB 0.172 29.857 29.700 -0.025 0.000 0.858 54 E HN 0.246 nan 8.360 nan 0.000 0.513 55 Y N 0.780 120.972 120.300 -0.179 0.000 2.550 55 Y HA -0.028 4.518 4.550 -0.007 0.000 0.343 55 Y C 1.022 176.875 175.900 -0.078 0.000 1.245 55 Y CA -0.920 57.099 58.100 -0.135 0.000 1.462 55 Y CB 0.619 38.997 38.460 -0.136 0.000 1.340 55 Y HN -0.226 nan 8.280 nan 0.000 0.604 56 S N 4.372 120.109 115.700 0.062 0.000 3.530 56 S HA 0.492 4.959 4.470 -0.006 0.000 0.279 56 S C -0.731 173.891 174.600 0.036 0.000 1.280 56 S CA -0.389 57.824 58.200 0.022 0.000 0.946 56 S CB -1.500 61.690 63.200 -0.018 0.000 1.501 56 S HN 0.501 nan 8.310 nan 0.000 0.498 57 L N 2.507 123.760 121.223 0.050 0.000 2.350 57 L HA 0.553 4.889 4.340 -0.006 0.000 0.260 57 L C 0.134 177.023 176.870 0.032 0.000 1.015 57 L CA -1.053 53.818 54.840 0.051 0.000 0.821 57 L CB 1.896 44.003 42.059 0.079 0.000 1.370 57 L HN 0.367 nan 8.230 nan 0.000 0.416 58 E N 0.898 121.116 120.200 0.031 0.000 2.398 58 E HA -0.009 4.337 4.350 -0.006 0.000 0.263 58 E C 0.122 176.729 176.600 0.011 0.000 1.046 58 E CA -0.382 56.030 56.400 0.019 0.000 0.908 58 E CB 1.004 30.717 29.700 0.023 0.000 0.963 58 E HN 0.444 nan 8.360 nan 0.000 0.431 59 E N 2.009 122.206 120.200 -0.004 0.000 2.118 59 E HA -0.247 4.099 4.350 -0.006 0.000 0.195 59 E C 1.692 178.267 176.600 -0.043 0.000 0.992 59 E CA 1.192 57.580 56.400 -0.020 0.000 0.804 59 E CB -0.022 29.664 29.700 -0.024 0.000 0.741 59 E HN 0.611 nan 8.360 nan 0.000 0.458 60 E N 0.377 120.550 120.200 -0.046 0.000 2.047 60 E HA -0.143 4.204 4.350 -0.006 0.000 0.191 60 E C 2.220 178.758 176.600 -0.104 0.000 0.987 60 E CA 0.709 57.044 56.400 -0.109 0.000 0.799 60 E CB -0.074 29.593 29.700 -0.055 0.000 0.752 60 E HN 0.169 nan 8.360 nan 0.000 0.449 61 I N 1.088 121.680 120.570 0.038 0.000 2.226 61 I HA -0.286 3.881 4.170 -0.006 0.000 0.245 61 I C 2.488 178.656 176.117 0.085 0.000 1.100 61 I CA 1.231 62.606 61.300 0.125 0.000 1.374 61 I CB -0.165 37.899 38.000 0.106 0.000 1.057 61 I HN 0.032 nan 8.210 nan 0.000 0.413 62 K N 0.558 120.976 120.400 0.031 0.000 2.063 62 K HA -0.222 4.095 4.320 -0.006 0.000 0.208 62 K C 2.049 178.652 176.600 0.006 0.000 1.048 62 K CA 1.653 57.950 56.287 0.016 0.000 0.928 62 K CB -0.183 32.310 32.500 -0.011 0.000 0.713 62 K HN 0.372 nan 8.250 nan 0.000 0.442 63 E N -0.328 119.842 120.200 -0.051 0.000 2.085 63 E HA -0.206 4.140 4.350 -0.006 0.000 0.194 63 E C 1.916 178.498 176.600 -0.030 0.000 0.994 63 E CA 1.402 57.754 56.400 -0.080 0.000 0.801 63 E CB -0.125 29.476 29.700 -0.164 0.000 0.743 63 E HN 0.473 nan 8.360 nan 0.000 0.453 64 H N -0.050 119.047 119.070 0.046 0.000 2.357 64 H HA -0.066 4.487 4.556 -0.004 0.000 0.301 64 H C 2.151 177.531 175.328 0.086 0.000 1.082 64 H CA 0.904 56.985 56.048 0.055 0.000 1.342 64 H CB 0.171 29.950 29.762 0.029 0.000 1.389 64 H HN 0.086 nan 8.280 nan 0.000 0.511 65 I N 0.130 120.837 120.570 0.229 0.000 2.208 65 I HA -0.270 3.897 4.170 -0.006 0.000 0.245 65 I C 2.282 178.584 176.117 0.309 0.000 1.097 65 I CA 1.198 62.653 61.300 0.258 0.000 1.363 65 I CB -0.619 37.525 38.000 0.240 0.000 1.051 65 I HN 0.218 nan 8.210 nan 0.000 0.413 66 S N 0.291 116.106 115.700 0.192 0.000 2.368 66 S HA -0.185 4.282 4.470 -0.006 0.000 0.224 66 S C 2.017 176.718 174.600 0.168 0.000 1.029 66 S CA 1.269 59.563 58.200 0.156 0.000 0.988 66 S CB -0.084 63.149 63.200 0.055 0.000 0.838 66 S HN 0.383 nan 8.310 nan 0.000 0.462 67 K N 0.039 120.530 120.400 0.152 0.000 2.002 67 K HA -0.196 4.121 4.320 -0.006 0.000 0.209 67 K C 2.068 178.772 176.600 0.173 0.000 1.048 67 K CA 1.592 57.968 56.287 0.147 0.000 0.930 67 K CB -0.444 32.140 32.500 0.141 0.000 0.714 67 K HN 0.415 nan 8.250 nan 0.000 0.438 68 Y N 0.130 120.466 120.300 0.060 0.000 2.145 68 Y HA -0.268 4.277 4.550 -0.008 0.000 0.286 68 Y C 1.801 177.706 175.900 0.009 0.000 1.145 68 Y CA 1.890 59.977 58.100 -0.022 0.000 1.148 68 Y CB -0.218 38.114 38.460 -0.214 0.000 0.981 68 Y HN 0.129 nan 8.280 nan 0.000 0.507 69 Y N 0.347 120.864 120.300 0.362 0.000 2.337 69 Y HA -0.072 4.475 4.550 -0.005 0.000 0.293 69 Y C 2.497 178.602 175.900 0.342 0.000 1.123 69 Y CA 1.337 59.662 58.100 0.375 0.000 1.201 69 Y CB -0.533 38.186 38.460 0.433 0.000 1.011 69 Y HN 0.088 nan 8.280 nan 0.000 0.545 70 K N 0.112 120.714 120.400 0.336 0.000 2.057 70 K HA -0.204 4.113 4.320 -0.006 0.000 0.207 70 K C 2.038 178.766 176.600 0.214 0.000 1.049 70 K CA 1.326 57.751 56.287 0.230 0.000 0.931 70 K CB -0.420 32.159 32.500 0.131 0.000 0.714 70 K HN 0.236 nan 8.250 nan 0.000 0.440 71 L N 1.445 122.748 121.223 0.133 0.000 2.017 71 L HA -0.135 4.201 4.340 -0.006 0.000 0.208 71 L C 2.186 179.019 176.870 -0.062 0.000 1.073 71 L CA 1.350 56.238 54.840 0.081 0.000 0.745 71 L CB -0.673 41.433 42.059 0.079 0.000 0.894 71 L HN 0.301 nan 8.230 nan 0.000 0.432 72 L N -1.259 119.830 121.223 -0.224 0.000 2.043 72 L HA -0.236 4.100 4.340 -0.006 0.000 0.212 72 L C 2.186 178.823 176.870 -0.390 0.000 1.075 72 L CA 1.918 56.385 54.840 -0.621 0.000 0.752 72 L CB -0.679 41.178 42.059 -0.336 0.000 0.891 72 L HN 0.220 nan 8.230 nan 0.000 0.432 73 F N 0.051 119.969 119.950 -0.053 0.000 2.060 73 F HA -0.182 4.342 4.527 -0.004 0.000 0.295 73 F C 2.325 178.182 175.800 0.094 0.000 1.120 73 F CA 1.688 59.718 58.000 0.050 0.000 1.205 73 F CB -0.717 38.347 39.000 0.107 0.000 0.986 73 F HN 0.124 nan 8.300 nan 0.000 0.470 74 D N -0.911 119.672 120.400 0.305 0.000 2.104 74 D HA -0.256 4.380 4.640 -0.006 0.000 0.194 74 D C 1.989 178.318 176.300 0.049 0.000 0.994 74 D CA 1.469 55.561 54.000 0.154 0.000 0.830 74 D CB -0.861 40.033 40.800 0.157 0.000 0.959 74 D HN 0.290 nan 8.370 nan 0.000 0.452 75 Y N 0.890 121.142 120.300 -0.080 0.000 2.274 75 Y HA -0.117 4.430 4.550 -0.005 0.000 0.290 75 Y C 1.682 177.518 175.900 -0.107 0.000 1.145 75 Y CA 1.294 59.341 58.100 -0.089 0.000 1.203 75 Y CB 0.234 38.623 38.460 -0.118 0.000 0.984 75 Y HN -0.041 nan 8.280 nan 0.000 0.533 76 N N -2.572 116.110 118.700 -0.030 0.000 2.273 76 N HA 0.030 4.767 4.740 -0.006 0.000 0.192 76 N C 0.933 176.443 175.510 -0.001 0.000 1.132 76 N CA 0.750 53.767 53.050 -0.055 0.000 0.887 76 N CB 0.190 38.537 38.487 -0.233 0.000 1.048 76 N HN 0.281 nan 8.380 nan 0.000 0.490 77 C N 0.454 119.780 119.300 0.042 0.000 2.935 77 C HA 0.414 4.871 4.460 -0.006 0.000 0.308 77 C C 1.052 176.128 174.990 0.142 0.000 1.263 77 C CA -0.375 58.744 59.018 0.168 0.000 1.738 77 C CB -0.056 27.882 27.740 0.330 0.000 2.237 77 C HN 0.135 nan 8.230 nan 0.000 0.600 78 L N 0.317 121.521 121.223 -0.031 0.000 2.358 78 L HA 0.693 5.029 4.340 -0.006 0.000 0.268 78 L C 1.261 178.105 176.870 -0.044 0.000 1.032 78 L CA 0.610 55.404 54.840 -0.077 0.000 0.805 78 L CB 0.674 42.583 42.059 -0.250 0.000 1.253 78 L HN 0.356 nan 8.230 nan 0.000 0.452 79 G N 0.301 109.088 108.800 -0.021 0.000 2.218 79 G HA2 -0.164 3.792 3.960 -0.006 0.000 0.216 79 G HA3 -0.164 3.792 3.960 -0.006 0.000 0.216 79 G C 0.345 175.255 174.900 0.017 0.000 0.994 79 G CA -0.254 44.831 45.100 -0.025 0.000 0.637 79 G HN 1.033 nan 8.290 nan 0.000 0.505 80 G N -0.502 108.328 108.800 0.051 0.000 2.531 80 G HA2 0.553 4.509 3.960 -0.006 0.000 0.281 80 G HA3 0.553 4.509 3.960 -0.006 0.000 0.281 80 G C 0.814 175.760 174.900 0.076 0.000 1.382 80 G CA 0.379 45.523 45.100 0.073 0.000 1.045 80 G HN 0.237 nan 8.290 nan 0.000 0.533 81 K N -0.594 119.852 120.400 0.076 0.000 2.228 81 K HA 0.012 4.329 4.320 -0.006 0.000 0.202 81 K C 0.493 177.111 176.600 0.030 0.000 1.051 81 K CA 0.779 57.099 56.287 0.056 0.000 0.960 81 K CB -0.076 32.458 32.500 0.057 0.000 0.743 81 K HN 0.612 nan 8.250 nan 0.000 0.458 82 N N 0.310 119.025 118.700 0.025 0.000 2.776 82 N HA -0.178 4.558 4.740 -0.006 0.000 0.250 82 N C 0.130 175.540 175.510 -0.168 0.000 1.112 82 N CA 0.183 53.223 53.050 -0.017 0.000 0.733 82 N CB -0.859 37.707 38.487 0.131 0.000 1.097 82 N HN 0.205 nan 8.380 nan 0.000 0.558 83 N N 0.624 119.221 118.700 -0.170 0.000 2.120 83 N HA -0.059 4.677 4.740 -0.006 0.000 0.188 83 N C 1.674 176.989 175.510 -0.326 0.000 1.024 83 N CA 1.233 54.128 53.050 -0.258 0.000 0.852 83 N CB -0.030 38.282 38.487 -0.291 0.000 1.003 83 N HN 0.491 nan 8.380 nan 0.000 0.424 84 R N 0.027 120.334 120.500 -0.321 0.000 2.073 84 R HA -0.004 4.333 4.340 -0.006 0.000 0.234 84 R C 2.377 178.491 176.300 -0.310 0.000 1.134 84 R CA 1.369 57.279 56.100 -0.318 0.000 0.952 84 R CB -0.712 29.437 30.300 -0.252 0.000 0.850 84 R HN 0.211 nan 8.270 nan 0.000 0.433 85 G N 1.302 109.877 108.800 -0.374 0.000 2.421 85 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.216 85 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.216 85 G C 1.474 175.866 174.900 -0.847 0.000 1.171 85 G CA 0.675 45.416 45.100 -0.599 0.000 0.775 85 G HN 0.158 nan 8.290 nan 0.000 0.543 86 I N 0.074 120.125 120.570 -0.865 0.000 2.286 86 I HA -0.123 4.044 4.170 -0.006 0.000 0.248 86 I C 2.550 178.496 176.117 -0.284 0.000 1.115 86 I CA 0.315 61.254 61.300 -0.603 0.000 1.392 86 I CB -0.169 37.593 38.000 -0.397 0.000 1.065 86 I HN 0.127 nan 8.210 nan 0.000 0.418 87 L N 0.589 121.658 121.223 -0.257 0.000 2.042 87 L HA -0.167 4.169 4.340 -0.006 0.000 0.210 87 L C 2.451 179.266 176.870 -0.092 0.000 1.076 87 L CA 1.812 56.560 54.840 -0.154 0.000 0.749 87 L CB -0.628 41.317 42.059 -0.190 0.000 0.893 87 L HN 0.004 nan 8.230 nan 0.000 0.432 88 V N -0.300 119.535 119.914 -0.130 0.000 2.343 88 V HA -0.298 3.819 4.120 -0.006 0.000 0.247 88 V C 2.546 178.673 176.094 0.055 0.000 1.051 88 V CA 1.596 63.865 62.300 -0.052 0.000 1.036 88 V CB -0.569 31.204 31.823 -0.083 0.000 0.654 88 V HN 0.345 nan 8.190 nan 0.000 0.451 89 I N -0.454 120.135 120.570 0.031 0.000 2.202 89 I HA -0.192 3.974 4.170 -0.006 0.000 0.242 89 I C 2.340 178.653 176.117 0.327 0.000 1.091 89 I CA 1.796 63.231 61.300 0.225 0.000 1.368 89 I CB -0.929 37.133 38.000 0.103 0.000 1.058 89 I HN 0.286 nan 8.210 nan 0.000 0.410 90 L N -0.066 121.287 121.223 0.216 0.000 2.044 90 L HA -0.177 4.159 4.340 -0.006 0.000 0.205 90 L C 2.604 179.667 176.870 0.321 0.000 1.075 90 L CA 0.900 55.929 54.840 0.315 0.000 0.747 90 L CB -0.461 41.742 42.059 0.240 0.000 0.903 90 L HN 0.107 nan 8.230 nan 0.000 0.435 91 I N -0.495 120.180 120.570 0.174 0.000 2.118 91 I HA -0.379 3.788 4.170 -0.006 0.000 0.241 91 I C 2.589 178.777 176.117 0.119 0.000 1.070 91 I CA 1.914 63.279 61.300 0.109 0.000 1.327 91 I CB -1.060 36.953 38.000 0.022 0.000 1.034 91 I HN 0.264 nan 8.210 nan 0.000 0.405 92 Y N 1.678 121.992 120.300 0.025 0.000 2.102 92 Y HA -0.317 4.229 4.550 -0.006 0.000 0.280 92 Y C 2.788 178.649 175.900 -0.065 0.000 1.178 92 Y CA 2.505 60.584 58.100 -0.035 0.000 1.146 92 Y CB -0.359 38.066 38.460 -0.058 0.000 0.968 92 Y HN 0.280 nan 8.280 nan 0.000 0.504 93 E N -1.445 118.772 120.200 0.028 0.000 2.072 93 E HA -0.228 4.119 4.350 -0.006 0.000 0.191 93 E C 1.731 178.198 176.600 -0.222 0.000 0.985 93 E CA 1.338 57.665 56.400 -0.122 0.000 0.801 93 E CB -0.390 29.386 29.700 0.126 0.000 0.750 93 E HN 0.654 nan 8.360 nan 0.000 0.452 94 Y N -0.600 119.697 120.300 -0.006 0.000 2.544 94 Y HA -0.040 4.507 4.550 -0.006 0.000 0.286 94 Y C 1.972 177.899 175.900 0.046 0.000 1.141 94 Y CA 0.153 58.269 58.100 0.027 0.000 1.299 94 Y CB 0.497 39.015 38.460 0.097 0.000 1.030 94 Y HN -0.030 nan 8.280 nan 0.000 0.543 95 V N -0.676 119.268 119.914 0.051 0.000 2.407 95 V HA -0.112 4.005 4.120 -0.006 0.000 0.245 95 V C 1.209 177.262 176.094 -0.069 0.000 1.041 95 V CA 1.057 63.371 62.300 0.023 0.000 1.040 95 V CB -0.195 31.558 31.823 -0.117 0.000 0.671 95 V HN 0.046 nan 8.190 nan 0.000 0.455 96 K N 1.656 121.900 120.400 -0.260 0.000 2.202 96 K HA 0.289 4.606 4.320 -0.006 0.000 0.264 96 K C 0.097 176.568 176.600 -0.214 0.000 1.010 96 K CA 0.423 56.534 56.287 -0.292 0.000 0.940 96 K CB 0.347 32.540 32.500 -0.511 0.000 0.983 96 K HN 0.407 nan 