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_B DATA FIRST_RESID 36 DATA SEQUENCE FFRNMYDKYR DAFLSHLNEY SLEEEIKEHI SKYYKLLFDY NCLGGKNNRG DATA SEQUENCE ILVILIYEYV KXXXXNSSEW EKAACLAWCI EILQAAFLVA DDIMDKGEMR DATA SEQUENCE RNKYCWYLLK DVETKNAVND VLLLYNSIYK LIEIYLRNES CYVDVIATFR DATA SEQUENCE DATLKTIIGQ HLDTNIFSDK YSXXHREIDV NNINVPEQPV IDINMINFGV DATA SEQUENCE YKNIVIHKTA YYSFFLPIVC GMLLAGIAXX NLIYKKIEDI SMLMGEYFQI DATA SEQUENCE HDDYLDIFGD STKTGKVGSD IQNNKLTWPL IKTFELCSEP DKIKIVKNYG DATA SEQUENCE KNNLACVKVI DSLYEQYKIR KHYESYEKAQ KAKILSAINE LHHEGIEYVL DATA SEQUENCE KYLLEILFTG V 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 36 F HA 0.000 nan 4.527 nan 0.000 0.279 36 F C 0.000 175.992 175.800 0.321 0.000 0.967 36 F CA 0.000 58.147 58.000 0.245 0.000 1.383 36 F CB 0.000 39.142 39.000 0.237 0.000 1.145 37 F N 2.967 122.992 119.950 0.125 0.000 2.065 37 F HA -0.022 4.501 4.527 -0.007 0.000 0.298 37 F C 2.369 178.304 175.800 0.225 0.000 1.112 37 F CA 2.118 60.108 58.000 -0.017 0.000 1.212 37 F CB -0.295 38.728 39.000 0.038 0.000 0.975 37 F HN -0.086 nan 8.300 nan 0.000 0.476 38 R N 0.544 121.121 120.500 0.129 0.000 2.193 38 R HA -0.047 4.289 4.340 -0.007 0.000 0.213 38 R C 1.843 178.176 176.300 0.054 0.000 1.055 38 R CA 0.615 56.790 56.100 0.126 0.000 0.995 38 R CB -0.966 29.443 30.300 0.182 0.000 0.893 38 R HN 0.332 nan 8.270 nan 0.000 0.459 39 N N 0.441 119.163 118.700 0.036 0.000 2.149 39 N HA -0.107 4.629 4.740 -0.007 0.000 0.188 39 N C 1.425 176.876 175.510 -0.097 0.000 1.019 39 N CA 1.144 54.194 53.050 -0.001 0.000 0.857 39 N CB -0.015 38.506 38.487 0.057 0.000 0.997 39 N HN 0.135 nan 8.380 nan 0.000 0.426 40 M N -0.771 118.732 119.600 -0.162 0.000 2.561 40 M HA -0.023 4.453 4.480 -0.007 0.000 0.238 40 M C 1.317 177.382 176.300 -0.392 0.000 1.131 40 M CA 0.147 55.294 55.300 -0.255 0.000 1.046 40 M CB -0.516 31.952 32.600 -0.220 0.000 1.532 40 M HN 0.167 nan 8.290 nan 0.000 0.497 41 Y N 2.272 122.201 120.300 -0.620 0.000 2.145 41 Y HA -0.254 4.292 4.550 -0.007 0.000 0.286 41 Y C 1.617 177.086 175.900 -0.719 0.000 1.145 41 Y CA 1.966 59.357 58.100 -1.182 0.000 1.148 41 Y CB -0.225 37.418 38.460 -1.363 0.000 0.981 41 Y HN 0.212 nan 8.280 nan 0.000 0.507 42 D N 0.470 120.437 120.400 -0.721 0.000 2.178 42 D HA -0.186 4.450 4.640 -0.007 0.000 0.201 42 D C 2.087 178.038 176.300 -0.581 0.000 0.980 42 D CA 1.439 55.063 54.000 -0.628 0.000 0.842 42 D CB -0.356 40.272 40.800 -0.286 0.000 0.948 42 D HN 0.461 nan 8.370 nan 0.000 0.472 43 K N 0.101 120.149 120.400 -0.588 0.000 2.032 43 K HA -0.193 4.123 4.320 -0.007 0.000 0.209 43 K C 1.906 178.132 176.600 -0.625 0.000 1.048 43 K CA 1.161 57.087 56.287 -0.602 0.000 0.927 43 K CB -0.200 31.844 32.500 -0.760 0.000 0.712 43 K HN 0.155 nan 8.250 nan 0.000 0.441 44 Y N 0.724 120.763 120.300 -0.435 0.000 2.220 44 Y HA -0.028 4.518 4.550 -0.007 0.000 0.291 44 Y C 2.631 178.289 175.900 -0.403 0.000 1.129 44 Y CA 1.230 59.121 58.100 -0.348 0.000 1.161 44 Y CB -0.542 37.708 38.460 -0.350 0.000 0.997 44 Y HN 0.107 nan 8.280 nan 0.000 0.522 45 R N 0.653 120.812 120.500 -0.569 0.000 2.083 45 R HA -0.193 4.143 4.340 -0.007 0.000 0.237 45 R C 1.280 177.319 176.300 -0.435 0.000 1.137 45 R CA 2.239 57.929 56.100 -0.683 0.000 0.951 45 R CB -0.315 29.451 30.300 -0.890 0.000 0.851 45 R HN 0.269 nan 8.270 nan 0.000 0.434 46 D N -0.007 120.182 120.400 -0.353 0.000 2.234 46 D HA -0.035 4.601 4.640 -0.007 0.000 0.205 46 D C 1.709 177.915 176.300 -0.158 0.000 0.962 46 D CA 1.121 54.983 54.000 -0.230 0.000 0.855 46 D CB -0.110 40.564 40.800 -0.211 0.000 0.951 46 D HN 0.382 nan 8.370 nan 0.000 0.500 47 A N 0.648 123.401 122.820 -0.112 0.000 1.883 47 A HA -0.204 4.112 4.320 -0.007 0.000 0.217 47 A C 2.073 179.654 177.584 -0.005 0.000 1.186 47 A CA 1.049 53.079 52.037 -0.011 0.000 0.624 47 A CB -0.977 18.122 19.000 0.165 0.000 0.822 47 A HN 0.240 nan 8.150 nan 0.000 0.444 48 F N 0.489 120.344 119.950 -0.159 0.000 2.146 48 F HA -0.063 4.460 4.527 -0.007 0.000 0.298 48 F C 1.906 177.614 175.800 -0.154 0.000 1.096 48 F CA 1.432 59.332 58.000 -0.167 0.000 1.275 48 F CB -0.258 38.565 39.000 -0.295 0.000 1.008 48 F HN 0.123 nan 8.300 nan 0.000 0.480 49 L N -1.054 119.995 121.223 -0.291 0.000 2.131 49 L HA -0.207 4.129 4.340 -0.007 0.000 0.210 49 L C 2.548 179.246 176.870 -0.287 0.000 1.092 49 L CA 1.169 55.834 54.840 -0.291 0.000 0.759 49 L CB -0.935 41.034 42.059 -0.149 0.000 0.903 49 L HN 0.072 nan 8.230 nan 0.000 0.435 50 S N -1.081 114.488 115.700 -0.219 0.000 2.368 50 S HA -0.251 4.215 4.470 -0.007 0.000 0.225 50 S C 1.929 176.398 174.600 -0.219 0.000 1.030 50 S CA 1.418 59.511 58.200 -0.179 0.000 0.999 50 S CB -0.293 62.838 63.200 -0.115 0.000 0.844 50 S HN 0.551 nan 8.310 nan 0.000 0.459 51 H N 1.576 120.437 119.070 -0.348 0.000 2.319 51 H HA -0.035 4.517 4.556 -0.007 0.000 0.297 51 H C 1.804 176.796 175.328 -0.559 0.000 1.097 51 H CA 1.871 57.695 56.048 -0.374 0.000 1.285 51 H CB -0.421 29.112 29.762 -0.382 0.000 1.368 51 H HN 0.298 nan 8.280 nan 0.000 0.495 52 L N 0.037 120.718 121.223 -0.903 0.000 2.093 52 L HA -0.161 4.175 4.340 -0.007 0.000 0.208 52 L C 2.430 178.816 176.870 -0.806 0.000 1.085 52 L CA 1.253 55.352 54.840 -1.234 0.000 0.755 52 L CB -0.563 40.981 42.059 -0.858 0.000 0.904 52 L HN 0.462 nan 8.230 nan 0.000 0.435 53 N N 0.526 118.960 118.700 -0.443 0.000 2.519 53 N HA -0.174 4.562 4.740 -0.007 0.000 0.186 53 N C 1.287 176.697 175.510 -0.167 0.000 1.062 53 N CA 0.814 53.722 53.050 -0.236 0.000 0.910 53 N CB 0.211 38.600 38.487 -0.163 0.000 0.958 53 N HN 0.498 nan 8.380 nan 0.000 0.445 54 E N -0.791 119.287 120.200 -0.202 0.000 2.478 54 E HA -0.017 4.329 4.350 -0.007 0.000 0.194 54 E C -0.238 176.398 176.600 0.060 0.000 1.045 54 E CA -0.134 56.223 56.400 -0.073 0.000 0.868 54 E CB 0.203 29.855 29.700 -0.081 0.000 0.885 54 E HN 0.218 nan 8.360 nan 0.000 0.505 55 Y N 1.194 121.392 120.300 -0.170 0.000 2.578 55 Y HA -0.011 4.534 4.550 -0.007 0.000 0.339 55 Y C 0.902 176.757 175.900 -0.074 0.000 1.231 55 Y CA -0.858 57.166 58.100 -0.126 0.000 1.461 55 Y CB 0.499 38.889 38.460 -0.117 0.000 1.323 55 Y HN -0.228 nan 8.280 nan 0.000 0.590 56 S N 4.491 120.231 115.700 0.068 0.000 3.530 56 S HA 0.393 4.859 4.470 -0.007 0.000 0.279 56 S C -0.243 174.381 174.600 0.040 0.000 1.280 56 S CA -0.303 57.913 58.200 0.028 0.000 0.946 56 S CB -0.899 62.296 63.200 -0.009 0.000 1.501 56 S HN 0.352 nan 8.310 nan 0.000 0.498 57 L N 1.732 122.988 121.223 0.054 0.000 2.409 57 L HA 0.450 4.786 4.340 -0.007 0.000 0.262 57 L C 0.198 177.087 176.870 0.031 0.000 0.992 57 L CA -0.903 53.970 54.840 0.054 0.000 0.817 57 L CB 1.943 44.055 42.059 0.088 0.000 1.350 57 L HN 0.326 nan 8.230 nan 0.000 0.411 58 E N 0.822 121.038 120.200 0.026 0.000 2.413 58 E HA -0.075 4.271 4.350 -0.007 0.000 0.263 58 E C 0.166 176.766 176.600 -0.000 0.000 1.015 58 E CA -0.053 56.354 56.400 0.012 0.000 0.916 58 E CB 1.184 30.892 29.700 0.014 0.000 0.947 58 E HN 0.442 nan 8.360 nan 0.000 0.440 59 E N 2.443 122.635 120.200 -0.014 0.000 2.070 59 E HA -0.269 4.077 4.350 -0.007 0.000 0.197 59 E C 1.646 178.210 176.600 -0.060 0.000 1.004 59 E CA 1.639 58.021 56.400 -0.031 0.000 0.805 59 E CB 0.045 29.727 29.700 -0.030 0.000 0.744 59 E HN 0.588 nan 8.360 nan 0.000 0.451 60 E N -0.419 119.735 120.200 -0.077 0.000 2.153 60 E HA -0.169 4.177 4.350 -0.007 0.000 0.194 60 E C 2.058 178.517 176.600 -0.235 0.000 0.988 60 E CA 1.018 57.316 56.400 -0.171 0.000 0.811 60 E CB -0.097 29.526 29.700 -0.130 0.000 0.746 60 E HN 0.357 nan 8.360 nan 0.000 0.466 61 I N 0.579 121.117 120.570 -0.054 0.000 2.286 61 I HA -0.236 3.930 4.170 -0.007 0.000 0.245 61 I C 2.285 178.435 176.117 0.056 0.000 1.104 61 I CA 0.939 62.272 61.300 0.056 0.000 1.397 61 I CB -0.187 37.867 38.000 0.090 0.000 1.072 61 I HN 0.052 nan 8.210 nan 0.000 0.417 62 K N 0.841 121.251 120.400 0.017 0.000 2.103 62 K HA -0.221 4.095 4.320 -0.007 0.000 0.207 62 K C 1.928 178.534 176.600 0.009 0.000 1.048 62 K CA 1.542 57.838 56.287 0.014 0.000 0.930 62 K CB -0.126 32.366 32.500 -0.014 0.000 0.716 62 K HN 0.384 nan 8.250 nan 0.000 0.444 63 E N -0.260 119.910 120.200 -0.051 0.000 2.051 63 E HA -0.175 4.171 4.350 -0.007 0.000 0.192 63 E C 2.069 178.674 176.600 0.009 0.000 0.991 63 E CA 0.980 57.342 56.400 -0.063 0.000 0.799 63 E CB -0.060 29.550 29.700 -0.151 0.000 0.748 63 E HN 0.358 nan 8.360 nan 0.000 0.449 64 H N 0.699 119.800 119.070 0.052 0.000 2.319 64 H HA -0.137 4.416 4.556 -0.005 0.000 0.299 64 H C 2.431 177.814 175.328 0.092 0.000 1.092 64 H CA 1.579 57.663 56.048 0.060 0.000 1.302 64 H CB -0.550 29.233 29.762 0.036 0.000 1.373 64 H HN 0.347 nan 8.280 nan 0.000 0.497 65 I N -0.155 120.555 120.570 0.233 0.000 2.493 65 I HA -0.168 3.998 4.170 -0.007 0.000 0.254 65 I C 2.552 178.858 176.117 0.315 0.000 1.160 65 I CA 1.528 62.985 61.300 0.262 0.000 1.445 65 I CB -0.376 37.812 38.000 0.313 0.000 1.086 65 I HN 0.109 nan 8.210 nan 0.000 0.433 66 S N 1.791 117.613 115.700 0.204 0.000 2.368 66 S HA -0.244 4.222 4.470 -0.007 0.000 0.224 66 S C 2.193 176.909 174.600 0.194 0.000 1.029 66 S CA 1.335 59.639 58.200 0.174 0.000 0.988 66 S CB -0.588 62.657 63.200 0.076 0.000 0.838 66 S HN 0.658 nan 8.310 nan 0.000 0.462 67 K N -0.066 120.439 120.400 0.175 0.000 2.009 67 K HA -0.228 4.088 4.320 -0.007 0.000 0.210 67 K C 2.173 178.882 176.600 0.182 0.000 1.049 67 K CA 1.692 58.078 56.287 0.165 0.000 0.929 67 K CB -0.607 31.992 32.500 0.165 0.000 0.714 67 K HN 0.490 nan 8.250 nan 0.000 0.440 68 Y N 0.183 120.525 120.300 0.070 0.000 2.097 68 Y HA -0.285 4.260 4.550 -0.009 0.000 0.282 68 Y C 1.910 177.835 175.900 0.042 0.000 1.152 68 Y CA 2.017 60.110 58.100 -0.012 0.000 1.136 68 Y CB -0.312 38.013 38.460 -0.225 0.000 0.975 68 Y HN 0.137 nan 8.280 nan 0.000 0.498 69 Y N 0.430 120.969 120.300 0.399 0.000 2.314 69 Y HA -0.123 4.423 4.550 -0.006 0.000 0.293 69 Y C 2.514 178.648 175.900 0.390 0.000 1.129 69 Y CA 1.536 59.879 58.100 0.405 0.000 1.201 69 Y CB -0.653 38.094 38.460 0.477 0.000 0.999 69 Y HN 0.127 nan 8.280 nan 0.000 0.541 70 K N 0.226 120.859 120.400 0.389 0.000 2.032 70 K HA -0.218 4.098 4.320 -0.007 0.000 0.209 70 K C 2.054 178.804 176.600 0.250 0.000 1.048 70 K CA 1.526 57.982 56.287 0.281 0.000 0.927 70 K CB -0.511 32.086 32.500 0.162 0.000 0.712 70 K HN 0.229 nan 8.250 nan 0.000 0.441 71 L N 1.425 122.746 121.223 0.163 0.000 2.017 71 L HA -0.131 4.205 4.340 -0.007 0.000 0.208 71 L C 2.178 179.039 176.870 -0.015 0.000 1.073 71 L CA 1.423 56.337 54.840 0.124 0.000 0.745 71 L CB -0.835 41.296 42.059 0.120 0.000 0.894 71 L HN 0.369 nan 8.230 nan 0.000 0.432 72 L N -0.997 120.105 121.223 -0.201 0.000 2.021 72 L HA -0.271 4.065 4.340 -0.007 0.000 0.215 72 L C 2.257 178.865 176.870 -0.438 0.000 1.074 72 L CA 2.089 56.538 54.840 -0.652 0.000 0.760 72 L CB -0.857 41.013 42.059 -0.315 0.000 0.889 72 L HN 0.246 nan 8.230 nan 0.000 0.433 73 F N -0.031 119.891 119.950 -0.046 0.000 2.084 73 F HA -0.177 4.348 4.527 -0.004 0.000 0.296 73 F C 2.352 178.202 175.800 0.085 0.000 1.111 73 F CA 1.674 59.704 58.000 0.050 0.000 1.224 73 F CB -0.771 38.301 39.000 0.120 0.000 0.991 73 F HN 0.137 nan 8.300 nan 0.000 0.471 74 D N -1.081 119.495 120.400 0.294 0.000 2.123 74 D HA -0.243 4.393 4.640 -0.007 0.000 0.196 74 D C 1.967 178.304 176.300 0.060 0.000 0.992 74 D CA 1.345 55.441 54.000 0.159 0.000 0.833 74 D CB -0.720 40.176 40.800 0.160 0.000 0.954 74 D HN 0.307 nan 8.370 nan 0.000 0.455 75 Y N 0.920 121.181 120.300 -0.065 0.000 2.263 75 Y HA -0.071 4.475 4.550 -0.007 0.000 0.292 75 Y C 1.686 177.533 175.900 -0.087 0.000 1.130 75 Y CA 1.195 59.258 58.100 -0.061 0.000 1.179 75 Y CB 0.271 38.697 38.460 -0.057 0.000 0.998 75 Y HN -0.058 nan 8.280 nan 0.000 0.532 76 N N -2.302 116.390 118.700 -0.013 0.000 2.294 76 N HA 0.007 4.743 4.740 -0.007 0.000 0.186 76 N C 1.138 176.655 175.510 0.011 0.000 1.107 76 N CA 0.763 53.796 53.050 -0.029 0.000 0.884 76 N CB 0.025 38.409 38.487 -0.172 0.000 1.030 76 N HN 0.291 nan 8.380 nan 0.000 0.482 77 C N 0.662 119.987 119.300 0.042 0.000 2.590 77 C HA 0.370 4.826 4.460 -0.007 0.000 0.272 77 C C 1.045 176.104 174.990 0.115 0.000 1.338 77 C CA -0.304 58.805 59.018 0.152 0.000 1.746 77 C CB -0.276 27.647 27.740 0.304 0.000 2.020 77 C HN 0.170 nan 8.230 nan 0.000 0.531 78 L N 0.404 121.605 121.223 -0.038 0.000 2.325 78 L HA 0.643 