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 1ppj_1_P DATA FIRST_RESID 15 DATA SEQUENCE NNAFIDLPAP SNISSWWNFG SLLGICLILQ ILTGLFLAMH YTSDTTTAFS DATA SEQUENCE SVTHICRDVN YGWIIRYMHA NGASMFFICL YMHVGRGLYY GSYTFLETWN DATA SEQUENCE IGVILLLTVM ATAFMGYVLP WGQMSFWGAT VITNLLSAIP YIGTNLVEWI DATA SEQUENCE WGGFSVDKAT LTRFFAFHFI LPFIIMAIAM VHLLFLHETG SNNPTGISSD DATA SEQUENCE VDKIPFHPYY TIKDILGALL LILALMLLVL FAPDLLGDPD NYTPANPLNT DATA SEQUENCE PPHIKPEWYF LFAYAILRSI PNKLGGVLAL AFSILILALI PLLHTSKQRS DATA SEQUENCE MMFRPLSQCL FWALVADLLT LTWIGGQPVE HPYITIGQLA SVLYFLLILV DATA SEQUENCE LMPTAGTIEN KLLKW 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 15 N HA 0.000 nan 4.740 nan 0.000 0.220 15 N C 0.000 175.498 175.510 -0.020 0.000 1.280 15 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 15 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 16 N N 0.797 119.490 118.700 -0.013 0.000 3.254 16 N HA 0.388 5.128 4.740 0.000 0.000 0.308 16 N C -0.018 175.505 175.510 0.021 0.000 1.281 16 N CA 0.424 53.461 53.050 -0.021 0.000 1.212 16 N CB 0.271 38.756 38.487 -0.004 0.000 1.478 16 N HN 0.562 nan 8.380 nan 0.000 0.548 17 A N -0.477 122.333 122.820 -0.017 0.000 2.692 17 A HA 0.253 4.573 4.320 0.000 0.000 0.175 17 A C 0.174 177.651 177.584 -0.178 0.000 1.537 17 A CA -0.212 51.870 52.037 0.074 0.000 1.134 17 A CB 0.468 19.502 19.000 0.056 0.000 1.419 17 A HN 0.241 nan 8.150 nan 0.000 0.514 18 F N -1.555 118.288 119.950 -0.179 0.000 2.557 18 F HA 0.300 4.827 4.527 0.000 0.000 0.218 18 F C 1.802 177.611 175.800 0.015 0.000 1.378 18 F CA -0.669 57.213 58.000 -0.196 0.000 1.116 18 F CB -1.045 37.920 39.000 -0.059 0.000 2.027 18 F HN -0.025 nan 8.300 nan 0.000 0.187 19 I N 1.330 121.960 120.570 0.101 0.000 4.705 19 I HA -0.377 3.793 4.170 0.000 0.000 0.070 19 I C 1.223 177.446 176.117 0.176 0.000 0.645 19 I CA 2.728 64.112 61.300 0.140 0.000 0.527 19 I CB -1.652 36.372 38.000 0.040 0.000 0.490 19 I HN 0.563 nan 8.210 nan 0.000 0.179 20 D N 1.200 121.657 120.400 0.096 0.000 2.336 20 D HA 0.151 4.791 4.640 0.000 0.000 0.228 20 D C 0.763 177.105 176.300 0.071 0.000 1.120 20 D CA -0.149 53.905 54.000 0.090 0.000 0.839 20 D CB 0.045 40.877 40.800 0.052 0.000 0.932 20 D HN 0.111 nan 8.370 nan 0.000 0.509 21 L N 2.451 123.713 121.223 0.065 0.000 2.462 21 L HA 0.144 4.484 4.340 0.000 0.000 0.272 21 L C -2.278 174.647 176.870 0.091 0.000 1.166 21 L CA -0.786 54.049 54.840 -0.008 0.000 0.880 21 L CB 0.541 42.512 42.059 -0.146 0.000 1.142 21 L HN -0.259 nan 8.230 nan 0.000 0.473 22 P HA 0.254 nan 4.420 nan 0.000 0.276 22 P C -1.098 176.261 177.300 0.099 0.000 1.230 22 P CA -0.203 62.944 63.100 0.078 0.000 0.776 22 P CB 1.133 32.855 31.700 0.036 0.000 0.888 23 A N 4.563 127.474 122.820 0.150 0.000 2.454 23 A HA 0.754 5.074 4.320 0.000 0.000 0.302 23 A C -2.832 174.801 177.584 0.082 0.000 1.079 23 A CA -2.159 49.956 52.037 0.130 0.000 0.731 23 A CB 0.816 19.963 19.000 0.245 0.000 1.299 23 A HN 0.280 nan 8.150 nan 0.000 0.413 24 P HA 0.079 nan 4.420 nan 0.000 0.269 24 P C 0.946 178.246 177.300 -0.001 0.000 1.209 24 P CA 0.378 63.444 63.100 -0.056 0.000 0.776 24 P CB 0.837 32.434 31.700 -0.171 0.000 0.876 25 S N 1.146 116.826 115.700 -0.033 0.000 2.461 25 S HA -0.100 4.370 4.470 0.000 0.000 0.228 25 S C 1.100 175.665 174.600 -0.059 0.000 1.005 25 S CA 0.706 58.871 58.200 -0.058 0.000 0.942 25 S CB -0.791 62.344 63.200 -0.109 0.000 0.776 25 S HN 0.568 nan 8.310 nan 0.000 0.514 26 N N 2.146 120.786 118.700 -0.100 0.000 2.238 26 N HA 0.132 4.872 4.740 0.000 0.000 0.222 26 N C 0.330 175.688 175.510 -0.254 0.000 1.133 26 N CA -0.493 52.476 53.050 -0.135 0.000 0.854 26 N CB -0.547 37.868 38.487 -0.120 0.000 1.041 26 N HN 0.703 nan 8.380 nan 0.000 0.510 27 I N -0.267 120.087 120.570 -0.360 0.000 2.634 27 I HA 0.241 4.411 4.170 0.000 0.000 0.284 27 I C 0.649 176.621 176.117 -0.240 0.000 1.124 27 I CA -0.803 60.074 61.300 -0.705 0.000 1.417 27 I CB 0.803 38.119 38.000 -1.141 0.000 1.396 27 I HN 0.033 nan 8.210 nan 0.000 0.571 28 S N 3.109 118.747 115.700 -0.103 0.000 2.719 28 S HA 0.284 4.754 4.470 0.000 0.000 0.285 28 S C 0.960 175.730 174.600 0.284 0.000 1.137 28 S CA -0.406 57.890 58.200 0.161 0.000 1.012 28 S CB 1.323 64.692 63.200 0.280 0.000 1.134 28 S HN 0.699 nan 8.310 nan 0.000 0.544 29 S N -0.377 115.412 115.700 0.148 0.000 2.469 29 S HA -0.052 4.418 4.470 0.000 0.000 0.238 29 S C 0.939 175.605 174.600 0.110 0.000 0.998 29 S CA 0.930 59.148 58.200 0.030 0.000 0.957 29 S CB -0.594 62.517 63.200 -0.150 0.000 0.764 29 S HN 0.736 nan 8.310 nan 0.000 0.514 30 W N 0.254 121.816 121.300 0.437 0.000 2.611 30 W HA 0.076 4.736 4.660 0.000 0.000 0.251 30 W C 1.474 178.230 176.519 0.396 0.000 1.265 30 W CA -0.323 57.318 57.345 0.493 0.000 1.295 30 W CB -0.132 29.545 29.460 0.361 0.000 1.129 30 W HN 0.379 nan 8.180 nan 0.000 0.630 31 W N -0.130 121.366 121.300 0.325 0.000 3.290 31 W HA 0.038 4.698 4.660 0.000 0.000 0.287 31 W C 0.833 177.452 176.519 0.167 0.000 1.288 31 W CA 0.161 57.645 57.345 0.231 0.000 1.725 31 W CB -0.411 29.092 29.460 0.071 0.000 1.103 31 W HN -0.051 nan 8.180 nan 0.000 0.670 32 N N -0.081 118.744 118.700 0.208 0.000 2.416 32 N HA -0.067 4.673 4.740 0.000 0.000 0.177 32 N C 1.228 176.658 175.510 -0.133 0.000 1.036 32 N CA 0.871 53.902 53.050 -0.031 0.000 0.901 32 N CB -0.496 37.842 38.487 -0.248 0.000 0.976 32 N HN -0.091 nan 8.380 nan 0.000 0.444 33 F N 0.258 120.313 119.950 0.176 0.000 2.333 33 F HA 0.035 4.562 4.527 0.000 0.000 0.300 33 F C 2.355 178.143 175.800 -0.019 0.000 1.083 33 F CA 0.784 58.855 58.000 0.119 0.000 1.395 33 F CB -0.746 38.392 39.000 0.229 0.000 1.056 33 F HN 0.073 nan 8.300 nan 0.000 0.529 34 G N -0.298 108.612 108.800 0.183 0.000 2.404 34 G HA2 -0.254 3.706 3.960 0.000 0.000 0.215 34 G HA3 -0.254 3.706 3.960 0.000 0.000 0.215 34 G C 1.814 176.708 174.900 -0.009 0.000 1.174 34 G CA 1.069 46.179 45.100 0.017 0.000 0.780 34 G HN 0.439 nan 8.290 nan 0.000 0.537 35 S N 0.603 116.330 115.700 0.046 0.000 2.406 35 S HA 0.069 4.539 4.470 0.000 0.000 0.228 35 S C 2.332 176.899 174.600 -0.056 0.000 1.020 35 S CA 0.803 59.014 58.200 0.018 0.000 0.965 35 S CB -0.370 62.877 63.200 0.078 0.000 0.798 35 S HN 0.269 nan 8.310 nan 0.000 0.488 36 L N 0.594 121.770 121.223 -0.079 0.000 2.131 36 L HA 0.003 4.343 4.340 0.000 0.000 0.210 36 L C 2.538 179.294 176.870 -0.191 0.000 1.092 36 L CA 0.997 55.767 54.840 -0.116 0.000 0.759 36 L CB -0.639 41.357 42.059 -0.105 0.000 0.903 36 L HN 0.319 nan 8.230 nan 0.000 0.435 37 L N -0.528 120.568 121.223 -0.211 0.000 2.093 37 L HA -0.091 4.249 4.340 0.000 0.000 0.208 37 L C 2.642 179.264 176.870 -0.414 0.000 1.085 37 L CA 1.212 55.819 54.840 -0.388 0.000 0.755 37 L CB -0.889 40.984 42.059 -0.310 0.000 0.904 37 L HN 0.279 nan 8.230 nan 0.000 0.435 38 G N -0.008 108.655 108.800 -0.228 0.000 2.408 38 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 38 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 38 G C 1.598 176.383 174.900 -0.191 0.000 1.150 38 G CA 0.464 45.463 45.100 -0.168 0.000 0.776 38 G HN 0.258 nan 8.290 nan 0.000 0.542 39 I N 0.206 120.663 120.570 -0.188 0.000 2.252 39 I HA -0.155 4.015 4.170 0.000 0.000 0.245 39 I C 2.752 178.728 176.117 -0.234 0.000 1.102 39 I CA 0.433 61.634 61.300 -0.164 0.000 1.385 39 I CB -0.179 37.749 38.000 -0.120 0.000 1.064 39 I HN 0.179 nan 8.210 nan 0.000 0.414 40 C N 0.202 119.271 119.300 -0.385 0.000 2.429 40 C HA -0.167 4.293 4.460 0.000 0.000 0.277 40 C C 2.727 177.418 174.990 -0.499 0.000 1.262 40 C CA 0.539 59.245 59.018 -0.519 0.000 1.733 40 C CB -0.910 26.258 27.740 -0.953 0.000 2.010 40 C HN 0.491 nan 8.230 nan 0.000 0.483 41 L N 0.799 121.686 121.223 -0.561 0.000 2.046 41 L HA -0.054 4.286 4.340 0.000 0.000 0.208 41 L C 2.132 178.920 176.870 -0.136 0.000 1.077 41 L CA 1.848 56.556 54.840 -0.220 0.000 0.747 41 L CB -0.636 41.339 42.059 -0.141 0.000 0.896 41 L HN 0.329 nan 8.230 nan 0.000 0.432 42 I N -1.394 119.094 120.570 -0.138 0.000 2.315 42 I HA -0.289 3.881 4.170 0.000 0.000 0.248 42 I C 2.341 178.422 176.117 -0.059 0.000 1.117 42 I CA 0.966 62.216 61.300 -0.083 0.000 1.404 42 I CB -0.223 37.738 38.000 -0.064 0.000 1.071 42 I HN 0.246 nan 8.210 nan 0.000 0.419 43 L N -0.030 121.148 121.223 -0.074 0.000 2.056 43 L HA -0.213 4.127 4.340 0.000 0.000 0.207 43 L C 2.733 179.615 176.870 0.020 0.000 1.078 43 L CA 1.140 55.957 54.840 -0.037 0.000 0.749 43 L CB -0.502 41.524 42.059 -0.055 0.000 0.901 43 L HN 0.309 nan 8.230 nan 0.000 0.433 44 Q N -0.150 119.657 119.800 0.011 0.000 2.079 44 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 44 Q C 2.255 178.324 176.000 0.114 0.000 0.974 44 Q CA 1.503 57.363 55.803 0.094 0.000 0.840 44 Q CB -0.193 28.572 28.738 0.046 0.000 0.898 44 Q HN 0.555 nan 8.270 nan 0.000 0.430 45 I N 0.287 120.838 120.570 -0.031 0.000 2.252 45 I HA -0.269 3.901 4.170 0.000 0.000 0.245 45 I C 2.187 178.312 176.117 0.012 0.000 1.102 45 I CA 0.816 62.047 61.300 -0.115 0.000 1.385 45 I CB -0.205 