8.250 nan 0.000 0.475 97 N N 1.198 119.796 118.700 -0.170 0.000 2.439 97 N HA 0.363 5.099 4.740 -0.006 0.000 0.249 97 N C 0.350 175.772 175.510 -0.148 0.000 1.003 97 N CA -0.351 52.612 53.050 -0.146 0.000 0.942 97 N CB 0.366 38.789 38.487 -0.106 0.000 1.115 97 N HN 0.624 nan 8.380 nan 0.000 0.505 101 N N 3.025 121.666 118.700 -0.099 0.000 2.418 101 N HA 0.304 5.040 4.740 -0.006 0.000 0.283 101 N C 0.960 176.498 175.510 0.046 0.000 1.267 101 N CA -0.049 53.004 53.050 0.005 0.000 0.975 101 N CB 0.641 39.135 38.487 0.012 0.000 1.167 101 N HN 0.506 nan 8.380 nan 0.000 0.581 102 S N -1.980 113.783 115.700 0.104 0.000 2.470 102 S HA -0.108 4.358 4.470 -0.006 0.000 0.225 102 S C 1.742 176.437 174.600 0.158 0.000 1.006 102 S CA 0.620 58.898 58.200 0.130 0.000 0.934 102 S CB -0.913 62.394 63.200 0.179 0.000 0.778 102 S HN 0.683 nan 8.310 nan 0.000 0.517 103 S N 1.368 117.139 115.700 0.119 0.000 2.423 103 S HA -0.072 4.394 4.470 -0.006 0.000 0.231 103 S C 1.723 176.373 174.600 0.084 0.000 1.014 103 S CA 1.106 59.380 58.200 0.123 0.000 0.965 103 S CB -0.423 62.831 63.200 0.090 0.000 0.785 103 S HN 0.677 nan 8.310 nan 0.000 0.495 104 E N -0.265 119.935 120.200 0.000 0.000 2.076 104 E HA -0.004 4.343 4.350 -0.006 0.000 0.190 104 E C 1.625 178.109 176.600 -0.193 0.000 0.979 104 E CA 1.143 57.484 56.400 -0.098 0.000 0.807 104 E CB -0.226 29.392 29.700 -0.138 0.000 0.761 104 E HN 0.719 nan 8.360 nan 0.000 0.454 105 W N 1.467 122.679 121.300 -0.147 0.000 2.363 105 W HA -0.169 4.488 4.660 -0.006 0.000 0.296 105 W C 2.294 178.841 176.519 0.047 0.000 1.212 105 W CA 0.856 58.035 57.345 -0.276 0.000 1.260 105 W CB 0.073 28.961 29.460 -0.954 0.000 1.131 105 W HN 0.171 nan 8.180 nan 0.000 0.530 106 E N 0.835 121.292 120.200 0.428 0.000 2.153 106 E HA -0.240 4.107 4.350 -0.006 0.000 0.194 106 E C 1.758 178.513 176.600 0.260 0.000 0.988 106 E CA 1.314 58.008 56.400 0.490 0.000 0.811 106 E CB -0.004 29.918 29.700 0.370 0.000 0.746 106 E HN 0.286 nan 8.360 nan 0.000 0.466 107 K N -0.240 120.237 120.400 0.128 0.000 2.137 107 K HA 0.032 4.348 4.320 -0.006 0.000 0.202 107 K C 2.094 178.652 176.600 -0.070 0.000 1.052 107 K CA 0.810 57.119 56.287 0.036 0.000 0.961 107 K CB 0.042 32.552 32.500 0.016 0.000 0.741 107 K HN 0.073 nan 8.250 nan 0.000 0.452 108 A N 1.555 124.271 122.820 -0.174 0.000 1.873 108 A HA -0.038 4.279 4.320 -0.006 0.000 0.215 108 A C 2.364 179.959 177.584 0.019 0.000 1.186 108 A CA 1.671 53.570 52.037 -0.230 0.000 0.616 108 A CB -0.675 18.001 19.000 -0.539 0.000 0.823 108 A HN 0.291 nan 8.150 nan 0.000 0.442 109 A N -1.120 121.831 122.820 0.217 0.000 2.015 109 A HA -0.151 4.165 4.320 -0.006 0.000 0.219 109 A C 2.313 179.837 177.584 -0.100 0.000 1.163 109 A CA 1.536 53.765 52.037 0.319 0.000 0.646 109 A CB -1.353 18.061 19.000 0.689 0.000 0.806 109 A HN 0.762 nan 8.150 nan 0.000 0.448 110 C N -0.856 118.191 119.300 -0.421 0.000 2.413 110 C HA -0.104 4.353 4.460 -0.006 0.000 0.278 110 C C 2.451 177.255 174.990 -0.309 0.000 1.224 110 C CA 1.451 59.966 59.018 -0.839 0.000 1.732 110 C CB -1.387 26.081 27.740 -0.454 0.000 2.050 110 C HN 0.497 nan 8.230 nan 0.000 0.463 111 L N 1.717 122.877 121.223 -0.105 0.000 2.042 111 L HA -0.043 4.293 4.340 -0.006 0.000 0.210 111 L C 2.896 179.811 176.870 0.075 0.000 1.076 111 L CA 2.350 57.216 54.840 0.043 0.000 0.749 111 L CB -1.448 40.652 42.059 0.068 0.000 0.893 111 L HN 0.492 nan 8.230 nan 0.000 0.432 112 A N -1.775 121.050 122.820 0.008 0.000 1.883 112 A HA -0.265 4.051 4.320 -0.006 0.000 0.217 112 A C 2.184 179.774 177.584 0.010 0.000 1.186 112 A CA 1.860 53.873 52.037 -0.040 0.000 0.624 112 A CB -1.230 17.715 19.000 -0.091 0.000 0.822 112 A HN 0.564 nan 8.150 nan 0.000 0.444 113 W N -1.018 120.367 121.300 0.142 0.000 2.467 113 W HA -0.099 4.557 4.660 -0.007 0.000 0.275 113 W C 2.451 179.016 176.519 0.076 0.000 1.239 113 W CA 0.732 58.151 57.345 0.124 0.000 1.266 113 W CB -0.377 29.054 29.460 -0.048 0.000 1.112 113 W HN 0.351 nan 8.180 nan 0.000 0.576 114 C N -0.223 119.192 119.300 0.192 0.000 2.446 114 C HA -0.137 4.320 4.460 -0.006 0.000 0.279 114 C C 2.469 177.604 174.990 0.243 0.000 1.366 114 C CA 0.442 59.520 59.018 0.101 0.000 1.763 114 C CB -1.272 26.395 27.740 -0.121 0.000 1.929 114 C HN 0.263 nan 8.230 nan 0.000 0.509 115 I N 0.716 121.460 120.570 0.289 0.000 2.439 115 I HA -0.083 4.083 4.170 -0.006 0.000 0.251 115 I C 2.409 178.652 176.117 0.211 0.000 1.139 115 I CA 1.316 62.767 61.300 0.250 0.000 1.438 115 I CB -1.133 36.922 38.000 0.091 0.000 1.085 115 I HN 0.365 nan 8.210 nan 0.000 0.427 116 E N 1.237 121.558 120.200 0.202 0.000 2.150 116 E HA -0.087 4.260 4.350 -0.006 0.000 0.193 116 E C 2.326 179.102 176.600 0.292 0.000 0.985 116 E CA 0.955 57.506 56.400 0.252 0.000 0.814 116 E CB -0.087 29.789 29.700 0.293 0.000 0.752 116 E HN 0.531 nan 8.360 nan 0.000 0.466 117 I N 0.617 121.359 120.570 0.287 0.000 2.315 117 I HA -0.234 3.932 4.170 -0.006 0.000 0.248 117 I C 2.401 178.539 176.117 0.036 0.000 1.117 117 I CA 0.378 61.769 61.300 0.152 0.000 1.404 117 I CB -0.184 37.895 38.000 0.131 0.000 1.071 117 I HN 0.066 nan 8.210 nan 0.000 0.419 118 L N 0.964 122.227 121.223 0.068 0.000 2.017 118 L HA -0.253 4.084 4.340 -0.006 0.000 0.208 118 L C 2.578 179.383 176.870 -0.107 0.000 1.073 118 L CA 1.991 56.793 54.840 -0.063 0.000 0.745 118 L CB -0.843 41.296 42.059 0.132 0.000 0.894 118 L HN 0.231 nan 8.230 nan 0.000 0.432 119 Q N -0.063 119.848 119.800 0.185 0.000 2.062 119 Q HA -0.242 4.095 4.340 -0.006 0.000 0.209 119 Q C 2.139 178.239 176.000 0.167 0.000 0.996 119 Q CA 2.688 58.675 55.803 0.306 0.000 0.859 119 Q CB -0.732 28.208 28.738 0.338 0.000 0.920 119 Q HN 0.572 nan 8.270 nan 0.000 0.415 120 A N 0.601 123.481 122.820 0.099 0.000 1.884 120 A HA -0.196 4.121 4.320 -0.006 0.000 0.219 120 A C 2.388 179.968 177.584 -0.007 0.000 1.197 120 A CA 2.856 54.913 52.037 0.035 0.000 0.637 120 A CB -1.613 17.372 19.000 -0.025 0.000 0.827 120 A HN 0.670 nan 8.150 nan 0.000 0.450 121 A N -1.230 121.541 122.820 -0.082 0.000 1.865 121 A HA -0.043 4.273 4.320 -0.006 0.000 0.217 121 A C 1.955 179.534 177.584 -0.009 0.000 1.191 121 A CA 1.831 53.809 52.037 -0.099 0.000 0.623 121 A CB -0.852 18.033 19.000 -0.191 0.000 0.826 121 A HN 0.462 nan 8.150 nan 0.000 0.444 122 F N -0.727 119.207 119.950 -0.028 0.000 2.161 122 F HA -0.120 4.402 4.527 -0.007 0.000 0.300 122 F C 2.049 177.840 175.800 -0.016 0.000 1.089 122 F CA 0.823 58.770 58.000 -0.088 0.000 1.282 122 F CB -0.803 38.029 39.000 -0.281 0.000 1.010 122 F HN 0.096 nan 8.300 nan 0.000 0.485 123 L N -1.032 120.322 121.223 0.218 0.000 2.131 123 L HA -0.061 4.275 4.340 -0.006 0.000 0.206 123 L C 2.451 179.422 176.870 0.169 0.000 1.087 123 L CA 0.902 55.853 54.840 0.184 0.000 0.767 123 L CB -1.225 40.944 42.059 0.185 0.000 0.917 123 L HN -0.090 nan 8.230 nan 0.000 0.441 124 V N -0.143 119.866 119.914 0.157 0.000 2.287 124 V HA -0.321 3.795 4.120 -0.006 0.000 0.248 124 V C 2.684 178.871 176.094 0.155 0.000 1.053 124 V CA 1.790 64.207 62.300 0.194 0.000 1.027 124 V CB -0.991 30.931 31.823 0.166 0.000 0.646 124 V HN 0.492 nan 8.190 nan 0.000 0.447 125 A N -0.225 122.667 122.820 0.119 0.000 1.897 125 A HA -0.258 4.058 4.320 -0.006 0.000 0.215 125 A C 2.022 179.623 177.584 0.028 0.000 1.181 125 A CA 1.921 54.001 52.037 0.071 0.000 0.620 125 A CB -0.707 18.351 19.000 0.097 0.000 0.821 125 A HN 0.628 nan 8.150 nan 0.000 0.443 126 D N -0.074 120.363 120.400 0.062 0.000 2.133 126 D HA -0.186 4.450 4.640 -0.006 0.000 0.195 126 D C 1.184 177.489 176.300 0.008 0.000 0.997 126 D CA 1.714 55.737 54.000 0.039 0.000 0.840 126 D CB -0.093 40.753 40.800 0.076 0.000 0.947 126 D HN 0.372 nan 8.370 nan 0.000 0.452 127 D N -0.495 119.922 120.400 0.027 0.000 2.224 127 D HA -0.051 4.586 4.640 -0.006 0.000 0.205 127 D C 2.212 178.313 176.300 -0.331 0.000 0.965 127 D CA 0.333 54.346 54.000 0.021 0.000 0.852 127 D CB -0.026 40.916 40.800 0.237 0.000 0.947 127 D HN 0.425 nan 8.370 nan 0.000 0.494 128 I N 0.641 120.897 120.570 -0.523 0.000 2.113 128 I HA -0.266 3.900 4.170 -0.006 0.000 0.238 128 I C 2.555 178.478 176.117 -0.323 0.000 1.070 128 I CA 0.966 61.843 61.300 -0.705 0.000 1.332 128 I CB -0.326 37.451 38.000 -0.373 0.000 1.044 128 I HN -0.060 nan 8.210 nan 0.000 0.402 129 M N 0.193 119.696 119.600 -0.162 0.000 2.108 129 M HA -0.208 4.268 4.480 -0.006 0.000 0.261 129 M C 1.010 177.273 176.300 -0.061 0.000 1.066 129 M CA 1.691 56.942 55.300 -0.083 0.000 1.107 129 M CB -0.548 32.027 32.600 -0.043 0.000 1.356 129 M HN 0.190 nan 8.290 nan 0.000 0.406 130 D N 0.084 120.455 120.400 -0.048 0.000 2.340 130 D HA 0.099 4.735 4.640 -0.006 0.000 0.217 130 D C -0.101 176.209 176.300 0.016 0.000 1.081 130 D CA 0.176 54.172 54.000 -0.006 0.000 0.842 130 D CB 0.087 40.899 40.800 0.019 0.000 0.934 130 D HN 0.222 nan 8.370 nan 0.000 0.511 131 K N 0.314 120.712 120.400 -0.005 0.000 3.150 131 K HA -0.126 4.191 4.320 -0.006 0.000 0.267 131 K C 0.646 177.363 176.600 0.194 0.000 1.028 131 K CA 0.426 56.773 56.287 0.100 0.000 0.753 131 K CB -1.674 30.875 32.500 0.083 0.000 1.288 131 K HN 0.240 nan 8.250 nan 0.000 0.473 132 G N 0.687 109.628 108.800 0.235 0.000 2.491 132 G HA2 0.069 4.026 3.960 -0.006 0.000 0.238 132 G HA3 0.069 4.026 3.960 -0.006 0.000 0.238 132 G C 0.628 175.702 174.900 0.291 0.000 1.277 132 G CA -0.363 44.888 45.100 0.252 0.000 0.851 132 G HN 0.432 nan 8.290 nan 0.000 0.573 133 E N 0.273 120.589 120.200 0.193 0.000 2.152 133 E HA 0.123 4.469 4.350 -0.006 0.000 0.195 133 E C 0.221 176.945 176.600 0.207 0.000 0.934 133 E CA 0.224 56.728 56.400 0.173 0.000 0.869 133 E CB 0.278 30.057 29.700 0.131 0.000 0.842 133 E HN 0.358 nan 8.360 nan 0.000 0.472 134 M N 0.718 120.415 119.600 0.162 0.000 2.393 134 M HA 0.353 4.829 4.480 -0.006 0.000 0.316 134 M C -1.297 175.078 176.300 0.125 0.000 1.087 134 M CA -0.553 54.822 55.300 0.126 0.000 0.937 134 M CB 2.053 34.689 32.600 0.060 0.000 1.668 134 M HN -0.229 nan 8.290 nan 0.000 0.438 135 R N 1.911 122.485 120.500 0.123 0.000 2.502 135 R HA 0.616 4.952 4.340 -0.006 0.000 0.300 135 R C -0.679 175.645 176.300 0.040 0.000 0.984 135 R CA -0.250 55.914 56.100 0.108 0.000 0.882 135 R CB 0.851 31.251 30.300 0.166 0.000 1.180 135 R HN 0.706 nan 8.270 nan 0.000 0.444 136 R N 3.847 124.365 120.500 0.029 0.000 3.416 136 R HA -0.342 3.994 4.340 -0.006 0.000 0.263 136 R C -0.452 175.822 176.300 -0.044 0.000 1.053 136 R CA 0.862 56.958 56.100 -0.006 0.000 0.705 136 R CB -1.601 28.686 30.300 -0.023 0.000 1.124 136 R HN 0.981 nan 8.270 nan 0.000 0.444 137 N N -1.217 117.463 118.700 -0.034 0.000 2.878 137 N HA -0.176 4.561 4.740 -0.006 0.000 0.247 137 N C -0.421 175.020 175.510 -0.116 0.000 1.021 137 N CA 2.237 55.249 53.050 -0.063 0.000 0.873 137 N CB -0.377 38.076 38.487 -0.056 0.000 1.128 137 N HN 0.743 nan 8.380 nan 0.000 0.571 138 K N -0.866 119.469 120.400 -0.108 0.000 2.443 138 K HA 0.396 4.712 4.320 -0.006 0.000 0.251 138 K C -0.596 176.018 176.600 0.024 0.000 0.972 138 K CA -0.758 55.449 56.287 -0.134 0.000 0.833 138 K CB 1.121 33.508 32.500 -0.187 0.000 1.317 138 K HN -0.064 nan 8.250 nan 0.000 0.441 139 Y N 0.582 120.992 120.300 0.185 0.000 2.610 139 Y HA -0.047 4.503 4.550 0.000 0.000 0.332 139 Y C 0.711 176.774 175.900 0.272 0.000 1.201 139 Y CA -0.678 57.520 58.100 0.164 0.000 1.465 139 Y CB 0.404 38.924 38.460 0.100 0.000 1.283 139 Y HN 0.463 nan 8.280 nan 0.000 0.563 140 C N 4.457 123.978 119.300 0.369 0.000 2.563 140 C HA -0.226 4.230 4.460 -0.006 0.000 0.411 140 C C 2.070 177.274 174.990 0.357 0.000 1.386 140 C CA -0.737 58.511 59.018 0.383 0.000 1.703 140 C CB -0.447 27.516 27.740 0.371 0.000 2.596 140 C HN 1.104 nan 8.230 nan 0.000 0.605 141 W N 2.615 124.066 121.300 0.252 0.000 2.302 141 W HA -0.252 4.408 4.660 0.000 0.000 0.320 141 W C 2.162 