4.979 4.340 -0.007 0.000 0.278 78 L C 1.056 177.898 176.870 -0.048 0.000 1.023 78 L CA 0.569 55.360 54.840 -0.082 0.000 0.811 78 L CB 1.292 43.208 42.059 -0.238 0.000 1.249 78 L HN 0.368 nan 8.230 nan 0.000 0.431 79 G N 1.552 110.347 108.800 -0.008 0.000 2.255 79 G HA2 -0.152 3.804 3.960 -0.007 0.000 0.196 79 G HA3 -0.152 3.804 3.960 -0.007 0.000 0.196 79 G C 0.305 175.224 174.900 0.032 0.000 0.998 79 G CA -0.296 44.800 45.100 -0.007 0.000 0.656 79 G HN 0.969 nan 8.290 nan 0.000 0.490 80 G N -0.365 108.472 108.800 0.062 0.000 2.532 80 G HA2 0.550 4.506 3.960 -0.007 0.000 0.291 80 G HA3 0.550 4.506 3.960 -0.007 0.000 0.291 80 G C 0.822 175.771 174.900 0.081 0.000 1.349 80 G CA 0.251 45.399 45.100 0.079 0.000 1.038 80 G HN 0.224 nan 8.290 nan 0.000 0.518 81 K N -0.461 119.988 120.400 0.081 0.000 2.211 81 K HA -0.045 4.271 4.320 -0.007 0.000 0.203 81 K C 0.591 177.208 176.600 0.028 0.000 1.050 81 K CA 0.931 57.254 56.287 0.061 0.000 0.945 81 K CB -0.163 32.379 32.500 0.070 0.000 0.732 81 K HN 0.627 nan 8.250 nan 0.000 0.451 82 N N 0.460 119.171 118.700 0.018 0.000 2.725 82 N HA -0.205 4.532 4.740 -0.007 0.000 0.249 82 N C 0.168 175.569 175.510 -0.182 0.000 1.103 82 N CA 0.191 53.215 53.050 -0.044 0.000 0.707 82 N CB -0.856 37.682 38.487 0.084 0.000 1.043 82 N HN 0.238 nan 8.380 nan 0.000 0.553 83 N N 0.720 119.325 118.700 -0.158 0.000 2.061 83 N HA -0.154 4.582 4.740 -0.007 0.000 0.193 83 N C 1.687 177.001 175.510 -0.326 0.000 1.030 83 N CA 1.500 54.406 53.050 -0.240 0.000 0.856 83 N CB -0.118 38.212 38.487 -0.261 0.000 1.023 83 N HN 0.520 nan 8.380 nan 0.000 0.424 84 R N -0.136 120.167 120.500 -0.329 0.000 2.081 84 R HA -0.021 4.315 4.340 -0.007 0.000 0.235 84 R C 2.392 178.484 176.300 -0.345 0.000 1.131 84 R CA 1.348 57.246 56.100 -0.337 0.000 0.960 84 R CB -0.603 29.544 30.300 -0.256 0.000 0.856 84 R HN 0.257 nan 8.270 nan 0.000 0.436 85 G N 0.877 109.419 108.800 -0.431 0.000 2.402 85 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.216 85 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.216 85 G C 1.452 175.802 174.900 -0.917 0.000 1.162 85 G CA 0.420 45.117 45.100 -0.673 0.000 0.777 85 G HN 0.143 nan 8.290 nan 0.000 0.539 86 I N 0.042 120.072 120.570 -0.899 0.000 2.286 86 I HA -0.121 4.045 4.170 -0.007 0.000 0.248 86 I C 2.570 178.490 176.117 -0.330 0.000 1.115 86 I CA 0.512 61.434 61.300 -0.629 0.000 1.392 86 I CB -0.134 37.614 38.000 -0.419 0.000 1.065 86 I HN 0.157 nan 8.210 nan 0.000 0.418 87 L N 0.539 121.590 121.223 -0.287 0.000 2.046 87 L HA -0.155 4.181 4.340 -0.007 0.000 0.208 87 L C 2.393 179.170 176.870 -0.156 0.000 1.077 87 L CA 1.699 56.428 54.840 -0.185 0.000 0.747 87 L CB -0.530 41.404 42.059 -0.209 0.000 0.896 87 L HN -0.037 nan 8.230 nan 0.000 0.432 88 V N -0.042 119.750 119.914 -0.204 0.000 2.214 88 V HA -0.370 3.746 4.120 -0.007 0.000 0.247 88 V C 2.528 178.557 176.094 -0.108 0.000 1.051 88 V CA 2.115 64.321 62.300 -0.156 0.000 1.003 88 V CB -0.751 30.963 31.823 -0.182 0.000 0.635 88 V HN 0.360 nan 8.190 nan 0.000 0.447 89 I N -0.375 120.100 120.570 -0.159 0.000 2.113 89 I HA -0.320 3.846 4.170 -0.007 0.000 0.242 89 I C 2.440 178.535 176.117 -0.037 0.000 1.057 89 I CA 2.128 63.362 61.300 -0.111 0.000 1.314 89 I CB -1.256 36.677 38.000 -0.112 0.000 1.022 89 I HN 0.295 nan 8.210 nan 0.000 0.408 90 L N -0.312 120.907 121.223 -0.006 0.000 2.027 90 L HA -0.199 4.137 4.340 -0.007 0.000 0.206 90 L C 2.649 179.629 176.870 0.182 0.000 1.074 90 L CA 1.083 55.998 54.840 0.125 0.000 0.745 90 L CB -0.410 41.723 42.059 0.123 0.000 0.898 90 L HN 0.122 nan 8.230 nan 0.000 0.433 91 I N -1.098 119.519 120.570 0.079 0.000 2.208 91 I HA -0.366 3.800 4.170 -0.007 0.000 0.245 91 I C 2.424 178.583 176.117 0.070 0.000 1.097 91 I CA 1.566 62.903 61.300 0.061 0.000 1.363 91 I CB -0.296 37.696 38.000 -0.014 0.000 1.051 91 I HN 0.160 nan 8.210 nan 0.000 0.413 92 Y N 1.151 121.402 120.300 -0.081 0.000 2.114 92 Y HA -0.305 4.242 4.550 -0.006 0.000 0.284 92 Y C 2.561 178.362 175.900 -0.165 0.000 1.143 92 Y CA 2.194 60.217 58.100 -0.128 0.000 1.135 92 Y CB -0.439 37.908 38.460 -0.189 0.000 0.980 92 Y HN 0.228 nan 8.280 nan 0.000 0.499 93 E N -1.003 119.072 120.200 -0.208 0.000 2.070 93 E HA -0.293 4.053 4.350 -0.007 0.000 0.197 93 E C 1.598 177.956 176.600 -0.403 0.000 1.004 93 E CA 2.012 58.185 56.400 -0.379 0.000 0.805 93 E CB -0.437 29.056 29.700 -0.345 0.000 0.744 93 E HN 0.665 nan 8.360 nan 0.000 0.451 94 Y N -1.148 119.078 120.300 -0.124 0.000 2.490 94 Y HA 0.031 4.577 4.550 -0.007 0.000 0.281 94 Y C 1.673 177.563 175.900 -0.017 0.000 1.174 94 Y CA -0.078 57.978 58.100 -0.074 0.000 1.295 94 Y CB 0.711 39.149 38.460 -0.036 0.000 1.062 94 Y HN -0.016 nan 8.280 nan 0.000 0.522 95 V N -1.003 118.917 119.914 0.010 0.000 2.878 95 V HA -0.048 4.068 4.120 -0.007 0.000 0.250 95 V C 1.246 177.298 176.094 -0.070 0.000 1.075 95 V CA 0.925 63.231 62.300 0.009 0.000 1.096 95 V CB -0.144 31.633 31.823 -0.076 0.000 0.724 95 V HN 0.043 nan 8.190 nan 0.000 0.467 102 S N -0.730 114.737 115.700 -0.387 0.000 2.453 102 S HA -0.101 4.365 4.470 -0.007 0.000 0.231 102 S C 1.547 176.229 174.600 0.136 0.000 1.005 102 S CA 1.600 59.704 58.200 -0.160 0.000 0.949 102 S CB -0.734 62.404 63.200 -0.103 0.000 0.774 102 S HN 0.861 nan 8.310 nan 0.000 0.510 103 S N 1.004 116.777 115.700 0.121 0.000 2.446 103 S HA 0.100 4.566 4.470 -0.007 0.000 0.225 103 S C 1.679 176.442 174.600 0.273 0.000 1.016 103 S CA 0.496 58.807 58.200 0.184 0.000 0.943 103 S CB -0.467 62.806 63.200 0.122 0.000 0.786 103 S HN 0.641 nan 8.310 nan 0.000 0.508 104 E N 0.292 120.711 120.200 0.367 0.000 2.152 104 E HA -0.019 4.327 4.350 -0.007 0.000 0.192 104 E C 1.628 178.565 176.600 0.562 0.000 0.983 104 E CA 1.094 57.798 56.400 0.507 0.000 0.818 104 E CB -0.168 29.970 29.700 0.731 0.000 0.758 104 E HN 0.697 nan 8.360 nan 0.000 0.467 105 W N 1.119 122.526 121.300 0.179 0.000 2.467 105 W HA -0.111 4.546 4.660 -0.006 0.000 0.275 105 W C 2.159 178.857 176.519 0.298 0.000 1.239 105 W CA 0.319 57.825 57.345 0.269 0.000 1.266 105 W CB 0.093 29.723 29.460 0.284 0.000 1.112 105 W HN 0.221 nan 8.180 nan 0.000 0.576 106 E N 1.281 121.755 120.200 0.456 0.000 2.110 106 E HA -0.208 4.138 4.350 -0.007 0.000 0.193 106 E C 1.826 178.540 176.600 0.189 0.000 0.988 106 E CA 1.228 57.821 56.400 0.320 0.000 0.804 106 E CB 0.063 29.923 29.700 0.266 0.000 0.745 106 E HN 0.223 nan 8.360 nan 0.000 0.458 107 K N -0.044 120.440 120.400 0.141 0.000 2.076 107 K HA 0.006 4.322 4.320 -0.007 0.000 0.204 107 K C 2.098 178.632 176.600 -0.110 0.000 1.051 107 K CA 0.920 57.225 56.287 0.030 0.000 0.949 107 K CB -0.016 32.509 32.500 0.042 0.000 0.726 107 K HN 0.080 nan 8.250 nan 0.000 0.443 108 A N 1.463 124.164 122.820 -0.197 0.000 1.873 108 A HA -0.050 4.266 4.320 -0.007 0.000 0.215 108 A C 2.350 179.854 177.584 -0.134 0.000 1.186 108 A CA 1.694 53.543 52.037 -0.313 0.000 0.616 108 A CB -0.720 17.931 19.000 -0.581 0.000 0.823 108 A HN 0.300 nan 8.150 nan 0.000 0.442 109 A N -1.164 121.663 122.820 0.011 0.000 2.070 109 A HA -0.154 4.162 4.320 -0.007 0.000 0.220 109 A C 2.293 179.735 177.584 -0.236 0.000 1.159 109 A CA 1.566 53.655 52.037 0.087 0.000 0.656 109 A CB -1.282 17.875 19.000 0.261 0.000 0.800 109 A HN 0.807 nan 8.150 nan 0.000 0.453 110 C N -1.133 117.857 119.300 -0.515 0.000 2.453 110 C HA -0.005 4.451 4.460 -0.007 0.000 0.277 110 C C 2.396 177.141 174.990 -0.408 0.000 1.262 110 C CA 1.262 59.707 59.018 -0.955 0.000 1.718 110 C CB -1.256 26.105 27.740 -0.631 0.000 2.031 110 C HN 0.464 nan 8.230 nan 0.000 0.480 111 L N 1.745 122.853 121.223 -0.193 0.000 2.093 111 L HA 0.070 4.406 4.340 -0.007 0.000 0.208 111 L C 2.890 179.771 176.870 0.017 0.000 1.085 111 L CA 2.165 56.993 54.840 -0.021 0.000 0.755 111 L CB -1.489 40.576 42.059 0.010 0.000 0.904 111 L HN 0.462 nan 8.230 nan 0.000 0.435 112 A N -1.633 121.151 122.820 -0.059 0.000 1.877 112 A HA -0.251 4.065 4.320 -0.007 0.000 0.216 112 A C 2.186 179.756 177.584 -0.023 0.000 1.186 112 A CA 1.746 53.734 52.037 -0.081 0.000 0.620 112 A CB -1.193 17.753 19.000 -0.091 0.000 0.822 112 A HN 0.537 nan 8.150 nan 0.000 0.443 113 W N -0.834 120.525 121.300 0.097 0.000 2.425 113 W HA -0.114 4.541 4.660 -0.008 0.000 0.277 113 W C 2.473 179.000 176.519 0.014 0.000 1.231 113 W CA 0.723 58.097 57.345 0.050 0.000 1.248 113 W CB -0.460 28.945 29.460 -0.091 0.000 1.117 113 W HN 0.352 nan 8.180 nan 0.000 0.568 114 C N -0.175 119.198 119.300 0.122 0.000 2.422 114 C HA -0.160 4.296 4.460 -0.007 0.000 0.279 114 C C 2.426 177.538 174.990 0.202 0.000 1.305 114 C CA 0.672 59.711 59.018 0.036 0.000 1.757 114 C CB -1.338 26.269 27.740 -0.222 0.000 1.962 114 C HN 0.307 nan 8.230 nan 0.000 0.499 115 I N 0.493 121.219 120.570 0.260 0.000 2.500 115 I HA -0.088 4.078 4.170 -0.007 0.000 0.252 115 I C 2.434 178.656 176.117 0.175 0.000 1.142 115 I CA 1.051 62.485 61.300 0.224 0.000 1.451 115 I CB -0.634 37.403 38.000 0.062 0.000 1.093 115 I HN 0.287 nan 8.210 nan 0.000 0.430 116 E N 1.247 121.544 120.200 0.161 0.000 2.106 116 E HA -0.138 4.208 4.350 -0.007 0.000 0.192 116 E C 2.270 179.020 176.600 0.250 0.000 0.984 116 E CA 1.198 57.721 56.400 0.205 0.000 0.806 116 E CB -0.165 29.661 29.700 0.210 0.000 0.750 116 E HN 0.540 nan 8.360 nan 0.000 0.458 117 I N 0.564 121.285 120.570 0.251 0.000 2.252 117 I HA -0.247 3.919 4.170 -0.007 0.000 0.245 117 I C 2.416 178.547 176.117 0.022 0.000 1.102 117 I CA 0.499 61.888 61.300 0.148 0.000 1.385 117 I CB -0.183 37.896 38.000 0.132 0.000 1.064 117 I HN 0.063 nan 8.210 nan 0.000 0.414 118 L N 0.779 122.013 121.223 0.019 0.000 2.046 118 L HA -0.240 4.096 4.340 -0.007 0.000 0.208 118 L C 2.536 179.292 176.870 -0.189 0.000 1.077 118 L CA 1.848 56.596 54.840 -0.154 0.000 0.747 118 L CB -0.732 41.315 42.059 -0.021 0.000 0.896 118 L HN 0.232 nan 8.230 nan 0.000 0.432 119 Q N -0.102 119.766 119.800 0.114 0.000 2.077 119 Q HA -0.221 4.115 4.340 -0.007 0.000 0.206 119 Q C 2.160 178.251 176.000 0.153 0.000 0.989 119 Q CA 2.534 58.496 55.803 0.265 0.000 0.853 119 Q CB -0.608 28.312 28.738 0.304 0.000 0.907 119 Q HN 0.552 nan 8.270 nan 0.000 0.418 120 A N 0.422 123.293 122.820 0.086 0.000 1.883 120 A HA -0.097 4.219 4.320 -0.007 0.000 0.217 120 A C 2.342 179.920 177.584 -0.011 0.000 1.186 120 A CA 2.317 54.377 52.037 0.037 0.000 0.624 120 A CB -1.383 17.617 19.000 -0.000 0.000 0.822 120 A HN 0.604 nan 8.150 nan 0.000 0.444 121 A N -0.947 121.820 122.820 -0.088 0.000 1.858 121 A HA 0.012 4.328 4.320 -0.007 0.000 0.216 121 A C 1.921 179.502 177.584 -0.004 0.000 1.190 121 A CA 1.667 53.640 52.037 -0.107 0.000 0.617 121 A CB -0.811 18.066 19.000 -0.205 0.000 0.827 121 A HN 0.434 nan 8.150 nan 0.000 0.443 122 F N 0.211 120.136 119.950 -0.041 0.000 2.161 122 F HA -0.128 4.394 4.527 -0.008 0.000 0.300 122 F C 2.153 177.945 175.800 -0.013 0.000 1.089 122 F CA 0.855 58.802 58.000 -0.089 0.000 1.282 122 F CB -0.943 37.892 39.000 -0.275 0.000 1.010 122 F HN 0.096 nan 8.300 nan 0.000 0.485 123 L N -1.190 120.168 121.223 0.225 0.000 2.072 123 L HA -0.161 4.175 4.340 -0.007 0.000 0.205 123 L C 2.413 179.382 176.870 0.164 0.000 1.079 123 L CA 0.568 55.519 54.840 0.185 0.000 0.752 123 L CB -0.953 41.216 42.059 0.184 0.000 0.906 123 L HN -0.087 nan 8.230 nan 0.000 0.436 124 V N 0.595 120.600 119.914 0.151 0.000 2.252 124 V HA -0.371 3.745 4.120 -0.007 0.000 0.249 124 V C 2.828 179.001 176.094 0.133 0.000 1.056 124 V CA 2.129 64.537 62.300 0.180 0.000 1.022 124 V CB -1.040 30.875 31.823 0.154 0.000 0.641 124 V HN 0.510 nan 8.190 nan 0.000 0.445 125 A N -0.063 122.823 122.820 0.110 0.000 1.877 125 A HA -0.316 4.000 4.320 -0.007 0.000 0.216 125 A C 2.057 179.654 177.584 0.021 0.000 1.186 125 A CA 2.246 54.323 52.037 0.066 0.000 0.620 125 A CB -0.811 18.249 19.000 0.101 0.000 0.822 125 A HN 0.642 nan 8.150 nan 0.000 0.443 126 D N -0.540 119.894 120.400 0.056 0.000 2.149 126 D HA -0.160 4.476 4.640 -0.007 0.000 0.198 126 D C 1.230 177.532 176.300 0.003 0.000 0.990 126 D CA 1.542 55.562 54.000 0.034 0.000 0.839 126 D CB -0.070 40.775 40.800 0.075 0.000 0.948 126 D HN 0.368 nan 8.370 nan 0.000 0.460 127 D N -0.542 119.870 120.400 0.021 0.000 2.194 127 D HA -0.036 4.600 4.640 -0.007 0.000 0.204 127 D C 2.189 178.288 176.300 -0.336 0.000 0.964 127 D CA 0.342 54.354 54.000 0.019 0.000 0.846 127 D CB -0.048 40.889 40.800 0.229 