37.657 38.000 -0.230 0.000 1.064 45 I HN 0.131 nan 8.210 nan 0.000 0.414 46 L N 0.067 121.326 121.223 0.060 0.000 2.023 46 L HA -0.178 4.162 4.340 0.000 0.000 0.205 46 L C 2.872 179.857 176.870 0.192 0.000 1.073 46 L CA 2.010 56.934 54.840 0.140 0.000 0.745 46 L CB -1.170 40.931 42.059 0.071 0.000 0.900 46 L HN 0.375 nan 8.230 nan 0.000 0.435 47 T N -2.685 111.936 114.554 0.111 0.000 2.788 47 T HA -0.114 4.236 4.350 0.000 0.000 0.268 47 T C 1.926 176.628 174.700 0.003 0.000 1.044 47 T CA 1.056 63.210 62.100 0.089 0.000 1.139 47 T CB -1.002 67.945 68.868 0.130 0.000 0.867 47 T HN 0.402 nan 8.240 nan 0.000 0.454 48 G N 1.590 110.350 108.800 -0.068 0.000 2.421 48 G HA2 -0.049 3.911 3.960 0.000 0.000 0.216 48 G HA3 -0.049 3.911 3.960 0.000 0.000 0.216 48 G C 1.539 176.345 174.900 -0.155 0.000 1.171 48 G CA 0.702 45.619 45.100 -0.305 0.000 0.775 48 G HN 0.513 nan 8.290 nan 0.000 0.543 49 L N -0.869 120.318 121.223 -0.061 0.000 2.083 49 L HA 0.001 4.341 4.340 0.000 0.000 0.209 49 L C 2.667 179.507 176.870 -0.050 0.000 1.083 49 L CA 0.779 55.568 54.840 -0.085 0.000 0.752 49 L CB -0.325 41.724 42.059 -0.016 0.000 0.899 49 L HN 0.138 nan 8.230 nan 0.000 0.433 50 F N -0.446 119.493 119.950 -0.018 0.000 2.259 50 F HA -0.149 4.378 4.527 0.000 0.000 0.298 50 F C 2.188 178.045 175.800 0.096 0.000 1.088 50 F CA 1.041 59.066 58.000 0.041 0.000 1.358 50 F CB -0.284 38.737 39.000 0.034 0.000 1.040 50 F HN -0.054 nan 8.300 nan 0.000 0.505 51 L N -0.923 120.394 121.223 0.157 0.000 2.109 51 L HA -0.108 4.232 4.340 0.000 0.000 0.207 51 L C 2.626 179.594 176.870 0.162 0.000 1.086 51 L CA 0.971 55.880 54.840 0.116 0.000 0.760 51 L CB -0.914 41.094 42.059 -0.085 0.000 0.910 51 L HN 0.078 nan 8.230 nan 0.000 0.437 52 A N -0.397 122.504 122.820 0.135 0.000 2.070 52 A HA -0.178 4.142 4.320 0.000 0.000 0.220 52 A C 2.220 179.945 177.584 0.235 0.000 1.159 52 A CA 1.303 53.524 52.037 0.307 0.000 0.656 52 A CB -0.486 18.733 19.000 0.364 0.000 0.800 52 A HN 0.383 nan 8.150 nan 0.000 0.453 53 M N -1.297 118.336 119.600 0.055 0.000 2.557 53 M HA -0.034 4.446 4.480 0.000 0.000 0.259 53 M C 1.132 177.222 176.300 -0.350 0.000 1.086 53 M CA 0.905 56.103 55.300 -0.169 0.000 1.096 53 M CB -0.103 32.286 32.600 -0.351 0.000 1.424 53 M HN 0.505 nan 8.290 nan 0.000 0.488 54 H N -3.107 116.036 119.070 0.121 0.000 3.457 54 H HA 0.145 4.701 4.556 0.000 0.000 0.255 54 H C -0.321 175.065 175.328 0.097 0.000 1.082 54 H CA -0.190 55.932 56.048 0.122 0.000 1.189 54 H CB 0.377 30.233 29.762 0.157 0.000 1.511 54 H HN 0.215 nan 8.280 nan 0.000 0.527 55 Y N 3.756 124.086 120.300 0.049 0.000 2.346 55 Y HA 0.240 4.790 4.550 0.000 0.000 0.330 55 Y C 0.260 176.024 175.900 -0.227 0.000 1.178 55 Y CA -0.346 57.686 58.100 -0.114 0.000 1.331 55 Y CB 0.816 39.139 38.460 -0.228 0.000 1.253 55 Y HN -0.048 nan 8.280 nan 0.000 0.529 56 T N 1.202 115.136 114.554 -1.034 0.000 2.824 56 T HA 0.312 4.662 4.350 0.000 0.000 0.282 56 T C 0.307 174.267 174.700 -1.235 0.000 0.993 56 T CA -0.349 61.258 62.100 -0.822 0.000 0.967 56 T CB 1.221 69.831 68.868 -0.430 0.000 0.960 56 T HN 0.660 nan 8.240 nan 0.000 0.441 57 S N 0.648 115.865 115.700 -0.804 0.000 2.671 57 S HA 0.083 4.553 4.470 0.000 0.000 0.220 57 S C 0.266 174.622 174.600 -0.407 0.000 0.951 57 S CA -0.514 57.362 58.200 -0.539 0.000 0.932 57 S CB -0.342 62.769 63.200 -0.148 0.000 0.777 57 S HN 0.810 nan 8.310 nan 0.000 0.508 58 D N 2.698 122.865 120.400 -0.388 0.000 2.351 58 D HA 0.085 4.725 4.640 0.000 0.000 0.251 58 D C 1.461 177.529 176.300 -0.386 0.000 1.137 58 D CA 0.417 54.225 54.000 -0.319 0.000 0.879 58 D CB 1.825 42.485 40.800 -0.234 0.000 1.181 58 D HN 0.325 nan 8.370 nan 0.000 0.448 59 T N -0.138 114.150 114.554 -0.443 0.000 2.897 59 T HA -0.213 4.137 4.350 0.000 0.000 0.271 59 T C 1.688 176.251 174.700 -0.229 0.000 1.084 59 T CA 1.867 63.642 62.100 -0.543 0.000 1.123 59 T CB -0.484 68.123 68.868 -0.436 0.000 0.865 59 T HN 0.505 nan 8.240 nan 0.000 0.496 60 T N -0.128 114.328 114.554 -0.163 0.000 3.023 60 T HA -0.003 4.347 4.350 0.000 0.000 0.266 60 T C 1.955 176.610 174.700 -0.075 0.000 1.093 60 T CA 1.245 63.294 62.100 -0.085 0.000 1.129 60 T CB -0.593 68.228 68.868 -0.078 0.000 0.899 60 T HN 0.643 nan 8.240 nan 0.000 0.491 61 T N -2.538 111.938 114.554 -0.130 0.000 3.004 61 T HA 0.640 4.990 4.350 0.000 0.000 0.266 61 T C 2.102 176.716 174.700 -0.143 0.000 0.986 61 T CA 0.387 62.416 62.100 -0.119 0.000 0.902 61 T CB -0.109 68.665 68.868 -0.158 0.000 1.118 61 T HN 0.345 nan 8.240 nan 0.000 0.522 62 A N 1.902 124.601 122.820 -0.201 0.000 1.849 62 A HA -0.015 4.305 4.320 0.000 0.000 0.217 62 A C 1.860 179.484 177.584 0.067 0.000 1.202 62 A CA 1.790 53.704 52.037 -0.205 0.000 0.629 62 A CB -1.383 17.522 19.000 -0.158 0.000 0.834 62 A HN 0.483 nan 8.150 nan 0.000 0.447 63 F N 1.246 121.225 119.950 0.050 0.000 2.126 63 F HA -0.183 4.344 4.527 0.000 0.000 0.299 63 F C 2.678 178.520 175.800 0.069 0.000 1.096 63 F CA 2.003 60.061 58.000 0.096 0.000 1.255 63 F CB -0.282 38.788 39.000 0.117 0.000 0.997 63 F HN 0.206 nan 8.300 nan 0.000 0.479 64 S N -0.497 115.381 115.700 0.297 0.000 2.382 64 S HA -0.199 4.271 4.470 0.000 0.000 0.228 64 S C 2.245 176.909 174.600 0.106 0.000 1.027 64 S CA 1.304 59.622 58.200 0.195 0.000 0.991 64 S CB -0.680 62.592 63.200 0.120 0.000 0.823 64 S HN 0.615 nan 8.310 nan 0.000 0.469 65 S N 1.268 116.991 115.700 0.039 0.000 2.402 65 S HA -0.029 4.441 4.470 0.000 0.000 0.229 65 S C 1.808 176.477 174.600 0.116 0.000 1.021 65 S CA 0.938 59.166 58.200 0.045 0.000 0.974 65 S CB -0.560 62.581 63.200 -0.097 0.000 0.800 65 S HN 0.286 nan 8.310 nan 0.000 0.484 66 V N 2.800 122.750 119.914 0.061 0.000 2.453 66 V HA -0.106 4.014 4.120 0.000 0.000 0.247 66 V C 3.209 179.290 176.094 -0.021 0.000 1.048 66 V CA 1.953 64.257 62.300 0.006 0.000 1.049 66 V CB -1.409 30.349 31.823 -0.108 0.000 0.672 66 V HN 0.875 nan 8.190 nan 0.000 0.457 67 T N -1.976 112.567 114.554 -0.018 0.000 2.867 67 T HA -0.283 4.067 4.350 0.000 0.000 0.268 67 T C 1.900 176.656 174.700 0.093 0.000 1.057 67 T CA 1.710 63.836 62.100 0.043 0.000 1.136 67 T CB -0.648 68.282 68.868 0.102 0.000 0.874 67 T HN 0.660 nan 8.240 nan 0.000 0.466 68 H N 0.988 120.073 119.070 0.024 0.000 2.357 68 H HA 0.029 4.585 4.556 0.000 0.000 0.301 68 H C 2.166 177.493 175.328 -0.002 0.000 1.082 68 H CA 1.532 57.592 56.048 0.020 0.000 1.342 68 H CB -0.242 29.532 29.762 0.019 0.000 1.389 68 H HN 0.425 nan 8.280 nan 0.000 0.511 69 I N 0.332 120.855 120.570 -0.078 0.000 2.127 69 I HA -0.344 3.826 4.170 0.000 0.000 0.241 69 I C 2.813 178.866 176.117 -0.106 0.000 1.075 69 I CA 1.323 62.524 61.300 -0.165 0.000 1.334 69 I CB -0.311 37.663 38.000 -0.043 0.000 1.040 69 I HN 0.351 nan 8.210 nan 0.000 0.405 70 C N 0.176 119.478 119.300 0.003 0.000 2.432 70 C HA -0.063 4.397 4.460 0.000 0.000 0.280 70 C C 2.771 177.842 174.990 0.136 0.000 1.353 70 C CA 0.669 59.769 59.018 0.136 0.000 1.766 70 C CB -1.300 26.550 27.740 0.183 0.000 1.924 70 C HN 0.433 nan 8.230 nan 0.000 0.509 71 R N 0.055 120.577 120.500 0.035 0.000 2.123 71 R HA 0.045 4.386 4.340 0.000 0.000 0.209 71 R C 1.163 177.441 176.300 -0.037 0.000 1.078 71 R CA 0.840 56.951 56.100 0.019 0.000 1.028 71 R CB -0.028 30.293 30.300 0.035 0.000 0.939 71 R HN 0.442 nan 8.270 nan 0.000 0.463 72 D N -0.266 120.039 120.400 -0.158 0.000 2.454 72 D HA 0.079 4.719 4.640 0.000 0.000 0.219 72 D C 0.022 176.173 176.300 -0.250 0.000 1.081 72 D CA 0.257 54.145 54.000 -0.188 0.000 0.867 72 D CB 0.756 41.468 40.800 -0.147 0.000 1.054 72 D HN -0.127 nan 8.370 nan 0.000 0.500 73 V N 3.087 122.778 119.914 -0.372 0.000 2.555 73 V HA 0.035 4.155 4.120 0.000 0.000 0.286 73 V C 0.455 176.448 176.094 -0.168 0.000 1.044 73 V CA -0.663 61.445 62.300 -0.320 0.000 1.026 73 V CB 0.755 32.266 31.823 -0.519 0.000 0.981 73 V HN 0.084 nan 8.190 nan 0.000 0.480 74 N N 4.786 123.425 118.700 -0.101 0.000 2.411 74 N HA -0.006 4.734 4.740 0.000 0.000 0.265 74 N C 0.197 175.663 175.510 -0.073 0.000 1.266 74 N CA 0.357 53.342 53.050 -0.109 0.000 0.889 74 N CB -0.232 38.271 38.487 0.026 0.000 1.069 74 N HN 0.743 nan 8.380 nan 0.000 0.476 75 Y N -1.284 118.943 120.300 -0.121 0.000 4.538 75 Y HA -0.270 4.280 4.550 0.000 0.000 0.225 75 Y C 1.778 177.402 175.900 -0.459 0.000 1.074 75 Y CA 0.840 58.692 58.100 -0.413 0.000 1.942 75 Y CB -1.829 36.428 38.460 -0.338 0.000 1.618 75 Y HN 0.709 nan 8.280 nan 0.000 0.642 76 G N 0.389 109.082 108.800 -0.178 0.000 2.422 76 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 76 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 76 G C 1.372 176.230 174.900 -0.071 0.000 1.146 76 G CA 0.948 45.973 45.100 -0.126 0.000 0.769 76 G HN 0.785 nan 8.290 nan 0.000 0.547 77 W N 0.398 121.719 121.300 0.036 0.000 2.363 77 W HA 0.093 4.753 4.660 0.000 0.000 0.296 77 W C 1.931 178.584 176.519 0.223 0.000 1.212 77 W CA 0.468 57.899 57.345 0.143 0.000 1.260 77 W CB -1.058 28.509 29.460 0.179 0.000 1.131 77 W HN 0.217 nan 8.180 nan 0.000 