178.702 176.519 0.034 0.000 1.241 141 W CA 2.275 59.666 57.345 0.077 0.000 1.264 141 W CB -0.549 28.987 29.460 0.127 0.000 1.154 141 W HN 1.009 nan 8.180 nan 0.000 0.483 142 Y N 0.025 120.403 120.300 0.131 0.000 2.465 142 Y HA -0.146 4.396 4.550 -0.014 0.000 0.289 142 Y C 1.964 177.818 175.900 -0.076 0.000 1.150 142 Y CA 1.477 59.570 58.100 -0.012 0.000 1.293 142 Y CB -1.212 37.296 38.460 0.080 0.000 0.977 142 Y HN -0.067 nan 8.280 nan 0.000 0.556 143 L N -0.050 120.726 121.223 -0.746 0.000 2.307 143 L HA 0.061 4.398 4.340 -0.006 0.000 0.211 143 L C 0.315 176.936 176.870 -0.415 0.000 1.099 143 L CA -0.278 54.151 54.840 -0.684 0.000 0.816 143 L CB -0.115 41.561 42.059 -0.638 0.000 0.952 143 L HN 0.123 nan 8.230 nan 0.000 0.455 144 L N 1.073 122.070 121.223 -0.376 0.000 2.540 144 L HA -0.061 4.276 4.340 -0.006 0.000 0.276 144 L C 1.440 178.124 176.870 -0.310 0.000 1.212 144 L CA 0.609 55.239 54.840 -0.349 0.000 0.893 144 L CB 0.094 41.885 42.059 -0.447 0.000 1.138 144 L HN 0.008 nan 8.230 nan 0.000 0.491 145 K N 1.502 121.759 120.400 -0.239 0.000 2.280 145 K HA -0.106 4.210 4.320 -0.006 0.000 0.202 145 K C 1.037 177.536 176.600 -0.169 0.000 1.047 145 K CA 0.906 57.084 56.287 -0.181 0.000 0.942 145 K CB -0.047 32.368 32.500 -0.141 0.000 0.739 145 K HN 0.534 nan 8.250 nan 0.000 0.457 146 D N -0.181 120.100 120.400 -0.198 0.000 2.347 146 D HA -0.029 4.607 4.640 -0.006 0.000 0.213 146 D C 1.528 177.714 176.300 -0.189 0.000 0.985 146 D CA 0.406 54.307 54.000 -0.166 0.000 0.879 146 D CB 0.547 41.259 40.800 -0.147 0.000 0.919 146 D HN -0.073 nan 8.370 nan 0.000 0.526 147 V N -0.297 119.426 119.914 -0.317 0.000 3.240 147 V HA 0.099 4.216 4.120 -0.006 0.000 0.218 147 V C 0.382 176.339 176.094 -0.229 0.000 1.190 147 V CA -0.102 61.968 62.300 -0.384 0.000 1.280 147 V CB 0.078 31.311 31.823 -0.983 0.000 1.244 147 V HN 0.086 nan 8.190 nan 0.000 0.512 148 E N -0.406 119.653 120.200 -0.234 0.000 9.237 148 E HA -0.237 4.109 4.350 -0.006 0.000 0.412 148 E C 0.704 177.313 176.600 0.015 0.000 1.429 148 E CA 0.595 56.937 56.400 -0.097 0.000 2.483 148 E CB -0.962 28.695 29.700 -0.071 0.000 1.050 148 E HN 0.433 nan 8.360 nan 0.000 0.408 149 T N 0.417 115.031 114.554 0.100 0.000 2.867 149 T HA -0.183 4.164 4.350 -0.006 0.000 0.268 149 T C 1.723 176.480 174.700 0.095 0.000 1.057 149 T CA 1.745 63.932 62.100 0.145 0.000 1.136 149 T CB -0.175 68.772 68.868 0.132 0.000 0.874 149 T HN 0.418 nan 8.240 nan 0.000 0.466 150 K N 1.302 121.736 120.400 0.057 0.000 2.097 150 K HA -0.096 4.221 4.320 -0.006 0.000 0.206 150 K C 1.763 178.404 176.600 0.067 0.000 1.049 150 K CA 1.392 57.707 56.287 0.047 0.000 0.933 150 K CB -0.244 32.266 32.500 0.017 0.000 0.717 150 K HN 0.197 nan 8.250 nan 0.000 0.442 151 N N 1.320 120.059 118.700 0.064 0.000 2.251 151 N HA -0.011 4.726 4.740 -0.006 0.000 0.181 151 N C 2.027 177.683 175.510 0.245 0.000 1.019 151 N CA 1.308 54.431 53.050 0.122 0.000 0.862 151 N CB -0.313 38.226 38.487 0.088 0.000 0.992 151 N HN 0.357 nan 8.380 nan 0.000 0.429 152 A N 1.238 124.195 122.820 0.229 0.000 1.892 152 A HA -0.146 4.171 4.320 -0.006 0.000 0.218 152 A C 2.517 180.268 177.584 0.278 0.000 1.188 152 A CA 1.663 53.915 52.037 0.359 0.000 0.631 152 A CB -0.941 18.274 19.000 0.358 0.000 0.822 152 A HN 0.106 nan 8.150 nan 0.000 0.447 153 V N 0.552 120.578 119.914 0.187 0.000 2.295 153 V HA -0.273 3.843 4.120 -0.006 0.000 0.246 153 V C 2.437 178.626 176.094 0.157 0.000 1.049 153 V CA 2.386 64.770 62.300 0.141 0.000 1.024 153 V CB -1.114 30.768 31.823 0.099 0.000 0.648 153 V HN 0.738 nan 8.190 nan 0.000 0.447 154 N N 0.401 119.204 118.700 0.172 0.000 2.149 154 N HA -0.185 4.552 4.740 -0.006 0.000 0.188 154 N C 1.430 177.091 175.510 0.252 0.000 1.019 154 N CA 1.644 54.809 53.050 0.192 0.000 0.857 154 N CB -0.242 38.353 38.487 0.180 0.000 0.997 154 N HN 0.451 nan 8.380 nan 0.000 0.426 155 D N -0.824 119.764 120.400 0.313 0.000 2.183 155 D HA -0.053 4.583 4.640 -0.006 0.000 0.203 155 D C 1.965 178.382 176.300 0.195 0.000 0.969 155 D CA 0.414 54.626 54.000 0.353 0.000 0.842 155 D CB -0.186 40.921 40.800 0.512 0.000 0.957 155 D HN 0.095 nan 8.370 nan 0.000 0.484 156 V N 0.975 120.990 119.914 0.169 0.000 2.295 156 V HA -0.210 3.906 4.120 -0.006 0.000 0.246 156 V C 2.611 178.771 176.094 0.111 0.000 1.049 156 V CA 1.141 63.501 62.300 0.101 0.000 1.024 156 V CB -0.425 31.456 31.823 0.098 0.000 0.648 156 V HN 0.210 nan 8.190 nan 0.000 0.447 157 L N -0.904 120.405 121.223 0.144 0.000 2.083 157 L HA -0.202 4.135 4.340 -0.006 0.000 0.209 157 L C 2.403 179.383 176.870 0.184 0.000 1.083 157 L CA 1.432 56.379 54.840 0.177 0.000 0.752 157 L CB -0.460 41.696 42.059 0.160 0.000 0.899 157 L HN 0.346 nan 8.230 nan 0.000 0.433 158 L N -0.351 120.971 121.223 0.165 0.000 2.005 158 L HA -0.212 4.124 4.340 -0.006 0.000 0.207 158 L C 2.438 179.307 176.870 -0.001 0.000 1.072 158 L CA 1.498 56.417 54.840 0.133 0.000 0.744 158 L CB -0.208 41.962 42.059 0.186 0.000 0.895 158 L HN 0.068 nan 8.230 nan 0.000 0.433 159 L N -1.397 119.776 121.223 -0.083 0.000 2.013 159 L HA -0.309 4.027 4.340 -0.006 0.000 0.212 159 L C 2.563 179.367 176.870 -0.112 0.000 1.073 159 L CA 1.866 56.567 54.840 -0.232 0.000 0.753 159 L CB -0.917 40.987 42.059 -0.257 0.000 0.890 159 L HN 0.356 nan 8.230 nan 0.000 0.432 160 Y N 0.783 121.011 120.300 -0.120 0.000 2.224 160 Y HA -0.228 4.319 4.550 -0.005 0.000 0.289 160 Y C 2.462 178.394 175.900 0.052 0.000 1.146 160 Y CA 1.558 59.622 58.100 -0.060 0.000 1.182 160 Y CB -0.281 38.167 38.460 -0.020 0.000 0.983 160 Y HN 0.228 nan 8.280 nan 0.000 0.524 161 N N -0.575 118.117 118.700 -0.013 0.000 2.416 161 N HA -0.103 4.633 4.740 -0.006 0.000 0.177 161 N C 1.951 177.420 175.510 -0.068 0.000 1.036 161 N CA 1.075 54.127 53.050 0.003 0.000 0.901 161 N CB -0.099 38.460 38.487 0.119 0.000 0.976 161 N HN 0.483 nan 8.380 nan 0.000 0.444 162 S N 1.227 116.759 115.700 -0.280 0.000 2.383 162 S HA -0.054 4.412 4.470 -0.006 0.000 0.227 162 S C 2.084 176.447 174.600 -0.394 0.000 1.026 162 S CA 0.385 58.186 58.200 -0.665 0.000 0.981 162 S CB -0.587 61.917 63.200 -1.160 0.000 0.818 162 S HN 0.177 nan 8.310 nan 0.000 0.472 163 I N 0.717 121.050 120.570 -0.394 0.000 2.074 163 I HA -0.312 3.854 4.170 -0.006 0.000 0.238 163 I C 2.482 178.258 176.117 -0.569 0.000 1.037 163 I CA 2.257 63.226 61.300 -0.552 0.000 1.301 163 I CB -0.595 36.886 38.000 -0.866 0.000 1.016 163 I HN 0.271 nan 8.210 nan 0.000 0.400 164 Y N 0.327 120.412 120.300 -0.358 0.000 2.293 164 Y HA -0.249 4.297 4.550 -0.007 0.000 0.291 164 Y C 2.493 178.329 175.900 -0.106 0.000 1.137 164 Y CA 1.474 59.424 58.100 -0.250 0.000 1.202 164 Y CB -0.487 37.830 38.460 -0.239 0.000 0.990 164 Y HN 0.096 nan 8.280 nan 0.000 0.537 165 K N 0.967 121.393 120.400 0.044 0.000 2.026 165 K HA -0.132 4.185 4.320 -0.006 0.000 0.208 165 K C 1.774 178.392 176.600 0.029 0.000 1.048 165 K CA 1.439 57.744 56.287 0.031 0.000 0.929 165 K CB -0.743 31.808 32.500 0.084 0.000 0.713 165 K HN 0.325 nan 8.250 nan 0.000 0.439 166 L N 0.276 121.518 121.223 0.031 0.000 2.046 166 L HA -0.116 4.221 4.340 -0.006 0.000 0.208 166 L C 2.326 179.295 176.870 0.164 0.000 1.077 166 L CA 1.224 56.143 54.840 0.131 0.000 0.747 166 L CB -0.306 41.820 42.059 0.111 0.000 0.896 166 L HN 0.201 nan 8.230 nan 0.000 0.432 167 I N -0.508 120.087 120.570 0.041 0.000 2.315 167 I HA -0.283 3.883 4.170 -0.006 0.000 0.248 167 I C 2.566 178.833 176.117 0.250 0.000 1.117 167 I CA 1.216 62.585 61.300 0.116 0.000 1.404 167 I CB -0.326 37.661 38.000 -0.021 0.000 1.071 167 I HN 0.357 nan 8.210 nan 0.000 0.419 168 E N 1.869 122.196 120.200 0.211 0.000 2.077 168 E HA -0.222 4.125 4.350 -0.006 0.000 0.193 168 E C 2.348 178.905 176.600 -0.072 0.000 0.989 168 E CA 1.355 57.811 56.400 0.094 0.000 0.800 168 E CB -0.026 29.736 29.700 0.103 0.000 0.746 168 E HN 0.460 nan 8.360 nan 0.000 0.452 169 I N -0.183 120.337 120.570 -0.083 0.000 2.163 169 I HA -0.285 3.882 4.170 -0.006 0.000 0.243 169 I C 1.691 177.601 176.117 -0.344 0.000 1.085 169 I CA 1.418 62.556 61.300 -0.270 0.000 1.347 169 I CB -0.222 37.534 38.000 -0.406 0.000 1.044 169 I HN 0.222 nan 8.210 nan 0.000 0.408 170 Y N -0.959 119.361 120.300 0.034 0.000 2.478 170 Y HA 0.197 4.743 4.550 -0.006 0.000 0.261 170 Y C 1.299 177.214 175.900 0.025 0.000 1.127 170 Y CA 0.137 58.272 58.100 0.058 0.000 1.288 170 Y CB 0.487 39.030 38.460 0.137 0.000 1.084 170 Y HN 0.029 nan 8.280 nan 0.000 0.530 171 L N -0.746 120.536 121.223 0.098 0.000 3.386 171 L HA 0.200 4.537 4.340 -0.006 0.000 0.307 171 L C 1.820 178.547 176.870 -0.238 0.000 1.235 171 L CA 0.032 54.903 54.840 0.051 0.000 1.056 171 L CB 0.194 42.375 42.059 0.203 0.000 1.453 171 L HN -0.008 nan 8.230 nan 0.000 0.615 172 R N -0.739 119.440 120.500 -0.535 0.000 2.200 172 R HA -0.056 4.281 4.340 -0.006 0.000 0.234 172 R C 0.872 176.842 176.300 -0.550 0.000 1.127 172 R CA 1.494 56.949 56.100 -1.075 0.000 0.989 172 R CB -0.395 29.469 30.300 -0.728 0.000 0.869 172 R HN 0.272 nan 8.270 nan 0.000 0.459 173 N N 0.435 118.985 118.700 -0.250 0.000 2.325 173 N HA 0.023 4.760 4.740 -0.006 0.000 0.182 173 N C -0.303 175.189 175.510 -0.030 0.000 1.088 173 N CA 0.242 53.226 53.050 -0.110 0.000 0.879 173 N CB 0.257 38.701 38.487 -0.071 0.000 0.983 173 N HN 0.236 nan 8.380 nan 0.000 0.471 174 E N 0.652 120.851 120.200 -0.002 0.000 2.418 174 E HA -0.005 4.341 4.350 -0.006 0.000 0.261 174 E C 1.020 177.686 176.600 0.110 0.000 1.070 174 E CA 0.100 56.542 56.400 0.070 0.000 0.931 174 E CB 0.834 30.598 29.700 0.108 0.000 0.954 174 E HN 0.176 nan 8.360 nan 0.000 0.439 175 S N -0.094 115.666 115.700 0.099 0.000 2.527 175 S HA -0.086 4.380 4.470 -0.006 0.000 0.222 175 S C 1.745 176.416 174.600 0.120 0.000 0.985 175 S CA 0.480 58.741 58.200 0.103 0.000 0.921 175 S CB -0.519 62.725 63.200 0.072 0.000 0.772 175 S HN 0.634 nan 8.310 nan 0.000 0.529 176 C N -0.732 118.648 119.300 0.134 0.000 2.626 176 C HA 0.382 4.839 4.460 -0.006 0.000 0.266 176 C C 2.043 177.121 174.990 0.148 0.000 1.317 176 C CA -0.514 58.576 59.018 0.121 0.000 1.716 176 C CB -2.369 25.440 27.740 0.115 0.000 1.819 176 C HN 0.546 nan 8.230 nan 0.000 0.578 177 Y N 2.805 123.140 120.300 0.058 0.000 2.097 177 Y HA -0.149 4.398 4.550 -0.006 0.000 0.282 177 Y C 2.263 178.208 175.900 0.074 0.000 1.152 177 Y CA 2.251 60.389 58.100 0.063 0.000 1.136 177 Y CB -0.621 37.870 38.460 0.052 0.000 0.975 177 Y HN 0.219 nan 8.280 nan 0.000 0.498 178 V N 0.727 120.583 119.914 -0.096 0.000 2.343 178 V HA -0.279 3.837 4.120 -0.006 0.000 0.247 178 V C 2.106 178.153 176.094 -0.077 0.000 1.051 178 V CA 2.172 64.379 62.300 -0.155 0.000 1.036 178 V CB -0.691 31.117 31.823 -0.025 0.000 0.654 178 V HN 0.410 nan 8.190 nan 0.000 0.451 179 D N 0.089 120.479 120.400 -0.017 0.000 2.144 179 D HA -0.124 4.513 4.640 -0.006 0.000 0.199 179 D C 2.195 178.506 176.300 0.018 0.000 0.984 179 D CA 1.250 55.247 54.000 -0.005 0.000 0.834 179 D CB -0.149 40.645 40.800 -0.011 0.000 0.955 179 D HN 0.345 nan 8.370 nan 0.000 0.465 180 V N 2.367 122.305 119.914 0.039 0.000 2.295 180 V HA -0.220 3.897 4.120 -0.006 0.000 0.246 180 V C 2.619 178.837 176.094 0.207 0.000 1.049 180 V CA 1.498 63.871 62.300 0.122 0.000 1.024 180 V CB -0.596 31.320 31.823 0.156 0.000 0.648 180 V HN 0.276 nan 8.190 nan 0.000 0.447 181 I N -0.395 120.210 120.570 0.058 0.000 2.394 181 I HA -0.074 4.092 4.170 -0.006 0.000 0.251 181 I C 2.436 178.702 176.117 0.248 0.000 1.136 181 I CA 1.685 63.081 61.300 0.161 0.000 1.425 181 I CB -0.788 37.207 38.000 -0.009 0.000 1.079 181 I HN 0.151 nan 8.210 nan 0.000 0.425 182 A N 1.907 124.799 122.820 0.120 0.000 1.902 182 A HA -0.155 4.161 4.320 -0.006 0.000 0.217 182 A C 2.355 180.034 177.584 0.159 0.000 1.181 182 A CA 2.605 54.711 52.037 0.116 0.000 0.623 182 A CB -1.353 17.678 19.000 0.050 0.000 