0.000 0.962 127 D HN 0.382 nan 8.370 nan 0.000 0.490 128 I N 0.546 120.809 120.570 -0.510 0.000 2.127 128 I HA -0.283 3.884 4.170 -0.007 0.000 0.241 128 I C 2.439 178.337 176.117 -0.365 0.000 1.075 128 I CA 1.073 61.921 61.300 -0.754 0.000 1.334 128 I CB -0.217 37.546 38.000 -0.394 0.000 1.040 128 I HN -0.065 nan 8.210 nan 0.000 0.405 129 M N -0.168 119.323 119.600 -0.182 0.000 2.229 129 M HA -0.171 4.305 4.480 -0.007 0.000 0.264 129 M C 0.719 176.976 176.300 -0.072 0.000 1.063 129 M CA 1.486 56.726 55.300 -0.100 0.000 1.114 129 M CB -0.266 32.298 32.600 -0.059 0.000 1.387 129 M HN 0.100 nan 8.290 nan 0.000 0.420 130 D N 0.263 120.628 120.400 -0.058 0.000 2.388 130 D HA 0.101 4.737 4.640 -0.007 0.000 0.221 130 D C -0.267 176.039 176.300 0.010 0.000 1.133 130 D CA 0.101 54.093 54.000 -0.013 0.000 0.831 130 D CB -0.018 40.790 40.800 0.013 0.000 0.962 130 D HN 0.167 nan 8.370 nan 0.000 0.502 131 K N 0.489 120.885 120.400 -0.008 0.000 3.356 131 K HA -0.158 4.158 4.320 -0.007 0.000 0.270 131 K C 0.741 177.453 176.600 0.187 0.000 0.901 131 K CA 0.452 56.795 56.287 0.095 0.000 0.688 131 K CB -1.626 30.924 32.500 0.083 0.000 1.460 131 K HN 0.243 nan 8.250 nan 0.000 0.458 132 G N 0.679 109.614 108.800 0.224 0.000 2.554 132 G HA2 0.033 3.989 3.960 -0.007 0.000 0.238 132 G HA3 0.033 3.989 3.960 -0.007 0.000 0.238 132 G C 0.547 175.621 174.900 0.289 0.000 1.259 132 G CA -0.361 44.890 45.100 0.251 0.000 0.843 132 G HN 0.465 nan 8.290 nan 0.000 0.582 133 E N 0.058 120.370 120.200 0.187 0.000 2.228 133 E HA 0.125 4.471 4.350 -0.007 0.000 0.197 133 E C 0.431 177.148 176.600 0.195 0.000 0.909 133 E CA 0.313 56.805 56.400 0.154 0.000 0.911 133 E CB 0.264 30.031 29.700 0.112 0.000 0.887 133 E HN 0.322 nan 8.360 nan 0.000 0.481 134 M N 0.726 120.426 119.600 0.168 0.000 2.464 134 M HA 0.492 4.968 4.480 -0.007 0.000 0.308 134 M C -0.910 175.475 176.300 0.141 0.000 1.127 134 M CA -0.753 54.639 55.300 0.154 0.000 0.913 134 M CB 2.126 34.781 32.600 0.090 0.000 1.689 134 M HN -0.144 nan 8.290 nan 0.000 0.445 135 R N 1.511 122.097 120.500 0.143 0.000 2.502 135 R HA 0.527 4.863 4.340 -0.007 0.000 0.298 135 R C -0.684 175.653 176.300 0.062 0.000 1.018 135 R CA -0.197 55.976 56.100 0.123 0.000 0.899 135 R CB 0.770 31.178 30.300 0.179 0.000 1.181 135 R HN 0.694 nan 8.270 nan 0.000 0.444 136 R N 3.782 124.307 120.500 0.041 0.000 3.516 136 R HA -0.315 4.021 4.340 -0.007 0.000 0.271 136 R C -0.319 175.962 176.300 -0.030 0.000 1.098 136 R CA 0.804 56.906 56.100 0.004 0.000 0.732 136 R CB -1.636 28.655 30.300 -0.014 0.000 1.152 136 R HN 0.965 nan 8.270 nan 0.000 0.455 137 N N -0.941 117.749 118.700 -0.017 0.000 2.753 137 N HA -0.179 4.557 4.740 -0.007 0.000 0.251 137 N C -0.769 174.682 175.510 -0.097 0.000 1.097 137 N CA 2.168 55.191 53.050 -0.045 0.000 0.786 137 N CB -0.216 38.246 38.487 -0.042 0.000 1.137 137 N HN 0.581 nan 8.380 nan 0.000 0.566 138 K N -0.325 120.022 120.400 -0.088 0.000 2.350 138 K HA 0.369 4.685 4.320 -0.007 0.000 0.241 138 K C -0.285 176.346 176.600 0.052 0.000 0.994 138 K CA -0.698 55.520 56.287 -0.114 0.000 0.839 138 K CB 0.971 33.366 32.500 -0.175 0.000 1.244 138 K HN -0.018 nan 8.250 nan 0.000 0.443 139 Y N 0.413 120.826 120.300 0.187 0.000 2.702 139 Y HA -0.105 4.446 4.550 0.001 0.000 0.336 139 Y C 0.748 176.821 175.900 0.287 0.000 1.235 139 Y CA -0.832 57.370 58.100 0.170 0.000 1.492 139 Y CB 0.223 38.745 38.460 0.104 0.000 1.308 139 Y HN 0.432 nan 8.280 nan 0.000 0.589 140 C N 4.199 123.727 119.300 0.380 0.000 2.634 140 C HA -0.197 4.259 4.460 -0.007 0.000 0.417 140 C C 2.020 177.226 174.990 0.361 0.000 1.334 140 C CA -0.899 58.364 59.018 0.408 0.000 1.829 140 C CB -0.307 27.680 27.740 0.413 0.000 2.665 140 C HN 1.102 nan 8.230 nan 0.000 0.614 141 W N 2.318 123.750 121.300 0.219 0.000 2.302 141 W HA -0.266 4.392 4.660 -0.004 0.000 0.320 141 W C 2.200 178.726 176.519 0.012 0.000 1.241 141 W CA 2.393 59.743 57.345 0.009 0.000 1.264 141 W CB -0.584 28.919 29.460 0.072 0.000 1.154 141 W HN 1.014 nan 8.180 nan 0.000 0.483 142 Y N 0.231 120.598 120.300 0.113 0.000 2.446 142 Y HA -0.186 4.353 4.550 -0.019 0.000 0.287 142 Y C 1.976 177.827 175.900 -0.083 0.000 1.159 142 Y CA 1.731 59.825 58.100 -0.009 0.000 1.297 142 Y CB -1.212 37.294 38.460 0.077 0.000 0.974 142 Y HN -0.072 nan 8.280 nan 0.000 0.557 143 L N 0.506 121.339 121.223 -0.650 0.000 2.375 143 L HA 0.106 4.442 4.340 -0.007 0.000 0.215 143 L C 0.773 177.401 176.870 -0.404 0.000 1.108 143 L CA -0.150 54.315 54.840 -0.627 0.000 0.830 143 L CB -0.154 41.533 42.059 -0.619 0.000 0.959 143 L HN 0.138 nan 8.230 nan 0.000 0.457 144 L N 1.018 122.016 121.223 -0.376 0.000 2.499 144 L HA -0.026 4.310 4.340 -0.007 0.000 0.273 144 L C 1.419 178.105 176.870 -0.306 0.000 1.195 144 L CA -0.279 54.353 54.840 -0.347 0.000 0.882 144 L CB 0.307 42.090 42.059 -0.460 0.000 1.133 144 L HN 0.047 nan 8.230 nan 0.000 0.483 145 K N 1.337 121.595 120.400 -0.235 0.000 2.280 145 K HA -0.107 4.210 4.320 -0.007 0.000 0.202 145 K C 1.026 177.525 176.600 -0.169 0.000 1.047 145 K CA 0.961 57.139 56.287 -0.181 0.000 0.942 145 K CB -0.115 32.300 32.500 -0.141 0.000 0.739 145 K HN 0.550 nan 8.250 nan 0.000 0.457 146 D N -0.052 120.229 120.400 -0.199 0.000 2.349 146 D HA -0.014 4.622 4.640 -0.007 0.000 0.215 146 D C 1.393 177.577 176.300 -0.194 0.000 1.016 146 D CA 0.349 54.247 54.000 -0.169 0.000 0.870 146 D CB 0.673 41.382 40.800 -0.153 0.000 0.917 146 D HN -0.082 nan 8.370 nan 0.000 0.524 147 V N -0.122 119.605 119.914 -0.313 0.000 3.240 147 V HA 0.090 4.206 4.120 -0.007 0.000 0.218 147 V C 0.317 176.288 176.094 -0.205 0.000 1.190 147 V CA -0.049 62.037 62.300 -0.357 0.000 1.280 147 V CB 0.159 31.425 31.823 -0.928 0.000 1.244 147 V HN 0.095 nan 8.190 nan 0.000 0.512 148 E N -0.461 119.609 120.200 -0.217 0.000 9.238 148 E HA -0.226 4.120 4.350 -0.007 0.000 0.434 148 E C 0.684 177.295 176.600 0.019 0.000 1.429 148 E CA 0.550 56.895 56.400 -0.092 0.000 2.485 148 E CB -1.026 28.632 29.700 -0.070 0.000 1.045 148 E HN 0.429 nan 8.360 nan 0.000 0.377 149 T N 0.394 115.005 114.554 0.095 0.000 2.821 149 T HA -0.188 4.158 4.350 -0.007 0.000 0.267 149 T C 1.746 176.503 174.700 0.095 0.000 1.046 149 T CA 1.882 64.069 62.100 0.146 0.000 1.139 149 T CB -0.242 68.710 68.868 0.139 0.000 0.871 149 T HN 0.476 nan 8.240 nan 0.000 0.454 150 K N 1.596 122.030 120.400 0.057 0.000 2.074 150 K HA -0.168 4.148 4.320 -0.007 0.000 0.209 150 K C 1.966 178.604 176.600 0.065 0.000 1.048 150 K CA 1.700 58.015 56.287 0.047 0.000 0.926 150 K CB -0.314 32.197 32.500 0.018 0.000 0.713 150 K HN 0.166 nan 8.250 nan 0.000 0.444 151 N N 1.217 119.953 118.700 0.061 0.000 2.171 151 N HA -0.054 4.682 4.740 -0.007 0.000 0.184 151 N C 2.019 177.667 175.510 0.230 0.000 1.021 151 N CA 1.458 54.576 53.050 0.114 0.000 0.854 151 N CB -0.387 38.152 38.487 0.086 0.000 0.994 151 N HN 0.411 nan 8.380 nan 0.000 0.426 152 A N 0.984 123.943 122.820 0.233 0.000 1.940 152 A HA -0.110 4.206 4.320 -0.007 0.000 0.219 152 A C 2.499 180.241 177.584 0.264 0.000 1.176 152 A CA 1.352 53.602 52.037 0.356 0.000 0.631 152 A CB -0.749 18.466 19.000 0.358 0.000 0.814 152 A HN 0.116 nan 8.150 nan 0.000 0.446 153 V N 0.443 120.463 119.914 0.178 0.000 2.358 153 V HA -0.238 3.878 4.120 -0.007 0.000 0.246 153 V C 2.388 178.569 176.094 0.145 0.000 1.047 153 V CA 2.261 64.640 62.300 0.131 0.000 1.035 153 V CB -1.032 30.846 31.823 0.090 0.000 0.658 153 V HN 0.683 nan 8.190 nan 0.000 0.452 154 N N 0.310 119.109 118.700 0.164 0.000 2.188 154 N HA -0.157 4.579 4.740 -0.007 0.000 0.184 154 N C 1.444 177.094 175.510 0.234 0.000 1.018 154 N CA 1.406 54.566 53.050 0.182 0.000 0.858 154 N CB -0.174 38.420 38.487 0.178 0.000 0.989 154 N HN 0.442 nan 8.380 nan 0.000 0.426 155 D N -0.788 119.785 120.400 0.289 0.000 2.194 155 D HA -0.041 4.595 4.640 -0.007 0.000 0.204 155 D C 1.979 178.376 176.300 0.161 0.000 0.964 155 D CA 0.408 54.599 54.000 0.320 0.000 0.846 155 D CB -0.258 40.820 40.800 0.463 0.000 0.962 155 D HN 0.054 nan 8.370 nan 0.000 0.490 156 V N 1.183 121.184 119.914 0.144 0.000 2.332 156 V HA -0.236 3.880 4.120 -0.007 0.000 0.248 156 V C 2.583 178.736 176.094 0.098 0.000 1.055 156 V CA 1.276 63.627 62.300 0.084 0.000 1.038 156 V CB -0.434 31.443 31.823 0.090 0.000 0.651 156 V HN 0.210 nan 8.190 nan 0.000 0.450 157 L N -1.205 120.097 121.223 0.132 0.000 2.072 157 L HA -0.144 4.192 4.340 -0.007 0.000 0.205 157 L C 2.390 179.364 176.870 0.173 0.000 1.079 157 L CA 1.185 56.127 54.840 0.170 0.000 0.752 157 L CB -0.496 41.655 42.059 0.154 0.000 0.906 157 L HN 0.316 nan 8.230 nan 0.000 0.436 158 L N 0.024 121.341 121.223 0.157 0.000 1.956 158 L HA -0.277 4.059 4.340 -0.007 0.000 0.216 158 L C 2.494 179.365 176.870 0.001 0.000 1.073 158 L CA 1.789 56.705 54.840 0.125 0.000 0.762 158 L CB -0.364 41.799 42.059 0.174 0.000 0.889 158 L HN 0.075 nan 8.230 nan 0.000 0.433 159 L N -1.584 119.583 121.223 -0.093 0.000 2.034 159 L HA -0.338 3.998 4.340 -0.007 0.000 0.217 159 L C 2.550 179.362 176.870 -0.095 0.000 1.077 159 L CA 2.025 56.742 54.840 -0.205 0.000 0.769 159 L CB -0.971 40.951 42.059 -0.227 0.000 0.890 159 L HN 0.412 nan 8.230 nan 0.000 0.435 160 Y N 0.878 121.110 120.300 -0.112 0.000 2.145 160 Y HA -0.229 4.318 4.550 -0.006 0.000 0.286 160 Y C 2.539 178.460 175.900 0.034 0.000 1.145 160 Y CA 1.666 59.726 58.100 -0.066 0.000 1.148 160 Y CB -0.344 38.104 38.460 -0.020 0.000 0.981 160 Y HN 0.211 nan 8.280 nan 0.000 0.507 161 N N -0.315 118.368 118.700 -0.028 0.000 2.331 161 N HA -0.142 4.594 4.740 -0.007 0.000 0.180 161 N C 2.091 177.532 175.510 -0.116 0.000 1.019 161 N CA 1.237 54.270 53.050 -0.027 0.000 0.881 161 N CB -0.323 38.224 38.487 0.099 0.000 0.972 161 N HN 0.512 nan 8.380 nan 0.000 0.435 162 S N 1.402 116.905 115.700 -0.330 0.000 2.387 162 S HA -0.116 4.350 4.470 -0.007 0.000 0.230 162 S C 2.059 176.365 174.600 -0.491 0.000 1.035 162 S CA 0.626 58.329 58.200 -0.828 0.000 1.014 162 S CB -0.596 61.911 63.200 -1.156 0.000 0.836 162 S HN 0.227 nan 8.310 nan 0.000 0.466 163 I N 0.148 120.460 120.570 -0.430 0.000 2.118 163 I HA -0.224 3.942 4.170 -0.007 0.000 0.241 163 I C 2.367 178.129 176.117 -0.591 0.000 1.070 163 I CA 1.997 62.951 61.300 -0.577 0.000 1.327 163 I CB -0.544 36.929 38.000 -0.877 0.000 1.034 163 I HN 0.291 nan 8.210 nan 0.000 0.405 164 Y N 0.398 120.471 120.300 -0.378 0.000 2.373 164 Y HA -0.188 4.357 4.550 -0.007 0.000 0.293 164 Y C 2.457 178.277 175.900 -0.133 0.000 1.129 164 Y CA 1.040 58.975 58.100 -0.276 0.000 1.226 164 Y CB -0.351 37.950 38.460 -0.266 0.000 1.000 164 Y HN 0.038 nan 8.280 nan 0.000 0.549 165 K N 0.985 121.394 120.400 0.015 0.000 2.103 165 K HA -0.075 4.242 4.320 -0.007 0.000 0.204 165 K C 1.722 178.331 176.600 0.016 0.000 1.052 165 K CA 1.277 57.570 56.287 0.010 0.000 0.945 165 K CB -0.711 31.818 32.500 0.048 0.000 0.722 165 K HN 0.324 nan 8.250 nan 0.000 0.443 166 L N 0.253 121.477 121.223 0.002 0.000 2.017 166 L HA -0.107 4.229 4.340 -0.007 0.000 0.208 166 L C 2.314 179.266 176.870 0.136 0.000 1.073 166 L CA 1.267 56.168 54.840 0.103 0.000 0.745 166 L CB -0.363 41.718 42.059 0.037 0.000 0.894 166 L HN 0.128 nan 8.230 nan 0.000 0.432 167 I N -0.477 120.093 120.570 0.001 0.000 2.361 167 I HA -0.298 3.868 4.170 -0.007 0.000 0.251 167 I C 2.567 178.810 176.117 0.209 0.000 1.133 167 I CA 1.300 62.643 61.300 0.073 0.000 1.413 167 I CB -0.389 37.569 38.000 -0.070 0.000 1.073 167 I HN 0.388 nan 8.210 nan 0.000 0.424 168 E N 1.782 122.088 120.200 0.178 0.000 2.047 168 E HA -0.206 4.140 4.350 -0.007 0.000 0.191 168 E C 2.371 178.907 176.600 -0.107 0.000 0.987 168 E CA 1.253 57.694 56.400 0.068 0.000 0.799 168 E CB -0.013 29.749 29.700 0.103 0.000 0.752 168 E HN 0.448 nan 8.360 nan 0.000 0.449 169 I N -0.047 120.448 120.570 -0.125 0.000 2.208 169 I HA -0.296 3.870 4.170 -0.007 0.000 0.245 169 I C 1.719 177.564 176.117 -0.453 0.000 1.097 169 I CA 1.421 62.519 61.300 -0.336 0.000 1.363 169 I CB -0.199 37.513 38.000 -0.481 0.000 1.051 169 I HN 0.221 nan 8.210 nan 0.000 0.413 170 Y N -1.222 119.078 120.300 -0.000 0.000 2.524 170 Y HA 0.176 4.722 4.550 -0.007 0.000 0.270 170 Y C 1.455 177.352 175.900 -0.006 0.000 1.094 170 Y CA 0.155 58.270 58.100 0.025 0.000 1.276 170 Y CB 0.408 38.915 38.460 0.078 0.000 1.130 170 Y HN -0.015 nan 8.280 nan 0.000 0.536 171 L N -0.377 120.883 121.223 0.062 0.000 