0.530 78 I N 1.062 121.210 120.570 -0.703 0.000 2.439 78 I HA -0.234 3.936 4.170 0.000 0.000 0.251 78 I C 2.510 178.525 176.117 -0.171 0.000 1.139 78 I CA 1.256 62.237 61.300 -0.532 0.000 1.438 78 I CB -0.168 37.217 38.000 -1.025 0.000 1.085 78 I HN -0.179 nan 8.210 nan 0.000 0.427 79 I N 0.223 120.679 120.570 -0.190 0.000 2.252 79 I HA -0.250 3.920 4.170 0.000 0.000 0.245 79 I C 2.667 178.774 176.117 -0.017 0.000 1.102 79 I CA 0.735 61.980 61.300 -0.092 0.000 1.385 79 I CB -0.541 37.409 38.000 -0.084 0.000 1.064 79 I HN 0.227 nan 8.210 nan 0.000 0.414 80 R N 0.976 121.448 120.500 -0.047 0.000 2.070 80 R HA -0.192 4.148 4.340 0.000 0.000 0.233 80 R C 2.235 178.453 176.300 -0.136 0.000 1.137 80 R CA 1.997 58.023 56.100 -0.122 0.000 0.945 80 R CB -0.689 29.459 30.300 -0.254 0.000 0.845 80 R HN 0.285 nan 8.270 nan 0.000 0.430 81 Y N 0.045 120.443 120.300 0.163 0.000 2.439 81 Y HA -0.004 4.546 4.550 0.000 0.000 0.292 81 Y C 2.416 178.405 175.900 0.149 0.000 1.130 81 Y CA 0.967 59.175 58.100 0.181 0.000 1.254 81 Y CB -0.240 38.357 38.460 0.229 0.000 1.000 81 Y HN 0.028 nan 8.280 nan 0.000 0.554 82 M N -1.688 118.034 119.600 0.203 0.000 2.200 82 M HA -0.184 4.296 4.480 0.000 0.000 0.265 82 M C 1.983 178.375 176.300 0.154 0.000 1.066 82 M CA 1.497 56.883 55.300 0.142 0.000 1.127 82 M CB -0.285 32.352 32.600 0.062 0.000 1.379 82 M HN 0.286 nan 8.290 nan 0.000 0.420 83 H N 0.248 119.352 119.070 0.056 0.000 2.326 83 H HA 0.007 4.563 4.556 0.000 0.000 0.301 83 H C 1.924 177.313 175.328 0.101 0.000 1.081 83 H CA 2.080 58.165 56.048 0.061 0.000 1.334 83 H CB 0.046 29.829 29.762 0.035 0.000 1.385 83 H HN 0.305 nan 8.280 nan 0.000 0.504 84 A N 0.579 123.497 122.820 0.164 0.000 1.858 84 A HA -0.196 4.124 4.320 0.000 0.000 0.216 84 A C 2.222 179.915 177.584 0.182 0.000 1.190 84 A CA 1.782 53.913 52.037 0.157 0.000 0.617 84 A CB -0.495 18.624 19.000 0.198 0.000 0.827 84 A HN 0.564 nan 8.150 nan 0.000 0.443 85 N N -0.154 118.677 118.700 0.219 0.000 2.396 85 N HA -0.083 4.658 4.740 0.000 0.000 0.180 85 N C 1.760 177.379 175.510 0.182 0.000 1.028 85 N CA 1.048 54.235 53.050 0.227 0.000 0.893 85 N CB -0.315 38.306 38.487 0.224 0.000 0.967 85 N HN 0.514 nan 8.380 nan 0.000 0.440 86 G N 0.946 109.816 108.800 0.117 0.000 2.408 86 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 86 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 86 G C 1.673 176.629 174.900 0.094 0.000 1.150 86 G CA 0.879 46.022 45.100 0.071 0.000 0.776 86 G HN 0.368 nan 8.290 nan 0.000 0.542 87 A N 0.621 123.480 122.820 0.065 0.000 1.933 87 A HA 0.031 4.351 4.320 0.000 0.000 0.218 87 A C 2.671 180.355 177.584 0.166 0.000 1.175 87 A CA 2.202 54.276 52.037 0.062 0.000 0.628 87 A CB -0.541 18.470 19.000 0.020 0.000 0.814 87 A HN 0.302 nan 8.150 nan 0.000 0.444 88 S N -0.724 115.158 115.700 0.304 0.000 2.368 88 S HA -0.091 4.379 4.470 0.000 0.000 0.224 88 S C 2.024 176.911 174.600 0.478 0.000 1.029 88 S CA 1.477 60.001 58.200 0.541 0.000 0.988 88 S CB -0.271 63.345 63.200 0.693 0.000 0.838 88 S HN 0.472 nan 8.310 nan 0.000 0.462 89 M N 0.137 119.916 119.600 0.300 0.000 2.229 89 M HA 0.016 4.496 4.480 0.000 0.000 0.264 89 M C 1.775 178.177 176.300 0.169 0.000 1.063 89 M CA 1.057 56.489 55.300 0.220 0.000 1.114 89 M CB -1.395 31.281 32.600 0.126 0.000 1.387 89 M HN 0.277 nan 8.290 nan 0.000 0.420 90 F N 0.651 120.555 119.950 -0.076 0.000 2.095 90 F HA -0.214 4.313 4.527 0.000 0.000 0.298 90 F C 2.089 177.628 175.800 -0.435 0.000 1.104 90 F CA 1.533 59.361 58.000 -0.287 0.000 1.232 90 F CB -0.761 37.967 39.000 -0.454 0.000 0.987 90 F HN -0.007 nan 8.300 nan 0.000 0.475 91 F N -0.272 119.619 119.950 -0.098 0.000 2.186 91 F HA -0.145 4.382 4.527 0.000 0.000 0.299 91 F C 2.415 178.070 175.800 -0.242 0.000 1.090 91 F CA 1.136 58.868 58.000 -0.446 0.000 1.307 91 F CB -0.685 37.818 39.000 -0.827 0.000 1.019 91 F HN -0.109 nan 8.300 nan 0.000 0.489 92 I N -0.939 119.825 120.570 0.323 0.000 2.163 92 I HA -0.372 3.798 4.170 0.000 0.000 0.243 92 I C 2.347 178.571 176.117 0.179 0.000 1.085 92 I CA 1.135 62.654 61.300 0.366 0.000 1.347 92 I CB -0.586 37.626 38.000 0.352 0.000 1.044 92 I HN 0.229 nan 8.210 nan 0.000 0.408 93 C N 0.376 119.766 119.300 0.150 0.000 2.425 93 C HA -0.119 4.341 4.460 0.000 0.000 0.277 93 C C 2.723 177.748 174.990 0.058 0.000 1.280 93 C CA 0.444 59.560 59.018 0.162 0.000 1.744 93 C CB -0.968 26.890 27.740 0.198 0.000 1.989 93 C HN 0.450 nan 8.230 nan 0.000 0.491 94 L N -0.509 120.694 121.223 -0.033 0.000 2.017 94 L HA -0.179 4.161 4.340 0.000 0.000 0.208 94 L C 2.600 179.522 176.870 0.087 0.000 1.073 94 L CA 1.724 56.531 54.840 -0.055 0.000 0.745 94 L CB -0.667 41.207 42.059 -0.308 0.000 0.894 94 L HN 0.307 nan 8.230 nan 0.000 0.432 95 Y N -1.230 119.141 120.300 0.118 0.000 2.293 95 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 95 Y C 2.549 178.466 175.900 0.030 0.000 1.137 95 Y CA 0.616 58.767 58.100 0.084 0.000 1.202 95 Y CB -0.555 37.978 38.460 0.122 0.000 0.990 95 Y HN 0.149 nan 8.280 nan 0.000 0.537 96 M N -1.248 118.401 119.600 0.082 0.000 2.156 96 M HA -0.178 4.302 4.480 0.000 0.000 0.264 96 M C 2.103 178.389 176.300 -0.024 0.000 1.067 96 M CA 1.628 56.859 55.300 -0.115 0.000 1.131 96 M CB -1.440 30.643 32.600 -0.860 0.000 1.368 96 M HN 0.319 nan 8.290 nan 0.000 0.416 97 H N 0.632 119.663 119.070 -0.065 0.000 2.319 97 H HA -0.081 4.475 4.556 0.000 0.000 0.299 97 H C 1.956 177.347 175.328 0.106 0.000 1.092 97 H CA 2.021 58.121 56.048 0.085 0.000 1.302 97 H CB -0.075 29.763 29.762 0.126 0.000 1.373 97 H HN 0.061 nan 8.280 nan 0.000 0.497 98 V N -0.107 119.909 119.914 0.171 0.000 2.358 98 V HA -0.171 3.949 4.120 0.000 0.000 0.246 98 V C 2.721 178.923 176.094 0.179 0.000 1.047 98 V CA 1.729 64.118 62.300 0.147 0.000 1.035 98 V CB -1.185 30.730 31.823 0.154 0.000 0.658 98 V HN 0.710 nan 8.190 nan 0.000 0.452 99 G N 0.147 109.020 108.800 0.121 0.000 2.440 99 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 99 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 99 G C 1.729 176.636 174.900 0.012 0.000 1.154 99 G CA 0.884 46.049 45.100 0.108 0.000 0.767 99 G HN 0.336 nan 8.290 nan 0.000 0.552 100 R N 1.275 121.727 120.500 -0.080 0.000 2.083 100 R HA -0.059 4.281 4.340 0.000 0.000 0.237 100 R C 2.692 178.969 176.300 -0.037 0.000 1.137 100 R CA 2.060 58.081 56.100 -0.133 0.000 0.951 100 R CB -1.366 28.863 30.300 -0.118 0.000 0.851 100 R HN 0.283 nan 8.270 nan 0.000 0.434 101 G N 1.397 110.208 108.800 0.019 0.000 2.446 101 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 101 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 101 G C 1.790 176.756 174.900 0.110 0.000 1.168 101 G CA 0.902 46.087 45.100 0.142 0.000 0.771 101 G HN 0.320 nan 8.290 nan 0.000 0.551 102 L N -1.319 120.033 121.223 0.215 0.000 2.005 102 L HA -0.039 4.301 4.340 0.000 0.000 0.207 102 L C 2.578 179.458 176.870 0.017 0.000 1.072 102 L CA 1.326 56.299 54.840 0.222 0.000 0.744 102 L CB -0.595 41.633 42.059 0.280 0.000 0.895 102 L HN 0.261 nan 8.230 nan 0.000 0.433 103 Y N -0.292 119.758 120.300 -0.417 0.000 2.165 103 Y HA -0.301 4.249 4.550 0.000 0.000 0.286 103 Y C 2.008 177.432 175.900 -0.794 0.000 1.155 103 Y CA 1.709 59.236 58.100 -0.956 0.000 1.164 103 Y CB -0.134 37.347 38.460 -1.633 0.000 0.978 103 Y HN 0.084 nan 8.280 nan 0.000 0.513 104 Y N -0.271 119.944 120.300 -0.142 0.000 2.466 104 Y HA 0.274 4.824 4.550 0.000 0.000 0.272 104 Y C 1.749 177.462 175.900 -0.310 0.000 1.169 104 Y CA 0.180 58.196 58.100 -0.139 0.000 1.285 104 Y CB 0.015 38.506 38.460 0.051 0.000 1.078 104 Y HN 0.204 nan 8.280 nan 0.000 0.523 105 G N -0.398 108.146 108.800 -0.427 0.000 2.198 105 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 105 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 105 G C 1.170 175.426 174.900 -1.074 0.000 1.025 105 G CA 0.662 45.156 45.100 -1.010 0.000 0.769 105 G HN 0.364 nan 8.290 nan 0.000 0.507 106 S N -0.590 114.701 115.700 -0.681 0.000 2.474 106 S HA -0.057 4.413 4.470 0.000 0.000 0.235 106 S C 1.898 176.175 174.600 -0.539 0.000 0.997 106 S CA 1.545 59.438 58.200 -0.512 0.000 0.949 106 S CB -0.366 62.761 63.200 -0.121 0.000 0.766 106 S HN 0.965 nan 8.310 nan 0.000 0.517 107 Y N 2.180 122.131 120.300 -0.582 0.000 2.651 107 Y HA -0.024 4.526 4.550 0.000 0.000 0.296 107 Y C 2.160 177.742 175.900 -0.531 0.000 1.150 107 Y CA 0.797 58.354 58.100 -0.905 0.000 1.348 107 Y CB -2.101 35.126 38.460 -2.054 0.000 0.983 107 Y HN 0.262 nan 8.280 nan 0.000 0.555 108 T N -3.463 110.739 114.554 -0.588 0.000 3.072 108 T HA -0.067 4.283 4.350 0.000 0.000 0.266 108 T C 0.162 174.787 174.700 -0.126 0.000 1.127 108 T CA 0.052 61.937 62.100 -0.359 0.000 1.107 108 T CB -0.793 67.768 68.868 -0.511 0.000 0.910 108 T HN 0.134 nan 8.240 nan 0.000 0.513 109 F N 2.458 122.384 119.950 -0.040 0.000 2.567 109 F HA 0.480 5.007 4.527 0.000 0.000 0.352 109 F C 1.336 177.198 175.800 0.103 0.000 1.229 109 F CA -2.308 55.718 58.000 0.044 0.000 1.228 109 F CB -0.580 38.469 