0.818 182 A HN 0.551 nan 8.150 nan 0.000 0.443 183 T N -0.865 113.775 114.554 0.143 0.000 2.821 183 T HA -0.073 4.274 4.350 -0.006 0.000 0.267 183 T C 1.536 176.317 174.700 0.134 0.000 1.046 183 T CA 1.398 63.560 62.100 0.103 0.000 1.139 183 T CB -0.401 68.454 68.868 -0.022 0.000 0.871 183 T HN 0.390 nan 8.240 nan 0.000 0.454 184 F N 1.437 121.477 119.950 0.148 0.000 2.102 184 F HA -0.004 4.519 4.527 -0.006 0.000 0.298 184 F C 2.753 178.747 175.800 0.323 0.000 1.105 184 F CA 1.056 59.175 58.000 0.197 0.000 1.239 184 F CB -0.210 38.827 39.000 0.061 0.000 0.991 184 F HN -0.065 nan 8.300 nan 0.000 0.474 185 R N 0.695 121.511 120.500 0.526 0.000 2.073 185 R HA -0.173 4.163 4.340 -0.006 0.000 0.234 185 R C 1.601 178.067 176.300 0.276 0.000 1.134 185 R CA 2.198 58.546 56.100 0.413 0.000 0.952 185 R CB -0.692 29.759 30.300 0.252 0.000 0.850 185 R HN 0.198 nan 8.270 nan 0.000 0.433 186 D N 0.252 120.775 120.400 0.205 0.000 2.149 186 D HA -0.051 4.586 4.640 -0.006 0.000 0.201 186 D C 1.743 178.107 176.300 0.106 0.000 0.972 186 D CA 1.342 55.413 54.000 0.119 0.000 0.835 186 D CB -0.216 40.638 40.800 0.090 0.000 0.966 186 D HN 0.352 nan 8.370 nan 0.000 0.476 187 A N 0.310 123.249 122.820 0.199 0.000 1.902 187 A HA -0.168 4.149 4.320 -0.006 0.000 0.217 187 A C 2.349 180.105 177.584 0.287 0.000 1.181 187 A CA 2.062 54.255 52.037 0.260 0.000 0.623 187 A CB -0.910 18.272 19.000 0.302 0.000 0.818 187 A HN 0.207 nan 8.150 nan 0.000 0.443 188 T N 0.486 115.256 114.554 0.358 0.000 2.737 188 T HA -0.077 4.270 4.350 -0.006 0.000 0.265 188 T C 1.829 176.652 174.700 0.204 0.000 1.038 188 T CA 1.424 63.776 62.100 0.419 0.000 1.144 188 T CB -0.415 68.737 68.868 0.474 0.000 0.866 188 T HN 0.353 nan 8.240 nan 0.000 0.434 189 L N 0.593 121.902 121.223 0.143 0.000 2.042 189 L HA -0.164 4.172 4.340 -0.006 0.000 0.210 189 L C 2.771 179.661 176.870 0.033 0.000 1.076 189 L CA 1.431 56.308 54.840 0.061 0.000 0.749 189 L CB -0.484 41.602 42.059 0.045 0.000 0.893 189 L HN 0.212 nan 8.230 nan 0.000 0.432 190 K N -0.575 119.840 120.400 0.026 0.000 2.026 190 K HA -0.143 4.173 4.320 -0.006 0.000 0.208 190 K C 2.083 178.760 176.600 0.129 0.000 1.048 190 K CA 1.953 58.279 56.287 0.065 0.000 0.929 190 K CB -0.495 31.883 32.500 -0.204 0.000 0.713 190 K HN 0.327 nan 8.250 nan 0.000 0.439 191 T N 2.131 116.721 114.554 0.060 0.000 2.720 191 T HA -0.141 4.205 4.350 -0.006 0.000 0.268 191 T C 2.028 176.639 174.700 -0.148 0.000 1.037 191 T CA 1.335 63.378 62.100 -0.095 0.000 1.144 191 T CB -0.256 68.331 68.868 -0.468 0.000 0.864 191 T HN 0.148 nan 8.240 nan 0.000 0.444 192 I N 0.614 121.126 120.570 -0.096 0.000 2.286 192 I HA -0.136 4.031 4.170 -0.006 0.000 0.248 192 I C 2.151 178.266 176.117 -0.003 0.000 1.115 192 I CA 0.802 62.072 61.300 -0.051 0.000 1.392 192 I CB -0.365 37.626 38.000 -0.014 0.000 1.065 192 I HN 0.176 nan 8.210 nan 0.000 0.418 193 I N 0.927 121.496 120.570 -0.002 0.000 2.226 193 I HA -0.191 3.975 4.170 -0.006 0.000 0.245 193 I C 2.626 178.765 176.117 0.038 0.000 1.100 193 I CA 1.822 63.118 61.300 -0.005 0.000 1.374 193 I CB -1.971 35.983 38.000 -0.077 0.000 1.057 193 I HN 0.241 nan 8.210 nan 0.000 0.413 194 G N -0.129 108.704 108.800 0.055 0.000 2.421 194 G HA2 -0.170 3.786 3.960 -0.006 0.000 0.217 194 G HA3 -0.170 3.786 3.960 -0.006 0.000 0.217 194 G C 1.491 176.406 174.900 0.025 0.000 1.143 194 G CA 0.044 45.185 45.100 0.068 0.000 0.784 194 G HN 0.316 nan 8.290 nan 0.000 0.541 195 Q N 0.052 119.853 119.800 0.001 0.000 2.124 195 Q HA -0.117 4.220 4.340 -0.006 0.000 0.202 195 Q C 2.119 178.133 176.000 0.022 0.000 0.977 195 Q CA 1.559 57.354 55.803 -0.013 0.000 0.850 195 Q CB -0.435 28.271 28.738 -0.052 0.000 0.901 195 Q HN 0.767 nan 8.270 nan 0.000 0.429 196 H N 0.702 119.756 119.070 -0.027 0.000 2.321 196 H HA -0.039 4.514 4.556 -0.006 0.000 0.300 196 H C 2.027 177.364 175.328 0.016 0.000 1.087 196 H CA 1.528 57.575 56.048 -0.002 0.000 1.319 196 H CB -0.142 29.622 29.762 0.003 0.000 1.379 196 H HN 0.092 nan 8.280 nan 0.000 0.501 197 L N 0.204 121.424 121.223 -0.005 0.000 2.056 197 L HA -0.165 4.172 4.340 -0.006 0.000 0.207 197 L C 2.497 179.300 176.870 -0.111 0.000 1.078 197 L CA 1.607 56.408 54.840 -0.065 0.000 0.749 197 L CB -0.583 41.457 42.059 -0.032 0.000 0.901 197 L HN 0.482 nan 8.230 nan 0.000 0.433 198 D N -0.310 120.039 120.400 -0.084 0.000 2.190 198 D HA -0.209 4.427 4.640 -0.006 0.000 0.200 198 D C 1.697 177.935 176.300 -0.104 0.000 0.992 198 D CA 1.798 55.745 54.000 -0.089 0.000 0.854 198 D CB 0.267 41.041 40.800 -0.044 0.000 0.936 198 D HN 0.272 nan 8.370 nan 0.000 0.462 199 T N -0.429 114.057 114.554 -0.113 0.000 3.057 199 T HA 0.095 4.442 4.350 -0.006 0.000 0.254 199 T C 1.207 175.823 174.700 -0.140 0.000 1.094 199 T CA 0.136 62.172 62.100 -0.107 0.000 1.088 199 T CB 0.229 69.039 68.868 -0.096 0.000 0.934 199 T HN 0.196 nan 8.240 nan 0.000 0.497 200 N N 0.136 118.723 118.700 -0.187 0.000 2.143 200 N HA 0.186 4.923 4.740 -0.006 0.000 0.222 200 N C 1.018 176.538 175.510 0.017 0.000 1.264 200 N CA -0.016 52.938 53.050 -0.159 0.000 0.897 200 N CB 0.675 38.969 38.487 -0.322 0.000 1.092 200 N HN 0.180 nan 8.380 nan 0.000 0.516 201 I N 0.340 120.876 120.570 -0.057 0.000 2.454 201 I HA -0.109 4.057 4.170 -0.006 0.000 0.254 201 I C 0.779 176.947 176.117 0.085 0.000 1.156 201 I CA 1.368 62.640 61.300 -0.047 0.000 1.433 201 I CB -0.033 37.791 38.000 -0.293 0.000 1.082 201 I HN -0.050 nan 8.210 nan 0.000 0.432 202 F N -0.278 119.694 119.950 0.037 0.000 2.678 202 F HA 0.316 4.839 4.527 -0.008 0.000 0.305 202 F C 1.562 177.355 175.800 -0.013 0.000 1.090 202 F CA -0.405 57.600 58.000 0.009 0.000 1.272 202 F CB -1.219 37.780 39.000 -0.000 0.000 1.060 202 F HN -0.023 nan 8.300 nan 0.000 0.576 203 S N -0.289 115.476 115.700 0.108 0.000 2.579 203 S HA 0.035 4.501 4.470 -0.006 0.000 0.275 203 S C 1.069 175.630 174.600 -0.066 0.000 1.345 203 S CA -0.519 57.655 58.200 -0.044 0.000 1.031 203 S CB 1.069 64.144 63.200 -0.209 0.000 0.892 203 S HN 0.116 nan 8.310 nan 0.000 0.529 204 D N 1.344 121.700 120.400 -0.074 0.000 2.144 204 D HA -0.078 4.559 4.640 -0.006 0.000 0.199 204 D C 1.753 178.009 176.300 -0.074 0.000 0.984 204 D CA 1.137 55.108 54.000 -0.048 0.000 0.834 204 D CB -0.259 40.517 40.800 -0.039 0.000 0.955 204 D HN 0.656 nan 8.370 nan 0.000 0.465 205 K N -0.424 119.860 120.400 -0.193 0.000 2.148 205 K HA -0.229 4.088 4.320 -0.006 0.000 0.213 205 K C 1.905 178.478 176.600 -0.046 0.000 1.050 205 K CA 1.601 57.737 56.287 -0.251 0.000 0.932 205 K CB -0.188 31.907 32.500 -0.674 0.000 0.717 205 K HN 0.437 nan 8.250 nan 0.000 0.462 206 Y N -0.391 119.922 120.300 0.022 0.000 2.558 206 Y HA 0.031 4.579 4.550 -0.003 0.000 0.273 206 Y C 1.701 177.615 175.900 0.024 0.000 1.100 206 Y CA -0.618 57.496 58.100 0.023 0.000 1.276 206 Y CB 0.402 38.875 38.460 0.022 0.000 1.196 206 Y HN 0.014 nan 8.280 nan 0.000 0.527 213 I N 1.938 122.521 120.570 0.021 0.000 2.752 213 I HA 0.153 4.319 4.170 -0.006 0.000 0.289 213 I C 0.467 176.585 176.117 0.002 0.000 1.197 213 I CA 0.406 61.708 61.300 0.003 0.000 1.432 213 I CB 0.909 38.914 38.000 0.009 0.000 1.359 213 I HN 0.583 nan 8.210 nan 0.000 0.571 214 D N 5.796 126.193 120.400 -0.006 0.000 2.412 214 D HA 0.188 4.825 4.640 -0.006 0.000 0.224 214 D C 0.724 177.021 176.300 -0.004 0.000 1.093 214 D CA -0.385 53.613 54.000 -0.004 0.000 0.850 214 D CB 1.212 42.007 40.800 -0.008 0.000 1.046 214 D HN 0.309 nan 8.370 nan 0.000 0.507 215 V N 1.629 121.543 119.914 0.000 0.000 3.623 215 V HA 0.167 4.283 4.120 -0.006 0.000 0.271 215 V C 0.877 176.971 176.094 0.000 0.000 1.248 215 V CA 0.363 62.664 62.300 0.001 0.000 1.156 215 V CB -0.296 31.529 31.823 0.004 0.000 0.870 215 V HN 0.335 nan 8.190 nan 0.000 0.453 216 N N 1.135 119.835 118.700 -0.001 0.000 2.250 216 N HA 0.108 4.845 4.740 -0.006 0.000 0.190 216 N C 0.273 175.781 175.510 -0.002 0.000 1.116 216 N CA 0.225 53.275 53.050 -0.001 0.000 0.881 216 N CB 0.083 38.569 38.487 -0.001 0.000 1.006 216 N HN 0.531 nan 8.380 nan 0.000 0.491 217 N N 1.575 120.273 118.700 -0.004 0.000 2.462 217 N HA 0.161 4.897 4.740 -0.006 0.000 0.242 217 N C 0.419 175.925 175.510 -0.006 0.000 1.010 217 N CA -0.243 52.803 53.050 -0.006 0.000 0.939 217 N CB 0.357 38.839 38.487 -0.008 0.000 1.127 217 N HN 0.155 nan 8.380 nan 0.000 0.509 218 I N 0.505 121.072 120.570 -0.005 0.000 4.081 218 I HA 0.382 4.548 4.170 -0.006 0.000 0.333 218 I C 0.446 176.560 176.117 -0.004 0.000 1.413 218 I CA -0.246 61.051 61.300 -0.004 0.000 1.110 218 I CB 0.010 38.009 38.000 -0.002 0.000 1.082 218 I HN 0.448 nan 8.210 nan 0.000 0.402 219 N N 0.209 118.906 118.700 -0.005 0.000 2.419 219 N HA 0.167 4.904 4.740 -0.006 0.000 0.216 219 N C -0.132 175.374 175.510 -0.006 0.000 1.118 219 N CA -0.220 52.828 53.050 -0.005 0.000 0.850 219 N CB 0.584 39.069 38.487 -0.004 0.000 1.292 219 N HN 0.083 nan 8.380 nan 0.000 0.467 220 V N 3.060 122.970 119.914 -0.007 0.000 2.320 220 V HA 0.427 4.544 4.120 -0.006 0.000 0.265 220 V C -2.229 173.859 176.094 -0.010 0.000 1.048 220 V CA -1.409 60.886 62.300 -0.008 0.000 0.865 220 V CB 0.386 32.204 31.823 -0.008 0.000 1.043 220 V HN 0.171 nan 8.190 nan 0.000 0.474 221 P HA 0.267 nan 4.420 nan 0.000 0.277 221 P C -0.327 176.966 177.300 -0.012 0.000 1.240 221 P CA -0.499 62.595 63.100 -0.011 0.000 0.798 221 P CB 0.864 32.559 31.700 -0.009 0.000 0.979 222 E N 0.645 120.836 120.200 -0.015 0.000 2.259 222 E HA 0.362 4.709 4.350 -0.006 0.000 0.281 222 E C -0.225 176.369 176.600 -0.010 0.000 1.027 222 E CA -0.449 55.942 56.400 -0.016 0.000 0.838 222 E CB 0.288 29.974 29.700 -0.024 0.000 1.066 222 E HN 0.475 nan 8.360 nan 0.000 0.401 223 Q N 4.451 124.246 119.800 -0.009 0.000 2.295 223 Q HA 0.266 4.602 4.340 -0.006 0.000 0.259 223 Q C -2.431 173.567 176.000 -0.002 0.000 0.976 223 Q CA -1.698 54.101 55.803 -0.007 0.000 0.923 223 Q CB -0.087 28.646 28.738 -0.009 0.000 1.185 223 Q HN 0.435 nan 8.270 nan 0.000 0.410 224 P HA 0.271 nan 4.420 nan 0.000 0.262 224 P C -0.998 176.308 177.300 0.009 0.000 1.199 224 P CA 0.071 63.185 63.100 0.024 0.000 0.763 224 P CB 0.708 32.428 31.700 0.034 0.000 0.790 225 V N 4.392 124.301 119.914 -0.010 0.000 2.925 225 V HA 0.417 4.533 4.120 -0.006 0.000 0.311 225 V C 0.430 176.396 176.094 -0.214 0.000 1.104 225 V CA -1.110 61.145 62.300 -0.075 0.000 0.954 225 V CB 2.057 33.837 31.823 -0.071 0.000 1.022 225 V HN 0.433 nan 8.190 nan 0.000 0.427 226 I N -0.411 119.912 120.570 -0.411 0.000 2.638 226 I HA 0.597 4.764 4.170 -0.006 0.000 0.286 226 I C -0.458 175.197 176.117 -0.769 0.000 1.088 226 I CA 0.198 60.864 61.300 -1.057 0.000 1.397 226 I CB 0.808 38.194 38.000 -1.023 0.000 1.414 226 I HN 0.603 nan 8.210 nan 0.000 0.566 227 D N 5.216 125.069 120.400 -0.911 0.000 2.381 227 D HA 0.357 4.994 4.640 -0.006 0.000 0.235 227 D C 0.647 176.790 176.300 -0.262 0.000 1.068 227 D CA -0.486 53.341 54.000 -0.289 0.000 0.832 227 D CB 1.431 42.256 40.800 0.041 0.000 1.101 227 D HN 0.648 nan 8.370 nan 0.000 0.515 228 I N 2.737 123.165 120.570 -0.236 0.000 2.676 228 I HA -0.164 4.002 4.170 -0.006 0.000 0.259 228 I C 1.450 177.493 176.117 -0.124 0.000 1.194 228 I CA 0.225 61.379 61.300 -0.243 0.000 1.473 228 I CB -0.043 37.907 38.000 -0.083 0.000 1.096 228 I HN 0.350 nan 8.210 nan 0.000 0.443 229 N N 0.569 119.237 118.700 -0.054 0.000 2.520 229 N HA -0.068 4.669 4.740 -0.006 0.000 0.185 229 N C 1.475 176.982 175.510 -0.006 0.000 1.068 229 N CA 1.002 54.040 53.050 -0.019 0.000 0.911 229 N CB 0.081 38.569 38.487 0.002 0.000 0.961 229 N HN 0.325 nan 8.380 nan 0.000 0.446 230 M N -0.138 119.477 119.600 0.026 0.000 2.337 230 M HA 0.252 4.729 4.480 -0.006 0.000 0.256 230 M C 0.349 176.655 176.300 0.010 0.000 1.075 230 M CA 0.052 55.390 55.300 0.063 0.000 1.024 230 M CB 0.244 32.959 32.600 0.192 0.000 1.429 230 M