3.135 171 L HA 0.223 4.559 4.340 -0.007 0.000 0.279 171 L C 1.967 178.693 176.870 -0.240 0.000 1.200 171 L CA 0.031 54.886 54.840 0.026 0.000 1.016 171 L CB 0.113 42.269 42.059 0.162 0.000 1.391 171 L HN 0.019 nan 8.230 nan 0.000 0.588 172 R N -0.246 119.935 120.500 -0.532 0.000 2.127 172 R HA -0.105 4.231 4.340 -0.007 0.000 0.238 172 R C 0.716 176.654 176.300 -0.603 0.000 1.134 172 R CA 2.095 57.514 56.100 -1.134 0.000 0.975 172 R CB -0.613 29.226 30.300 -0.768 0.000 0.865 172 R HN 0.397 nan 8.270 nan 0.000 0.447 173 N N 0.388 118.928 118.700 -0.266 0.000 2.280 173 N HA 0.034 4.770 4.740 -0.007 0.000 0.192 173 N C -0.631 174.862 175.510 -0.027 0.000 1.109 173 N CA -0.254 52.730 53.050 -0.110 0.000 0.855 173 N CB 0.383 38.828 38.487 -0.069 0.000 0.974 173 N HN 0.160 nan 8.380 nan 0.000 0.482 174 E N 0.697 120.892 120.200 -0.009 0.000 2.373 174 E HA -0.009 4.338 4.350 -0.007 0.000 0.267 174 E C 0.911 177.579 176.600 0.113 0.000 1.032 174 E CA 0.037 56.480 56.400 0.072 0.000 0.889 174 E CB 1.241 31.006 29.700 0.107 0.000 0.984 174 E HN 0.238 nan 8.360 nan 0.000 0.425 175 S N 0.977 116.741 115.700 0.105 0.000 2.453 175 S HA -0.138 4.328 4.470 -0.007 0.000 0.231 175 S C 1.874 176.550 174.600 0.126 0.000 1.005 175 S CA 0.914 59.178 58.200 0.106 0.000 0.949 175 S CB -0.466 62.785 63.200 0.085 0.000 0.774 175 S HN 0.680 nan 8.310 nan 0.000 0.510 176 C N -0.649 118.733 119.300 0.137 0.000 2.626 176 C HA 0.356 4.812 4.460 -0.007 0.000 0.266 176 C C 2.067 177.156 174.990 0.163 0.000 1.317 176 C CA -0.520 58.576 59.018 0.129 0.000 1.716 176 C CB -2.265 25.547 27.740 0.120 0.000 1.819 176 C HN 0.515 nan 8.230 nan 0.000 0.578 177 Y N 2.775 123.107 120.300 0.054 0.000 2.040 177 Y HA -0.220 4.326 4.550 -0.007 0.000 0.275 177 Y C 2.317 178.254 175.900 0.062 0.000 1.171 177 Y CA 2.406 60.538 58.100 0.053 0.000 1.123 177 Y CB -0.783 37.703 38.460 0.044 0.000 0.963 177 Y HN 0.259 nan 8.280 nan 0.000 0.493 178 V N 0.411 120.297 119.914 -0.047 0.000 2.358 178 V HA -0.259 3.857 4.120 -0.007 0.000 0.246 178 V C 2.121 178.174 176.094 -0.068 0.000 1.047 178 V CA 2.134 64.348 62.300 -0.144 0.000 1.035 178 V CB -0.691 31.116 31.823 -0.028 0.000 0.658 178 V HN 0.355 nan 8.190 nan 0.000 0.452 179 D N -0.076 120.319 120.400 -0.007 0.000 2.178 179 D HA -0.121 4.515 4.640 -0.007 0.000 0.201 179 D C 2.115 178.425 176.300 0.017 0.000 0.980 179 D CA 1.080 55.080 54.000 -0.001 0.000 0.842 179 D CB -0.077 40.722 40.800 -0.002 0.000 0.948 179 D HN 0.319 nan 8.370 nan 0.000 0.472 180 V N 1.979 121.916 119.914 0.038 0.000 2.323 180 V HA -0.174 3.942 4.120 -0.007 0.000 0.244 180 V C 2.533 178.737 176.094 0.185 0.000 1.041 180 V CA 1.206 63.573 62.300 0.112 0.000 1.025 180 V CB -0.453 31.454 31.823 0.139 0.000 0.656 180 V HN 0.281 nan 8.190 nan 0.000 0.451 181 I N -0.188 120.406 120.570 0.040 0.000 2.315 181 I HA -0.112 4.054 4.170 -0.007 0.000 0.248 181 I C 2.396 178.647 176.117 0.224 0.000 1.117 181 I CA 1.884 63.259 61.300 0.125 0.000 1.404 181 I CB -0.831 37.148 38.000 -0.035 0.000 1.071 181 I HN 0.175 nan 8.210 nan 0.000 0.419 182 A N 1.731 124.615 122.820 0.107 0.000 1.933 182 A HA -0.136 4.180 4.320 -0.007 0.000 0.218 182 A C 2.331 180.005 177.584 0.151 0.000 1.175 182 A CA 2.480 54.581 52.037 0.106 0.000 0.628 182 A CB -1.268 17.759 19.000 0.045 0.000 0.814 182 A HN 0.553 nan 8.150 nan 0.000 0.444 183 T N -0.770 113.868 114.554 0.140 0.000 2.737 183 T HA -0.093 4.253 4.350 -0.007 0.000 0.265 183 T C 1.558 176.344 174.700 0.143 0.000 1.038 183 T CA 1.527 63.691 62.100 0.107 0.000 1.144 183 T CB -0.422 68.437 68.868 -0.016 0.000 0.866 183 T HN 0.404 nan 8.240 nan 0.000 0.434 184 F N 1.183 121.201 119.950 0.113 0.000 2.102 184 F HA -0.015 4.507 4.527 -0.007 0.000 0.298 184 F C 2.705 178.677 175.800 0.287 0.000 1.105 184 F CA 1.157 59.246 58.000 0.148 0.000 1.239 184 F CB -0.211 38.782 39.000 -0.012 0.000 0.991 184 F HN -0.066 nan 8.300 nan 0.000 0.474 185 R N 0.549 121.355 120.500 0.509 0.000 2.083 185 R HA -0.169 4.167 4.340 -0.007 0.000 0.237 185 R C 1.847 178.311 176.300 0.274 0.000 1.137 185 R CA 2.085 58.424 56.100 0.398 0.000 0.951 185 R CB -0.435 30.014 30.300 0.248 0.000 0.851 185 R HN 0.138 nan 8.270 nan 0.000 0.434 186 D N -0.463 120.062 120.400 0.208 0.000 2.149 186 D HA -0.041 4.595 4.640 -0.007 0.000 0.201 186 D C 1.639 178.007 176.300 0.112 0.000 0.972 186 D CA 1.359 55.436 54.000 0.128 0.000 0.835 186 D CB -0.171 40.688 40.800 0.098 0.000 0.966 186 D HN 0.369 nan 8.370 nan 0.000 0.476 187 A N 0.370 123.314 122.820 0.206 0.000 1.969 187 A HA -0.122 4.194 4.320 -0.007 0.000 0.218 187 A C 2.320 180.083 177.584 0.299 0.000 1.169 187 A CA 1.711 53.910 52.037 0.269 0.000 0.635 187 A CB -0.716 18.488 19.000 0.340 0.000 0.810 187 A HN 0.171 nan 8.150 nan 0.000 0.445 188 T N 0.591 115.361 114.554 0.360 0.000 2.737 188 T HA -0.084 4.262 4.350 -0.007 0.000 0.265 188 T C 1.791 176.618 174.700 0.212 0.000 1.038 188 T CA 1.273 63.630 62.100 0.429 0.000 1.144 188 T CB -0.275 68.906 68.868 0.521 0.000 0.866 188 T HN 0.190 nan 8.240 nan 0.000 0.434 189 L N 1.371 122.680 121.223 0.143 0.000 1.990 189 L HA -0.106 4.230 4.340 -0.007 0.000 0.213 189 L C 2.373 179.256 176.870 0.022 0.000 1.072 189 L CA 1.870 56.743 54.840 0.055 0.000 0.755 189 L CB -1.151 40.929 42.059 0.035 0.000 0.889 189 L HN 0.296 nan 8.230 nan 0.000 0.432 190 K N -1.029 119.375 120.400 0.006 0.000 2.044 190 K HA -0.185 4.131 4.320 -0.007 0.000 0.210 190 K C 1.942 178.592 176.600 0.083 0.000 1.049 190 K CA 2.070 58.369 56.287 0.020 0.000 0.927 190 K CB -0.259 32.073 32.500 -0.281 0.000 0.713 190 K HN 0.363 nan 8.250 nan 0.000 0.443 191 T N 1.584 116.156 114.554 0.030 0.000 2.746 191 T HA -0.119 4.227 4.350 -0.007 0.000 0.267 191 T C 1.910 176.492 174.700 -0.198 0.000 1.039 191 T CA 1.270 63.288 62.100 -0.138 0.000 1.142 191 T CB -0.257 68.285 68.868 -0.544 0.000 0.866 191 T HN 0.137 nan 8.240 nan 0.000 0.444 192 I N 0.515 121.000 120.570 -0.142 0.000 2.118 192 I HA -0.189 3.977 4.170 -0.007 0.000 0.241 192 I C 2.196 178.299 176.117 -0.023 0.000 1.070 192 I CA 1.158 62.413 61.300 -0.076 0.000 1.327 192 I CB -0.460 37.523 38.000 -0.028 0.000 1.034 192 I HN 0.139 nan 8.210 nan 0.000 0.405 193 I N 1.203 121.756 120.570 -0.027 0.000 2.208 193 I HA -0.217 3.949 4.170 -0.007 0.000 0.245 193 I C 2.571 178.693 176.117 0.009 0.000 1.097 193 I CA 1.769 63.045 61.300 -0.041 0.000 1.363 193 I CB -1.428 36.495 38.000 -0.130 0.000 1.051 193 I HN 0.212 nan 8.210 nan 0.000 0.413 194 G N -0.689 108.128 108.800 0.029 0.000 2.402 194 G HA2 -0.199 3.757 3.960 -0.007 0.000 0.216 194 G HA3 -0.199 3.757 3.960 -0.007 0.000 0.216 194 G C 1.529 176.443 174.900 0.023 0.000 1.162 194 G CA 0.236 45.373 45.100 0.061 0.000 0.777 194 G HN 0.321 nan 8.290 nan 0.000 0.539 195 Q N -0.095 119.701 119.800 -0.007 0.000 2.119 195 Q HA -0.110 4.226 4.340 -0.007 0.000 0.201 195 Q C 2.134 178.140 176.000 0.009 0.000 0.972 195 Q CA 1.608 57.397 55.803 -0.023 0.000 0.847 195 Q CB -0.474 28.223 28.738 -0.068 0.000 0.903 195 Q HN 0.797 nan 8.270 nan 0.000 0.433 196 H N 0.617 119.662 119.070 -0.042 0.000 2.321 196 H HA -0.042 4.510 4.556 -0.005 0.000 0.300 196 H C 2.059 177.385 175.328 -0.002 0.000 1.087 196 H CA 1.518 57.554 56.048 -0.020 0.000 1.319 196 H CB -0.098 29.660 29.762 -0.008 0.000 1.379 196 H HN 0.090 nan 8.280 nan 0.000 0.501 197 L N 0.320 121.587 121.223 0.073 0.000 2.017 197 L HA -0.182 4.154 4.340 -0.007 0.000 0.208 197 L C 2.506 179.326 176.870 -0.084 0.000 1.073 197 L CA 1.592 56.441 54.840 0.015 0.000 0.745 197 L CB -0.607 41.466 42.059 0.023 0.000 0.894 197 L HN 0.490 nan 8.230 nan 0.000 0.432 198 D N -0.366 119.991 120.400 -0.071 0.000 2.190 198 D HA -0.208 4.428 4.640 -0.007 0.000 0.200 198 D C 1.714 177.952 176.300 -0.103 0.000 0.992 198 D CA 1.808 55.758 54.000 -0.082 0.000 0.854 198 D CB 0.187 40.962 40.800 -0.041 0.000 0.936 198 D HN 0.241 nan 8.370 nan 0.000 0.462 199 T N -0.565 113.911 114.554 -0.130 0.000 3.044 199 T HA 0.116 4.462 4.350 -0.007 0.000 0.250 199 T C 1.148 175.732 174.700 -0.193 0.000 1.081 199 T CA 0.073 62.090 62.100 -0.138 0.000 1.040 199 T CB 0.262 69.053 68.868 -0.129 0.000 0.962 199 T HN 0.169 nan 8.240 nan 0.000 0.506 200 N N -0.064 118.484 118.700 -0.254 0.000 2.082 200 N HA 0.201 4.937 4.740 -0.007 0.000 0.228 200 N C 1.121 176.523 175.510 -0.180 0.000 1.341 200 N CA -0.022 52.835 53.050 -0.323 0.000 0.873 200 N CB 0.593 38.714 38.487 -0.611 0.000 1.137 200 N HN 0.181 nan 8.380 nan 0.000 0.505 201 I N 0.367 120.859 120.570 -0.130 0.000 2.423 201 I HA -0.148 4.018 4.170 -0.007 0.000 0.254 201 I C 0.779 176.873 176.117 -0.039 0.000 1.151 201 I CA 1.464 62.704 61.300 -0.100 0.000 1.421 201 I CB 0.014 37.815 38.000 -0.331 0.000 1.079 201 I HN -0.056 nan 8.210 nan 0.000 0.431 202 F N -0.334 119.622 119.950 0.009 0.000 2.678 202 F HA 0.302 4.824 4.527 -0.010 0.000 0.305 202 F C 1.567 177.351 175.800 -0.027 0.000 1.090 202 F CA -0.336 57.661 58.000 -0.006 0.000 1.272 202 F CB -1.115 37.883 39.000 -0.004 0.000 1.060 202 F HN -0.029 nan 8.300 nan 0.000 0.576 203 S N -0.293 115.453 115.700 0.077 0.000 2.584 203 S HA 0.017 4.483 4.470 -0.007 0.000 0.270 203 S C 1.155 175.737 174.600 -0.031 0.000 1.346 203 S CA -0.527 57.645 58.200 -0.047 0.000 1.018 203 S CB 0.985 64.045 63.200 -0.233 0.000 0.899 203 S HN 0.142 nan 8.310 nan 0.000 0.542 204 D N 1.704 122.081 120.400 -0.038 0.000 2.149 204 D HA -0.152 4.484 4.640 -0.007 0.000 0.198 204 D C 2.000 178.302 176.300 0.002 0.000 0.990 204 D CA 1.762 55.757 54.000 -0.008 0.000 0.839 204 D CB -0.237 40.554 40.800 -0.015 0.000 0.948 204 D HN 0.894 nan 8.370 nan 0.000 0.460 205 K N -0.015 120.347 120.400 -0.063 0.000 2.209 205 K HA -0.155 4.161 4.320 -0.007 0.000 0.204 205 K C 1.583 178.310 176.600 0.212 0.000 1.048 205 K CA 1.152 57.437 56.287 -0.004 0.000 0.940 205 K CB -0.457 31.982 32.500 -0.101 0.000 0.729 205 K HN 0.347 nan 8.250 nan 0.000 0.451 206 Y N 1.292 121.604 120.300 0.021 0.000 2.457 206 Y HA 0.205 4.753 4.550 -0.003 0.000 0.263 206 Y C 0.749 176.663 175.900 0.025 0.000 1.164 206 Y CA -1.185 56.928 58.100 0.022 0.000 1.274 206 Y CB 0.782 39.252 38.460 0.017 0.000 1.097 206 Y HN 0.009 nan 8.280 nan 0.000 0.523 211 R N 0.763 121.285 120.500 0.037 0.000 2.720 211 R HA 0.599 4.935 4.340 -0.007 0.000 0.272 211 R C 0.208 176.535 176.300 0.045 0.000 0.991 211 R CA 0.431 56.551 56.100 0.034 0.000 1.010 211 R CB 1.382 31.698 30.300 0.026 0.000 1.141 211 R HN 0.693 nan 8.270 nan 0.000 0.494 212 E N 2.117 122.339 120.200 0.036 0.000 2.374 212 E HA 0.179 4.525 4.350 -0.007 0.000 0.260 212 E C -0.134 176.488 176.600 0.036 0.000 1.101 212 E CA -0.595 55.829 56.400 0.039 0.000 0.907 212 E CB 0.303 30.020 29.700 0.028 0.000 1.014 212 E HN 0.463 nan 8.360 nan 0.000 0.427 213 I N 2.060 122.654 120.570 0.041 0.000 2.741 213 I HA -0.028 4.138 4.170 -0.007 0.000 0.288 213 I C 0.519 176.645 176.117 0.015 0.000 1.192 213 I CA 0.450 61.765 61.300 0.024 0.000 1.426 213 I CB 0.699 38.716 38.000 0.029 0.000 1.367 213 I HN 0.517 nan 8.210 nan 0.000 0.563 214 D N 6.217 126.621 120.400 0.006 0.000 2.336 214 D HA 0.092 4.728 4.640 -0.007 0.000 0.249 214 D C 0.887 177.189 176.300 0.003 0.000 1.213 214 D CA -0.206 53.796 54.000 0.004 0.000 0.870 214 D CB 1.102 41.902 40.800 0.001 0.000 1.076 214 D HN 0.334 nan 8.370 nan 0.000 0.483 215 V N 1.665 121.582 119.914 0.005 0.000 3.623 215 V HA 0.155 4.271 4.120 -0.007 0.000 0.271 215 V C 0.595 176.690 176.094 0.003 0.000 1.248 215 V CA 0.546 62.848 62.300 0.004 0.000 1.156 215 V CB -0.576 31.251 31.823 0.007 0.000 0.870 215 V HN 0.286 nan 8.190 nan 0.000 0.453 216 N N 0.841 119.542 118.700 0.002 0.000 2.184 216 N HA 0.151 4.887 4.740 -0.007 0.000 0.206 216 N C 0.349 175.858 175.510 -0.001 0.000 1.151 216 N CA -0.010 53.041 53.050 0.001 0.000 0.878 216 N CB 0.056 38.543 38.487 0.001 0.000 1.014 216 N HN 0.447 nan 8.380 nan 0.000 0.512 217 N N 1.642 120.341 118.700 -0.002 0.000 2.521 217 N HA 0.141 4.877 4.740 -0.007 0.000 0.236 217 N C 0.212 175.719 175.510 -0.005 0.000 1.067 217 N CA -0.283 52.765 53.050 -0.004 0.000 0.939 217 N CB 0.261 38.745 38.487 -0.006 0.000 1.201 217 N HN 0.275 nan 8.380 nan 0.000 0.511 218 I N -0.694 119.873 120.570 -0.004 0.000 4.018 218 I HA 0.444 4.610 4.170 -0.007 0.000 0.337 218 I C 0.323 176.436 176.117 -0.006 0.000 1.327 218 I CA -0.079 61.218 61.300 -0.005 0.000 1.100 218 I CB 0.236 38.234 38.000 -0.003 0.000 1.025 218 I HN 0.107 nan 8.210 nan 0.000 0.396 219 N N 0.648 119.345 118.700 -0.006 0.000 2.360 219 N HA 0.226 4.962 4.740 -0.007 0.000 0.211 219 N C 0.158 175.664 175.510 -0.007 0.000 1.147 219 N CA 0.409 53.455 53.050 -0.006 0.000 0.866 219 N CB 1.443 39.927 38.487 -0.005 0.000 1.206 219 N HN 0.116 nan 8.380 nan 0.000 0.478 220 V N 4.965 124.875 119.914 -0.008 0.000 2.288 220 V HA 0.299 4.415 4.120 -0.007 0.000 0.266 220 V C -2.039 174.048 176.094 -0.011 0.000 1.048 220 V CA -1.396 60.899 62.300 -0.008 0.000 0.842 220 V CB 0.622 32.441 31.823 -0.007 0.000 1.064 220 V HN 0.041 nan 8.190 nan 0.000 0.472 221 P HA 0.139 nan 4.420 nan 0.000 0.269 221 P C -0.098 177.193 177.300 -0.014 0.000 1.209 221 P CA -0.208 62.884 63.100 -0.013 0.000 0.776 221 P CB 1.033 32.726 31.700 -0.012 0.000 0.876 222 E N 1.622 121.811 120.200 -0.018 0.000 2.384 222 E HA -0.004 4.342 4.350 -0.007 0.000 0.266 222 E C -0.321 176.270 176.600 -0.014 0.000 1.012 222 E CA -0.348 56.041 56.400 -0.018 0.000 0.901 222 E CB 0.390 30.075 29.700 -0.025 0.000 0.967 222 E HN 0.247 nan 8.360 nan 0.000 0.435 223 Q N 4.600 124.393 119.800 -0.012 0.000 2.349 223 Q HA 0.296 4.632 4.340 -0.007 0.000 0.254 223 Q C -2.240 173.756 176.000 -0.007 0.000 0.980 223 Q CA -2.188 53.609 55.803 -0.010 0.000 0.924 223 Q CB 0.988 29.719 28.738 -0.011 0.000 1.209 223 Q HN 0.397 nan 8.270 nan 0.000 0.445 224 P HA 0.100 nan 4.420 nan 0.000 0.271 224 P C -0.767 176.534 177.300 0.003 0.000 1.216 224 P CA -0.196 62.912 63.100 0.013 0.000 0.771 224 P CB 0.742 32.455 31.700 0.023 0.000 0.864 225 V N 1.684 121.594 119.914 -0.007 0.000 2.888 225 V HA 0.563 4.679 4.120 -0.007 0.000 0.309 225 V C -0.015 175.974 176.094 -0.176 0.000 1.114 225 V CA -1.394 60.870 62.300 -0.061 0.000 0.940 225 V CB 1.626 33.415 31.823 -0.056 0.000 1.021 225 V HN 0.553 nan 8.190 nan 0.000 0.426 226 I N 0.007 120.349 120.570 -0.379 0.000 2.836 226 I HA 0.529 4.695 4.170 -0.007 0.000 0.285 226 I C -0.331 175.395 176.117 -0.653 0.000 1.174 226 I CA 0.411 61.103 61.300 -1.013 0.000 1.405 226 I CB 0.762 38.092 38.000 -1.118 0.000 1.385 226 I HN 0.783 nan 8.210 nan 0.000 0.594 227 D N 4.968 124.970 120.400 -0.664 0.000 2.441 227 D HA 0.352 4.988 4.640 -0.007 0.000 0.231 227 D C 0.841 177.035 176.300 -0.177 0.000 1.073 227 D CA -0.502 53.420 54.000 -0.130 0.000 0.850 227 D CB 1.178 42.090 40.800 0.187 0.000 1.062 227 D HN 0.623 nan 8.370 nan 0.000 0.524 228 I N 2.646 123.080 120.570 -0.226 0.000 2.286 228 I HA -0.266 3.900 4.170 -0.007 0.000 0.248 228 I C 1.524 177.538 176.117 -0.172 0.000 1.115 228 I CA 0.509 61.633 61.300 -0.295 0.000 1.392 228 I CB -0.115 37.813 38.000 -0.121 0.000 1.065 228 I HN 0.367 nan 8.210 nan 0.000 0.418 229 N N 0.520 119.183 118.700 -0.062 0.000 2.430 229 N HA -0.138 4.598 4.740 -0.007 0.000 0.186 229 N C 1.482 176.983 175.510 -0.014 0.000 1.032 229 N CA 1.154 54.190 53.050 -0.024 0.000 0.893 229 N CB -0.104 38.385 38.487 0.002 0.000 0.957 229 N HN 0.341 nan 8.380 nan 0.000 0.442 230 M N -0.115 119.500 119.600 0.023 0.000 2.441 230 M HA 0.223 4.699 4.480 -0.007 0.000 0.244 230 M C 0.288 176.585 176.300 -0.005 0.000 1.122 230 M CA 0.044 55.373 55.300 0.047 0.000 1.041 230 M CB 0.010 32.682 32.600 0.121 0.000 1.438 230 M HN -0.053 nan 8.290 nan 0.000 0.484 231 I N 2.913 123.415 120.570 -0.112 0.000 2.213 231 I HA 0.027 4.193 4.170 -0.007 0.000 0.295 231 I C -0.318 175.628 176.117 -0.286 0.000 1.172 231 I CA -0.257 60.877 61.300 -0.278 0.000 1.443 231 I CB -1.065 36.520 38.000 -0.692 0.000 1.491 231 I HN 0.294 nan 8.210 nan 0.000 0.652 232 N N 1.954 120.516 118.700 -0.230 0.000 2.591 232 N HA 0.306 5.042 4.740 -0.007 0.000 0.263 232 N C -0.170 175.246 175.510 -0.158 0.000 1.308 232 N CA -0.826 52.085 53.050 -0.232 0.000 0.837 232 N CB 0.697 39.138 38.487 -0.077 0.000 1.548 232 N HN -0.113 nan 8.380 nan 0.000 0.493 233 F N 0.003 119.971 119.950 0.030 0.000 2.407 233 F HA 0.259 4.782 4.527 -0.006 0.000 0.299 233 F C 2.316 178.213 175.800 0.162 0.000 1.097 233 F CA 1.257 59.322 58.000 0.107 0.000 1.422 233 F CB -0.478 38.574 39.000 0.087 0.000 1.067 233 F HN 0.825 nan 8.300 nan 0.000 0.539 234 G N 0.009 108.967 108.800 0.263 0.000 2.433 234 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.216 234 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.216 234 G C 1.859 176.852 174.900 0.155 0.000 1.186 234 G CA 1.262 46.471 45.100 0.182 0.000 0.779 234 G HN 0.225 nan 8.290 nan 0.000 0.543 235 V N -0.095 119.889 119.914 0.117 0.000 2.295 235 V HA -0.217 3.899 4.120 -0.007 0.000 0.246 235 V C 2.310 178.477 176.094 0.122 0.000 1.049 235 V CA 1.870 64.218 62.300 0.079 0.000 1.024 235 V CB -0.793 31.044 31.823 0.023 0.000 0.648 235 V HN 0.473 nan 8.190 nan 0.000 0.447 236 Y N 1.135 121.471 120.300 0.059 0.000 2.165 236 Y HA -0.263 4.282 4.550 -0.008 0.000 0.286 236 Y C 2.502 178.502 175.900 0.167 0.000 1.155 236 Y CA 1.973 60.140 58.100 0.112 0.000 1.164 236 Y CB -0.157 38.409 38.460 0.178 0.000 0.978 236 Y HN 0.168 nan 8.280 nan 0.000 0.513 237 K N 0.156 120.713 120.400 0.262 0.000 2.057 237 K HA -0.169 4.147 4.320 -0.007 0.000 0.206 237 K C 1.906 178.558 176.600 0.087 0.000 1.050 237 K CA 1.538 57.919 56.287 0.155 0.000 0.935 237 K CB -0.318 32.307 32.500 0.208 0.000 0.715 237 K HN 0.473 nan 8.250 nan 0.000 0.439 238 N N 0.734 119.502 118.700 0.114 0.000 2.036 238 N HA -0.237 4.499 4.740 -0.007 0.000 0.199 238 N C 1.857 177.471 175.510 0.173 0.000 1.036 238 N CA 1.593 54.732 53.050 0.148 0.000 0.870 238 N CB -0.226 38.309 38.487 0.078 0.000 1.055 238 N HN 0.102 nan 8.380 nan 0.000 0.436 239 I N 0.488 121.076 120.570 0.029 0.000 2.142 239 I HA -0.227 3.939 4.170 -0.007 0.000 0.240 239 I C 2.267 178.386 176.117 0.003 0.000 1.078 239 I CA 0.972 62.266 61.300 -0.011 0.000 1.343 239 I CB -0.299 37.639 38.000 -0.104 0.000 1.046 239 I HN 0.014 nan 8.210 nan 0.000 0.405 240 V N 1.672 121.506 119.914 -0.133 0.000 2.515 240 V HA -0.226 3.890 4.120 -0.007 0.000 0.250 240 V C 2.299 178.402 176.094 0.015 0.000 1.058 240 V CA 2.023 64.241 62.300 -0.137 0.000 1.064 240 V CB -0.343 31.225 31.823 -0.425 0.000 0.675 240 V HN 0.493 nan 8.190 nan 0.000 0.461 241 I N -1.885 118.707 120.570 0.038 0.000 2.439 241 I HA -0.162 4.004 4.170 -0.007 0.000 0.251 241 I C 2.233 178.397 176.117 0.079 0.000 1.139 241 I CA 1.782 63.087 61.300 0.010 0.000 1.438 241 I CB -0.703 37.262 38.000 -0.057 0.000 1.085 241 I HN 0.281 nan 8.210 nan 0.000 0.427 242 H N 2.009 121.185 119.070 0.177 0.000 2.343 242 H HA -0.001 4.550 4.556 -0.007 0.000 0.303 242 H C 2.005 177.423 175.328 0.149 0.000 1.068 242 H CA 2.025 58.183 56.048 0.183 0.000 1.359 242 H CB -0.136 29.663 29.762 0.063 0.000 1.402 242 H HN 0.450 nan 8.280 nan 0.000 0.515 243 K N -0.503 120.011 120.400 0.190 0.000 2.432 243 K HA 0.077 4.393 4.320 -0.007 0.000 0.196 243 K C 0.693 177.439 176.600 0.242 0.000 1.038 243 K CA 1.615 57.977 56.287 0.124 0.000 0.986 243 K CB 0.511 33.043 32.500 0.053 0.000 0.782 243 K HN 0.101 nan 8.250 nan 0.000 0.485 244 T N -0.484 114.218 114.554 0.247 0.000 3.250 244 T HA 0.236 4.582 4.350 -0.007 0.000 0.265 244 T C 1.785 176.572 174.700 0.145 0.000 0.973 244 T CA 0.240 62.477 62.100 0.229 0.000 1.040 244 T CB 0.120 69.132 68.868 0.239 0.000 1.167 244 T HN 0.252 nan 8.240 nan 0.000 0.471 245 A N 0.491 123.412 122.820 0.170 0.000 1.930 245 A HA 0.011 4.327 4.320 -0.007 0.000 0.217 245 A C 1.901 179.505 177.584 0.033 0.000 1.175 245 A CA 1.429 53.541 52.037 0.125 0.000 0.627 245 A CB -0.959 18.003 19.000 -0.063 0.000 0.815 245 A HN 0.548 nan 8.150 nan 0.000 0.443 246 Y N -1.105 119.271 120.300 0.126 0.000 2.145 246 Y HA -0.254 4.291 4.550 -0.007 0.000 0.286 246 Y C 2.384 178.425 175.900 0.235 0.000 1.145 246 Y CA 2.200 60.410 58.100 0.182 0.000 1.148 246 Y CB -0.528 38.009 38.460 0.128 0.000 0.981 246 Y HN 0.658 nan 8.280 nan 0.000 0.507 247 Y N -3.132 117.325 120.300 0.262 0.000 2.510 247 Y HA 0.237 4.783 4.550 -0.007 0.000 0.273 247 Y C 1.856 177.782 175.900 0.043 0.000 1.119 247 Y CA 0.634 58.846 58.100 0.188 0.000 1.286 247 Y CB -0.423 38.234 38.460 0.328 0.000 1.061 247 Y HN -0.144 nan 8.280 nan 0.000 0.542 248 S N -0.721 114.645 115.700 -0.555 0.000 2.492 248 S HA 0.235 4.701 4.470 -0.007 0.000 0.218 248 S C 0.629 174.620 174.600 -1.016 0.000 1.016 248 S CA 0.474 58.149 58.200 -0.874 0.000 0.916 248 S CB -0.067 62.610 63.200 -0.873 0.000 0.791 248 S HN 0.497 nan 8.310 nan 0.000 0.513 249 F N -1.654 118.179 119.950 -0.194 0.000 2.334 249 F HA 0.361 4.884 4.527 -0.007 0.000 0.269 249 F C 1.348 177.105 175.800 -0.071 0.000 0.879 249 F CA -0.546 57.359 58.000 -0.157 0.000 1.102 249 F CB -0.454 38.450 39.000 -0.160 0.000 1.032 249 F HN 0.103 nan 8.300 nan 0.000 0.782 250 F N 1.232 121.175 119.950 -0.011 0.000 2.134 250 F HA -0.134 4.389 4.527 -0.007 0.000 0.299 250 F C 2.134 177.923 175.800 -0.019 0.000 1.097 250 F CA 1.380 59.360 58.000 -0.033 0.000 1.264 250 F CB -0.479 38.469 39.000 -0.087 0.000 1.001 250 F HN -0.026 nan 8.300 nan 0.000 0.479 251 L N 1.709 122.901 121.223 -0.051 0.000 2.005 251 L HA -0.020 4.316 4.340 -0.007 0.000 0.207 251 L C -0.754 175.930 176.870 -0.309 0.000 1.072 251 L CA 1.935 56.634 54.840 -0.235 0.000 0.744 251 L CB -2.039 39.915 42.059 -0.175 0.000 0.895 251 L HN -0.017 nan 8.230 nan 0.000 0.433 252 P HA -0.166 nan 4.420 nan 0.000 0.216 252 P C 2.089 179.273 177.300 -0.193 0.000 1.153 252 P CA 1.883 64.843 63.100 -0.233 0.000 0.848 252 P CB -0.100 31.452 31.700 -0.246 0.000 0.787 253 I N -0.745 119.718 120.570 -0.177 0.000 2.179 253 I HA -0.180 3.986 4.170 -0.007 0.000 0.242 253 I C 2.497 178.524 176.117 -0.149 0.000 1.088 253 I CA 1.200 62.416 61.300 -0.141 0.000 1.357 253 I CB -1.045 36.893 38.000 -0.104 0.000 1.051 253 I HN -0.212 nan 8.210 nan 0.000 0.409 254 V N 0.341 120.103 119.914 -0.254 0.000 2.332 254 V HA -0.328 3.788 4.120 -0.007 0.000 0.248 254 V C 2.667 178.702 176.094 -0.097 0.000 1.055 254 V CA 1.829 64.010 62.300 -0.198 0.000 1.038 254 V CB -0.722 30.762 31.823 -0.564 0.000 0.651 254 V HN 0.581 nan 8.190 nan 0.000 0.450 255 C N 0.753 119.962 119.300 -0.151 0.000 2.413 255 C HA -0.120 4.336 4.460 -0.007 0.000 0.277 255 C C 2.982 177.963 174.990 -0.015 0.000 1.228 255 C CA 1.132 60.103 59.018 -0.078 0.000 1.731 255 C CB -1.655 26.020 27.740 -0.108 0.000 2.042 255 C HN 0.689 nan 8.230 nan 0.000 0.468 256 G N -0.351 108.438 108.800 -0.019 0.000 2.432 256 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.219 256 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.219 256 G C 1.583 176.566 174.900 0.138 0.000 1.135 256 G CA 0.770 45.913 45.100 0.072 0.000 0.767 256 G HN 0.532 nan 8.290 nan 0.000 0.550 257 M N -0.296 119.343 119.600 0.065 0.000 2.200 257 M HA 0.168 4.644 4.480 -0.007 0.000 0.265 257 M C 2.456 178.857 176.300 0.167 0.000 1.066 257 M CA 0.813 56.152 55.300 0.065 0.000 1.127 257 M CB -0.222 32.370 32.600 -0.013 0.000 1.379 257 M HN 0.128 nan 8.290 nan 0.000 0.420 258 L N -0.412 120.920 121.223 0.181 0.000 2.056 258 L HA -0.182 4.154 4.340 -0.007 0.000 0.207 258 L C 2.391 179.357 176.870 0.160 0.000 1.078 258 L CA 0.607 55.547 54.840 0.166 0.000 0.749 258 L CB -0.526 41.588 42.059 0.091 0.000 0.901 258 L HN 0.270 nan 8.230 nan 0.000 0.433 259 L N -0.050 121.275 121.223 0.171 0.000 2.109 259 L HA -0.014 4.322 4.340 -0.007 0.000 0.207 259 L C 2.514 179.613 176.870 0.382 0.000 1.086 259 L CA 1.778 56.739 54.840 0.203 0.000 0.760 259 L CB -0.670 41.414 42.059 0.041 0.000 0.910 259 L HN 0.123 nan 8.230 nan 0.000 0.437 260 A N -0.899 122.158 122.820 0.396 0.000 2.121 260 A HA 0.290 4.606 4.320 -0.007 0.000 0.218 260 A C 1.666 179.315 177.584 0.107 0.000 1.154 260 A CA 0.945 53.081 52.037 0.164 0.000 0.679 260 A CB -0.845 18.126 19.000 -0.049 0.000 0.795 260 A HN 0.876 nan 8.150 nan 0.000 0.458 261 G N -1.275 107.607 108.800 0.136 0.000 2.151 261 G HA2 -0.133 3.823 3.960 -0.007 0.000 0.156 261 G HA3 -0.133 3.823 3.960 -0.007 0.000 0.156 261 G C -0.080 174.887 174.900 0.111 0.000 1.017 261 G CA -0.117 45.053 45.100 0.117 0.000 0.686 261 G HN 0.392 nan 8.290 nan 0.000 0.503 262 I N 1.759 122.406 120.570 0.128 0.000 2.379 262 I HA 0.491 4.657 4.170 -0.007 0.000 0.290 262 I C 1.246 177.527 176.117 0.274 0.000 1.063 262 I CA -0.067 61.314 61.300 0.135 0.000 