39.000 0.083 0.000 1.568 109 F HN 0.036 nan 8.300 nan 0.000 0.634 110 L N 0.354 121.712 121.223 0.225 0.000 2.013 110 L HA -0.255 4.085 4.340 0.000 0.000 0.212 110 L C 2.004 178.965 176.870 0.151 0.000 1.073 110 L CA 1.552 56.503 54.840 0.184 0.000 0.753 110 L CB -0.358 41.763 42.059 0.103 0.000 0.890 110 L HN 0.305 nan 8.230 nan 0.000 0.432 111 E N -0.187 120.016 120.200 0.006 0.000 2.031 111 E HA -0.155 4.195 4.350 0.000 0.000 0.193 111 E C 2.183 178.689 176.600 -0.157 0.000 0.994 111 E CA 1.777 58.003 56.400 -0.290 0.000 0.800 111 E CB -0.588 28.640 29.700 -0.787 0.000 0.752 111 E HN 0.329 nan 8.360 nan 0.000 0.447 112 T N 0.658 115.247 114.554 0.057 0.000 2.684 112 T HA -0.193 4.157 4.350 0.000 0.000 0.267 112 T C 1.309 176.238 174.700 0.381 0.000 1.036 112 T CA 1.277 63.505 62.100 0.213 0.000 1.148 112 T CB -0.399 68.580 68.868 0.184 0.000 0.863 112 T HN 0.389 nan 8.240 nan 0.000 0.436 113 W N 2.397 123.813 121.300 0.193 0.000 2.355 113 W HA -0.145 4.515 4.660 0.000 0.000 0.309 113 W C 1.791 178.386 176.519 0.127 0.000 1.206 113 W CA 1.012 58.471 57.345 0.191 0.000 1.284 113 W CB -0.457 29.108 29.460 0.175 0.000 1.145 113 W HN 0.214 nan 8.180 nan 0.000 0.502 114 N N 1.002 119.823 118.700 0.201 0.000 2.166 114 N HA -0.180 4.560 4.740 0.000 0.000 0.186 114 N C 1.743 177.227 175.510 -0.042 0.000 1.019 114 N CA 1.942 55.018 53.050 0.043 0.000 0.856 114 N CB -0.813 37.720 38.487 0.077 0.000 0.993 114 N HN 0.292 nan 8.380 nan 0.000 0.426 115 I N 0.517 121.086 120.570 -0.003 0.000 2.286 115 I HA -0.152 4.018 4.170 0.000 0.000 0.248 115 I C 2.371 178.418 176.117 -0.116 0.000 1.115 115 I CA 1.065 62.361 61.300 -0.007 0.000 1.392 115 I CB -0.532 37.537 38.000 0.114 0.000 1.065 115 I HN 0.130 nan 8.210 nan 0.000 0.418 116 G N 0.500 109.214 108.800 -0.144 0.000 2.442 116 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 116 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 116 G C 1.695 176.402 174.900 -0.322 0.000 1.141 116 G CA 0.889 45.790 45.100 -0.332 0.000 0.763 116 G HN 0.257 nan 8.290 nan 0.000 0.554 117 V N 1.011 120.724 119.914 -0.336 0.000 2.427 117 V HA -0.115 4.005 4.120 0.000 0.000 0.248 117 V C 2.750 178.761 176.094 -0.138 0.000 1.051 117 V CA 1.352 63.498 62.300 -0.256 0.000 1.048 117 V CB -0.315 31.383 31.823 -0.209 0.000 0.666 117 V HN 0.395 nan 8.190 nan 0.000 0.456 118 I N -0.576 119.925 120.570 -0.115 0.000 2.315 118 I HA -0.237 3.933 4.170 0.000 0.000 0.248 118 I C 2.307 178.369 176.117 -0.091 0.000 1.117 118 I CA 1.462 62.717 61.300 -0.074 0.000 1.404 118 I CB -0.242 37.727 38.000 -0.051 0.000 1.071 118 I HN 0.262 nan 8.210 nan 0.000 0.419 119 L N -0.189 120.951 121.223 -0.138 0.000 2.046 119 L HA -0.233 4.107 4.340 0.000 0.000 0.208 119 L C 2.549 179.331 176.870 -0.146 0.000 1.077 119 L CA 0.960 55.709 54.840 -0.152 0.000 0.747 119 L CB -0.497 41.428 42.059 -0.223 0.000 0.896 119 L HN 0.273 nan 8.230 nan 0.000 0.432 120 L N -0.137 121.007 121.223 -0.132 0.000 2.012 120 L HA -0.227 4.113 4.340 0.000 0.000 0.210 120 L C 2.311 179.165 176.870 -0.028 0.000 1.073 120 L CA 1.804 56.594 54.840 -0.084 0.000 0.748 120 L CB -0.462 41.579 42.059 -0.030 0.000 0.891 120 L HN 0.105 nan 8.230 nan 0.000 0.431 121 L N -1.256 119.956 121.223 -0.018 0.000 2.083 121 L HA -0.204 4.136 4.340 0.000 0.000 0.209 121 L C 2.291 179.160 176.870 -0.000 0.000 1.083 121 L CA 1.726 56.573 54.840 0.011 0.000 0.752 121 L CB -0.948 41.111 42.059 0.001 0.000 0.899 121 L HN 0.304 nan 8.230 nan 0.000 0.433 122 T N -0.987 113.542 114.554 -0.042 0.000 2.857 122 T HA -0.111 4.239 4.350 0.000 0.000 0.266 122 T C 1.988 176.641 174.700 -0.078 0.000 1.048 122 T CA 1.004 63.074 62.100 -0.050 0.000 1.139 122 T CB -0.105 68.723 68.868 -0.066 0.000 0.874 122 T HN 0.047 nan 8.240 nan 0.000 0.455 123 V N 1.657 121.471 119.914 -0.167 0.000 2.427 123 V HA -0.145 3.975 4.120 0.000 0.000 0.248 123 V C 2.472 178.509 176.094 -0.096 0.000 1.051 123 V CA 1.494 63.593 62.300 -0.336 0.000 1.048 123 V CB -0.599 30.786 31.823 -0.730 0.000 0.666 123 V HN 0.493 nan 8.190 nan 0.000 0.456 124 M N -0.145 119.524 119.600 0.114 0.000 2.086 124 M HA -0.168 4.312 4.480 0.000 0.000 0.261 124 M C 2.414 178.937 176.300 0.371 0.000 1.067 124 M CA 2.222 57.773 55.300 0.418 0.000 1.116 124 M CB -0.623 32.191 32.600 0.355 0.000 1.348 124 M HN 0.398 nan 8.290 nan 0.000 0.407 125 A N -0.102 122.843 122.820 0.209 0.000 1.902 125 A HA -0.138 4.182 4.320 0.000 0.000 0.217 125 A C 2.195 179.928 177.584 0.249 0.000 1.181 125 A CA 2.186 54.367 52.037 0.240 0.000 0.623 125 A CB -1.104 17.964 19.000 0.113 0.000 0.818 125 A HN 0.465 nan 8.150 nan 0.000 0.443 126 T N 0.265 114.907 114.554 0.147 0.000 2.708 126 T HA -0.005 4.345 4.350 0.000 0.000 0.266 126 T C 2.239 177.101 174.700 0.270 0.000 1.037 126 T CA 1.599 63.791 62.100 0.153 0.000 1.146 126 T CB -0.448 68.413 68.868 -0.012 0.000 0.865 126 T HN 0.586 nan 8.240 nan 0.000 0.435 127 A N 1.313 124.269 122.820 0.227 0.000 1.933 127 A HA -0.007 4.313 4.320 0.000 0.000 0.218 127 A C 2.001 179.788 177.584 0.340 0.000 1.175 127 A CA 1.373 53.558 52.037 0.248 0.000 0.628 127 A CB -0.892 18.238 19.000 0.217 0.000 0.814 127 A HN 0.511 nan 8.150 nan 0.000 0.444 128 F N 0.662 120.807 119.950 0.325 0.000 2.075 128 F HA -0.186 4.341 4.527 0.000 0.000 0.297 128 F C 2.152 178.115 175.800 0.271 0.000 1.113 128 F CA 2.110 60.322 58.000 0.354 0.000 1.218 128 F CB -0.658 38.505 39.000 0.271 0.000 0.984 128 F HN 0.170 nan 8.300 nan 0.000 0.472 129 M N 0.460 119.782 119.600 -0.463 0.000 2.159 129 M HA -0.093 4.387 4.480 0.000 0.000 0.263 129 M C 2.469 178.589 176.300 -0.300 0.000 1.063 129 M CA 1.630 56.581 55.300 -0.582 0.000 1.110 129 M CB -1.311 31.032 32.600 -0.428 0.000 1.374 129 M HN 0.406 nan 8.290 nan 0.000 0.411 130 G N -0.740 107.828 108.800 -0.386 0.000 2.418 130 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 130 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 130 G C 1.298 176.108 174.900 -0.150 0.000 1.158 130 G CA 0.500 45.152 45.100 -0.747 0.000 0.771 130 G HN 0.384 nan 8.290 nan 0.000 0.545 131 Y N 1.218 121.465 120.300 -0.087 0.000 2.403 131 Y HA -0.053 4.497 4.550 0.000 0.000 0.291 131 Y C 2.709 178.636 175.900 0.044 0.000 1.143 131 Y CA 0.582 58.694 58.100 0.019 0.000 1.257 131 Y CB -0.057 38.475 38.460 0.120 0.000 0.984 131 Y HN 0.065 nan 8.280 nan 0.000 0.550 132 V N -0.291 119.650 119.914 0.045 0.000 2.719 132 V HA -0.262 3.858 4.120 0.000 0.000 0.252 132 V C 2.382 178.572 176.094 0.160 0.000 1.065 132 V CA 1.258 63.611 62.300 0.089 0.000 1.086 132 V CB -0.594 31.350 31.823 0.202 0.000 0.700 132 V HN 0.353 nan 8.190 nan 0.000 0.467 133 L N 0.989 122.240 121.223 0.047 0.000 2.043 133 L HA -0.128 4.213 4.340 0.000 0.000 0.212 133 L C 0.094 177.051 176.870 0.146 0.000 1.075 133 L CA 1.763 56.616 54.840 0.022 0.000 0.752 133 L CB -2.096 39.764 42.059 -0.332 0.000 0.891 133 L HN 0.396 nan 8.230 nan 0.000 0.432 134 P HA -0.239 nan 4.420 nan 0.000 0.234 134 P C 0.361 177.864 177.300 0.339 0.000 1.167 134 P CA 0.622 63.789 63.100 0.112 0.000 0.763 134 P CB -0.167 31.478 31.700 -0.091 0.000 0.835 135 W N 0.263 121.594 121.300 0.052 0.000 5.563 135 W HA -0.149 4.511 4.660 0.000 0.000 0.396 135 W C -0.086 176.531 176.519 0.163 0.000 1.519 135 W CA 0.017 57.412 57.345 0.085 0.000 0.953 135 W CB -1.330 28.188 29.460 0.097 0.000 2.691 135 W HN -0.016 nan 8.180 nan 0.000 1.444 136 G N 0.445 109.330 108.800 0.142 0.000 2.568 136 G HA2 0.203 4.163 3.960 0.000 0.000 0.293 136 G HA3 0.203 4.163 3.960 0.000 0.000 0.293 136 G C 0.530 175.377 174.900 -0.089 0.000 1.347 136 G CA -0.016 45.164 45.100 0.133 0.000 1.039 136 G HN 0.210 nan 8.290 nan 0.000 0.523 137 Q N -0.959 118.829 119.800 -0.020 0.000 2.084 137 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 137 Q C 2.714 178.785 176.000 0.117 0.000 0.978 137 Q CA 1.065 56.891 55.803 0.039 0.000 0.844 137 Q CB -0.203 28.624 28.738 0.149 0.000 0.898 137 Q HN 0.425 nan 8.270 nan 0.000 0.426 138 M N 0.009 119.648 119.600 0.066 0.000 2.175 138 M HA -0.078 4.402 4.480 0.000 0.000 0.264 138 M C 2.176 178.444 176.300 -0.052 0.000 1.063 138 M CA 1.032 56.389 55.300 0.094 0.000 1.119 138 M CB -1.002 31.681 32.600 0.137 0.000 1.377 138 M HN 0.011 nan 8.290 nan 0.000 0.415 139 S N 0.682 116.220 115.700 -0.269 0.000 2.353 139 S HA -0.155 4.315 4.470 0.000 0.000 0.222 139 S C 1.770 176.250 174.600 -0.201 0.000 1.035 139 S CA 1.343 59.390 58.200 -0.254 0.000 1.025 139 S CB -0.586 62.507 63.200 -0.179 0.000 0.902 139 S HN 0.441 nan 8.310 nan 0.000 0.440 140 F N 0.606 120.196 119.950 -0.600 0.000 2.134 140 F HA -0.077 4.450 4.527 0.000 0.000 0.299 140 F C 1.754 177.096 175.800 -0.763 0.000 1.097 140 F CA 1.264 58.691 58.000 -0.956 0.000 1.264 140 F CB -0.321 37.834 39.000 -1.408 0.000 1.001 140 F HN 0.239 nan 8.300 nan 0.000 0.479 141 W N -0.133 121.194 121.300 0.044 0.000 2.518 141 W HA 0.117 4.777 4.660 0.000 0.000 0.273 141 W C 2.551 179.100 176.519 0.050 0.000 1.247 141 