HN -0.076 nan 8.290 nan 0.000 0.497 231 I N 3.043 123.559 120.570 -0.091 0.000 2.213 231 I HA 0.040 4.207 4.170 -0.006 0.000 0.295 231 I C -0.398 175.557 176.117 -0.270 0.000 1.172 231 I CA -0.255 60.897 61.300 -0.246 0.000 1.443 231 I CB -1.060 36.587 38.000 -0.588 0.000 1.491 231 I HN 0.287 nan 8.210 nan 0.000 0.652 232 N N 2.041 120.603 118.700 -0.230 0.000 2.708 232 N HA 0.340 5.076 4.740 -0.006 0.000 0.257 232 N C -0.135 175.257 175.510 -0.197 0.000 1.373 232 N CA -0.855 52.032 53.050 -0.270 0.000 0.843 232 N CB 0.661 39.084 38.487 -0.106 0.000 1.503 232 N HN -0.100 nan 8.380 nan 0.000 0.504 233 F N -0.227 119.744 119.950 0.034 0.000 2.502 233 F HA 0.257 4.781 4.527 -0.006 0.000 0.298 233 F C 2.296 178.190 175.800 0.156 0.000 1.111 233 F CA 1.018 59.087 58.000 0.115 0.000 1.445 233 F CB -0.532 38.526 39.000 0.096 0.000 1.081 233 F HN 0.815 nan 8.300 nan 0.000 0.558 234 G N 0.051 108.991 108.800 0.234 0.000 2.433 234 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.216 234 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.216 234 G C 1.864 176.843 174.900 0.131 0.000 1.186 234 G CA 1.216 46.413 45.100 0.162 0.000 0.779 234 G HN 0.228 nan 8.290 nan 0.000 0.543 235 V N -0.094 119.879 119.914 0.098 0.000 2.307 235 V HA -0.188 3.929 4.120 -0.006 0.000 0.245 235 V C 2.284 178.437 176.094 0.098 0.000 1.045 235 V CA 1.786 64.123 62.300 0.061 0.000 1.024 235 V CB -0.772 31.061 31.823 0.018 0.000 0.651 235 V HN 0.456 nan 8.190 nan 0.000 0.449 236 Y N 1.282 121.611 120.300 0.049 0.000 2.114 236 Y HA -0.299 4.247 4.550 -0.007 0.000 0.282 236 Y C 2.539 178.522 175.900 0.138 0.000 1.165 236 Y CA 2.035 60.193 58.100 0.098 0.000 1.148 236 Y CB -0.232 38.344 38.460 0.194 0.000 0.972 236 Y HN 0.156 nan 8.280 nan 0.000 0.504 237 K N 0.015 120.522 120.400 0.179 0.000 2.057 237 K HA -0.189 4.128 4.320 -0.006 0.000 0.206 237 K C 1.932 178.566 176.600 0.057 0.000 1.050 237 K CA 1.517 57.858 56.287 0.090 0.000 0.935 237 K CB -0.405 32.198 32.500 0.171 0.000 0.715 237 K HN 0.523 nan 8.250 nan 0.000 0.439 238 N N 0.807 119.562 118.700 0.091 0.000 2.091 238 N HA -0.208 4.529 4.740 -0.006 0.000 0.193 238 N C 1.875 177.483 175.510 0.163 0.000 1.021 238 N CA 1.241 54.372 53.050 0.136 0.000 0.862 238 N CB -0.164 38.354 38.487 0.052 0.000 1.018 238 N HN 0.159 nan 8.380 nan 0.000 0.429 239 I N 0.398 120.978 120.570 0.017 0.000 2.235 239 I HA -0.170 3.996 4.170 -0.006 0.000 0.241 239 I C 2.443 178.550 176.117 -0.017 0.000 1.085 239 I CA 0.800 62.087 61.300 -0.022 0.000 1.378 239 I CB -0.361 37.570 38.000 -0.114 0.000 1.076 239 I HN 0.069 nan 8.210 nan 0.000 0.415 240 V N -1.075 118.746 119.914 -0.155 0.000 2.591 240 V HA -0.109 4.007 4.120 -0.006 0.000 0.249 240 V C 2.195 178.294 176.094 0.008 0.000 1.053 240 V CA 1.115 63.333 62.300 -0.137 0.000 1.068 240 V CB -0.600 31.004 31.823 -0.364 0.000 0.689 240 V HN 0.286 nan 8.190 nan 0.000 0.462 241 I N 0.603 121.181 120.570 0.013 0.000 2.179 241 I HA -0.209 3.957 4.170 -0.006 0.000 0.242 241 I C 2.727 178.859 176.117 0.025 0.000 1.088 241 I CA 2.349 63.636 61.300 -0.023 0.000 1.357 241 I CB -0.451 37.521 38.000 -0.047 0.000 1.051 241 I HN 0.361 nan 8.210 nan 0.000 0.409 242 H N 0.805 119.969 119.070 0.157 0.000 2.299 242 H HA -0.171 4.382 4.556 -0.006 0.000 0.302 242 H C 2.172 177.586 175.328 0.145 0.000 1.078 242 H CA 1.854 58.010 56.048 0.180 0.000 1.323 242 H CB -0.170 29.641 29.762 0.081 0.000 1.381 242 H HN 0.286 nan 8.280 nan 0.000 0.498 243 K N -0.311 120.199 120.400 0.183 0.000 2.211 243 K HA -0.027 4.290 4.320 -0.006 0.000 0.203 243 K C 1.038 177.776 176.600 0.229 0.000 1.050 243 K CA 1.972 58.327 56.287 0.113 0.000 0.945 243 K CB 0.248 32.779 32.500 0.051 0.000 0.732 243 K HN 0.151 nan 8.250 nan 0.000 0.451 244 T N -0.431 114.270 114.554 0.246 0.000 3.125 244 T HA 0.270 4.617 4.350 -0.006 0.000 0.252 244 T C 1.913 176.732 174.700 0.197 0.000 0.981 244 T CA 0.258 62.522 62.100 0.273 0.000 1.069 244 T CB 0.119 69.146 68.868 0.265 0.000 1.091 244 T HN 0.299 nan 8.240 nan 0.000 0.460 245 A N 0.609 123.540 122.820 0.184 0.000 1.873 245 A HA 0.031 4.348 4.320 -0.006 0.000 0.215 245 A C 1.952 179.570 177.584 0.056 0.000 1.186 245 A CA 1.327 53.451 52.037 0.145 0.000 0.616 245 A CB -1.057 17.893 19.000 -0.083 0.000 0.823 245 A HN 0.525 nan 8.150 nan 0.000 0.442 246 Y N -0.882 119.495 120.300 0.129 0.000 2.070 246 Y HA -0.313 4.233 4.550 -0.006 0.000 0.280 246 Y C 2.515 178.554 175.900 0.232 0.000 1.148 246 Y CA 2.343 60.551 58.100 0.180 0.000 1.125 246 Y CB -0.831 37.693 38.460 0.106 0.000 0.975 246 Y HN 0.635 nan 8.280 nan 0.000 0.492 247 Y N -2.053 118.404 120.300 0.261 0.000 2.457 247 Y HA 0.034 4.581 4.550 -0.005 0.000 0.292 247 Y C 1.974 177.909 175.900 0.058 0.000 1.125 247 Y CA 1.007 59.224 58.100 0.195 0.000 1.254 247 Y CB -0.557 38.091 38.460 0.313 0.000 1.012 247 Y HN -0.087 nan 8.280 nan 0.000 0.555 248 S N -0.707 114.651 115.700 -0.570 0.000 2.475 248 S HA 0.190 4.657 4.470 -0.006 0.000 0.224 248 S C 0.868 174.877 174.600 -0.985 0.000 1.042 248 S CA 0.540 58.176 58.200 -0.939 0.000 0.935 248 S CB -0.125 62.434 63.200 -1.069 0.000 0.801 248 S HN 0.480 nan 8.310 nan 0.000 0.509 249 F N -1.128 118.713 119.950 -0.181 0.000 2.495 249 F HA 0.380 4.903 4.527 -0.006 0.000 0.272 249 F C 1.557 177.327 175.800 -0.050 0.000 0.919 249 F CA -0.515 57.400 58.000 -0.141 0.000 1.178 249 F CB -0.608 38.307 39.000 -0.141 0.000 1.030 249 F HN 0.078 nan 8.300 nan 0.000 0.777 250 F N 1.203 121.175 119.950 0.036 0.000 2.075 250 F HA -0.184 4.339 4.527 -0.006 0.000 0.297 250 F C 2.246 178.055 175.800 0.015 0.000 1.113 250 F CA 1.361 59.373 58.000 0.020 0.000 1.218 250 F CB -0.632 38.383 39.000 0.024 0.000 0.984 250 F HN -0.044 nan 8.300 nan 0.000 0.472 251 L N 1.897 123.132 121.223 0.020 0.000 1.970 251 L HA -0.115 4.221 4.340 -0.006 0.000 0.212 251 L C -0.680 176.033 176.870 -0.262 0.000 1.071 251 L CA 2.360 57.095 54.840 -0.176 0.000 0.751 251 L CB -2.104 39.873 42.059 -0.136 0.000 0.889 251 L HN 0.038 nan 8.230 nan 0.000 0.432 252 P HA -0.155 nan 4.420 nan 0.000 0.218 252 P C 2.120 179.334 177.300 -0.143 0.000 1.149 252 P CA 1.748 64.739 63.100 -0.181 0.000 0.817 252 P CB -0.059 31.524 31.700 -0.195 0.000 0.785 253 I N -0.730 119.754 120.570 -0.142 0.000 2.252 253 I HA -0.165 4.001 4.170 -0.006 0.000 0.245 253 I C 2.548 178.585 176.117 -0.134 0.000 1.102 253 I CA 1.092 62.319 61.300 -0.121 0.000 1.385 253 I CB -0.694 37.245 38.000 -0.102 0.000 1.064 253 I HN -0.203 nan 8.210 nan 0.000 0.414 254 V N 0.216 119.991 119.914 -0.231 0.000 2.307 254 V HA -0.298 3.818 4.120 -0.006 0.000 0.245 254 V C 2.636 178.697 176.094 -0.056 0.000 1.045 254 V CA 1.723 63.923 62.300 -0.166 0.000 1.024 254 V CB -0.592 30.951 31.823 -0.468 0.000 0.651 254 V HN 0.565 nan 8.190 nan 0.000 0.449 255 C N 0.883 120.119 119.300 -0.105 0.000 2.376 255 C HA -0.182 4.274 4.460 -0.006 0.000 0.275 255 C C 2.959 177.977 174.990 0.046 0.000 1.200 255 C CA 1.093 60.099 59.018 -0.022 0.000 1.756 255 C CB -1.762 25.955 27.740 -0.039 0.000 2.050 255 C HN 0.689 nan 8.230 nan 0.000 0.460 256 G N -0.153 108.670 108.800 0.037 0.000 2.440 256 G HA2 -0.249 3.708 3.960 -0.006 0.000 0.218 256 G HA3 -0.249 3.708 3.960 -0.006 0.000 0.218 256 G C 1.577 176.562 174.900 0.141 0.000 1.154 256 G CA 1.064 46.238 45.100 0.124 0.000 0.767 256 G HN 0.547 nan 8.290 nan 0.000 0.552 257 M N -0.332 119.305 119.600 0.062 0.000 2.200 257 M HA 0.193 4.670 4.480 -0.006 0.000 0.265 257 M C 2.538 178.929 176.300 0.151 0.000 1.066 257 M CA 0.720 56.048 55.300 0.046 0.000 1.127 257 M CB -0.258 32.315 32.600 -0.045 0.000 1.379 257 M HN 0.113 nan 8.290 nan 0.000 0.420 258 L N -0.144 121.188 121.223 0.181 0.000 2.017 258 L HA -0.220 4.116 4.340 -0.006 0.000 0.208 258 L C 2.484 179.442 176.870 0.147 0.000 1.073 258 L CA 0.822 55.757 54.840 0.158 0.000 0.745 258 L CB -0.537 41.575 42.059 0.088 0.000 0.894 258 L HN 0.288 nan 8.230 nan 0.000 0.432 259 L N -0.009 121.316 121.223 0.171 0.000 2.027 259 L HA -0.100 4.236 4.340 -0.006 0.000 0.206 259 L C 2.564 179.615 176.870 0.301 0.000 1.074 259 L CA 1.990 56.957 54.840 0.212 0.000 0.745 259 L CB -0.712 41.432 42.059 0.141 0.000 0.898 259 L HN 0.138 nan 8.230 nan 0.000 0.433 260 A N -0.974 122.014 122.820 0.280 0.000 2.070 260 A HA 0.230 4.547 4.320 -0.006 0.000 0.220 260 A C 1.712 179.298 177.584 0.003 0.000 1.159 260 A CA 1.117 53.145 52.037 -0.015 0.000 0.656 260 A CB -0.919 17.950 19.000 -0.219 0.000 0.800 260 A HN 0.960 nan 8.150 nan 0.000 0.453 261 G N -1.464 107.377 108.800 0.069 0.000 2.141 261 G HA2 -0.137 3.820 3.960 -0.006 0.000 0.164 261 G HA3 -0.137 3.820 3.960 -0.006 0.000 0.164 261 G C -0.042 174.905 174.900 0.079 0.000 1.009 261 G CA -0.127 45.017 45.100 0.072 0.000 0.677 261 G HN 0.394 nan 8.290 nan 0.000 0.508 262 I N 1.726 122.356 120.570 0.100 0.000 2.533 262 I HA 0.421 4.588 4.170 -0.006 0.000 0.284 262 I C 1.287 177.556 176.117 0.253 0.000 1.109 262 I CA 0.072 61.444 61.300 0.120 0.000 1.412 262 I CB 1.205 39.196 38.000 -0.015 0.000 1.396 262 I HN 0.370 nan 8.210 nan 0.000 0.543 263 A N 5.602 128.540 122.820 0.197 0.000 2.488 263 A HA 0.360 4.677 4.320 -0.006 0.000 0.249 263 A C 1.189 178.926 177.584 0.255 0.000 1.083 263 A CA 0.036 52.178 52.037 0.176 0.000 0.768 263 A CB 0.350 19.416 19.000 0.111 0.000 1.017 263 A HN 0.857 nan 8.150 nan 0.000 0.496 264 V N 1.921 121.891 119.914 0.093 0.000 3.186 264 V HA -0.163 3.954 4.120 -0.006 0.000 0.270 264 V C 1.398 177.502 176.094 0.017 0.000 1.149 264 V CA 2.682 64.918 62.300 -0.107 0.000 1.160 264 V CB -1.057 30.657 31.823 -0.181 0.000 0.758 264 V HN 0.995 nan 8.190 nan 0.000 0.516 265 D N -1.583 118.879 120.400 0.103 0.000 2.349 265 D HA 0.006 4.643 4.640 -0.006 0.000 0.214 265 D C 0.846 177.238 176.300 0.152 0.000 1.063 265 D CA -0.249 53.814 54.000 0.105 0.000 0.847 265 D CB -0.285 40.557 40.800 0.070 0.000 0.933 265 D HN 0.471 nan 8.370 nan 0.000 0.513 266 N N 0.360 119.198 118.700 0.231 0.000 2.492 266 N HA 0.031 4.767 4.740 -0.006 0.000 0.262 266 N C 1.159 176.793 175.510 0.207 0.000 1.202 266 N CA 0.183 53.347 53.050 0.190 0.000 0.926 266 N CB 1.243 39.816 38.487 0.142 0.000 1.078 266 N HN 0.280 nan 8.380 nan 0.000 0.454 267 L N 4.647 125.942 121.223 0.120 0.000 2.610 267 L HA 0.126 4.463 4.340 -0.006 0.000 0.232 267 L C 2.217 179.138 176.870 0.085 0.000 1.149 267 L CA 0.740 55.645 54.840 0.109 0.000 0.872 267 L CB -1.382 40.723 42.059 0.076 0.000 0.992 267 L HN 0.799 nan 8.230 nan 0.000 0.447 268 I N -1.946 118.640 120.570 0.028 0.000 2.394 268 I HA -0.246 3.921 4.170 -0.006 0.000 0.251 268 I C 2.550 178.633 176.117 -0.058 0.000 1.136 268 I CA 1.381 62.647 61.300 -0.056 0.000 1.425 268 I CB 0.090 38.000 38.000 -0.150 0.000 1.079 268 I HN 0.538 nan 8.210 nan 0.000 0.425 269 Y N 0.677 121.016 120.300 0.065 0.000 2.274 269 Y HA -0.258 4.288 4.550 -0.006 0.000 0.290 269 Y C 2.894 178.909 175.900 0.192 0.000 1.145 269 Y CA 1.472 59.642 58.100 0.115 0.000 1.203 269 Y CB -0.801 37.728 38.460 0.115 0.000 0.984 269 Y HN -0.016 nan 8.280 nan 0.000 0.533 270 K N 0.538 121.098 120.400 0.267 0.000 2.062 270 K HA -0.110 4.207 4.320 -0.006 0.000 0.205 270 K C 1.963 178.628 176.600 0.109 0.000 1.051 270 K CA 1.446 57.835 56.287 0.171 0.000 0.941 270 K CB -0.293 32.278 32.500 0.117 0.000 0.719 270 K HN 0.397 nan 8.250 nan 0.000 0.440 271 K N 0.214 120.661 120.400 0.078 0.000 2.032 271 K HA -0.031 4.285 4.320 -0.006 0.000 0.209 271 K C 2.130 178.748 176.600 0.030 0.000 1.048 271 K CA 1.784 58.089 56.287 0.030 0.000 0.927 271 K CB -0.309 32.195 32.500 0.006 0.000 0.712 271 K HN 0.165 nan 8.250 nan 0.000 0.441 272 I N 1.653 122.263 120.570 0.067 0.000 2.208 272 I HA -0.276 3.891 4.170 -0.006 0.000 0.245 272 I C 2.373 178.617 176.117 0.213 0.000 1.097 272 I CA 1.593 62.954 