1.351 262 I CB 1.083 39.080 38.000 -0.005 0.000 1.410 262 I HN 0.340 nan 8.210 nan 0.000 0.505 267 L N 3.013 124.299 121.223 0.105 0.000 2.456 267 L HA 0.104 4.440 4.340 -0.007 0.000 0.224 267 L C 2.540 179.446 176.870 0.061 0.000 1.148 267 L CA 0.840 55.734 54.840 0.091 0.000 0.825 267 L CB -1.347 40.750 42.059 0.063 0.000 0.937 267 L HN 0.729 nan 8.230 nan 0.000 0.450 268 I N -1.773 118.796 120.570 -0.000 0.000 2.454 268 I HA -0.269 3.897 4.170 -0.007 0.000 0.254 268 I C 2.366 178.425 176.117 -0.096 0.000 1.156 268 I CA 1.522 62.767 61.300 -0.092 0.000 1.433 268 I CB -0.063 37.821 38.000 -0.193 0.000 1.082 268 I HN 0.289 nan 8.210 nan 0.000 0.432 269 Y N 0.554 120.889 120.300 0.059 0.000 2.224 269 Y HA -0.265 4.281 4.550 -0.007 0.000 0.289 269 Y C 2.912 178.912 175.900 0.167 0.000 1.146 269 Y CA 1.631 59.803 58.100 0.120 0.000 1.182 269 Y CB -0.898 37.639 38.460 0.129 0.000 0.983 269 Y HN -0.002 nan 8.280 nan 0.000 0.524 270 K N 0.602 121.143 120.400 0.235 0.000 2.097 270 K HA -0.128 4.188 4.320 -0.007 0.000 0.205 270 K C 1.950 178.588 176.600 0.064 0.000 1.050 270 K CA 1.464 57.828 56.287 0.129 0.000 0.938 270 K CB -0.318 32.233 32.500 0.085 0.000 0.718 270 K HN 0.414 nan 8.250 nan 0.000 0.442 271 K N 0.055 120.477 120.400 0.037 0.000 2.057 271 K HA -0.014 4.302 4.320 -0.007 0.000 0.207 271 K C 2.090 178.685 176.600 -0.009 0.000 1.049 271 K CA 1.672 57.950 56.287 -0.014 0.000 0.931 271 K CB -0.226 32.243 32.500 -0.052 0.000 0.714 271 K HN 0.187 nan 8.250 nan 0.000 0.440 272 I N 1.399 121.994 120.570 0.041 0.000 2.252 272 I HA -0.211 3.955 4.170 -0.007 0.000 0.245 272 I C 2.324 178.547 176.117 0.175 0.000 1.102 272 I CA 1.398 62.749 61.300 0.086 0.000 1.385 272 I CB -0.893 37.163 38.000 0.094 0.000 1.064 272 I HN 0.298 nan 8.210 nan 0.000 0.414 273 E N 1.062 121.391 120.200 0.215 0.000 2.049 273 E HA -0.269 4.077 4.350 -0.007 0.000 0.198 273 E C 1.734 178.239 176.600 -0.159 0.000 1.007 273 E CA 1.858 58.196 56.400 -0.104 0.000 0.809 273 E CB 0.121 29.642 29.700 -0.298 0.000 0.749 273 E HN 0.371 nan 8.360 nan 0.000 0.450 274 D N 0.236 120.578 120.400 -0.097 0.000 2.123 274 D HA -0.182 4.454 4.640 -0.007 0.000 0.196 274 D C 2.034 178.261 176.300 -0.122 0.000 0.992 274 D CA 1.031 54.968 54.000 -0.106 0.000 0.833 274 D CB -0.284 40.473 40.800 -0.072 0.000 0.954 274 D HN 0.301 nan 8.370 nan 0.000 0.455 275 I N 0.812 121.317 120.570 -0.109 0.000 2.226 275 I HA -0.259 3.907 4.170 -0.007 0.000 0.245 275 I C 2.364 178.368 176.117 -0.188 0.000 1.100 275 I CA 0.896 62.109 61.300 -0.145 0.000 1.374 275 I CB -0.125 37.799 38.000 -0.127 0.000 1.057 275 I HN -0.107 nan 8.210 nan 0.000 0.413 276 S N 0.325 115.943 115.700 -0.136 0.000 2.383 276 S HA -0.165 4.301 4.470 -0.007 0.000 0.229 276 S C 1.989 176.441 174.600 -0.246 0.000 1.030 276 S CA 1.264 59.379 58.200 -0.141 0.000 1.002 276 S CB -0.159 63.061 63.200 0.034 0.000 0.829 276 S HN 0.299 nan 8.310 nan 0.000 0.467 277 M N 0.628 120.074 119.600 -0.256 0.000 2.099 277 M HA 0.035 4.511 4.480 -0.007 0.000 0.262 277 M C 1.982 178.190 176.300 -0.154 0.000 1.067 277 M CA 1.083 56.247 55.300 -0.227 0.000 1.124 277 M CB -1.620 30.856 32.600 -0.206 0.000 1.353 277 M HN 0.234 nan 8.290 nan 0.000 0.410 278 L N -0.028 121.099 121.223 -0.161 0.000 2.081 278 L HA -0.149 4.187 4.340 -0.007 0.000 0.212 278 L C 2.442 179.208 176.870 -0.174 0.000 1.080 278 L CA 1.831 56.588 54.840 -0.139 0.000 0.754 278 L CB -0.891 41.065 42.059 -0.172 0.000 0.893 278 L HN 0.323 nan 8.230 nan 0.000 0.433 279 M N -2.127 117.256 119.600 -0.362 0.000 2.288 279 M HA -0.028 4.448 4.480 -0.007 0.000 0.266 279 M C 2.098 178.048 176.300 -0.583 0.000 1.072 279 M CA 1.282 56.201 55.300 -0.634 0.000 1.132 279 M CB -0.592 31.288 32.600 -1.201 0.000 1.386 279 M HN 0.337 nan 8.290 nan 0.000 0.432 280 G N 0.061 108.638 108.800 -0.373 0.000 2.394 280 G HA2 -0.210 3.746 3.960 -0.007 0.000 0.215 280 G HA3 -0.210 3.746 3.960 -0.007 0.000 0.215 280 G C 1.305 176.318 174.900 0.189 0.000 1.165 280 G CA 0.717 45.858 45.100 0.068 0.000 0.784 280 G HN 0.518 nan 8.290 nan 0.000 0.535 281 E N -0.321 119.953 120.200 0.123 0.000 2.023 281 E HA -0.252 4.094 4.350 -0.007 0.000 0.196 281 E C 2.070 178.858 176.600 0.313 0.000 1.003 281 E CA 1.173 57.694 56.400 0.202 0.000 0.809 281 E CB -0.449 29.365 29.700 0.190 0.000 0.755 281 E HN 0.487 nan 8.360 nan 0.000 0.449 282 Y N 0.088 120.507 120.300 0.199 0.000 2.102 282 Y HA -0.319 4.227 4.550 -0.006 0.000 0.280 282 Y C 2.131 178.272 175.900 0.403 0.000 1.178 282 Y CA 2.345 60.626 58.100 0.301 0.000 1.146 282 Y CB -0.530 37.996 38.460 0.110 0.000 0.968 282 Y HN 0.200 nan 8.280 nan 0.000 0.504 283 F N 0.972 121.079 119.950 0.262 0.000 2.146 283 F HA -0.159 4.365 4.527 -0.006 0.000 0.298 283 F C 2.459 178.393 175.800 0.224 0.000 1.096 283 F CA 2.034 60.215 58.000 0.303 0.000 1.275 283 F CB -0.752 38.530 39.000 0.470 0.000 1.008 283 F HN 0.180 nan 8.300 nan 0.000 0.480 284 Q N 0.560 120.488 119.800 0.213 0.000 2.172 284 Q HA -0.077 4.259 4.340 -0.007 0.000 0.200 284 Q C 2.060 178.108 176.000 0.080 0.000 0.964 284 Q CA 1.763 57.617 55.803 0.085 0.000 0.855 284 Q CB -0.460 28.353 28.738 0.125 0.000 0.918 284 Q HN 0.582 nan 8.270 nan 0.000 0.444 285 I N -0.229 120.398 120.570 0.096 0.000 2.315 285 I HA -0.270 3.896 4.170 -0.007 0.000 0.248 285 I C 2.416 178.437 176.117 -0.159 0.000 1.117 285 I CA 1.274 62.543 61.300 -0.052 0.000 1.404 285 I CB -0.484 37.238 38.000 -0.463 0.000 1.071 285 I HN 0.423 nan 8.210 nan 0.000 0.419 286 H N 0.820 119.723 119.070 -0.277 0.000 2.387 286 H HA -0.250 4.303 4.556 -0.006 0.000 0.299 286 H C 1.744 176.817 175.328 -0.425 0.000 1.099 286 H CA 2.370 58.088 56.048 -0.551 0.000 1.315 286 H CB 0.078 29.341 29.762 -0.832 0.000 1.380 286 H HN 0.388 nan 8.280 nan 0.000 0.513 287 D N -0.194 119.979 120.400 -0.378 0.000 2.097 287 D HA -0.131 4.505 4.640 -0.007 0.000 0.197 287 D C 1.667 177.838 176.300 -0.214 0.000 0.984 287 D CA 1.408 55.206 54.000 -0.337 0.000 0.826 287 D CB -0.078 40.563 40.800 -0.265 0.000 0.973 287 D HN 0.297 nan 8.370 nan 0.000 0.460 288 D N -0.848 119.496 120.400 -0.093 0.000 2.123 288 D HA -0.210 4.426 4.640 -0.007 0.000 0.196 288 D C 1.632 177.899 176.300 -0.055 0.000 0.992 288 D CA 0.838 54.837 54.000 -0.001 0.000 0.833 288 D CB -0.565 40.324 40.800 0.148 0.000 0.954 288 D HN 0.369 nan 8.370 nan 0.000 0.455 289 Y N 1.168 121.300 120.300 -0.280 0.000 2.128 289 Y HA -0.192 4.355 4.550 -0.005 0.000 0.284 289 Y C 2.078 177.837 175.900 -0.235 0.000 1.154 289 Y CA 1.468 59.381 58.100 -0.311 0.000 1.149 289 Y CB -0.425 37.493 38.460 -0.903 0.000 0.976 289 Y HN -0.045 nan 8.280 nan 0.000 0.505 290 L N 0.056 121.035 121.223 -0.407 0.000 2.201 290 L HA -0.204 4.132 4.340 -0.007 0.000 0.212 290 L C 2.401 179.099 176.870 -0.287 0.000 1.105 290 L CA 1.530 56.138 54.840 -0.387 0.000 0.775 290 L CB -0.646 41.192 42.059 -0.368 0.000 0.913 290 L HN 0.366 nan 8.230 nan 0.000 0.440 291 D N 0.288 120.550 120.400 -0.230 0.000 2.144 291 D HA -0.173 4.463 4.640 -0.007 0.000 0.199 291 D C 2.111 178.278 176.300 -0.223 0.000 0.984 291 D CA 1.503 55.405 54.000 -0.164 0.000 0.834 291 D CB 0.380 41.127 40.800 -0.088 0.000 0.955 291 D HN 0.187 nan 8.370 nan 0.000 0.465 292 I N -0.594 119.763 120.570 -0.356 0.000 2.429 292 I HA -0.045 4.121 4.170 -0.007 0.000 0.247 292 I C 1.742 177.415 176.117 -0.741 0.000 1.099 292 I CA 0.442 61.386 61.300 -0.595 0.000 1.422 292 I CB -1.025 36.432 38.000 -0.905 0.000 1.112 292 I HN 0.044 nan 8.210 nan 0.000 0.430 293 F N 0.924 120.618 119.950 -0.426 0.000 2.695 293 F HA 0.546 5.071 4.527 -0.003 0.000 0.303 293 F C 1.684 177.284 175.800 -0.332 0.000 1.091 293 F CA -0.237 57.499 58.000 -0.440 0.000 1.300 293 F CB -0.681 37.845 39.000 -0.789 0.000 1.071 293 F HN 0.128 nan 8.300 nan 0.000 0.578 294 G N -0.384 108.300 108.800 -0.194 0.000 2.621 294 G HA2 0.247 4.203 3.960 -0.007 0.000 0.271 294 G HA3 0.247 4.203 3.960 -0.007 0.000 0.271 294 G C -1.313 173.549 174.900 -0.063 0.000 1.236 294 G CA -0.179 44.852 45.100 -0.115 0.000 0.958 294 G HN 0.039 nan 8.290 nan 0.000 0.512 295 D N -1.545 118.837 120.400 -0.031 0.000 2.425 295 D HA 0.262 4.898 4.640 -0.007 0.000 0.240 295 D C 1.545 177.837 176.300 -0.013 0.000 1.080 295 D CA -0.253 53.739 54.000 -0.014 0.000 0.836 295 D CB 1.510 42.314 40.800 0.007 0.000 1.125 295 D HN 0.190 nan 8.370 nan 0.000 0.525 296 S N 1.834 117.525 115.700 -0.015 0.000 2.442 296 S HA -0.166 4.300 4.470 -0.007 0.000 0.236 296 S C 1.469 176.070 174.600 0.001 0.000 1.007 296 S CA 1.189 59.384 58.200 -0.008 0.000 0.965 296 S CB -0.400 62.798 63.200 -0.004 0.000 0.773 296 S HN 0.505 nan 8.310 nan 0.000 0.504 297 T N 1.618 116.173 114.554 0.003 0.000 2.985 297 T HA 0.101 4.447 4.350 -0.007 0.000 0.266 297 T C 1.638 176.345 174.700 0.011 0.000 1.076 297 T CA 1.089 63.192 62.100 0.004 0.000 1.135 297 T CB -0.098 68.773 68.868 0.005 0.000 0.890 297 T HN 0.514 nan 8.240 nan 0.000 0.480 298 K N 0.909 121.318 120.400 0.016 0.000 2.168 298 K HA 0.024 4.341 4.320 -0.007 0.000 0.201 298 K C 2.689 179.307 176.600 0.030 0.000 1.049 298 K CA 1.228 57.531 56.287 0.027 0.000 0.974 298 K CB -0.045 32.475 32.500 0.035 0.000 0.792 298 K HN 0.383 nan 8.250 nan 0.000 0.463 299 T N -2.319 112.245 114.554 0.016 0.000 3.023 299 T HA 0.057 4.403 4.350 -0.007 0.000 0.266 299 T C 1.584 176.299 174.700 0.025 0.000 1.093 299 T CA 0.818 62.927 62.100 0.015 0.000 1.129 299 T CB -0.041 68.817 68.868 -0.016 0.000 0.899 299 T HN 0.347 nan 8.240 nan 0.000 0.491 300 G N 2.010 110.822 108.800 0.019 0.000 2.184 300 G HA2 -0.268 3.688 3.960 -0.007 0.000 0.264 300 G HA3 -0.268 3.688 3.960 -0.007 0.000 0.264 300 G C -0.050 174.867 174.900 0.029 0.000 0.975 300 G CA 0.534 45.646 45.100 0.020 0.000 0.642 300 G HN 1.027 nan 8.290 nan 0.000 0.536 301 K N -1.146 119.270 120.400 0.027 0.000 2.546 301 K HA 0.692 5.008 4.320 -0.007 0.000 0.264 301 K C -0.997 175.618 176.600 0.024 0.000 0.937 301 K CA -1.055 55.255 56.287 0.040 0.000 0.833 301 K CB 2.249 34.778 32.500 0.048 0.000 1.378 301 K HN 0.253 nan 8.250 nan 0.000 0.432 302 V N 1.736 121.672 119.914 0.036 0.000 2.383 302 V HA 0.331 4.447 4.120 -0.007 0.000 0.275 302 V C 0.850 176.947 176.094 0.005 0.000 1.036 302 V CA -0.328 61.983 62.300 0.018 0.000 0.889 302 V CB 1.036 32.879 31.823 0.032 0.000 0.985 302 V HN 0.898 nan 8.190 nan 0.000 0.459 303 G N 3.338 112.123 108.800 -0.024 0.000 2.353 303 G HA2 0.334 4.290 3.960 -0.007 0.000 0.239 303 G HA3 0.334 4.290 3.960 -0.007 0.000 0.239 303 G C 0.679 175.560 174.900 -0.032 0.000 1.295 303 G CA 0.457 45.532 45.100 -0.041 0.000 0.884 303 G HN 1.123 nan 8.290 nan 0.000 0.537 304 S N -0.312 115.372 115.700 -0.026 0.000 2.800 304 S HA 0.080 4.546 4.470 -0.007 0.000 0.266 304 S C 0.764 175.344 174.600 -0.034 0.000 1.029 304 S CA 0.122 58.306 58.200 -0.025 0.000 1.302 304 S CB 0.548 63.748 63.200 0.000 0.000 1.212 304 S HN 0.407 nan 8.310 nan 0.000 0.683 305 D N 2.681 123.070 120.400 -0.019 0.000 2.144 305 D HA 0.035 4.671 4.640 -0.007 0.000 0.199 305 D C 1.705 177.956 176.300 -0.081 0.000 0.984 305 D CA 1.131 55.140 54.000 0.014 0.000 0.834 305 D CB -0.206 40.648 40.800 0.090 0.000 0.955 305 D HN 0.455 nan 8.370 nan 0.000 0.465 306 I N 1.276 121.732 120.570 -0.190 0.000 2.202 306 I HA -0.277 3.889 4.170 -0.007 0.000 0.242 306 I C 2.676 178.466 176.117 -0.545 0.000 1.091 306 I CA 1.074 62.036 61.300 -0.563 0.000 1.368 306 I CB -0.322 37.456 38.000 -0.370 0.000 1.058 306 I HN 0.061 nan 8.210 nan 0.000 0.410 307 Q N 0.300 119.938 119.800 -0.270 0.000 2.224 307 Q HA -0.152 4.184 4.340 -0.007 0.000 0.203 307 Q C 1.107 177.030 176.000 -0.128 0.000 0.970 307 Q CA 1.284 56.977 55.803 -0.183 0.000 0.865 307 Q CB -0.411 28.261 28.738 -0.111 0.000 0.922 307 Q HN 0.420 nan 8.270 nan 0.000 0.445 308 N N 1.301 119.943 118.700 -0.098 0.000 2.398 308 N HA -0.028 4.708 4.740 -0.007 0.000 0.188 308 N C -0.441 175.082 175.510 0.021 0.000 1.122 308 N CA 0.406 53.437 53.050 -0.031 0.000 0.866 308 N CB -0.084 38.400 38.487 -0.005 0.000 0.970 308 N HN 0.323 nan 8.380 nan 0.000 0.462 309 N N 0.686 119.388 118.700 0.004 0.000 2.758 309 N HA -0.169 4.567 4.740 -0.007 0.000 0.248 309 N C -1.192 174.588 175.510 0.450 0.000 1.076 309 N CA 0.512 53.716 53.050 0.257 0.000 0.696 309 N CB -0.714 37.913 38.487 0.234 0.000 0.979 309 N HN 0.059 nan 8.380 nan 