W CA 0.765 58.136 57.345 0.043 0.000 1.288 141 W CB -0.927 28.591 29.460 0.097 0.000 1.107 141 W HN 0.070 nan 8.180 nan 0.000 0.586 142 G N 0.416 109.367 108.800 0.251 0.000 2.402 142 G HA2 -0.169 3.792 3.960 0.000 0.000 0.216 142 G HA3 -0.169 3.792 3.960 0.000 0.000 0.216 142 G C 1.676 176.812 174.900 0.394 0.000 1.162 142 G CA 1.158 46.456 45.100 0.330 0.000 0.777 142 G HN 0.250 nan 8.290 nan 0.000 0.539 143 A N 0.303 123.319 122.820 0.328 0.000 1.933 143 A HA 0.001 4.321 4.320 0.000 0.000 0.218 143 A C 2.516 180.257 177.584 0.261 0.000 1.175 143 A CA 2.427 54.715 52.037 0.419 0.000 0.628 143 A CB -0.875 18.145 19.000 0.032 0.000 0.814 143 A HN 0.298 nan 8.150 nan 0.000 0.444 144 T N -0.410 114.131 114.554 -0.021 0.000 2.643 144 T HA -0.115 4.235 4.350 0.000 0.000 0.264 144 T C 1.925 176.813 174.700 0.314 0.000 1.045 144 T CA 1.693 63.846 62.100 0.089 0.000 1.155 144 T CB -0.493 68.371 68.868 -0.008 0.000 0.863 144 T HN 0.142 nan 8.240 nan 0.000 0.420 145 V N 1.322 121.389 119.914 0.255 0.000 2.261 145 V HA -0.127 3.993 4.120 0.000 0.000 0.246 145 V C 2.425 178.577 176.094 0.098 0.000 1.047 145 V CA 1.543 63.956 62.300 0.190 0.000 1.015 145 V CB -0.609 31.315 31.823 0.168 0.000 0.642 145 V HN 0.454 nan 8.190 nan 0.000 0.446 146 I N -0.076 120.506 120.570 0.020 0.000 2.226 146 I HA -0.227 3.943 4.170 0.000 0.000 0.245 146 I C 2.500 178.572 176.117 -0.076 0.000 1.100 146 I CA 1.845 63.028 61.300 -0.196 0.000 1.374 146 I CB -0.600 36.964 38.000 -0.726 0.000 1.057 146 I HN 0.323 nan 8.210 nan 0.000 0.413 147 T N 0.271 114.916 114.554 0.152 0.000 2.821 147 T HA -0.111 4.239 4.350 0.000 0.000 0.267 147 T C 1.676 176.389 174.700 0.022 0.000 1.046 147 T CA 1.017 63.226 62.100 0.181 0.000 1.139 147 T CB -0.298 68.817 68.868 0.411 0.000 0.871 147 T HN 0.250 nan 8.240 nan 0.000 0.454 148 N N 1.198 119.946 118.700 0.081 0.000 2.573 148 N HA 0.072 4.812 4.740 0.000 0.000 0.187 148 N C 1.598 177.101 175.510 -0.012 0.000 1.107 148 N CA 0.316 53.375 53.050 0.015 0.000 0.918 148 N CB -0.332 38.233 38.487 0.131 0.000 0.966 148 N HN 0.421 nan 8.380 nan 0.000 0.448 149 L N 0.161 121.372 121.223 -0.020 0.000 2.127 149 L HA -0.133 4.207 4.340 0.000 0.000 0.211 149 L C 1.971 178.817 176.870 -0.040 0.000 1.089 149 L CA 0.742 55.559 54.840 -0.038 0.000 0.757 149 L CB -0.286 41.732 42.059 -0.068 0.000 0.899 149 L HN 0.167 nan 8.230 nan 0.000 0.434 150 L N -0.529 120.666 121.223 -0.046 0.000 2.275 150 L HA -0.137 4.203 4.340 0.000 0.000 0.215 150 L C 2.662 179.502 176.870 -0.050 0.000 1.119 150 L CA 1.089 55.903 54.840 -0.043 0.000 0.790 150 L CB -0.539 41.496 42.059 -0.039 0.000 0.919 150 L HN 0.371 nan 8.230 nan 0.000 0.443 151 S N -0.112 115.551 115.700 -0.061 0.000 2.547 151 S HA -0.063 4.407 4.470 0.000 0.000 0.235 151 S C 1.942 176.514 174.600 -0.047 0.000 0.980 151 S CA 0.650 58.816 58.200 -0.056 0.000 0.941 151 S CB -0.205 62.966 63.200 -0.048 0.000 0.763 151 S HN 0.351 nan 8.310 nan 0.000 0.532 152 A N 1.130 123.925 122.820 -0.042 0.000 2.119 152 A HA 0.371 4.691 4.320 0.000 0.000 0.216 152 A C 0.918 178.474 177.584 -0.048 0.000 1.152 152 A CA -0.010 52.000 52.037 -0.045 0.000 0.708 152 A CB -0.514 18.463 19.000 -0.038 0.000 0.805 152 A HN 0.611 nan 8.150 nan 0.000 0.460 153 I N 1.552 122.099 120.570 -0.038 0.000 2.517 153 I HA 0.101 4.271 4.170 0.000 0.000 0.285 153 I C -2.275 173.822 176.117 -0.033 0.000 1.106 153 I CA -1.812 59.473 61.300 -0.024 0.000 1.402 153 I CB 0.852 38.845 38.000 -0.011 0.000 1.399 153 I HN 0.033 nan 8.210 nan 0.000 0.535 154 P HA -0.029 nan 4.420 nan 0.000 0.262 154 P C -0.410 176.919 177.300 0.049 0.000 1.182 154 P CA 0.540 63.579 63.100 -0.102 0.000 0.761 154 P CB 0.167 31.872 31.700 0.008 0.000 0.795 155 Y N 1.048 121.338 120.300 -0.016 0.000 2.902 155 Y HA -0.323 4.227 4.550 0.000 0.000 0.486 155 Y C 1.508 177.398 175.900 -0.015 0.000 1.163 155 Y CA 1.746 59.837 58.100 -0.014 0.000 2.765 155 Y CB -2.036 36.414 38.460 -0.017 0.000 0.870 155 Y HN 0.448 nan 8.280 nan 0.000 0.536 156 I N -2.801 117.842 120.570 0.122 0.000 4.139 156 I HA 0.484 4.654 4.170 0.000 0.000 0.335 156 I C 2.050 178.175 176.117 0.013 0.000 1.327 156 I CA 0.689 62.020 61.300 0.053 0.000 1.112 156 I CB -0.157 37.859 38.000 0.027 0.000 1.058 156 I HN 0.200 nan 8.210 nan 0.000 0.396 157 G N 2.176 110.976 108.800 0.000 0.000 2.553 157 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 157 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 157 G C 1.459 176.336 174.900 -0.039 0.000 1.195 157 G CA 2.061 47.145 45.100 -0.025 0.000 0.779 157 G HN 0.380 nan 8.290 nan 0.000 0.577 158 T N 1.263 115.800 114.554 -0.028 0.000 2.720 158 T HA -0.152 4.198 4.350 0.000 0.000 0.268 158 T C 2.319 177.012 174.700 -0.011 0.000 1.037 158 T CA 1.364 63.449 62.100 -0.026 0.000 1.144 158 T CB -0.286 68.592 68.868 0.016 0.000 0.864 158 T HN 0.295 nan 8.240 nan 0.000 0.444 159 N N 1.163 119.875 118.700 0.020 0.000 2.142 159 N HA 0.022 4.762 4.740 0.000 0.000 0.186 159 N C 1.950 177.494 175.510 0.057 0.000 1.023 159 N CA 0.847 53.924 53.050 0.046 0.000 0.852 159 N CB -0.389 38.117 38.487 0.032 0.000 0.998 159 N HN 0.353 nan 8.380 nan 0.000 0.424 160 L N 0.845 122.083 121.223 0.026 0.000 2.046 160 L HA -0.117 4.223 4.340 0.000 0.000 0.208 160 L C 2.334 179.247 176.870 0.072 0.000 1.077 160 L CA 0.786 55.678 54.840 0.086 0.000 0.747 160 L CB -0.419 41.661 42.059 0.035 0.000 0.896 160 L HN -0.042 nan 8.230 nan 0.000 0.432 161 V N -0.038 119.798 119.914 -0.129 0.000 2.295 161 V HA -0.273 3.847 4.120 0.000 0.000 0.246 161 V C 2.295 178.060 176.094 -0.549 0.000 1.049 161 V CA 1.889 63.916 62.300 -0.456 0.000 1.024 161 V CB -0.556 30.859 31.823 -0.680 0.000 0.648 161 V HN 0.489 nan 8.190 nan 0.000 0.447 162 E N -1.190 118.859 120.200 -0.253 0.000 2.204 162 E HA -0.259 4.091 4.350 0.000 0.000 0.194 162 E C 1.919 178.559 176.600 0.066 0.000 0.989 162 E CA 1.410 57.787 56.400 -0.039 0.000 0.824 162 E CB -0.218 29.511 29.700 0.048 0.000 0.756 162 E HN 0.790 nan 8.360 nan 0.000 0.477 163 W N 1.568 122.826 121.300 -0.069 0.000 2.379 163 W HA -0.118 4.542 4.660 0.000 0.000 0.307 163 W C 1.767 178.317 176.519 0.051 0.000 1.200 163 W CA 0.881 58.221 57.345 -0.009 0.000 1.297 163 W CB -0.076 29.380 29.460 -0.007 0.000 1.140 163 W HN -0.090 nan 8.180 nan 0.000 0.507 164 I N -0.296 120.265 120.570 -0.015 0.000 2.226 164 I HA -0.285 3.885 4.170 0.000 0.000 0.245 164 I C 2.020 178.191 176.117 0.091 0.000 1.100 164 I CA 1.459 62.720 61.300 -0.066 0.000 1.374 164 I CB -1.743 36.316 38.000 0.099 0.000 1.057 164 I HN 0.139 nan 8.210 nan 0.000 0.413 165 W N 0.867 122.154 121.300 -0.023 0.000 2.402 165 W HA 0.063 4.723 4.660 0.000 0.000 0.286 165 W C 1.825 178.260 176.519 -0.141 0.000 1.221 165 W CA 1.435 58.730 57.345 -0.083 0.000 1.257 165 W CB -1.096 28.327 29.460 -0.061 0.000 1.120 165 W HN 0.422 nan 8.180 nan 0.000 0.551 166 G N 0.151 108.992 108.800 0.067 0.000 2.149 166 G HA2 0.117 4.077 3.960 0.000 0.000 0.235 166 G HA3 0.117 4.077 3.960 0.000 0.000 0.235 166 G C 0.369 175.230 174.900 -0.065 0.000 1.018 166 G CA 0.316 45.386 45.100 -0.051 0.000 0.728 166 G HN 0.755 nan 8.290 nan 0.000 0.508 167 G N -2.245 106.518 108.800 -0.062 0.000 2.325 167 G HA2 0.537 4.497 3.960 0.000 0.000 0.295 167 G HA3 0.537 4.497 3.960 0.000 0.000 0.295 167 G C -0.075 174.699 174.900 -0.210 0.000 1.274 167 G CA 0.040 44.990 45.100 -0.251 0.000 0.857 167 G HN 0.448 nan 8.290 nan 0.000 0.499 168 F N 1.713 121.804 119.950 0.234 0.000 2.797 168 F HA 0.449 4.976 4.527 0.000 0.000 0.302 168 F C 1.489 177.486 175.800 0.328 0.000 1.130 168 F CA 0.327 58.501 58.000 0.291 0.000 1.387 168 F CB 0.257 39.364 39.000 0.178 0.000 1.107 168 F HN 0.616 nan 8.300 nan 0.000 0.577 169 S N -2.339 113.484 115.700 0.204 0.000 2.611 169 S HA 0.509 4.979 4.470 0.000 0.000 0.268 169 S C -1.011 173.135 174.600 -0.757 0.000 1.156 169 S CA -1.187 56.780 58.200 -0.388 0.000 0.817 169 S CB 1.085 64.209 63.200 -0.128 0.000 1.122 169 S HN -0.262 nan 8.310 nan 0.000 0.466 170 V N 2.268 121.417 119.914 -1.275 0.000 2.529 170 V HA 0.419 4.539 4.120 0.000 0.000 0.292 170 V C 0.112 176.036 176.094 -0.284 0.000 1.028 170 V CA 0.979 62.672 62.300 -1.011 0.000 1.074 170 V CB 0.465 31.502 31.823 -1.310 0.000 0.958 170 V HN 0.951 nan 8.190 nan 0.000 0.481 171 D N 2.569 122.898 120.400 -0.118 0.000 3.103 171 D HA 0.260 4.900 4.640 0.000 0.000 0.337 171 D C 0.948 177.196 176.300 -0.087 0.000 1.356 171 D CA -0.685 53.341 54.000 0.044 0.000 0.951 171 D CB 1.132 41.928 40.800 -0.007 0.000 1.438 171 D HN 0.245 nan 8.370 nan 0.000 0.562 172 K N 0.054 120.381 120.400 -0.121 0.000 2.034 172 K HA -0.185 4.135 4.320 0.000 0.000 0.214 172 K C 1.830 178.298 176.600 -0.221 0.000 1.051 172 K CA 1.939 58.094 56.287 -0.220 0.000 0.931 172 K CB -0.335 32.073 32.500 -0.152 0.000 0.715 172 K HN 0.353 nan 8.250 nan 0.000 0.446 173 A N 1.008 123.735 122.820 -0.155 0.000 1.978 173 A HA -0.184 4.136 4.320 0.000 0.000 0.220 173 A C 2.226 179.704 