61.300 0.102 0.000 1.363 272 I CB -0.897 37.149 38.000 0.077 0.000 1.051 272 I HN 0.341 nan 8.210 nan 0.000 0.413 273 E N 0.743 121.116 120.200 0.289 0.000 2.051 273 E HA -0.246 4.101 4.350 -0.006 0.000 0.192 273 E C 1.700 178.236 176.600 -0.107 0.000 0.991 273 E CA 1.509 57.924 56.400 0.025 0.000 0.799 273 E CB 0.138 29.728 29.700 -0.183 0.000 0.748 273 E HN 0.409 nan 8.360 nan 0.000 0.449 274 D N 0.355 120.722 120.400 -0.055 0.000 2.117 274 D HA -0.167 4.470 4.640 -0.006 0.000 0.197 274 D C 2.016 178.254 176.300 -0.104 0.000 0.987 274 D CA 0.966 54.918 54.000 -0.080 0.000 0.829 274 D CB -0.249 40.522 40.800 -0.048 0.000 0.961 274 D HN 0.308 nan 8.370 nan 0.000 0.460 275 I N 0.892 121.407 120.570 -0.092 0.000 2.226 275 I HA -0.245 3.922 4.170 -0.006 0.000 0.245 275 I C 2.354 178.357 176.117 -0.190 0.000 1.100 275 I CA 0.834 62.051 61.300 -0.139 0.000 1.374 275 I CB -0.209 37.715 38.000 -0.126 0.000 1.057 275 I HN -0.121 nan 8.210 nan 0.000 0.413 276 S N 0.535 116.160 115.700 -0.124 0.000 2.374 276 S HA -0.186 4.281 4.470 -0.006 0.000 0.227 276 S C 2.001 176.457 174.600 -0.240 0.000 1.037 276 S CA 1.374 59.496 58.200 -0.129 0.000 1.024 276 S CB -0.206 63.028 63.200 0.057 0.000 0.861 276 S HN 0.313 nan 8.310 nan 0.000 0.456 277 M N 0.977 120.426 119.600 -0.252 0.000 2.132 277 M HA 0.070 4.547 4.480 -0.006 0.000 0.263 277 M C 2.077 178.285 176.300 -0.152 0.000 1.065 277 M CA 1.206 56.370 55.300 -0.227 0.000 1.122 277 M CB -1.635 30.839 32.600 -0.210 0.000 1.365 277 M HN 0.279 nan 8.290 nan 0.000 0.411 278 L N -0.821 120.304 121.223 -0.164 0.000 2.017 278 L HA -0.203 4.134 4.340 -0.006 0.000 0.208 278 L C 2.581 179.342 176.870 -0.182 0.000 1.073 278 L CA 1.175 55.929 54.840 -0.142 0.000 0.745 278 L CB -0.560 41.394 42.059 -0.175 0.000 0.894 278 L HN 0.291 nan 8.230 nan 0.000 0.432 279 M N -0.739 118.632 119.600 -0.382 0.000 2.200 279 M HA -0.079 4.398 4.480 -0.006 0.000 0.265 279 M C 2.295 178.235 176.300 -0.599 0.000 1.066 279 M CA 1.617 56.530 55.300 -0.644 0.000 1.127 279 M CB -0.709 31.202 32.600 -1.148 0.000 1.379 279 M HN 0.348 nan 8.290 nan 0.000 0.420 280 G N 0.066 108.608 108.800 -0.430 0.000 2.418 280 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.217 280 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.217 280 G C 1.378 176.399 174.900 0.202 0.000 1.158 280 G CA 0.850 45.983 45.100 0.055 0.000 0.771 280 G HN 0.540 nan 8.290 nan 0.000 0.545 281 E N -0.654 119.627 120.200 0.136 0.000 2.072 281 E HA -0.150 4.196 4.350 -0.006 0.000 0.190 281 E C 2.042 178.841 176.600 0.331 0.000 0.982 281 E CA 0.536 57.059 56.400 0.205 0.000 0.803 281 E CB -0.292 29.518 29.700 0.182 0.000 0.755 281 E HN 0.514 nan 8.360 nan 0.000 0.453 282 Y N 0.140 120.571 120.300 0.219 0.000 2.165 282 Y HA -0.268 4.279 4.550 -0.005 0.000 0.286 282 Y C 1.995 178.152 175.900 0.429 0.000 1.155 282 Y CA 2.077 60.366 58.100 0.315 0.000 1.164 282 Y CB -0.389 38.132 38.460 0.103 0.000 0.978 282 Y HN 0.152 nan 8.280 nan 0.000 0.513 283 F N 0.930 121.080 119.950 0.333 0.000 2.206 283 F HA -0.114 4.410 4.527 -0.006 0.000 0.298 283 F C 2.371 178.335 175.800 0.274 0.000 1.090 283 F CA 1.904 60.131 58.000 0.379 0.000 1.323 283 F CB -0.667 38.674 39.000 0.570 0.000 1.028 283 F HN 0.167 nan 8.300 nan 0.000 0.492 284 Q N 0.631 120.554 119.800 0.205 0.000 2.123 284 Q HA -0.061 4.275 4.340 -0.006 0.000 0.199 284 Q C 2.063 178.115 176.000 0.086 0.000 0.966 284 Q CA 1.854 57.703 55.803 0.077 0.000 0.845 284 Q CB -0.456 28.360 28.738 0.130 0.000 0.907 284 Q HN 0.576 nan 8.270 nan 0.000 0.439 285 I N 0.047 120.688 120.570 0.117 0.000 2.226 285 I HA -0.290 3.877 4.170 -0.006 0.000 0.245 285 I C 2.488 178.502 176.117 -0.171 0.000 1.100 285 I CA 1.430 62.713 61.300 -0.028 0.000 1.374 285 I CB -0.534 37.238 38.000 -0.380 0.000 1.057 285 I HN 0.430 nan 8.210 nan 0.000 0.413 286 H N 0.919 119.823 119.070 -0.277 0.000 2.353 286 H HA -0.244 4.309 4.556 -0.006 0.000 0.300 286 H C 1.767 176.853 175.328 -0.404 0.000 1.090 286 H CA 2.375 58.087 56.048 -0.560 0.000 1.327 286 H CB -0.035 29.245 29.762 -0.804 0.000 1.383 286 H HN 0.339 nan 8.280 nan 0.000 0.508 287 D N 0.079 120.282 120.400 -0.329 0.000 2.104 287 D HA -0.149 4.488 4.640 -0.006 0.000 0.194 287 D C 1.654 177.840 176.300 -0.189 0.000 0.994 287 D CA 1.687 55.516 54.000 -0.286 0.000 0.830 287 D CB -0.233 40.418 40.800 -0.247 0.000 0.959 287 D HN 0.343 nan 8.370 nan 0.000 0.452 288 D N -1.226 119.128 120.400 -0.076 0.000 2.178 288 D HA -0.179 4.457 4.640 -0.006 0.000 0.201 288 D C 1.638 177.924 176.300 -0.023 0.000 0.980 288 D CA 0.700 54.711 54.000 0.017 0.000 0.842 288 D CB -0.466 40.427 40.800 0.155 0.000 0.948 288 D HN 0.428 nan 8.370 nan 0.000 0.472 289 Y N 0.993 121.129 120.300 -0.273 0.000 2.200 289 Y HA -0.059 4.488 4.550 -0.005 0.000 0.290 289 Y C 1.941 177.733 175.900 -0.180 0.000 1.137 289 Y CA 1.187 59.114 58.100 -0.288 0.000 1.163 289 Y CB -0.290 37.606 38.460 -0.939 0.000 0.988 289 Y HN -0.084 nan 8.280 nan 0.000 0.518 290 L N 0.264 121.226 121.223 -0.434 0.000 2.217 290 L HA -0.178 4.158 4.340 -0.006 0.000 0.211 290 L C 2.355 179.064 176.870 -0.268 0.000 1.107 290 L CA 1.447 56.041 54.840 -0.410 0.000 0.783 290 L CB -0.664 41.174 42.059 -0.368 0.000 0.919 290 L HN 0.352 nan 8.230 nan 0.000 0.442 291 D N 0.620 120.901 120.400 -0.198 0.000 2.158 291 D HA -0.194 4.442 4.640 -0.006 0.000 0.197 291 D C 1.950 178.142 176.300 -0.180 0.000 0.995 291 D CA 2.007 55.927 54.000 -0.133 0.000 0.846 291 D CB 0.355 41.117 40.800 -0.062 0.000 0.941 291 D HN 0.270 nan 8.370 nan 0.000 0.456 292 I N -1.969 118.428 120.570 -0.287 0.000 2.927 292 I HA 0.100 4.267 4.170 -0.006 0.000 0.268 292 I C 1.884 177.588 176.117 -0.689 0.000 1.153 292 I CA 0.140 61.144 61.300 -0.495 0.000 1.459 292 I CB -1.445 36.165 38.000 -0.651 0.000 1.149 292 I HN -0.022 nan 8.210 nan 0.000 0.443 293 F N 1.693 121.396 119.950 -0.411 0.000 2.721 293 F HA 0.622 5.147 4.527 -0.004 0.000 0.301 293 F C 1.854 177.452 175.800 -0.337 0.000 1.096 293 F CA 0.034 57.771 58.000 -0.440 0.000 1.308 293 F CB -0.351 38.179 39.000 -0.782 0.000 1.086 293 F HN 0.195 nan 8.300 nan 0.000 0.587 294 G N -0.153 108.536 108.800 -0.185 0.000 2.599 294 G HA2 0.194 4.150 3.960 -0.006 0.000 0.264 294 G HA3 0.194 4.150 3.960 -0.006 0.000 0.264 294 G C -1.306 173.557 174.900 -0.061 0.000 1.200 294 G CA -0.232 44.800 45.100 -0.112 0.000 0.896 294 G HN 0.037 nan 8.290 nan 0.000 0.536 295 D N -1.169 119.215 120.400 -0.027 0.000 2.329 295 D HA 0.225 4.862 4.640 -0.006 0.000 0.232 295 D C 1.665 177.958 176.300 -0.012 0.000 1.088 295 D CA -0.110 53.883 54.000 -0.012 0.000 0.835 295 D CB 1.400 42.205 40.800 0.008 0.000 1.078 295 D HN 0.202 nan 8.370 nan 0.000 0.495 296 S N 1.939 117.629 115.700 -0.016 0.000 2.440 296 S HA -0.232 4.234 4.470 -0.006 0.000 0.238 296 S C 1.757 176.355 174.600 -0.003 0.000 1.010 296 S CA 1.697 59.891 58.200 -0.011 0.000 0.972 296 S CB -0.763 62.431 63.200 -0.010 0.000 0.774 296 S HN 0.600 nan 8.310 nan 0.000 0.501 297 T N -0.954 113.599 114.554 -0.002 0.000 3.023 297 T HA 0.153 4.499 4.350 -0.006 0.000 0.266 297 T C 1.568 176.274 174.700 0.009 0.000 1.093 297 T CA 0.684 62.784 62.100 -0.000 0.000 1.129 297 T CB -0.245 68.623 68.868 -0.000 0.000 0.899 297 T HN 0.536 nan 8.240 nan 0.000 0.491 298 K N 0.956 121.366 120.400 0.016 0.000 2.141 298 K HA 0.067 4.384 4.320 -0.006 0.000 0.202 298 K C 2.807 179.429 176.600 0.037 0.000 1.045 298 K CA 1.301 57.606 56.287 0.030 0.000 0.971 298 K CB -0.222 32.301 32.500 0.039 0.000 0.795 298 K HN 0.506 nan 8.250 nan 0.000 0.459 299 T N -1.835 112.734 114.554 0.026 0.000 2.915 299 T HA 0.012 4.359 4.350 -0.006 0.000 0.269 299 T C 1.615 176.335 174.700 0.033 0.000 1.071 299 T CA 1.088 63.206 62.100 0.030 0.000 1.132 299 T CB -0.202 68.666 68.868 0.000 0.000 0.878 299 T HN 0.387 nan 8.240 nan 0.000 0.479 300 G N 1.848 110.661 108.800 0.020 0.000 2.157 300 G HA2 -0.222 3.734 3.960 -0.006 0.000 0.248 300 G HA3 -0.222 3.734 3.960 -0.006 0.000 0.248 300 G C -0.075 174.839 174.900 0.023 0.000 0.979 300 G CA 0.417 45.527 45.100 0.017 0.000 0.650 300 G HN 1.018 nan 8.290 nan 0.000 0.529 301 K N -1.495 118.920 120.400 0.025 0.000 2.555 301 K HA 0.784 5.101 4.320 -0.006 0.000 0.279 301 K C -1.115 175.498 176.600 0.022 0.000 0.986 301 K CA -1.152 55.157 56.287 0.038 0.000 0.880 301 K CB 2.223 34.753 32.500 0.049 0.000 1.474 301 K HN 0.267 nan 8.250 nan 0.000 0.433 302 V N 1.066 120.998 119.914 0.031 0.000 2.459 302 V HA 0.432 4.548 4.120 -0.006 0.000 0.295 302 V C 0.527 176.623 176.094 0.003 0.000 1.029 302 V CA -0.563 61.745 62.300 0.014 0.000 0.874 302 V CB 1.479 33.319 31.823 0.029 0.000 0.985 302 V HN 0.912 nan 8.190 nan 0.000 0.438 303 G N 2.683 111.468 108.800 -0.025 0.000 2.353 303 G HA2 0.356 4.312 3.960 -0.006 0.000 0.239 303 G HA3 0.356 4.312 3.960 -0.006 0.000 0.239 303 G C 0.649 175.532 174.900 -0.030 0.000 1.295 303 G CA 0.524 45.600 45.100 -0.040 0.000 0.884 303 G HN 1.140 nan 8.290 nan 0.000 0.537 304 S N -0.157 115.530 115.700 -0.022 0.000 2.800 304 S HA 0.080 4.546 4.470 -0.006 0.000 0.266 304 S C 0.696 175.276 174.600 -0.033 0.000 1.029 304 S CA 0.032 58.219 58.200 -0.022 0.000 1.302 304 S CB 0.576 63.780 63.200 0.005 0.000 1.212 304 S HN 0.388 nan 8.310 nan 0.000 0.683 305 D N 2.503 122.893 120.400 -0.018 0.000 2.178 305 D HA 0.124 4.761 4.640 -0.006 0.000 0.202 305 D C 1.656 177.911 176.300 -0.077 0.000 0.974 305 D CA 0.865 54.874 54.000 0.015 0.000 0.841 305 D CB -0.158 40.696 40.800 0.089 0.000 0.953 305 D HN 0.452 nan 8.370 nan 0.000 0.478 306 I N 1.324 121.776 120.570 -0.197 0.000 2.110 306 I HA -0.281 3.885 4.170 -0.006 0.000 0.236 306 I C 2.706 178.485 176.117 -0.562 0.000 1.068 306 I CA 1.091 62.027 61.300 -0.607 0.000 1.333 306 I CB -0.418 37.342 38.000 -0.400 0.000 1.054 306 I HN 0.025 nan 8.210 nan 0.000 0.402 307 Q N 0.549 120.179 119.800 -0.282 0.000 2.170 307 Q HA -0.208 4.129 4.340 -0.006 0.000 0.203 307 Q C 1.118 177.047 176.000 -0.119 0.000 0.976 307 Q CA 1.578 57.272 55.803 -0.182 0.000 0.858 307 Q CB -0.518 28.154 28.738 -0.110 0.000 0.907 307 Q HN 0.441 nan 8.270 nan 0.000 0.433 308 N N 1.242 119.892 118.700 -0.084 0.000 2.383 308 N HA -0.016 4.720 4.740 -0.006 0.000 0.192 308 N C -0.517 175.015 175.510 0.037 0.000 1.141 308 N CA 0.443 53.484 53.050 -0.016 0.000 0.851 308 N CB -0.121 38.368 38.487 0.003 0.000 0.976 308 N HN 0.364 nan 8.380 nan 0.000 0.465 309 N N 0.615 119.335 118.700 0.034 0.000 2.756 309 N HA -0.169 4.568 4.740 -0.006 0.000 0.248 309 N C -1.164 174.613 175.510 0.445 0.000 1.062 309 N CA 0.535 53.748 53.050 0.271 0.000 0.696 309 N CB -0.550 38.080 38.487 0.239 0.000 0.946 309 N HN 0.017 nan 8.380 nan 0.000 0.548 310 K N 0.306 120.938 120.400 0.387 0.000 2.118 310 K HA 0.405 4.721 4.320 -0.006 0.000 0.264 310 K C 0.063 176.837 176.600 0.290 0.000 1.000 310 K CA -0.807 55.629 56.287 0.247 0.000 0.929 310 K CB 0.908 33.510 32.500 0.170 0.000 1.021 310 K HN 0.253 nan 8.250 nan 0.000 0.463 311 L N 2.169 123.392 121.223 -0.001 0.000 2.270 311 L HA 0.226 4.562 4.340 -0.006 0.000 0.286 311 L C -0.278 176.718 176.870 0.210 0.000 1.059 311 L CA 0.245 55.079 54.840 -0.010 0.000 0.839 311 L CB 0.240 42.114 42.059 -0.308 0.000 1.221 311 L HN 0.755 nan 8.230 nan 0.000 0.431 312 T N -0.260 114.400 114.554 0.178 0.000 2.930 312 T HA 0.217 4.564 4.350 -0.006 0.000 0.290 312 T C 0.521 175.155 174.700 -0.109 0.000 1.052 312 T CA -0.561 61.665 62.100 0.211 0.000 1.017 312 T CB 0.752 69.749 68.868 0.214 0.000 1.137 312 T HN 0.690 nan 8.240 nan 0.000 0.511 313 W N 1.571 122.611 121.300 -0.433 0.000 2.335 313 W HA 0.049 4.705 4.660 -0.007 0.000 0.311 313 W C -1.476 174.929 176.519 -0.190 0.000 1.213 313 W CA 1.606 58.664 57.345 -0.478 0.000 1.274 313 W CB -1.342 27.880 29.460 -0.397 0.000 1.148 