0.000 0.550 310 K N 0.421 121.047 120.400 0.376 0.000 2.218 310 K HA 0.258 4.574 4.320 -0.007 0.000 0.276 310 K C 0.271 177.118 176.600 0.413 0.000 1.022 310 K CA -0.766 55.699 56.287 0.297 0.000 0.946 310 K CB 0.860 33.475 32.500 0.192 0.000 1.000 310 K HN 0.256 nan 8.250 nan 0.000 0.468 311 L N 3.258 124.553 121.223 0.120 0.000 2.385 311 L HA 0.094 4.430 4.340 -0.007 0.000 0.285 311 L C -0.065 176.964 176.870 0.266 0.000 1.125 311 L CA 0.374 55.268 54.840 0.090 0.000 0.890 311 L CB -0.385 41.528 42.059 -0.242 0.000 1.251 311 L HN 0.703 nan 8.230 nan 0.000 0.445 312 T N -0.292 114.395 114.554 0.221 0.000 2.950 312 T HA 0.188 4.534 4.350 -0.007 0.000 0.288 312 T C 0.607 175.257 174.700 -0.083 0.000 1.035 312 T CA -0.584 61.657 62.100 0.235 0.000 1.028 312 T CB 0.771 69.786 68.868 0.246 0.000 1.109 312 T HN 0.672 nan 8.240 nan 0.000 0.514 313 W N 1.567 122.629 121.300 -0.396 0.000 2.355 313 W HA 0.069 4.724 4.660 -0.008 0.000 0.309 313 W C -1.444 174.946 176.519 -0.216 0.000 1.206 313 W CA 1.332 58.397 57.345 -0.468 0.000 1.284 313 W CB -1.216 28.016 29.460 -0.379 0.000 1.145 313 W HN 0.627 nan 8.180 nan 0.000 0.502 314 P HA -0.217 nan 4.420 nan 0.000 0.216 314 P C 1.749 178.820 177.300 -0.381 0.000 1.150 314 P CA 1.611 64.536 63.100 -0.293 0.000 0.837 314 P CB -0.358 31.032 31.700 -0.516 0.000 0.786 315 L N -0.391 120.750 121.223 -0.136 0.000 1.970 315 L HA -0.178 4.158 4.340 -0.007 0.000 0.212 315 L C 2.214 178.958 176.870 -0.209 0.000 1.071 315 L CA 1.957 56.773 54.840 -0.041 0.000 0.751 315 L CB -1.325 40.657 42.059 -0.128 0.000 0.889 315 L HN -0.140 nan 8.230 nan 0.000 0.432 316 I N -0.643 119.669 120.570 -0.432 0.000 2.226 316 I HA -0.264 3.902 4.170 -0.007 0.000 0.245 316 I C 2.462 178.205 176.117 -0.624 0.000 1.100 316 I CA 1.334 62.245 61.300 -0.648 0.000 1.374 316 I CB -0.465 36.833 38.000 -1.170 0.000 1.057 316 I HN 0.252 nan 8.210 nan 0.000 0.413 317 K N 1.073 121.048 120.400 -0.709 0.000 2.057 317 K HA -0.140 4.176 4.320 -0.007 0.000 0.207 317 K C 2.002 178.376 176.600 -0.377 0.000 1.049 317 K CA 2.025 57.951 56.287 -0.602 0.000 0.931 317 K CB -0.767 31.110 32.500 -1.039 0.000 0.714 317 K HN 0.211 nan 8.250 nan 0.000 0.440 318 T N 0.333 114.732 114.554 -0.258 0.000 2.708 318 T HA -0.095 4.251 4.350 -0.007 0.000 0.266 318 T C 1.563 176.104 174.700 -0.265 0.000 1.037 318 T CA 1.416 63.414 62.100 -0.171 0.000 1.146 318 T CB -0.468 68.480 68.868 0.133 0.000 0.865 318 T HN 0.167 nan 8.240 nan 0.000 0.435 319 F N 1.704 121.464 119.950 -0.316 0.000 2.171 319 F HA -0.065 4.457 4.527 -0.007 0.000 0.300 319 F C 2.446 178.074 175.800 -0.287 0.000 1.090 319 F CA 1.164 58.986 58.000 -0.296 0.000 1.293 319 F CB -0.225 38.606 39.000 -0.282 0.000 1.013 319 F HN 0.202 nan 8.300 nan 0.000 0.486 320 E N -0.337 119.774 120.200 -0.147 0.000 2.118 320 E HA -0.216 4.130 4.350 -0.007 0.000 0.195 320 E C 2.011 178.489 176.600 -0.204 0.000 0.992 320 E CA 1.304 57.607 56.400 -0.161 0.000 0.804 320 E CB -0.153 29.454 29.700 -0.156 0.000 0.741 320 E HN 0.420 nan 8.360 nan 0.000 0.458 321 L N -0.045 121.000 121.223 -0.296 0.000 2.701 321 L HA 0.154 4.490 4.340 -0.007 0.000 0.238 321 L C 1.234 177.892 176.870 -0.353 0.000 1.106 321 L CA -0.384 54.303 54.840 -0.256 0.000 0.898 321 L CB 0.541 42.474 42.059 -0.210 0.000 1.188 321 L HN 0.226 nan 8.230 nan 0.000 0.508 322 C N -0.556 118.366 119.300 -0.630 0.000 2.347 322 C HA 0.656 5.112 4.460 -0.007 0.000 0.366 322 C C 1.300 176.104 174.990 -0.311 0.000 1.241 322 C CA -1.019 57.566 59.018 -0.722 0.000 2.360 322 C CB 0.988 28.106 27.740 -1.036 0.000 2.290 322 C HN 0.368 nan 8.230 nan 0.000 0.587 323 S N 0.762 116.388 115.700 -0.123 0.000 2.632 323 S HA 0.252 4.718 4.470 -0.007 0.000 0.267 323 S C 0.829 175.336 174.600 -0.155 0.000 1.276 323 S CA -0.178 57.974 58.200 -0.081 0.000 0.998 323 S CB 0.676 63.885 63.200 0.014 0.000 0.953 323 S HN 0.864 nan 8.310 nan 0.000 0.547 324 E N 1.155 121.279 120.200 -0.127 0.000 2.085 324 E HA -0.080 4.266 4.350 -0.007 0.000 0.194 324 E C -0.681 175.854 176.600 -0.109 0.000 0.994 324 E CA 1.465 57.783 56.400 -0.138 0.000 0.801 324 E CB -1.768 27.876 29.700 -0.094 0.000 0.743 324 E HN 0.571 nan 8.360 nan 0.000 0.453 325 P HA -0.094 nan 4.420 nan 0.000 0.220 325 P C 0.747 178.021 177.300 -0.045 0.000 1.148 325 P CA 1.146 64.219 63.100 -0.044 0.000 0.803 325 P CB 0.042 31.729 31.700 -0.021 0.000 0.782 326 D N -0.739 119.629 120.400 -0.053 0.000 2.234 326 D HA -0.049 4.587 4.640 -0.007 0.000 0.205 326 D C 1.754 177.979 176.300 -0.125 0.000 0.962 326 D CA 0.775 54.751 54.000 -0.041 0.000 0.855 326 D CB -0.217 40.614 40.800 0.051 0.000 0.951 326 D HN 0.202 nan 8.370 nan 0.000 0.500 327 K N 0.500 120.750 120.400 -0.250 0.000 2.032 327 K HA -0.122 4.194 4.320 -0.007 0.000 0.209 327 K C 1.964 178.507 176.600 -0.095 0.000 1.048 327 K CA 0.750 56.833 56.287 -0.340 0.000 0.927 327 K CB 0.048 32.233 32.500 -0.526 0.000 0.712 327 K HN 0.104 nan 8.250 nan 0.000 0.441 328 I N 1.777 122.303 120.570 -0.073 0.000 2.226 328 I HA -0.229 3.937 4.170 -0.007 0.000 0.245 328 I C 2.022 178.131 176.117 -0.013 0.000 1.100 328 I CA 1.456 62.739 61.300 -0.028 0.000 1.374 328 I CB -0.905 37.077 38.000 -0.029 0.000 1.057 328 I HN 0.148 nan 8.210 nan 0.000 0.413 329 K N 0.561 120.951 120.400 -0.017 0.000 2.063 329 K HA -0.144 4.172 4.320 -0.007 0.000 0.208 329 K C 2.154 178.761 176.600 0.010 0.000 1.048 329 K CA 1.323 57.607 56.287 -0.004 0.000 0.928 329 K CB -0.148 32.351 32.500 -0.001 0.000 0.713 329 K HN 0.278 nan 8.250 nan 0.000 0.442 330 I N 0.404 120.986 120.570 0.020 0.000 2.179 330 I HA -0.277 3.889 4.170 -0.007 0.000 0.242 330 I C 2.214 178.365 176.117 0.057 0.000 1.088 330 I CA 0.991 62.325 61.300 0.057 0.000 1.357 330 I CB -0.311 37.748 38.000 0.098 0.000 1.051 330 I HN -0.061 nan 8.210 nan 0.000 0.409 331 V N 0.986 120.923 119.914 0.038 0.000 2.287 331 V HA -0.353 3.763 4.120 -0.007 0.000 0.248 331 V C 2.539 178.633 176.094 -0.000 0.000 1.053 331 V CA 2.029 64.327 62.300 -0.002 0.000 1.027 331 V CB -0.717 31.106 31.823 0.000 0.000 0.646 331 V HN 0.402 nan 8.190 nan 0.000 0.447 332 K N -0.271 120.132 120.400 0.005 0.000 2.103 332 K HA -0.183 4.133 4.320 -0.007 0.000 0.207 332 K C 1.748 178.350 176.600 0.004 0.000 1.048 332 K CA 1.747 58.034 56.287 -0.000 0.000 0.930 332 K CB -0.072 32.426 32.500 -0.004 0.000 0.716 332 K HN 0.502 nan 8.250 nan 0.000 0.444 333 N N -1.273 117.439 118.700 0.020 0.000 2.273 333 N HA -0.043 4.693 4.740 -0.007 0.000 0.192 333 N C -0.347 175.178 175.510 0.025 0.000 1.132 333 N CA 0.002 53.058 53.050 0.010 0.000 0.887 333 N CB 0.464 38.947 38.487 -0.005 0.000 1.048 333 N HN 0.072 nan 8.380 nan 0.000 0.490 334 Y N 1.207 121.466 120.300 -0.068 0.000 2.304 334 Y HA 0.357 4.906 4.550 -0.002 0.000 0.327 334 Y C 1.408 177.273 175.900 -0.058 0.000 1.209 334 Y CA 0.747 58.808 58.100 -0.066 0.000 1.299 334 Y CB 0.890 39.303 38.460 -0.079 0.000 1.249 334 Y HN 0.305 nan 8.280 nan 0.000 0.519 335 G N 3.186 111.808 108.800 -0.297 0.000 2.176 335 G HA2 -0.301 3.655 3.960 -0.007 0.000 0.252 335 G HA3 -0.301 3.655 3.960 -0.007 0.000 0.252 335 G C -0.392 174.451 174.900 -0.095 0.000 1.024 335 G CA 0.152 45.170 45.100 -0.136 0.000 0.755 335 G HN 0.514 nan 8.290 nan 0.000 0.507 336 K N -0.099 120.228 120.400 -0.121 0.000 2.358 336 K HA 0.385 4.701 4.320 -0.007 0.000 0.260 336 K C -0.016 176.532 176.600 -0.087 0.000 0.956 336 K CA -0.936 55.303 56.287 -0.079 0.000 0.834 336 K CB 0.988 33.454 32.500 -0.057 0.000 1.102 336 K HN 0.106 nan 8.250 nan 0.000 0.431 337 N N 3.559 122.220 118.700 -0.065 0.000 2.744 337 N HA -0.036 4.700 4.740 -0.007 0.000 0.290 337 N C -1.263 174.219 175.510 -0.047 0.000 1.206 337 N CA 0.251 53.267 53.050 -0.056 0.000 1.119 337 N CB -0.177 38.286 38.487 -0.039 0.000 1.449 337 N HN 0.578 nan 8.380 nan 0.000 0.514 338 N N 2.995 121.662 118.700 -0.055 0.000 2.493 338 N HA 0.032 4.768 4.740 -0.007 0.000 0.279 338 N C 0.169 175.649 175.510 -0.051 0.000 1.082 338 N CA -0.459 52.564 53.050 -0.046 0.000 0.963 338 N CB 0.987 39.449 38.487 -0.042 0.000 1.627 338 N HN 0.170 nan 8.380 nan 0.000 0.499 339 L N 4.642 125.839 121.223 -0.043 0.000 1.970 339 L HA -0.010 4.326 4.340 -0.007 0.000 0.212 339 L C 2.456 179.298 176.870 -0.047 0.000 1.071 339 L CA 2.657 57.470 54.840 -0.044 0.000 0.751 339 L CB -0.481 41.558 42.059 -0.034 0.000 0.889 339 L HN 0.806 nan 8.230 nan 0.000 0.432 340 A N -1.706 121.091 122.820 -0.039 0.000 2.024 340 A HA -0.244 4.072 4.320 -0.007 0.000 0.220 340 A C 2.315 179.873 177.584 -0.044 0.000 1.164 340 A CA 1.900 53.915 52.037 -0.036 0.000 0.643 340 A CB -1.382 17.601 19.000 -0.029 0.000 0.806 340 A HN 0.670 nan 8.150 nan 0.000 0.451 341 C N -1.402 117.867 119.300 -0.050 0.000 2.500 341 C HA 0.004 4.460 4.460 -0.007 0.000 0.279 341 C C 2.857 177.798 174.990 -0.082 0.000 1.288 341 C CA 0.843 59.826 59.018 -0.058 0.000 1.710 341 C CB -1.030 26.675 27.740 -0.058 0.000 2.052 341 C HN 0.682 nan 8.230 nan 0.000 0.488 342 V N 0.683 120.537 119.914 -0.099 0.000 2.490 342 V HA -0.183 3.933 4.120 -0.007 0.000 0.250 342 V C 2.270 178.293 176.094 -0.119 0.000 1.061 342 V CA 2.321 64.544 62.300 -0.128 0.000 1.064 342 V CB -0.828 30.919 31.823 -0.127 0.000 0.670 342 V HN 0.554 nan 8.190 nan 0.000 0.461 343 K N 0.128 120.475 120.400 -0.087 0.000 2.032 343 K HA -0.102 4.214 4.320 -0.007 0.000 0.209 343 K C 2.051 178.607 176.600 -0.075 0.000 1.048 343 K CA 2.099 58.342 56.287 -0.072 0.000 0.927 343 K CB -0.400 32.070 32.500 -0.051 0.000 0.712 343 K HN 0.490 nan 8.250 nan 0.000 0.441 344 V N 1.641 121.514 119.914 -0.069 0.000 2.255 344 V HA -0.308 3.808 4.120 -0.007 0.000 0.247 344 V C 2.276 178.310 176.094 -0.100 0.000 1.051 344 V CA 1.611 63.874 62.300 -0.061 0.000 1.018 344 V CB -0.492 31.305 31.823 -0.043 0.000 0.641 344 V HN 0.312 nan 8.190 nan 0.000 0.445 345 I N 0.658 121.139 120.570 -0.148 0.000 2.127 345 I HA -0.270 3.896 4.170 -0.007 0.000 0.241 345 I C 2.420 178.220 176.117 -0.529 0.000 1.075 345 I CA 2.379 63.498 61.300 -0.302 0.000 1.334 345 I CB -1.440 36.413 38.000 -0.246 0.000 1.040 345 I HN 0.449 nan 8.210 nan 0.000 0.405 346 D N 0.356 120.550 120.400 -0.343 0.000 2.123 346 D HA -0.195 4.441 4.640 -0.007 0.000 0.196 346 D C 2.402 178.665 176.300 -0.060 0.000 0.992 346 D CA 1.724 55.601 54.000 -0.205 0.000 0.833 346 D CB 0.108 40.832 40.800 -0.126 0.000 0.954 346 D HN 0.119 nan 8.370 nan 0.000 0.455 347 S N -1.167 114.500 115.700 -0.054 0.000 2.359 347 S HA -0.102 4.364 4.470 -0.007 0.000 0.224 347 S C 2.043 176.673 174.600 0.049 0.000 1.035 347 S CA 0.882 59.085 58.200 0.005 0.000 1.018 347 S CB -0.375 62.817 63.200 -0.012 0.000 0.876 347 S HN 0.311 nan 8.310 nan 0.000 0.448 348 L N 0.098 121.339 121.223 0.031 0.000 2.042 348 L HA -0.152 4.184 4.340 -0.007 0.000 0.210 348 L C 2.382 179.482 176.870 0.383 0.000 1.076 348 L CA 1.424 56.368 54.840 0.174 0.000 0.749 348 L CB -0.815 41.313 42.059 0.114 0.000 0.893 348 L HN 0.372 nan 8.230 nan 0.000 0.432 349 Y N 0.123 120.561 120.300 0.230 0.000 2.207 349 Y HA -0.264 4.282 4.550 -0.007 0.000 0.287 349 Y C 2.629 178.730 175.900 0.335 0.000 1.156 349 Y CA 1.068 59.348 58.100 0.299 0.000 1.182 349 Y CB -0.857 37.754 38.460 0.252 0.000 0.979 349 Y HN 0.341 nan 8.280 nan 0.000 0.521 350 E N 0.140 120.572 120.200 0.387 0.000 2.047 350 E HA -0.262 4.084 4.350 -0.007 0.000 0.191 350 E C 2.281 178.979 176.600 0.163 0.000 0.987 350 E CA 1.155 57.713 56.400 0.264 0.000 0.799 350 E CB -0.100 29.701 29.700 0.170 0.000 0.752 350 E HN 0.571 nan 8.360 nan 0.000 0.449 351 Q N -0.553 119.301 119.800 0.090 0.000 2.084 351 Q HA -0.181 4.155 4.340 -0.007 0.000 0.202 351 Q C 0.996 176.886 176.000 -0.184 0.000 0.978 351 Q CA 1.452 57.188 55.803 -0.111 0.000 0.844 351 Q CB -0.043 28.541 28.738 -0.256 0.000 0.898 351 Q HN 0.398 nan 8.270 nan 0.000 0.426 352 Y N 0.698 121.106 120.300 0.180 0.000 2.495 352 Y HA 0.142 4.688 4.550 -0.007 0.000 0.293 352 Y C -0.092 175.990 175.900 0.303 0.000 1.186 352 Y CA -0.011 58.214 58.100 0.208 0.000 1.266 352 Y CB 0.593 39.155 38.460 0.170 0.000 1.101 352 Y HN -0.017 nan 8.280 nan 0.000 0.517 353 K N -0.651 119.929 120.400 0.300 0.000 3.096 353 K HA -0.225 4.091 4.320 -0.007 0.000 0.266 353 K C 0.737 177.473 176.600 0.226 0.000 1.043 353 K CA 0.324 56.712 56.287 0.169 0.000 0.758 353 K CB -1.982 30.525 32.500 0.013 