177.584 -0.177 0.000 1.170 173 A CA 2.208 54.159 52.037 -0.143 0.000 0.636 173 A CB -0.925 18.014 19.000 -0.102 0.000 0.810 173 A HN 0.351 nan 8.150 nan 0.000 0.448 174 T N -0.071 114.353 114.554 -0.217 0.000 2.701 174 T HA -0.113 4.237 4.350 0.000 0.000 0.263 174 T C 1.835 176.263 174.700 -0.454 0.000 1.040 174 T CA 1.413 63.312 62.100 -0.335 0.000 1.147 174 T CB -0.394 68.230 68.868 -0.406 0.000 0.865 174 T HN 0.296 nan 8.240 nan 0.000 0.426 175 L N 1.312 122.270 121.223 -0.441 0.000 2.046 175 L HA -0.076 4.264 4.340 0.000 0.000 0.208 175 L C 2.478 179.252 176.870 -0.160 0.000 1.077 175 L CA 1.867 56.467 54.840 -0.399 0.000 0.747 175 L CB -1.302 40.292 42.059 -0.775 0.000 0.896 175 L HN 0.212 nan 8.230 nan 0.000 0.432 176 T N 0.396 114.844 114.554 -0.177 0.000 2.746 176 T HA -0.193 4.157 4.350 0.000 0.000 0.267 176 T C 1.808 176.470 174.700 -0.065 0.000 1.039 176 T CA 1.681 63.741 62.100 -0.067 0.000 1.142 176 T CB -0.290 68.515 68.868 -0.105 0.000 0.866 176 T HN 0.545 nan 8.240 nan 0.000 0.444 177 R N -0.011 120.380 120.500 -0.181 0.000 2.153 177 R HA 0.062 4.402 4.340 0.000 0.000 0.218 177 R C 1.809 177.786 176.300 -0.539 0.000 1.072 177 R CA 0.990 56.815 56.100 -0.458 0.000 0.990 177 R CB -0.704 29.283 30.300 -0.521 0.000 0.889 177 R HN 0.234 nan 8.270 nan 0.000 0.452 178 F N 0.849 120.599 119.950 -0.335 0.000 2.234 178 F HA -0.038 4.489 4.527 0.000 0.000 0.299 178 F C 2.030 177.872 175.800 0.071 0.000 1.087 178 F CA 0.095 58.036 58.000 -0.098 0.000 1.340 178 F CB -0.653 38.336 39.000 -0.019 0.000 1.031 178 F HN -0.039 nan 8.300 nan 0.000 0.500 179 F N 0.860 120.881 119.950 0.118 0.000 2.102 179 F HA -0.084 4.443 4.527 0.000 0.000 0.298 179 F C 2.297 178.212 175.800 0.192 0.000 1.105 179 F CA 1.192 59.295 58.000 0.171 0.000 1.239 179 F CB -1.025 38.102 39.000 0.212 0.000 0.991 179 F HN -0.087 nan 8.300 nan 0.000 0.474 180 A N 0.167 122.929 122.820 -0.096 0.000 1.902 180 A HA -0.167 4.153 4.320 0.000 0.000 0.217 180 A C 2.129 179.741 177.584 0.047 0.000 1.181 180 A CA 1.769 53.680 52.037 -0.209 0.000 0.623 180 A CB -1.428 17.420 19.000 -0.254 0.000 0.818 180 A HN 0.375 nan 8.150 nan 0.000 0.443 181 F N -0.664 119.321 119.950 0.059 0.000 2.146 181 F HA -0.064 4.464 4.527 0.000 0.000 0.298 181 F C 2.236 178.082 175.800 0.077 0.000 1.096 181 F CA 1.238 59.260 58.000 0.036 0.000 1.275 181 F CB -1.453 37.526 39.000 -0.035 0.000 1.008 181 F HN 0.501 nan 8.300 nan 0.000 0.480 182 H N -0.941 118.254 119.070 0.208 0.000 2.421 182 H HA -0.182 4.374 4.556 0.000 0.000 0.298 182 H C 2.086 177.511 175.328 0.162 0.000 1.087 182 H CA 1.496 57.629 56.048 0.142 0.000 1.330 182 H CB -0.449 29.398 29.762 0.142 0.000 1.388 182 H HN 0.105 nan 8.280 nan 0.000 0.526 183 F N -0.231 119.705 119.950 -0.023 0.000 2.084 183 F HA -0.088 4.439 4.527 0.000 0.000 0.296 183 F C 2.262 178.118 175.800 0.093 0.000 1.111 183 F CA 1.213 59.174 58.000 -0.066 0.000 1.224 183 F CB -0.604 38.236 39.000 -0.267 0.000 0.991 183 F HN 0.274 nan 8.300 nan 0.000 0.471 184 I N -0.571 120.263 120.570 0.440 0.000 2.406 184 I HA -0.129 4.041 4.170 0.000 0.000 0.249 184 I C 2.116 178.402 176.117 0.282 0.000 1.122 184 I CA 0.849 62.388 61.300 0.398 0.000 1.431 184 I CB -0.805 37.318 38.000 0.204 0.000 1.087 184 I HN 0.135 nan 8.210 nan 0.000 0.424 185 L N 1.762 123.069 121.223 0.140 0.000 2.051 185 L HA -0.161 4.179 4.340 0.000 0.000 0.214 185 L C -0.570 176.286 176.870 -0.022 0.000 1.076 185 L CA 2.434 57.301 54.840 0.045 0.000 0.758 185 L CB -1.978 40.086 42.059 0.009 0.000 0.890 185 L HN 0.165 nan 8.230 nan 0.000 0.433 186 P HA -0.159 nan 4.420 nan 0.000 0.218 186 P C 1.442 178.551 177.300 -0.318 0.000 1.148 186 P CA 1.477 64.404 63.100 -0.289 0.000 0.822 186 P CB -0.110 31.303 31.700 -0.479 0.000 0.784 187 F N -1.596 118.349 119.950 -0.008 0.000 2.367 187 F HA 0.013 4.540 4.527 0.000 0.000 0.298 187 F C 2.179 177.983 175.800 0.006 0.000 1.094 187 F CA 0.796 58.801 58.000 0.009 0.000 1.409 187 F CB -0.900 38.120 39.000 0.032 0.000 1.064 187 F HN -0.159 nan 8.300 nan 0.000 0.528 188 I N -0.334 120.322 120.570 0.144 0.000 2.353 188 I HA -0.252 3.918 4.170 0.000 0.000 0.248 188 I C 2.232 178.369 176.117 0.033 0.000 1.119 188 I CA 1.131 62.480 61.300 0.081 0.000 1.417 188 I CB -0.345 37.688 38.000 0.056 0.000 1.078 188 I HN 0.066 nan 8.210 nan 0.000 0.421 189 I N 0.232 120.798 120.570 -0.006 0.000 2.226 189 I HA -0.353 3.817 4.170 0.000 0.000 0.245 189 I C 2.657 178.765 176.117 -0.015 0.000 1.100 189 I CA 1.561 62.841 61.300 -0.033 0.000 1.374 189 I CB -0.219 37.738 38.000 -0.071 0.000 1.057 189 I HN 0.300 nan 8.210 nan 0.000 0.413 190 M N 0.575 120.168 119.600 -0.012 0.000 2.117 190 M HA -0.223 4.257 4.480 0.000 0.000 0.262 190 M C 2.396 178.714 176.300 0.030 0.000 1.065 190 M CA 2.195 57.497 55.300 0.004 0.000 1.114 190 M CB -0.107 32.501 32.600 0.013 0.000 1.361 190 M HN 0.268 nan 8.290 nan 0.000 0.408 191 A N 0.668 123.517 122.820 0.048 0.000 1.877 191 A HA -0.147 4.173 4.320 0.000 0.000 0.216 191 A C 1.967 179.578 177.584 0.044 0.000 1.186 191 A CA 1.799 53.865 52.037 0.048 0.000 0.620 191 A CB -1.071 17.963 19.000 0.055 0.000 0.822 191 A HN 0.616 nan 8.150 nan 0.000 0.443 192 I N -0.097 120.496 120.570 0.039 0.000 2.264 192 I HA -0.299 3.871 4.170 0.000 0.000 0.248 192 I C 2.889 179.042 176.117 0.061 0.000 1.111 192 I CA 1.029 62.356 61.300 0.044 0.000 1.382 192 I CB -0.319 37.689 38.000 0.013 0.000 1.060 192 I HN 0.370 nan 8.210 nan 0.000 0.418 193 A N 0.544 123.388 122.820 0.039 0.000 1.969 193 A HA -0.176 4.144 4.320 0.000 0.000 0.218 193 A C 2.342 179.987 177.584 0.102 0.000 1.169 193 A CA 1.407 53.483 52.037 0.065 0.000 0.635 193 A CB -0.491 18.525 19.000 0.027 0.000 0.810 193 A HN 0.351 nan 8.150 nan 0.000 0.445 194 M N -0.833 118.798 119.600 0.052 0.000 2.229 194 M HA -0.088 4.392 4.480 0.000 0.000 0.264 194 M C 1.933 178.241 176.300 0.014 0.000 1.063 194 M CA 0.991 56.299 55.300 0.013 0.000 1.114 194 M CB -0.227 32.373 32.600 -0.001 0.000 1.387 194 M HN 0.248 nan 8.290 nan 0.000 0.420 195 V N -0.791 119.168 119.914 0.076 0.000 2.453 195 V HA -0.243 3.877 4.120 0.000 0.000 0.247 195 V C 2.218 178.461 176.094 0.248 0.000 1.048 195 V CA 1.939 64.311 62.300 0.121 0.000 1.049 195 V CB -0.916 31.015 31.823 0.180 0.000 0.672 195 V HN 0.451 nan 8.190 nan 0.000 0.457 196 H N 0.395 119.539 119.070 0.125 0.000 2.319 196 H HA -0.168 4.388 4.556 0.000 0.000 0.297 196 H C 1.993 177.379 175.328 0.097 0.000 1.097 196 H CA 2.077 58.207 56.048 0.137 0.000 1.285 196 H CB -0.241 29.572 29.762 0.086 0.000 1.368 196 H HN 0.332 nan 8.280 nan 0.000 0.495 197 L N -0.518 120.704 121.223 -0.002 0.000 2.156 197 L HA -0.088 4.252 4.340 0.000 0.000 0.208 197 L C 2.439 179.063 176.870 -0.410 0.000 1.095 197 L CA 0.521 55.215 54.840 -0.242 0.000 0.770 197 L CB -0.184 41.717 42.059 -0.263 0.000 0.914 197 L HN 0.306 nan 8.230 nan 0.000 0.439 198 L N -1.657 119.404 121.223 -0.271 0.000 2.093 198 L HA -0.195 4.146 4.340 0.000 0.000 0.208 198 L C 2.401 179.115 176.870 -0.259 0.000 1.085 198 L CA 1.199 55.853 54.840 -0.311 0.000 0.755 198 L CB -0.395 41.490 42.059 -0.290 0.000 0.904 198 L HN 0.160 nan 8.230 nan 0.000 0.435 199 F N -0.425 119.463 119.950 -0.103 0.000 2.206 199 F HA -0.187 4.340 4.527 0.000 0.000 0.298 199 F C 2.221 177.940 175.800 -0.135 0.000 1.090 199 F CA 1.035 58.990 58.000 -0.075 0.000 1.323 199 F CB -0.349 38.638 39.000 -0.020 0.000 1.028 199 F HN -0.041 nan 8.300 nan 0.000 0.492 200 L N -0.491 120.724 121.223 -0.012 0.000 2.093 200 L HA -0.200 4.140 4.340 0.000 0.000 0.208 200 L C 2.277 179.123 176.870 -0.040 0.000 1.085 200 L CA 2.000 56.763 54.840 -0.127 0.000 0.755 200 L CB -0.896 41.097 42.059 -0.111 0.000 0.904 200 L HN 0.224 nan 8.230 nan 0.000 0.435 201 H N -1.181 117.812 119.070 -0.129 0.000 2.489 201 H HA -0.083 4.474 4.556 0.000 0.000 0.293 201 H C 1.598 176.859 175.328 -0.111 0.000 1.066 201 H CA 0.621 56.601 56.048 -0.113 0.000 1.305 201 H CB 0.402 30.104 29.762 -0.099 0.000 1.386 201 H HN 0.391 nan 8.280 nan 0.000 0.551 202 E N 0.044 120.248 120.200 0.007 0.000 2.204 202 E HA -0.098 4.252 4.350 0.000 0.000 0.194 202 E C 2.257 178.826 176.600 -0.052 0.000 0.989 202 E CA 1.547 57.934 56.400 -0.022 0.000 0.824 202 E CB -0.037 29.657 29.700 -0.010 0.000 0.756 202 E HN 0.640 nan 8.360 nan 0.000 0.477 203 T N -3.492 110.975 114.554 -0.144 0.000 3.018 203 T HA 0.413 4.763 4.350 0.000 0.000 0.246 203 T C 1.048 175.662 174.700 -0.143 0.000 1.026 203 T CA 0.492 62.481 62.100 -0.185 0.000 1.081 203 T CB 0.699 69.284 68.868 -0.472 0.000 0.970 203 T HN 0.272 nan 8.240 nan 0.000 0.475 204 G N 0.976 109.676 108.800 -0.167 0.000 2.712 204 G HA2 0.004 3.964 3.960 0.000 0.000 0.683 204 G HA3 0.004 3.964 3.960 0.000 0.000 0.683 204 G C -0.468 174.422 174.900 -0.017 0.000 1.320 204 G CA -0.497 44.567 45.100 -0.060 0.000 0.847 204 G HN 0.602 nan 8.290 nan 0.000 0.553 205 S N 0.004 115.771 115.700 0.111 0.000 2.592 205 S HA 0.492 4.962 4.470 0.000 0.000 0.271 