313 W HN 0.613 nan 8.180 nan 0.000 0.498 314 P HA -0.256 nan 4.420 nan 0.000 0.216 314 P C 1.795 178.873 177.300 -0.371 0.000 1.153 314 P CA 1.948 64.863 63.100 -0.308 0.000 0.858 314 P CB -0.450 30.985 31.700 -0.442 0.000 0.789 315 L N -0.909 120.228 121.223 -0.144 0.000 2.017 315 L HA -0.148 4.189 4.340 -0.006 0.000 0.208 315 L C 2.210 178.946 176.870 -0.223 0.000 1.073 315 L CA 1.835 56.638 54.840 -0.062 0.000 0.745 315 L CB -1.162 40.830 42.059 -0.113 0.000 0.894 315 L HN -0.134 nan 8.230 nan 0.000 0.432 316 I N -0.728 119.595 120.570 -0.412 0.000 2.202 316 I HA -0.253 3.914 4.170 -0.006 0.000 0.242 316 I C 2.480 178.232 176.117 -0.607 0.000 1.091 316 I CA 1.252 62.175 61.300 -0.628 0.000 1.368 316 I CB -0.399 36.953 38.000 -1.080 0.000 1.058 316 I HN 0.183 nan 8.210 nan 0.000 0.410 317 K N 0.949 120.951 120.400 -0.664 0.000 2.074 317 K HA -0.177 4.139 4.320 -0.006 0.000 0.209 317 K C 1.995 178.369 176.600 -0.377 0.000 1.048 317 K CA 2.076 58.024 56.287 -0.564 0.000 0.926 317 K CB -0.545 31.334 32.500 -1.034 0.000 0.713 317 K HN 0.227 nan 8.250 nan 0.000 0.444 318 T N -0.064 114.326 114.554 -0.273 0.000 2.833 318 T HA -0.087 4.260 4.350 -0.006 0.000 0.269 318 T C 1.462 176.012 174.700 -0.251 0.000 1.054 318 T CA 1.231 63.221 62.100 -0.183 0.000 1.135 318 T CB -0.344 68.581 68.868 0.095 0.000 0.869 318 T HN 0.131 nan 8.240 nan 0.000 0.466 319 F N 1.420 121.172 119.950 -0.330 0.000 2.293 319 F HA 0.086 4.610 4.527 -0.006 0.000 0.297 319 F C 2.440 178.067 175.800 -0.287 0.000 1.089 319 F CA 0.740 58.559 58.000 -0.301 0.000 1.377 319 F CB -0.097 38.731 39.000 -0.287 0.000 1.051 319 F HN 0.154 nan 8.300 nan 0.000 0.511 320 E N 0.039 120.149 120.200 -0.150 0.000 2.204 320 E HA -0.192 4.154 4.350 -0.006 0.000 0.195 320 E C 1.812 178.305 176.600 -0.177 0.000 0.990 320 E CA 1.264 57.572 56.400 -0.154 0.000 0.821 320 E CB -0.050 29.565 29.700 -0.141 0.000 0.750 320 E HN 0.439 nan 8.360 nan 0.000 0.477 321 L N 0.221 121.285 121.223 -0.265 0.000 2.609 321 L HA 0.178 4.515 4.340 -0.006 0.000 0.230 321 L C 1.390 178.045 176.870 -0.357 0.000 1.064 321 L CA -0.184 54.511 54.840 -0.242 0.000 0.873 321 L CB 0.441 42.374 42.059 -0.211 0.000 1.139 321 L HN 0.233 nan 8.230 nan 0.000 0.490 322 C N 0.332 119.243 119.300 -0.648 0.000 2.520 322 C HA 0.538 4.994 4.460 -0.006 0.000 0.376 322 C C 1.476 176.254 174.990 -0.353 0.000 1.268 322 C CA -1.321 57.184 59.018 -0.854 0.000 2.414 322 C CB 0.676 27.781 27.740 -1.058 0.000 2.521 322 C HN 0.435 nan 8.230 nan 0.000 0.618 323 S N 1.010 116.634 115.700 -0.126 0.000 2.580 323 S HA 0.100 4.567 4.470 -0.006 0.000 0.266 323 S C 0.809 175.315 174.600 -0.156 0.000 1.354 323 S CA 0.544 58.703 58.200 -0.069 0.000 1.008 323 S CB 0.533 63.750 63.200 0.030 0.000 0.898 323 S HN 0.913 nan 8.310 nan 0.000 0.555 324 E N 1.464 121.589 120.200 -0.124 0.000 2.072 324 E HA 0.050 4.397 4.350 -0.006 0.000 0.191 324 E C -0.898 175.623 176.600 -0.131 0.000 0.985 324 E CA 1.318 57.630 56.400 -0.147 0.000 0.801 324 E CB -1.436 28.204 29.700 -0.099 0.000 0.750 324 E HN 0.659 nan 8.360 nan 0.000 0.452 325 P HA -0.086 nan 4.420 nan 0.000 0.220 325 P C 0.386 177.644 177.300 -0.070 0.000 1.148 325 P CA 1.205 64.268 63.100 -0.061 0.000 0.803 325 P CB 0.082 31.763 31.700 -0.032 0.000 0.782 326 D N -0.588 119.760 120.400 -0.087 0.000 2.183 326 D HA -0.079 4.557 4.640 -0.006 0.000 0.203 326 D C 1.749 177.942 176.300 -0.177 0.000 0.969 326 D CA 0.906 54.855 54.000 -0.084 0.000 0.842 326 D CB -0.218 40.569 40.800 -0.022 0.000 0.957 326 D HN 0.213 nan 8.370 nan 0.000 0.484 327 K N 0.543 120.749 120.400 -0.323 0.000 2.032 327 K HA -0.106 4.210 4.320 -0.006 0.000 0.209 327 K C 2.061 178.583 176.600 -0.130 0.000 1.048 327 K CA 0.756 56.782 56.287 -0.436 0.000 0.927 327 K CB -0.004 32.122 32.500 -0.623 0.000 0.712 327 K HN 0.111 nan 8.250 nan 0.000 0.441 328 I N 1.474 121.986 120.570 -0.097 0.000 2.335 328 I HA -0.256 3.911 4.170 -0.006 0.000 0.251 328 I C 2.227 178.331 176.117 -0.021 0.000 1.129 328 I CA 1.506 62.782 61.300 -0.040 0.000 1.402 328 I CB -0.777 37.199 38.000 -0.040 0.000 1.069 328 I HN 0.182 nan 8.210 nan 0.000 0.424 329 K N 1.161 121.544 120.400 -0.028 0.000 2.116 329 K HA -0.012 4.304 4.320 -0.006 0.000 0.203 329 K C 2.110 178.719 176.600 0.015 0.000 1.052 329 K CA 0.774 57.056 56.287 -0.009 0.000 0.952 329 K CB 0.036 32.531 32.500 -0.010 0.000 0.729 329 K HN 0.175 nan 8.250 nan 0.000 0.446 330 I N 0.153 120.740 120.570 0.028 0.000 2.286 330 I HA -0.231 3.935 4.170 -0.006 0.000 0.245 330 I C 1.906 178.072 176.117 0.081 0.000 1.104 330 I CA 0.644 61.994 61.300 0.083 0.000 1.397 330 I CB -0.074 38.014 38.000 0.147 0.000 1.072 330 I HN -0.064 nan 8.210 nan 0.000 0.417 331 V N 1.358 121.307 119.914 0.059 0.000 2.287 331 V HA -0.344 3.773 4.120 -0.006 0.000 0.248 331 V C 3.029 179.132 176.094 0.015 0.000 1.053 331 V CA 2.617 64.926 62.300 0.015 0.000 1.027 331 V CB -1.444 30.383 31.823 0.007 0.000 0.646 331 V HN 0.549 nan 8.190 nan 0.000 0.447 332 K N 0.136 120.545 120.400 0.015 0.000 2.063 332 K HA -0.204 4.113 4.320 -0.006 0.000 0.208 332 K C 1.746 178.356 176.600 0.018 0.000 1.048 332 K CA 2.079 58.372 56.287 0.009 0.000 0.928 332 K CB -0.718 31.783 32.500 0.002 0.000 0.713 332 K HN 0.671 nan 8.250 nan 0.000 0.442 333 N N -2.050 116.672 118.700 0.037 0.000 2.348 333 N HA 0.075 4.812 4.740 -0.006 0.000 0.183 333 N C -0.291 175.247 175.510 0.047 0.000 1.094 333 N CA -0.249 52.818 53.050 0.027 0.000 0.885 333 N CB 0.392 38.886 38.487 0.012 0.000 1.065 333 N HN 0.481 nan 8.380 nan 0.000 0.472 334 Y N 1.293 121.568 120.300 -0.041 0.000 2.397 334 Y HA 0.289 4.836 4.550 -0.004 0.000 0.335 334 Y C 1.420 177.305 175.900 -0.026 0.000 1.213 334 Y CA 1.096 59.176 58.100 -0.033 0.000 1.391 334 Y CB 0.710 39.153 38.460 -0.028 0.000 1.293 334 Y HN 0.317 nan 8.280 nan 0.000 0.557 335 G N 3.382 112.035 108.800 -0.245 0.000 2.160 335 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.244 335 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.244 335 G C -0.442 174.417 174.900 -0.070 0.000 1.022 335 G CA -0.016 45.024 45.100 -0.101 0.000 0.741 335 G HN 0.499 nan 8.290 nan 0.000 0.508 336 K N 0.150 120.491 120.400 -0.098 0.000 2.463 336 K HA 0.233 4.549 4.320 -0.006 0.000 0.255 336 K C -0.319 176.238 176.600 -0.072 0.000 0.942 336 K CA -0.784 55.465 56.287 -0.063 0.000 0.814 336 K CB 1.488 33.962 32.500 -0.044 0.000 1.122 336 K HN 0.207 nan 8.250 nan 0.000 0.425 337 N N 4.178 122.847 118.700 -0.052 0.000 2.819 337 N HA -0.042 4.695 4.740 -0.006 0.000 0.284 337 N C -1.020 174.467 175.510 -0.038 0.000 1.196 337 N CA 0.121 53.144 53.050 -0.046 0.000 1.114 337 N CB 0.157 38.626 38.487 -0.030 0.000 1.437 337 N HN 0.526 nan 8.380 nan 0.000 0.518 338 N N 4.291 122.964 118.700 -0.046 0.000 2.493 338 N HA 0.022 4.758 4.740 -0.006 0.000 0.279 338 N C 0.355 175.838 175.510 -0.045 0.000 1.082 338 N CA -0.534 52.493 53.050 -0.038 0.000 0.963 338 N CB 1.386 39.853 38.487 -0.034 0.000 1.627 338 N HN 0.267 nan 8.380 nan 0.000 0.499 339 L N 3.143 124.343 121.223 -0.038 0.000 1.989 339 L HA -0.162 4.175 4.340 -0.006 0.000 0.211 339 L C 2.117 178.961 176.870 -0.043 0.000 1.071 339 L CA 2.530 57.346 54.840 -0.040 0.000 0.749 339 L CB -0.488 41.552 42.059 -0.031 0.000 0.890 339 L HN 0.776 nan 8.230 nan 0.000 0.431 340 A N -1.066 121.733 122.820 -0.035 0.000 1.933 340 A HA -0.247 4.070 4.320 -0.006 0.000 0.218 340 A C 2.364 179.925 177.584 -0.040 0.000 1.175 340 A CA 1.774 53.791 52.037 -0.033 0.000 0.628 340 A CB -1.191 17.794 19.000 -0.025 0.000 0.814 340 A HN 0.658 nan 8.150 nan 0.000 0.444 341 C N -1.396 117.878 119.300 -0.043 0.000 2.432 341 C HA -0.067 4.390 4.460 -0.006 0.000 0.277 341 C C 2.744 177.690 174.990 -0.072 0.000 1.249 341 C CA 1.081 60.070 59.018 -0.049 0.000 1.725 341 C CB -1.246 26.465 27.740 -0.048 0.000 2.028 341 C HN 0.469 nan 8.230 nan 0.000 0.477 342 V N 0.956 120.817 119.914 -0.089 0.000 2.343 342 V HA -0.242 3.875 4.120 -0.006 0.000 0.247 342 V C 2.447 178.474 176.094 -0.113 0.000 1.051 342 V CA 1.842 64.071 62.300 -0.117 0.000 1.036 342 V CB -0.647 31.108 31.823 -0.114 0.000 0.654 342 V HN 0.558 nan 8.190 nan 0.000 0.451 343 K N -0.373 119.977 120.400 -0.083 0.000 2.152 343 K HA -0.146 4.170 4.320 -0.006 0.000 0.206 343 K C 2.056 178.611 176.600 -0.075 0.000 1.048 343 K CA 1.289 57.532 56.287 -0.073 0.000 0.933 343 K CB -0.338 32.132 32.500 -0.050 0.000 0.721 343 K HN 0.340 nan 8.250 nan 0.000 0.447 344 V N 1.649 121.521 119.914 -0.070 0.000 2.407 344 V HA -0.244 3.873 4.120 -0.006 0.000 0.248 344 V C 2.120 178.155 176.094 -0.098 0.000 1.055 344 V CA 1.346 63.610 62.300 -0.059 0.000 1.049 344 V CB -0.315 31.485 31.823 -0.037 0.000 0.662 344 V HN 0.263 nan 8.190 nan 0.000 0.455 345 I N -0.159 120.318 120.570 -0.156 0.000 2.233 345 I HA -0.124 4.043 4.170 -0.006 0.000 0.243 345 I C 2.297 178.110 176.117 -0.507 0.000 1.093 345 I CA 1.295 62.404 61.300 -0.318 0.000 1.380 345 I CB -1.429 36.409 38.000 -0.269 0.000 1.067 345 I HN 0.310 nan 8.210 nan 0.000 0.413 346 D N 1.198 121.412 120.400 -0.311 0.000 2.133 346 D HA -0.162 4.475 4.640 -0.006 0.000 0.195 346 D C 2.331 178.588 176.300 -0.071 0.000 0.997 346 D CA 2.011 55.893 54.000 -0.196 0.000 0.840 346 D CB -0.073 40.653 40.800 -0.123 0.000 0.947 346 D HN 0.403 nan 8.370 nan 0.000 0.452 347 S N -0.318 115.347 115.700 -0.059 0.000 2.470 347 S HA 0.015 4.481 4.470 -0.006 0.000 0.225 347 S C 2.206 176.840 174.600 0.058 0.000 1.006 347 S CA 0.097 58.305 58.200 0.014 0.000 0.934 347 S CB -0.376 62.823 63.200 -0.002 0.000 0.778 347 S HN 0.190 nan 8.310 nan 0.000 0.517 348 L N -0.191 121.054 121.223 0.037 0.000 2.109 348 L HA 0.021 4.357 4.340 -0.006 0.000 0.207 348 L C 2.434 179.533 176.870 0.382 0.000 1.086 348 L CA 1.296 56.245 54.840 0.182 0.000 0.760 348 L CB -0.583 41.549 42.059 0.122 0.000 0.910 348 L HN 0.358 nan 8.230 nan 0.000 0.437 349 Y N -0.279 120.155 120.300 0.223 0.000 2.293 349 Y HA -0.262 4.284 4.550 -0.006 0.000 0.291 349 Y C 2.696 178.783 175.900 0.311 0.000 1.137 349 Y CA 0.736 59.005 58.100 0.283 0.000 1.202 349 Y CB -0.004 38.606 38.460 0.250 0.000 0.990 349 Y HN 0.293 nan 8.280 nan 0.000 0.537 350 E N 0.990 121.410 120.200 0.366 0.000 2.072 350 E HA -0.283 4.064 4.350 -0.006 0.000 0.191 350 E C 2.201 178.896 176.600 0.159 0.000 0.985 350 E CA 1.111 57.667 56.400 0.260 0.000 0.801 350 E CB -0.090 29.711 29.700 0.169 0.000 0.750 350 E HN 0.504 nan 8.360 nan 0.000 0.452 351 Q N -0.644 119.208 119.800 0.087 0.000 2.119 351 Q HA -0.173 4.164 4.340 -0.006 0.000 0.201 351 Q C 0.979 176.835 176.000 -0.241 0.000 0.972 351 Q CA 1.405 57.133 55.803 -0.124 0.000 0.847 351 Q CB -0.045 28.552 28.738 -0.234 0.000 0.903 351 Q HN 0.433 nan 8.270 nan 0.000 0.433 352 Y N 0.542 120.946 120.300 0.173 0.000 2.461 352 Y HA 0.226 4.772 4.550 -0.006 0.000 0.277 352 Y C -0.242 175.818 175.900 0.265 0.000 1.182 352 Y CA -0.050 58.157 58.100 0.179 0.000 1.276 352 Y CB 0.549 39.089 38.460 0.133 0.000 1.087 352 Y HN -0.016 nan 8.280 nan 0.000 0.519 353 K N -0.007 120.583 120.400 0.317 0.000 3.244 353 K HA -0.224 4.093 4.320 -0.006 0.000 0.270 353 K C 0.415 177.247 176.600 0.388 0.000 1.016 353 K CA 0.071 56.521 56.287 0.272 0.000 0.754 353 K CB -1.408 31.189 32.500 0.163 0.000 1.326 353 K HN 0.348 nan 8.250 nan 0.000 0.465 354 I N 0.121 120.938 120.570 0.412 0.000 2.394 354 I HA -0.178 3.989 4.170 -0.006 0.000 0.251 354 I C 2.591 178.923 176.117 0.357 0.000 1.136 354 I CA 1.247 62.809 61.300 0.437 0.000 1.425 354 I CB -0.566 37.659 38.000 0.374 0.000 1.079 354 I HN 0.364 nan 8.210 nan 0.000 0.425 355 R N 1.181 121.716 120.500 0.059 0.000 2.091 355 R HA -0.208 4.128 4.340 -0.006 0.000 0.238 355 R C 2.245 178.574 176.300 0.048 0.000 1.136 355 R CA 1.712 57.751 56.100 -0.101 0.000 0.959 355 