0.000 1.260 353 K HN 0.401 nan 8.250 nan 0.000 0.481 354 I N 0.070 120.869 120.570 0.383 0.000 2.264 354 I HA -0.238 3.928 4.170 -0.007 0.000 0.248 354 I C 2.519 178.796 176.117 0.267 0.000 1.111 354 I CA 1.283 62.844 61.300 0.435 0.000 1.382 354 I CB -0.529 37.717 38.000 0.410 0.000 1.060 354 I HN 0.346 nan 8.210 nan 0.000 0.418 355 R N 0.701 121.125 120.500 -0.127 0.000 2.096 355 R HA -0.199 4.137 4.340 -0.007 0.000 0.240 355 R C 2.275 178.584 176.300 0.015 0.000 1.139 355 R CA 1.335 57.300 56.100 -0.225 0.000 0.952 355 R CB -0.168 29.884 30.300 -0.414 0.000 0.854 355 R HN 0.277 nan 8.270 nan 0.000 0.436 356 K N -0.121 120.251 120.400 -0.046 0.000 2.057 356 K HA -0.142 4.175 4.320 -0.007 0.000 0.207 356 K C 1.977 178.544 176.600 -0.056 0.000 1.049 356 K CA 1.710 57.934 56.287 -0.105 0.000 0.931 356 K CB -0.599 31.761 32.500 -0.234 0.000 0.714 356 K HN 0.491 nan 8.250 nan 0.000 0.440 357 H N -1.392 117.801 119.070 0.205 0.000 2.428 357 H HA -0.090 4.462 4.556 -0.007 0.000 0.296 357 H C 1.874 177.436 175.328 0.391 0.000 1.062 357 H CA 1.346 57.578 56.048 0.308 0.000 1.350 357 H CB -0.142 29.833 29.762 0.354 0.000 1.403 357 H HN 0.217 nan 8.280 nan 0.000 0.533 358 Y N 1.661 122.160 120.300 0.331 0.000 2.163 358 Y HA -0.222 4.325 4.550 -0.005 0.000 0.288 358 Y C 2.546 178.383 175.900 -0.106 0.000 1.136 358 Y CA 1.963 60.035 58.100 -0.046 0.000 1.147 358 Y CB -0.582 37.745 38.460 -0.221 0.000 0.987 358 Y HN 0.320 nan 8.280 nan 0.000 0.509 359 E N -0.005 120.053 120.200 -0.237 0.000 2.058 359 E HA -0.247 4.099 4.350 -0.007 0.000 0.194 359 E C 2.390 178.829 176.600 -0.267 0.000 0.997 359 E CA 1.721 57.944 56.400 -0.294 0.000 0.801 359 E CB -1.474 28.165 29.700 -0.102 0.000 0.746 359 E HN 0.538 nan 8.360 nan 0.000 0.450 360 S N -1.155 114.472 115.700 -0.121 0.000 2.382 360 S HA -0.179 4.287 4.470 -0.007 0.000 0.228 360 S C 2.017 176.558 174.600 -0.099 0.000 1.027 360 S CA 1.711 59.872 58.200 -0.065 0.000 0.991 360 S CB -0.586 62.639 63.200 0.041 0.000 0.823 360 S HN 0.708 nan 8.310 nan 0.000 0.469 361 Y N 2.229 122.401 120.300 -0.213 0.000 2.114 361 Y HA -0.086 4.461 4.550 -0.006 0.000 0.284 361 Y C 2.534 178.242 175.900 -0.320 0.000 1.143 361 Y CA 2.353 60.300 58.100 -0.254 0.000 1.135 361 Y CB -0.686 37.532 38.460 -0.403 0.000 0.980 361 Y HN 0.266 nan 8.280 nan 0.000 0.499 362 E N 0.728 120.556 120.200 -0.621 0.000 2.130 362 E HA -0.221 4.125 4.350 -0.007 0.000 0.196 362 E C 2.181 178.636 176.600 -0.241 0.000 0.998 362 E CA 1.816 57.946 56.400 -0.451 0.000 0.806 362 E CB -0.050 29.297 29.700 -0.588 0.000 0.738 362 E HN 0.397 nan 8.360 nan 0.000 0.459 363 K N -0.417 119.826 120.400 -0.262 0.000 2.057 363 K HA 0.040 4.356 4.320 -0.007 0.000 0.206 363 K C 2.185 178.662 176.600 -0.205 0.000 1.050 363 K CA 1.002 57.181 56.287 -0.180 0.000 0.935 363 K CB -0.630 31.786 32.500 -0.140 0.000 0.715 363 K HN 0.423 nan 8.250 nan 0.000 0.439 364 A N 0.081 122.745 122.820 -0.260 0.000 1.975 364 A HA -0.066 4.250 4.320 -0.007 0.000 0.215 364 A C 2.185 179.589 177.584 -0.299 0.000 1.170 364 A CA 1.513 53.409 52.037 -0.236 0.000 0.656 364 A CB -0.349 18.535 19.000 -0.192 0.000 0.821 364 A HN 0.402 nan 8.150 nan 0.000 0.449 365 Q N 0.268 119.794 119.800 -0.456 0.000 2.163 365 Q HA -0.021 4.315 4.340 -0.007 0.000 0.198 365 Q C 1.943 177.697 176.000 -0.411 0.000 0.954 365 Q CA 1.856 57.390 55.803 -0.448 0.000 0.851 365 Q CB -0.255 28.069 28.738 -0.689 0.000 0.928 365 Q HN 0.607 nan 8.270 nan 0.000 0.459 366 K N -0.504 119.660 120.400 -0.394 0.000 2.103 366 K HA -0.152 4.164 4.320 -0.007 0.000 0.207 366 K C 1.799 178.197 176.600 -0.338 0.000 1.048 366 K CA 1.381 57.387 56.287 -0.469 0.000 0.930 366 K CB -0.298 32.028 32.500 -0.289 0.000 0.716 366 K HN 0.261 nan 8.250 nan 0.000 0.444 367 A N 1.269 123.937 122.820 -0.253 0.000 1.930 367 A HA -0.164 4.152 4.320 -0.007 0.000 0.217 367 A C 2.045 179.516 177.584 -0.189 0.000 1.175 367 A CA 1.584 53.505 52.037 -0.194 0.000 0.627 367 A CB -0.430 18.478 19.000 -0.154 0.000 0.815 367 A HN 0.353 nan 8.150 nan 0.000 0.443 368 K N -0.253 120.023 120.400 -0.206 0.000 2.057 368 K HA -0.068 4.248 4.320 -0.007 0.000 0.206 368 K C 1.795 178.278 176.600 -0.196 0.000 1.050 368 K CA 1.420 57.601 56.287 -0.176 0.000 0.935 368 K CB -0.299 32.103 32.500 -0.163 0.000 0.715 368 K HN 0.512 nan 8.250 nan 0.000 0.439 369 I N 1.277 121.687 120.570 -0.266 0.000 2.226 369 I HA -0.310 3.856 4.170 -0.007 0.000 0.245 369 I C 2.184 178.156 176.117 -0.242 0.000 1.100 369 I CA 1.130 62.256 61.300 -0.290 0.000 1.374 369 I CB -0.226 37.515 38.000 -0.432 0.000 1.057 369 I HN 0.138 nan 8.210 nan 0.000 0.413 370 L N -0.342 120.741 121.223 -0.234 0.000 2.083 370 L HA -0.188 4.148 4.340 -0.007 0.000 0.209 370 L C 2.651 179.435 176.870 -0.143 0.000 1.083 370 L CA 1.072 55.802 54.840 -0.184 0.000 0.752 370 L CB -0.510 41.446 42.059 -0.172 0.000 0.899 370 L HN 0.167 nan 8.230 nan 0.000 0.433 371 S N -0.511 115.108 115.700 -0.136 0.000 2.402 371 S HA -0.105 4.361 4.470 -0.007 0.000 0.229 371 S C 2.116 176.652 174.600 -0.108 0.000 1.021 371 S CA 1.113 59.249 58.200 -0.107 0.000 0.974 371 S CB -0.081 63.061 63.200 -0.097 0.000 0.800 371 S HN 0.493 nan 8.310 nan 0.000 0.484 372 A N 1.100 123.844 122.820 -0.127 0.000 1.929 372 A HA 0.082 4.398 4.320 -0.007 0.000 0.216 372 A C 1.979 179.482 177.584 -0.136 0.000 1.176 372 A CA 0.823 52.783 52.037 -0.128 0.000 0.628 372 A CB -0.519 18.400 19.000 -0.135 0.000 0.816 372 A HN 0.499 nan 8.150 nan 0.000 0.444 373 I N 0.236 120.722 120.570 -0.140 0.000 2.315 373 I HA -0.218 3.948 4.170 -0.007 0.000 0.248 373 I C 1.591 177.641 176.117 -0.111 0.000 1.117 373 I CA 0.927 62.149 61.300 -0.129 0.000 1.404 373 I CB -0.364 37.554 38.000 -0.138 0.000 1.071 373 I HN 0.303 nan 8.210 nan 0.000 0.419 374 N N 0.843 119.482 118.700 -0.101 0.000 2.512 374 N HA -0.117 4.619 4.740 -0.007 0.000 0.183 374 N C 1.136 176.587 175.510 -0.098 0.000 1.073 374 N CA 0.863 53.873 53.050 -0.066 0.000 0.911 374 N CB -0.016 38.444 38.487 -0.045 0.000 0.964 374 N HN 0.513 nan 8.380 nan 0.000 0.447 375 E N -0.223 119.859 120.200 -0.197 0.000 2.474 375 E HA 0.052 4.398 4.350 -0.007 0.000 0.195 375 E C 1.054 177.268 176.600 -0.644 0.000 1.039 375 E CA -0.243 55.919 56.400 -0.397 0.000 0.881 375 E CB 0.311 29.879 29.700 -0.221 0.000 0.970 375 E HN 0.052 nan 8.360 nan 0.000 0.486 376 L N 0.672 121.669 121.223 -0.375 0.000 2.156 376 L HA -0.102 4.234 4.340 -0.007 0.000 0.208 376 L C 0.275 177.039 176.870 -0.175 0.000 1.095 376 L CA 1.460 56.158 54.840 -0.237 0.000 0.770 376 L CB -0.629 41.368 42.059 -0.103 0.000 0.914 376 L HN 0.281 nan 8.230 nan 0.000 0.439 377 H N -0.868 118.213 119.070 0.017 0.000 2.741 377 H HA -0.233 4.319 4.556 -0.006 0.000 0.305 377 H C 0.100 175.452 175.328 0.040 0.000 1.169 377 H CA 0.999 57.055 56.048 0.013 0.000 1.144 377 H CB -2.554 27.208 29.762 -0.000 0.000 1.397 377 H HN 0.458 nan 8.280 nan 0.000 0.409 378 H N 0.338 119.433 119.070 0.042 0.000 3.092 378 H HA 0.176 4.728 4.556 -0.006 0.000 0.308 378 H C 0.973 176.308 175.328 0.012 0.000 1.047 378 H CA -0.262 55.794 56.048 0.013 0.000 1.466 378 H CB 0.667 30.416 29.762 -0.022 0.000 1.597 378 H HN 0.396 nan 8.280 nan 0.000 0.512 379 E N 2.690 122.877 120.200 -0.022 0.000 2.065 379 E HA -0.178 4.168 4.350 -0.007 0.000 0.201 379 E C 1.876 178.549 176.600 0.120 0.000 1.016 379 E CA 1.622 58.041 56.400 0.032 0.000 0.818 379 E CB 0.113 29.797 29.700 -0.027 0.000 0.749 379 E HN 0.862 nan 8.360 nan 0.000 0.453 380 G N 0.992 109.903 108.800 0.186 0.000 2.446 380 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.217 380 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.217 380 G C 1.585 176.621 174.900 0.226 0.000 1.168 380 G CA 0.852 46.112 45.100 0.266 0.000 0.771 380 G HN 0.155 nan 8.290 nan 0.000 0.551 381 I N 0.440 121.165 120.570 0.258 0.000 2.226 381 I HA -0.134 4.032 4.170 -0.007 0.000 0.245 381 I C 2.776 178.904 176.117 0.019 0.000 1.100 381 I CA 1.154 62.469 61.300 0.024 0.000 1.374 381 I CB -0.294 37.596 38.000 -0.183 0.000 1.057 381 I HN 0.266 nan 8.210 nan 0.000 0.413 382 E N 0.158 120.393 120.200 0.058 0.000 2.070 382 E HA -0.309 4.037 4.350 -0.007 0.000 0.197 382 E C 2.098 178.691 176.600 -0.012 0.000 1.004 382 E CA 1.895 58.301 56.400 0.009 0.000 0.805 382 E CB -0.326 29.392 29.700 0.030 0.000 0.744 382 E HN 0.532 nan 8.360 nan 0.000 0.451 383 Y N 1.097 121.323 120.300 -0.123 0.000 2.128 383 Y HA -0.278 4.268 4.550 -0.006 0.000 0.284 383 Y C 2.129 177.900 175.900 -0.214 0.000 1.154 383 Y CA 1.439 59.420 58.100 -0.198 0.000 1.149 383 Y CB -0.179 38.092 38.460 -0.315 0.000 0.976 383 Y HN -0.167 nan 8.280 nan 0.000 0.505 384 V N 0.705 120.579 119.914 -0.066 0.000 2.358 384 V HA -0.313 3.803 4.120 -0.007 0.000 0.246 384 V C 2.415 178.454 176.094 -0.092 0.000 1.047 384 V CA 1.972 64.224 62.300 -0.081 0.000 1.035 384 V CB -0.725 31.091 31.823 -0.013 0.000 0.658 384 V HN 0.470 nan 8.190 nan 0.000 0.452 385 L N -0.593 120.566 121.223 -0.106 0.000 2.056 385 L HA -0.151 4.185 4.340 -0.007 0.000 0.207 385 L C 2.620 179.384 176.870 -0.177 0.000 1.078 385 L CA 1.593 56.357 54.840 -0.127 0.000 0.749 385 L CB -0.652 41.335 42.059 -0.120 0.000 0.901 385 L HN 0.272 nan 8.230 nan 0.000 0.433 386 K N -0.485 119.800 120.400 -0.191 0.000 2.044 386 K HA -0.275 4.041 4.320 -0.007 0.000 0.210 386 K C 2.156 178.620 176.600 -0.226 0.000 1.049 386 K CA 2.104 58.263 56.287 -0.214 0.000 0.927 386 K CB -0.441 31.935 32.500 -0.207 0.000 0.713 386 K HN 0.182 nan 8.250 nan 0.000 0.443 387 Y N 1.637 121.699 120.300 -0.397 0.000 2.200 387 Y HA -0.197 4.349 4.550 -0.006 0.000 0.290 387 Y C 2.076 177.821 175.900 -0.258 0.000 1.137 387 Y CA 1.057 58.935 58.100 -0.371 0.000 1.163 387 Y CB -0.352 37.797 38.460 -0.518 0.000 0.988 387 Y HN -0.004 nan 8.280 nan 0.000 0.518 388 L N 0.089 121.127 121.223 -0.309 0.000 2.013 388 L HA -0.221 4.115 4.340 -0.007 0.000 0.212 388 L C 2.220 178.883 176.870 -0.346 0.000 1.073 388 L CA 1.970 56.614 54.840 -0.326 0.000 0.753 388 L CB -1.174 40.789 42.059 -0.160 0.000 0.890 388 L HN 0.385 nan 8.230 nan 0.000 0.432 389 L N -0.341 120.697 121.223 -0.308 0.000 2.127 389 L HA -0.179 4.157 4.340 -0.007 0.000 0.211 389 L C 2.422 179.073 176.870 -0.365 0.000 1.089 389 L CA 1.694 56.334 54.840 -0.332 0.000 0.757 389 L CB -0.836 41.022 42.059 -0.335 0.000 0.899 389 L HN 0.379 nan 8.230 nan 0.000 0.434 390 E N -0.317 119.665 120.200 -0.364 0.000 2.107 390 E HA -0.083 4.263 4.350 -0.007 0.000 0.191 390 E C 1.910 178.299 176.600 -0.353 0.000 0.982 390 E CA 1.492 57.696 56.400 -0.327 0.000 0.809 390 E CB -0.151 29.386 29.700 -0.272 0.000 0.756 390 E HN 0.740 nan 8.360 nan 0.000 0.459 391 I N -1.846 118.452 120.570 -0.454 0.000 3.956 391 I HA 0.088 4.254 4.170 -0.007 0.000 0.333 391 I C 1.781 177.739 176.117 -0.266 0.000 1.302 391 I CA 0.011 61.092 61.300 -0.366 0.000 1.122 391 I CB -0.145 37.556 38.000 -0.497 0.000 1.013 391 I HN -0.140 nan 8.210 nan 0.000 0.405 392 L N 0.853 121.874 121.223 -0.337 0.000 2.042 392 L HA -0.050 4.286 4.340 -0.007 0.000 0.210 392 L C 2.103 179.022 176.870 0.083 0.000 1.076 392 L CA 2.127 56.834 54.840 -0.222 0.000 0.749 392 L CB -0.683 41.196 42.059 -0.301 0.000 0.893 392 L HN 0.326 nan 8.230 nan 0.000 0.432 393 F N -1.651 118.316 119.950 0.028 0.000 2.512 393 F HA -0.067 4.457 4.527 -0.006 0.000 0.296 393 F C 2.098 177.942 175.800 0.073 0.000 1.110 393 F CA 0.628 58.640 58.000 0.020 0.000 1.446 393 F CB -0.410 38.461 39.000 -0.215 0.000 1.092 393 F HN 0.249 nan 8.300 nan 0.000 0.554 394 T N -2.974 111.687 114.554 0.178 0.000 3.000 394 T HA 0.523 4.869 4.350 -0.007 0.000 0.248 394 T C 1.151 175.896 174.700 0.074 0.000 1.034 394 T CA 0.360 62.532 62.100 0.120 0.000 1.060 394 T CB 0.252 69.166 68.868 0.077 0.000 0.983 394 T HN 0.367 nan 8.240 nan 0.000 0.482 395 G N 1.879 110.693 108.800 0.024 0.000 2.760 395 G HA2 0.262 4.218 3.960 -0.007 0.000 0.246 395 G HA3 0.262 4.218 3.960 -0.007 0.000 0.246 395 G C -0.025 174.863 174.900 -0.019 0.000 1.359 395 G CA -0.093 45.003 45.100 -0.007 0.000 0.861 395 G HN 2.132 nan 8.290 nan 0.000 0.541 396 V N 0.000 119.915 119.914 0.002 0.000 2.409 396 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 396 V CA 0.000 62.331 62.300 0.052 0.000 1.235 396 V CB 0.000 31.867 31.823 0.074 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556