205 S C 0.829 175.656 174.600 0.379 0.000 1.326 205 S CA 0.001 58.377 58.200 0.294 0.000 1.024 205 S CB 1.311 64.664 63.200 0.255 0.000 0.921 205 S HN 0.956 nan 8.310 nan 0.000 0.527 206 N N 1.160 120.200 118.700 0.567 0.000 2.364 206 N HA 0.357 5.097 4.740 0.000 0.000 0.264 206 N C -0.537 175.094 175.510 0.202 0.000 1.263 206 N CA -0.459 52.807 53.050 0.360 0.000 0.959 206 N CB 0.410 39.044 38.487 0.244 0.000 1.204 206 N HN 0.840 nan 8.380 nan 0.000 0.550 207 N N -2.116 116.598 118.700 0.024 0.000 2.732 207 N HA 0.491 5.231 4.740 0.000 0.000 0.259 207 N C -2.630 172.720 175.510 -0.267 0.000 1.402 207 N CA -1.219 51.589 53.050 -0.404 0.000 0.829 207 N CB 1.707 39.996 38.487 -0.329 0.000 1.495 207 N HN 0.152 nan 8.380 nan 0.000 0.511 208 P HA -0.225 nan 4.420 nan 0.000 0.217 208 P C 0.966 178.277 177.300 0.019 0.000 1.151 208 P CA 2.292 65.238 63.100 -0.256 0.000 0.849 208 P CB -0.066 31.512 31.700 -0.202 0.000 0.787 209 T N -5.712 108.818 114.554 -0.040 0.000 3.055 209 T HA 0.176 4.526 4.350 0.000 0.000 0.265 209 T C 1.736 176.470 174.700 0.057 0.000 1.111 209 T CA 0.889 62.975 62.100 -0.024 0.000 1.118 209 T CB -1.011 67.951 68.868 0.157 0.000 0.909 209 T HN 0.253 nan 8.240 nan 0.000 0.501 210 G N 1.343 110.177 108.800 0.056 0.000 2.212 210 G HA2 -0.234 3.727 3.960 0.000 0.000 0.266 210 G HA3 -0.234 3.727 3.960 0.000 0.000 0.266 210 G C 0.083 175.017 174.900 0.055 0.000 0.978 210 G CA 0.247 45.376 45.100 0.048 0.000 0.632 210 G HN 0.676 nan 8.290 nan 0.000 0.537 211 I N 1.620 122.246 120.570 0.093 0.000 2.472 211 I HA 0.394 4.564 4.170 0.000 0.000 0.290 211 I C 1.330 177.480 176.117 0.056 0.000 1.016 211 I CA -0.207 61.147 61.300 0.090 0.000 1.348 211 I CB 1.546 39.618 38.000 0.121 0.000 1.417 211 I HN 0.174 nan 8.210 nan 0.000 0.521 212 S N 3.256 118.987 115.700 0.052 0.000 2.558 212 S HA -0.031 4.439 4.470 0.000 0.000 0.293 212 S C 0.973 175.596 174.600 0.038 0.000 1.292 212 S CA -0.033 58.197 58.200 0.050 0.000 1.063 212 S CB 0.358 63.587 63.200 0.049 0.000 0.831 212 S HN 0.756 nan 8.310 nan 0.000 0.499 213 S N 2.465 118.184 115.700 0.032 0.000 2.575 213 S HA 0.209 4.679 4.470 0.000 0.000 0.237 213 S C 0.553 175.162 174.600 0.016 0.000 0.975 213 S CA -0.415 57.793 58.200 0.014 0.000 0.960 213 S CB 0.146 63.340 63.200 -0.010 0.000 0.822 213 S HN 0.712 nan 8.310 nan 0.000 0.472 214 D N 2.515 122.930 120.400 0.025 0.000 2.221 214 D HA -0.092 4.548 4.640 0.000 0.000 0.204 214 D C 2.020 178.330 176.300 0.016 0.000 0.982 214 D CA 1.378 55.392 54.000 0.023 0.000 0.857 214 D CB -0.212 40.603 40.800 0.026 0.000 0.934 214 D HN 0.575 nan 8.370 nan 0.000 0.475 215 V N -1.903 118.019 119.914 0.014 0.000 3.573 215 V HA 0.066 4.186 4.120 0.000 0.000 0.270 215 V C 0.267 176.363 176.094 0.002 0.000 1.221 215 V CA 0.595 62.901 62.300 0.009 0.000 1.163 215 V CB -0.040 31.790 31.823 0.010 0.000 0.847 215 V HN -0.146 nan 8.190 nan 0.000 0.468 216 D N 0.474 120.873 120.400 -0.001 0.000 2.978 216 D HA 0.258 4.898 4.640 0.000 0.000 0.268 216 D C -0.361 175.931 176.300 -0.015 0.000 1.252 216 D CA -0.243 53.749 54.000 -0.014 0.000 0.771 216 D CB 0.434 41.221 40.800 -0.022 0.000 1.361 216 D HN 0.179 nan 8.370 nan 0.000 0.558 217 K N 0.959 121.360 120.400 0.000 0.000 2.118 217 K HA 0.645 4.965 4.320 0.000 0.000 0.254 217 K C 0.410 177.022 176.600 0.019 0.000 0.961 217 K CA -0.727 55.570 56.287 0.018 0.000 0.876 217 K CB 1.908 34.427 32.500 0.033 0.000 1.077 217 K HN 0.479 nan 8.250 nan 0.000 0.440 218 I N -1.645 118.954 120.570 0.048 0.000 2.934 218 I HA 0.538 4.708 4.170 0.000 0.000 0.306 218 I C -2.605 173.615 176.117 0.173 0.000 1.110 218 I CA -2.818 58.517 61.300 0.058 0.000 1.019 218 I CB 2.504 40.433 38.000 -0.118 0.000 1.227 218 I HN 0.258 nan 8.210 nan 0.000 0.434 219 P HA 0.021 nan 4.420 nan 0.000 0.271 219 P C 0.268 177.748 177.300 0.300 0.000 1.216 219 P CA 0.064 63.303 63.100 0.232 0.000 0.776 219 P CB 0.897 32.698 31.700 0.168 0.000 0.881 220 F N 2.665 122.741 119.950 0.209 0.000 2.126 220 F HA -0.166 4.362 4.527 0.000 0.000 0.299 220 F C 1.328 177.258 175.800 0.217 0.000 1.096 220 F CA 1.587 59.753 58.000 0.278 0.000 1.255 220 F CB -0.463 38.654 39.000 0.194 0.000 0.997 220 F HN 0.416 nan 8.300 nan 0.000 0.479 221 H N 1.156 120.337 119.070 0.186 0.000 2.467 221 H HA 0.277 4.833 4.556 0.000 0.000 0.326 221 H C -1.840 173.408 175.328 -0.133 0.000 1.094 221 H CA -2.561 53.495 56.048 0.012 0.000 1.253 221 H CB 1.460 31.273 29.762 0.086 0.000 1.439 221 H HN -0.122 nan 8.280 nan 0.000 0.479 222 P HA -0.070 nan 4.420 nan 0.000 0.252 222 P C 0.606 177.508 177.300 -0.663 0.000 1.218 222 P CA 0.493 62.983 63.100 -1.017 0.000 0.807 222 P CB 0.392 31.495 31.700 -0.995 0.000 1.072 223 Y N 0.252 120.284 120.300 -0.447 0.000 2.040 223 Y HA -0.226 4.324 4.550 0.000 0.000 0.275 223 Y C 2.288 177.726 175.900 -0.770 0.000 1.171 223 Y CA 1.829 59.560 58.100 -0.614 0.000 1.123 223 Y CB -1.879 36.127 38.460 -0.755 0.000 0.963 223 Y HN -0.044 nan 8.280 nan 0.000 0.493 224 Y N -0.837 119.226 120.300 -0.395 0.000 2.500 224 Y HA -0.020 4.530 4.550 0.000 0.000 0.270 224 Y C 2.489 178.061 175.900 -0.548 0.000 1.134 224 Y CA 0.781 58.517 58.100 -0.607 0.000 1.293 224 Y CB -0.965 36.888 38.460 -1.011 0.000 1.063 224 Y HN 0.234 nan 8.280 nan 0.000 0.534 225 T N -1.941 112.416 114.554 -0.327 0.000 2.812 225 T HA -0.169 4.181 4.350 0.000 0.000 0.264 225 T C 1.922 176.622 174.700 0.000 0.000 1.042 225 T CA 1.215 63.330 62.100 0.025 0.000 1.140 225 T CB -0.563 68.464 68.868 0.265 0.000 0.870 225 T HN 0.196 nan 8.240 nan 0.000 0.445 226 I N 1.230 121.748 120.570 -0.086 0.000 2.353 226 I HA 0.075 4.245 4.170 0.000 0.000 0.248 226 I C 2.340 178.425 176.117 -0.054 0.000 1.119 226 I CA 1.093 62.350 61.300 -0.072 0.000 1.417 226 I CB -0.344 37.583 38.000 -0.122 0.000 1.078 226 I HN 0.109 nan 8.210 nan 0.000 0.421 227 K N 0.115 120.477 120.400 -0.062 0.000 2.057 227 K HA -0.169 4.151 4.320 0.000 0.000 0.206 227 K C 1.719 178.325 176.600 0.010 0.000 1.050 227 K CA 1.604 57.883 56.287 -0.015 0.000 0.935 227 K CB -0.207 32.319 32.500 0.044 0.000 0.715 227 K HN 0.291 nan 8.250 nan 0.000 0.439 228 D N 0.893 121.316 120.400 0.039 0.000 2.144 228 D HA -0.114 4.526 4.640 0.000 0.000 0.199 228 D C 1.763 178.076 176.300 0.021 0.000 0.984 228 D CA 0.927 54.961 54.000 0.058 0.000 0.834 228 D CB -0.067 40.818 40.800 0.143 0.000 0.955 228 D HN 0.160 nan 8.370 nan 0.000 0.465 229 I N 0.077 120.657 120.570 0.017 0.000 2.252 229 I HA -0.212 3.958 4.170 0.000 0.000 0.245 229 I C 2.205 178.312 176.117 -0.016 0.000 1.102 229 I CA 0.394 61.696 61.300 0.003 0.000 1.385 229 I CB -0.054 37.949 38.000 0.005 0.000 1.064 229 I HN 0.033 nan 8.210 nan 0.000 0.414 230 L N 1.139 122.348 121.223 -0.023 0.000 2.046 230 L HA -0.080 4.261 4.340 0.000 0.000 0.208 230 L C 2.323 179.166 176.870 -0.045 0.000 1.077 230 L CA 2.211 57.032 54.840 -0.032 0.000 0.747 230 L CB -1.297 40.740 42.059 -0.035 0.000 0.896 230 L HN 0.186 nan 8.230 nan 0.000 0.432 231 G N -1.072 107.693 108.800 -0.057 0.000 2.418 231 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 231 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 231 G C 1.619 176.470 174.900 -0.082 0.000 1.158 231 G CA 0.873 45.914 45.100 -0.097 0.000 0.771 231 G HN 0.647 nan 8.290 nan 0.000 0.545 232 A N 0.567 123.354 122.820 -0.056 0.000 1.908 232 A HA 0.045 4.365 4.320 0.000 0.000 0.218 232 A C 2.446 180.007 177.584 -0.038 0.000 1.181 232 A CA 1.347 53.356 52.037 -0.047 0.000 0.627 232 A CB -0.428 18.553 19.000 -0.031 0.000 0.818 232 A HN 0.365 nan 8.150 nan 0.000 0.445 233 L N -0.824 120.380 121.223 -0.031 0.000 2.046 233 L HA -0.181 4.159 4.340 0.000 0.000 0.208 233 L C 2.574 179.433 176.870 -0.018 0.000 1.077 233 L CA 1.127 55.953 54.840 -0.022 0.000 0.747 233 L CB -0.487 41.561 42.059 -0.019 0.000 0.896 233 L HN 0.396 nan 8.230 nan 0.000 0.432 234 L N -0.855 120.351 121.223 -0.027 0.000 2.093 234 L HA -0.229 4.111 4.340 0.000 0.000 0.208 234 L C 2.533 179.398 176.870 -0.008 0.000 1.085 234 L CA 0.673 55.501 54.840 -0.019 0.000 0.755 234 L CB -0.415 41.622 42.059 -0.036 0.000 0.904 234 L HN 0.253 nan 8.230 nan 0.000 0.435 235 L N 0.203 121.413 121.223 -0.023 0.000 2.017 235 L HA -0.200 4.140 4.340 0.000 0.000 0.208 235 L C 2.324 179.197 176.870 0.005 0.000 1.073 235 L CA 1.781 56.617 54.840 -0.007 0.000 0.745 235 L CB -0.326 41.713 42.059 -0.033 0.000 0.894 235 L HN 0.082 nan 8.230 nan 0.000 0.432 236 I N -0.994 119.572 120.570 -0.007 0.000 2.286 236 I HA -0.268 3.902 4.170 0.000 0.000 0.248 236 I C 2.337 178.463 176.117 0.015 0.000 1.115 236 I CA 1.059 62.358 61.300 -0.002 0.000 1.392 236 I CB -0.338 37.653 38.000 -0.015 0.000 1.065 236 I HN 0.369 nan 8.210 nan 0.000 0.418 237 L N 1.215 122.450 121.223 0.020 0.000 2.017 237 L HA -0.137 4.203 4.340 0.000 0.000 0.208 237 L C 2.557 179.461 176.870 0.057 0.000 1.073 237 L CA 2.194 57.056 54.840 0.038 0.000 0.745 237 L CB -0.775 41.305 42.059 0.035 0.000 0.894 237 L HN 0.165 nan 8.230 