R CB 0.048 30.170 30.300 -0.297 0.000 0.856 355 R HN 0.235 nan 8.270 nan 0.000 0.437 356 K N -1.165 119.261 120.400 0.042 0.000 2.057 356 K HA -0.099 4.218 4.320 -0.006 0.000 0.206 356 K C 2.108 178.688 176.600 -0.033 0.000 1.050 356 K CA 1.305 57.569 56.287 -0.040 0.000 0.935 356 K CB -0.168 32.263 32.500 -0.115 0.000 0.715 356 K HN 0.313 nan 8.250 nan 0.000 0.439 357 H N -0.987 118.200 119.070 0.194 0.000 2.387 357 H HA -0.157 4.395 4.556 -0.006 0.000 0.299 357 H C 1.953 177.495 175.328 0.358 0.000 1.090 357 H CA 1.624 57.854 56.048 0.304 0.000 1.332 357 H CB -0.233 29.752 29.762 0.372 0.000 1.386 357 H HN 0.250 nan 8.280 nan 0.000 0.516 358 Y N 2.104 122.583 120.300 0.297 0.000 2.114 358 Y HA -0.217 4.330 4.550 -0.005 0.000 0.284 358 Y C 2.277 178.043 175.900 -0.224 0.000 1.143 358 Y CA 1.779 59.733 58.100 -0.243 0.000 1.135 358 Y CB -0.249 37.922 38.460 -0.481 0.000 0.980 358 Y HN 0.093 nan 8.280 nan 0.000 0.499 359 E N -0.585 119.354 120.200 -0.436 0.000 2.204 359 E HA -0.188 4.159 4.350 -0.006 0.000 0.195 359 E C 2.319 178.733 176.600 -0.310 0.000 0.990 359 E CA 1.415 57.566 56.400 -0.415 0.000 0.821 359 E CB -0.218 29.380 29.700 -0.170 0.000 0.750 359 E HN 0.512 nan 8.360 nan 0.000 0.477 360 S N -0.608 114.979 115.700 -0.189 0.000 2.478 360 S HA -0.112 4.354 4.470 -0.006 0.000 0.222 360 S C 1.905 176.439 174.600 -0.109 0.000 1.008 360 S CA 0.076 58.209 58.200 -0.112 0.000 0.928 360 S CB -0.186 62.994 63.200 -0.034 0.000 0.781 360 S HN 0.437 nan 8.310 nan 0.000 0.518 361 Y N 2.344 122.490 120.300 -0.257 0.000 2.133 361 Y HA 0.011 4.557 4.550 -0.005 0.000 0.287 361 Y C 2.572 178.272 175.900 -0.334 0.000 1.134 361 Y CA 2.076 60.002 58.100 -0.290 0.000 1.133 361 Y CB -0.596 37.604 38.460 -0.432 0.000 0.987 361 Y HN 0.232 nan 8.280 nan 0.000 0.502 362 E N 1.354 121.152 120.200 -0.670 0.000 2.086 362 E HA -0.318 4.029 4.350 -0.006 0.000 0.200 362 E C 2.219 178.666 176.600 -0.254 0.000 1.012 362 E CA 2.046 58.165 56.400 -0.470 0.000 0.812 362 E CB -0.394 28.967 29.700 -0.565 0.000 0.743 362 E HN 0.588 nan 8.360 nan 0.000 0.453 363 K N 0.120 120.363 120.400 -0.261 0.000 2.026 363 K HA -0.103 4.214 4.320 -0.006 0.000 0.208 363 K C 2.032 178.510 176.600 -0.204 0.000 1.048 363 K CA 1.388 57.566 56.287 -0.181 0.000 0.929 363 K CB -0.231 32.182 32.500 -0.144 0.000 0.713 363 K HN 0.081 nan 8.250 nan 0.000 0.439 364 A N 0.974 123.647 122.820 -0.245 0.000 1.897 364 A HA -0.163 4.154 4.320 -0.006 0.000 0.215 364 A C 2.117 179.529 177.584 -0.288 0.000 1.181 364 A CA 1.503 53.407 52.037 -0.221 0.000 0.620 364 A CB -0.518 18.384 19.000 -0.164 0.000 0.821 364 A HN 0.503 nan 8.150 nan 0.000 0.443 365 Q N 0.202 119.722 119.800 -0.466 0.000 2.083 365 Q HA -0.119 4.217 4.340 -0.006 0.000 0.198 365 Q C 2.034 177.788 176.000 -0.410 0.000 0.969 365 Q CA 2.123 57.647 55.803 -0.464 0.000 0.838 365 Q CB -0.292 27.992 28.738 -0.757 0.000 0.900 365 Q HN 0.624 nan 8.270 nan 0.000 0.436 366 K N -0.619 119.544 120.400 -0.395 0.000 2.074 366 K HA -0.193 4.124 4.320 -0.006 0.000 0.209 366 K C 1.860 178.265 176.600 -0.325 0.000 1.048 366 K CA 1.407 57.426 56.287 -0.447 0.000 0.926 366 K CB -0.334 31.997 32.500 -0.281 0.000 0.713 366 K HN 0.286 nan 8.250 nan 0.000 0.444 367 A N 1.241 123.916 122.820 -0.241 0.000 1.933 367 A HA -0.199 4.118 4.320 -0.006 0.000 0.218 367 A C 2.030 179.504 177.584 -0.184 0.000 1.175 367 A CA 1.774 53.699 52.037 -0.187 0.000 0.628 367 A CB -0.413 18.500 19.000 -0.146 0.000 0.814 367 A HN 0.353 nan 8.150 nan 0.000 0.444 368 K N -0.339 119.941 120.400 -0.199 0.000 2.002 368 K HA -0.091 4.225 4.320 -0.006 0.000 0.209 368 K C 1.788 178.268 176.600 -0.200 0.000 1.048 368 K CA 1.696 57.877 56.287 -0.176 0.000 0.930 368 K CB -0.337 32.062 32.500 -0.168 0.000 0.714 368 K HN 0.517 nan 8.250 nan 0.000 0.438 369 I N 0.750 121.157 120.570 -0.272 0.000 2.208 369 I HA -0.297 3.869 4.170 -0.006 0.000 0.245 369 I C 2.052 178.018 176.117 -0.250 0.000 1.097 369 I CA 0.706 61.827 61.300 -0.299 0.000 1.363 369 I CB -0.197 37.535 38.000 -0.446 0.000 1.051 369 I HN 0.178 nan 8.210 nan 0.000 0.413 370 L N 0.082 121.160 121.223 -0.241 0.000 2.056 370 L HA -0.164 4.172 4.340 -0.006 0.000 0.207 370 L C 2.749 179.524 176.870 -0.158 0.000 1.078 370 L CA 1.677 56.398 54.840 -0.197 0.000 0.749 370 L CB -1.149 40.800 42.059 -0.184 0.000 0.901 370 L HN 0.195 nan 8.230 nan 0.000 0.433 371 S N -0.770 114.843 115.700 -0.146 0.000 2.359 371 S HA -0.233 4.234 4.470 -0.006 0.000 0.224 371 S C 2.153 176.680 174.600 -0.121 0.000 1.035 371 S CA 1.487 59.616 58.200 -0.119 0.000 1.018 371 S CB -0.193 62.944 63.200 -0.105 0.000 0.876 371 S HN 0.482 nan 8.310 nan 0.000 0.448 372 A N 1.171 123.912 122.820 -0.131 0.000 1.898 372 A HA 0.045 4.361 4.320 -0.006 0.000 0.216 372 A C 2.129 179.632 177.584 -0.136 0.000 1.181 372 A CA 1.425 53.388 52.037 -0.123 0.000 0.620 372 A CB -0.763 18.163 19.000 -0.124 0.000 0.819 372 A HN 0.636 nan 8.150 nan 0.000 0.442 373 I N 0.295 120.773 120.570 -0.152 0.000 2.264 373 I HA -0.266 3.900 4.170 -0.006 0.000 0.248 373 I C 1.618 177.643 176.117 -0.153 0.000 1.111 373 I CA 1.148 62.357 61.300 -0.151 0.000 1.382 373 I CB -0.433 37.470 38.000 -0.162 0.000 1.060 373 I HN 0.282 nan 8.210 nan 0.000 0.418 374 N N 0.889 119.497 118.700 -0.154 0.000 2.512 374 N HA -0.120 4.617 4.740 -0.006 0.000 0.183 374 N C 1.164 176.520 175.510 -0.256 0.000 1.073 374 N CA 0.813 53.763 53.050 -0.167 0.000 0.911 374 N CB -0.122 38.290 38.487 -0.126 0.000 0.964 374 N HN 0.508 nan 8.380 nan 0.000 0.447 375 E N -0.178 119.872 120.200 -0.251 0.000 2.479 375 E HA 0.131 4.478 4.350 -0.006 0.000 0.193 375 E C 1.391 177.742 176.600 -0.416 0.000 1.049 375 E CA -0.119 56.084 56.400 -0.328 0.000 0.870 375 E CB 0.217 29.835 29.700 -0.136 0.000 0.944 375 E HN 0.271 nan 8.360 nan 0.000 0.492 376 L N 0.291 121.319 121.223 -0.326 0.000 2.240 376 L HA -0.053 4.284 4.340 -0.006 0.000 0.211 376 L C 0.223 177.049 176.870 -0.072 0.000 1.106 376 L CA 0.415 55.160 54.840 -0.159 0.000 0.793 376 L CB -0.252 41.750 42.059 -0.095 0.000 0.927 376 L HN 0.366 nan 8.230 nan 0.000 0.446 377 H N -0.967 118.111 119.070 0.014 0.000 2.791 377 H HA -0.229 4.324 4.556 -0.006 0.000 0.302 377 H C -0.092 175.259 175.328 0.038 0.000 1.198 377 H CA 0.821 56.876 56.048 0.012 0.000 1.145 377 H CB -2.320 27.441 29.762 -0.001 0.000 1.385 377 H HN 0.429 nan 8.280 nan 0.000 0.409 378 H N 0.417 119.492 119.070 0.008 0.000 3.172 378 H HA 0.156 4.709 4.556 -0.006 0.000 0.322 378 H C 0.748 176.071 175.328 -0.008 0.000 1.003 378 H CA -0.279 55.767 56.048 -0.003 0.000 1.466 378 H CB 0.798 30.544 29.762 -0.028 0.000 1.673 378 H HN 0.382 nan 8.280 nan 0.000 0.512 379 E N 2.315 122.505 120.200 -0.017 0.000 2.204 379 E HA -0.074 4.272 4.350 -0.006 0.000 0.194 379 E C 1.792 178.477 176.600 0.142 0.000 0.989 379 E CA 0.890 57.316 56.400 0.043 0.000 0.824 379 E CB 0.406 30.102 29.700 -0.008 0.000 0.756 379 E HN 0.804 nan 8.360 nan 0.000 0.477 380 G N 1.665 110.623 108.800 0.263 0.000 2.434 380 G HA2 -0.223 3.733 3.960 -0.006 0.000 0.214 380 G HA3 -0.223 3.733 3.960 -0.006 0.000 0.214 380 G C 1.605 176.669 174.900 0.273 0.000 1.202 380 G CA 0.429 45.757 45.100 0.379 0.000 0.788 380 G HN 0.099 nan 8.290 nan 0.000 0.539 381 I N 0.734 121.460 120.570 0.260 0.000 2.264 381 I HA -0.167 3.999 4.170 -0.006 0.000 0.248 381 I C 2.735 178.836 176.117 -0.027 0.000 1.111 381 I CA 1.216 62.508 61.300 -0.013 0.000 1.382 381 I CB -0.251 37.613 38.000 -0.227 0.000 1.060 381 I HN 0.259 nan 8.210 nan 0.000 0.418 382 E N 0.012 120.223 120.200 0.019 0.000 2.085 382 E HA -0.287 4.059 4.350 -0.006 0.000 0.194 382 E C 2.074 178.640 176.600 -0.057 0.000 0.994 382 E CA 1.680 58.060 56.400 -0.032 0.000 0.801 382 E CB -0.267 29.425 29.700 -0.013 0.000 0.743 382 E HN 0.558 nan 8.360 nan 0.000 0.453 383 Y N 0.991 121.204 120.300 -0.145 0.000 2.200 383 Y HA -0.221 4.326 4.550 -0.006 0.000 0.290 383 Y C 2.070 177.844 175.900 -0.210 0.000 1.137 383 Y CA 1.096 59.073 58.100 -0.206 0.000 1.163 383 Y CB -0.339 37.928 38.460 -0.321 0.000 0.988 383 Y HN -0.189 nan 8.280 nan 0.000 0.518 384 V N 0.931 120.642 119.914 -0.340 0.000 2.287 384 V HA -0.338 3.779 4.120 -0.006 0.000 0.248 384 V C 2.480 178.426 176.094 -0.246 0.000 1.053 384 V CA 2.226 64.343 62.300 -0.305 0.000 1.027 384 V CB -0.767 30.985 31.823 -0.119 0.000 0.646 384 V HN 0.488 nan 8.190 nan 0.000 0.447 385 L N -0.833 120.265 121.223 -0.209 0.000 2.156 385 L HA -0.117 4.220 4.340 -0.006 0.000 0.208 385 L C 2.540 179.262 176.870 -0.246 0.000 1.095 385 L CA 1.343 56.062 54.840 -0.202 0.000 0.770 385 L CB -0.563 41.395 42.059 -0.170 0.000 0.914 385 L HN 0.284 nan 8.230 nan 0.000 0.439 386 K N -0.655 119.594 120.400 -0.253 0.000 2.097 386 K HA -0.231 4.086 4.320 -0.006 0.000 0.206 386 K C 2.117 178.557 176.600 -0.266 0.000 1.049 386 K CA 1.576 57.713 56.287 -0.250 0.000 0.933 386 K CB -0.278 32.098 32.500 -0.206 0.000 0.717 386 K HN 0.159 nan 8.250 nan 0.000 0.442 387 Y N 1.721 121.712 120.300 -0.515 0.000 2.153 387 Y HA -0.179 4.368 4.550 -0.005 0.000 0.289 387 Y C 2.033 177.734 175.900 -0.333 0.000 1.127 387 Y CA 0.893 58.694 58.100 -0.498 0.000 1.131 387 Y CB -0.615 37.388 38.460 -0.763 0.000 0.995 387 Y HN -0.059 nan 8.280 nan 0.000 0.505 388 L N 0.271 121.196 121.223 -0.497 0.000 2.021 388 L HA -0.239 4.098 4.340 -0.006 0.000 0.215 388 L C 2.269 178.883 176.870 -0.427 0.000 1.074 388 L CA 2.098 56.651 54.840 -0.479 0.000 0.760 388 L CB -1.278 40.615 42.059 -0.276 0.000 0.889 388 L HN 0.405 nan 8.230 nan 0.000 0.433 389 L N -0.622 120.381 121.223 -0.366 0.000 2.191 389 L HA -0.145 4.191 4.340 -0.006 0.000 0.212 389 L C 2.342 178.987 176.870 -0.376 0.000 1.103 389 L CA 1.558 56.176 54.840 -0.370 0.000 0.769 389 L CB -0.755 41.084 42.059 -0.367 0.000 0.908 389 L HN 0.358 nan 8.230 nan 0.000 0.438 390 E N -0.162 119.828 120.200 -0.350 0.000 2.076 390 E HA -0.073 4.273 4.350 -0.006 0.000 0.190 390 E C 2.056 178.464 176.600 -0.320 0.000 0.979 390 E CA 1.728 57.958 56.400 -0.284 0.000 0.807 390 E CB -0.220 29.369 29.700 -0.185 0.000 0.761 390 E HN 0.766 nan 8.360 nan 0.000 0.454 391 I N -1.677 118.636 120.570 -0.428 0.000 3.883 391 I HA 0.061 4.228 4.170 -0.006 0.000 0.326 391 I C 1.897 177.834 176.117 -0.299 0.000 1.283 391 I CA -0.059 61.026 61.300 -0.357 0.000 1.161 391 I CB 0.033 37.745 38.000 -0.480 0.000 1.012 391 I HN -0.128 nan 8.210 nan 0.000 0.421 392 L N 1.563 122.554 121.223 -0.386 0.000 2.030 392 L HA -0.249 4.087 4.340 -0.006 0.000 0.222 392 L C 2.112 178.956 176.870 -0.042 0.000 1.082 392 L CA 2.328 56.973 54.840 -0.324 0.000 0.785 392 L CB -0.945 40.835 42.059 -0.465 0.000 0.895 392 L HN 0.392 nan 8.230 nan 0.000 0.439 393 F N -2.482 117.462 119.950 -0.010 0.000 2.569 393 F HA -0.033 4.490 4.527 -0.006 0.000 0.295 393 F C 1.980 177.813 175.800 0.055 0.000 1.115 393 F CA 0.624 58.618 58.000 -0.011 0.000 1.450 393 F CB -0.315 38.543 39.000 -0.236 0.000 1.107 393 F HN 0.032 nan 8.300 nan 0.000 0.563 394 T N -1.038 113.611 114.554 0.158 0.000 3.034 394 T HA 0.365 4.712 4.350 -0.006 0.000 0.248 394 T C 0.996 175.734 174.700 0.063 0.000 1.040 394 T CA 0.681 62.846 62.100 0.109 0.000 1.107 394 T CB 0.020 68.929 68.868 0.069 0.000 0.932 394 T HN 0.424 nan 8.240 nan 0.000 0.474 395 G N 0.646 109.450 108.800 0.007 0.000 2.828 395 G HA2 0.371 4.327 3.960 -0.006 0.000 0.463 395 G HA3 0.371 4.327 3.960 -0.006 0.000 0.463 395 G C -0.348 174.533 174.900 -0.031 0.000 1.394 395 G CA -0.860 44.224 45.100 -0.027 0.000 0.862 395 G HN 1.450 nan 8.290 nan 0.000 0.540 396 V N 0.000 119.906 119.914 -0.013 0.000 2.409 396 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 396 V CA 0.000 62.329 62.300 0.049 0.000 1.235 396 V CB 0.000 31.861 31.823 0.064 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556