nan 0.000 0.432 238 A N -0.654 122.198 122.820 0.054 0.000 1.902 238 A HA -0.179 4.141 4.320 0.000 0.000 0.217 238 A C 2.245 179.877 177.584 0.080 0.000 1.181 238 A CA 1.863 53.942 52.037 0.071 0.000 0.623 238 A CB -1.005 18.039 19.000 0.072 0.000 0.818 238 A HN 0.519 nan 8.150 nan 0.000 0.443 239 L N -1.055 120.208 121.223 0.068 0.000 2.027 239 L HA -0.108 4.232 4.340 0.000 0.000 0.206 239 L C 2.157 179.071 176.870 0.073 0.000 1.074 239 L CA 2.010 56.895 54.840 0.074 0.000 0.745 239 L CB -0.429 41.661 42.059 0.052 0.000 0.898 239 L HN 0.273 nan 8.230 nan 0.000 0.433 240 M N -1.062 118.568 119.600 0.050 0.000 2.394 240 M HA -0.053 4.427 4.480 0.000 0.000 0.264 240 M C 2.235 178.552 176.300 0.028 0.000 1.073 240 M CA 1.193 56.510 55.300 0.027 0.000 1.111 240 M CB -1.133 31.468 32.600 0.001 0.000 1.401 240 M HN 0.296 nan 8.290 nan 0.000 0.448 241 L N -0.656 120.626 121.223 0.098 0.000 2.093 241 L HA -0.171 4.169 4.340 0.000 0.000 0.208 241 L C 2.315 179.293 176.870 0.181 0.000 1.085 241 L CA 0.829 55.794 54.840 0.208 0.000 0.755 241 L CB -0.441 41.743 42.059 0.208 0.000 0.904 241 L HN 0.242 nan 8.230 nan 0.000 0.435 242 L N -1.263 120.037 121.223 0.128 0.000 2.005 242 L HA -0.172 4.168 4.340 0.000 0.000 0.207 242 L C 2.492 179.427 176.870 0.108 0.000 1.072 242 L CA 0.853 55.768 54.840 0.125 0.000 0.744 242 L CB -0.476 41.660 42.059 0.129 0.000 0.895 242 L HN 0.022 nan 8.230 nan 0.000 0.433 243 V N 0.164 120.140 119.914 0.103 0.000 2.343 243 V HA -0.268 3.852 4.120 0.000 0.000 0.247 243 V C 2.180 178.311 176.094 0.060 0.000 1.051 243 V CA 1.666 64.039 62.300 0.122 0.000 1.036 243 V CB -0.343 31.566 31.823 0.143 0.000 0.654 243 V HN 0.367 nan 8.190 nan 0.000 0.451 244 L N -2.385 118.795 121.223 -0.072 0.000 2.416 244 L HA 0.153 4.493 4.340 0.000 0.000 0.216 244 L C 1.819 178.439 176.870 -0.417 0.000 1.098 244 L CA 0.738 55.412 54.840 -0.277 0.000 0.840 244 L CB -0.109 41.642 42.059 -0.513 0.000 0.981 244 L HN 0.272 nan 8.230 nan 0.000 0.462 245 F N -0.425 119.547 119.950 0.036 0.000 2.752 245 F HA 0.400 4.927 4.527 0.000 0.000 0.310 245 F C 1.007 176.804 175.800 -0.005 0.000 1.097 245 F CA -0.312 57.694 58.000 0.009 0.000 1.238 245 F CB 0.400 39.408 39.000 0.014 0.000 1.061 245 F HN -0.135 nan 8.300 nan 0.000 0.591 246 A N 0.602 123.514 122.820 0.154 0.000 3.455 246 A HA 0.379 4.699 4.320 0.000 0.000 0.225 246 A C -1.911 175.711 177.584 0.063 0.000 1.052 246 A CA -0.518 51.573 52.037 0.090 0.000 1.005 246 A CB -0.343 18.716 19.000 0.098 0.000 1.318 246 A HN -0.063 nan 8.150 nan 0.000 0.639 247 P HA -0.137 nan 4.420 nan 0.000 0.221 247 P C 0.110 177.458 177.300 0.080 0.000 1.145 247 P CA 1.321 64.410 63.100 -0.018 0.000 0.795 247 P CB 0.343 31.842 31.700 -0.336 0.000 0.775 248 D N -1.363 119.081 120.400 0.073 0.000 2.369 248 D HA 0.040 4.680 4.640 0.000 0.000 0.211 248 D C 1.828 178.219 176.300 0.151 0.000 1.077 248 D CA -0.214 53.890 54.000 0.174 0.000 0.842 248 D CB -0.283 40.618 40.800 0.169 0.000 0.947 248 D HN 0.004 nan 8.370 nan 0.000 0.509 249 L N 0.690 121.976 121.223 0.106 0.000 2.021 249 L HA -0.168 4.172 4.340 0.000 0.000 0.215 249 L C 1.650 178.570 176.870 0.084 0.000 1.074 249 L CA 1.807 56.694 54.840 0.079 0.000 0.760 249 L CB -0.353 41.739 42.059 0.056 0.000 0.889 249 L HN 0.023 nan 8.230 nan 0.000 0.433 250 L N -1.026 120.268 121.223 0.119 0.000 2.611 250 L HA 0.276 4.616 4.340 0.000 0.000 0.229 250 L C 1.071 178.078 176.870 0.228 0.000 1.137 250 L CA -0.048 54.881 54.840 0.148 0.000 0.901 250 L CB -0.725 41.444 42.059 0.183 0.000 1.098 250 L HN 0.333 nan 8.230 nan 0.000 0.456 251 G N -1.260 107.666 108.800 0.209 0.000 2.552 251 G HA2 0.261 4.221 3.960 0.000 0.000 0.318 251 G HA3 0.261 4.221 3.960 0.000 0.000 0.318 251 G C -1.492 173.532 174.900 0.207 0.000 1.240 251 G CA -0.247 44.986 45.100 0.221 0.000 1.002 251 G HN -0.087 nan 8.290 nan 0.000 0.493 252 D N -0.754 119.787 120.400 0.235 0.000 2.391 252 D HA 0.370 5.011 4.640 0.000 0.000 0.245 252 D C -1.578 174.890 176.300 0.280 0.000 1.069 252 D CA -1.735 52.400 54.000 0.225 0.000 0.831 252 D CB 2.467 43.401 40.800 0.223 0.000 1.204 252 D HN -0.090 nan 8.370 nan 0.000 0.503 253 P HA -0.071 nan 4.420 nan 0.000 0.218 253 P C 0.649 178.145 177.300 0.328 0.000 1.148 253 P CA 0.660 63.964 63.100 0.340 0.000 0.822 253 P CB 0.427 32.252 31.700 0.208 0.000 0.784 254 D N -1.272 119.268 120.400 0.233 0.000 2.263 254 D HA -0.128 4.512 4.640 0.000 0.000 0.208 254 D C 1.416 177.827 176.300 0.184 0.000 0.971 254 D CA 0.921 55.039 54.000 0.197 0.000 0.867 254 D CB -0.652 40.249 40.800 0.167 0.000 0.929 254 D HN 0.114 nan 8.370 nan 0.000 0.492 255 N N -0.658 118.135 118.700 0.156 0.000 2.461 255 N HA -0.078 4.662 4.740 0.000 0.000 0.188 255 N C 0.478 176.025 175.510 0.062 0.000 1.134 255 N CA 0.159 53.238 53.050 0.048 0.000 0.878 255 N CB -0.098 38.343 38.487 -0.077 0.000 0.972 255 N HN 0.178 nan 8.380 nan 0.000 0.456 256 Y N -0.728 119.717 120.300 0.242 0.000 2.490 256 Y HA 0.224 4.774 4.550 0.000 0.000 0.281 256 Y C 0.270 176.401 175.900 0.385 0.000 1.174 256 Y CA 0.299 58.587 58.100 0.313 0.000 1.295 256 Y CB 0.315 38.904 38.460 0.215 0.000 1.062 256 Y HN -0.172 nan 8.280 nan 0.000 0.522 257 T N 2.084 116.841 114.554 0.339 0.000 2.779 257 T HA 0.309 4.659 4.350 0.000 0.000 0.280 257 T C -2.594 172.057 174.700 -0.081 0.000 0.987 257 T CA -1.789 60.376 62.100 0.108 0.000 0.966 257 T CB 1.644 70.558 68.868 0.077 0.000 0.933 257 T HN -0.224 nan 8.240 nan 0.000 0.442 258 P HA 0.181 nan 4.420 nan 0.000 0.268 258 P C -0.590 176.515 177.300 -0.325 0.000 1.208 258 P CA -0.308 62.423 63.100 -0.615 0.000 0.777 258 P CB 0.343 31.622 31.700 -0.701 0.000 0.875 259 A N 2.590 125.186 122.820 -0.374 0.000 2.540 259 A HA 0.130 4.450 4.320 0.000 0.000 0.239 259 A C 0.456 177.711 177.584 -0.548 0.000 1.061 259 A CA 0.498 52.182 52.037 -0.587 0.000 0.758 259 A CB -0.663 17.658 19.000 -1.132 0.000 0.991 259 A HN 0.562 nan 8.150 nan 0.000 0.502 260 N N 3.163 121.555 118.700 -0.513 0.000 2.576 260 N HA 0.305 5.045 4.740 0.000 0.000 0.269 260 N C -2.150 173.100 175.510 -0.434 0.000 1.058 260 N CA -2.070 50.765 53.050 -0.358 0.000 0.860 260 N CB 1.898 40.307 38.487 -0.129 0.000 1.249 260 N HN 0.281 nan 8.380 nan 0.000 0.525 261 P HA -0.030 nan 4.420 nan 0.000 0.234 261 P C 0.712 178.037 177.300 0.041 0.000 1.167 261 P CA 0.672 63.395 63.100 -0.627 0.000 0.763 261 P CB 0.569 31.912 31.700 -0.595 0.000 0.835 262 L N -1.567 119.677 121.223 0.034 0.000 2.640 262 L HA 0.279 4.619 4.340 0.000 0.000 0.230 262 L C 0.945 177.859 176.870 0.075 0.000 1.123 262 L CA 0.034 54.918 54.840 0.074 0.000 0.900 262 L CB -0.151 41.912 42.059 0.007 0.000 1.146 262 L HN 0.024 nan 8.230 nan 0.000 0.484 263 N N -0.163 118.618 118.700 0.135 0.000 2.478 263 N HA 0.175 4.915 4.740 0.000 0.000 0.291 263 N C -1.214 174.248 175.510 -0.080 0.000 1.090 263 N CA -0.178 52.874 53.050 0.003 0.000 0.911 263 N CB 2.008 40.488 38.487 -0.011 0.000 1.546 263 N HN -0.242 nan 8.380 nan 0.000 0.500 264 T N 3.799 118.066 114.554 -0.479 0.000 2.744 264 T HA 0.350 4.700 4.350 0.000 0.000 0.291 264 T C -2.489 171.976 174.700 -0.390 0.000 0.957 264 T CA -0.899 60.674 62.100 -0.878 0.000 1.002 264 T CB 1.282 69.459 68.868 -1.151 0.000 0.919 264 T HN 0.398 nan 8.240 nan 0.000 0.468 265 P HA 0.042 nan 4.420 nan 0.000 0.263 265 P C -1.494 175.711 177.300 -0.158 0.000 1.175 265 P CA -1.054 61.985 63.100 -0.102 0.000 0.761 265 P CB 0.241 31.946 31.700 0.008 0.000 0.794 266 P HA -0.151 nan 4.420 nan 0.000 0.222 266 P C 0.205 177.195 177.300 -0.517 0.000 1.147 266 P CA 1.702 64.586 63.100 -0.360 0.000 0.790 266 P CB 0.061 31.511 31.700 -0.417 0.000 0.780 267 H N -1.429 117.643 119.070 0.004 0.000 2.567 267 H HA 0.318 4.874 4.556 0.000 0.000 0.267 267 H C 0.827 176.172 175.328 0.028 0.000 1.148 267 H CA -0.771 55.291 56.048 0.023 0.000 1.031 267 H CB -0.170 29.612 29.762 0.033 0.000 1.691 267 H HN 0.072 nan 8.280 nan 0.000 0.588 268 I N 3.127 123.734 120.570 0.062 0.000 2.996 268 I HA -0.131 4.039 4.170 0.000 0.000 0.311 268 I C -0.050 176.091 176.117 0.040 0.000 1.219 268 I CA 0.841 62.175 61.300 0.057 0.000 1.452 268 I CB 0.021 38.031 38.000 0.016 0.000 1.319 268 I HN 0.372 nan 8.210 nan 0.000 0.564 269 K N 6.475 126.871 120.400 -0.007 0.000 2.568 269 K HA 0.650 4.970 4.320 0.000 0.000 0.273 269 K C -3.051 173.433 176.600 -0.194 0.000 0.951 269 K CA -1.592 54.591 56.287 -0.174 0.000 0.854 269 K CB 1.399 33.845 32.500 -0.089 0.000 1.424 269 K HN 0.193 nan 8.250 nan 0.000 0.427 270 P HA 0.118 nan 4.420 nan 0.000 0.273 270 P C -0.998 176.144 177.300 -0.264 0.000 1.250 270 P CA -0.376 62.568 63.100 -0.260 0.000 0.793 270 P CB 0.349 31.848 31.700 -0.335 0.000 1.011 271 E N 0.599 120.542 120.200 -0.428 0.000 2.437 271 E HA -0.080 4.270 4.350 0.000 0.000 0.263 271 E C 1.180 177.308 176.600 -0.787 0.000 1.030 271 E CA 0.061 55.963 56.400 -0.830 0.000 0.934 271 E CB -0.068 28.680 29.700 -1.587 0.000 0.943 271 E HN 0.563 nan 8.360 nan 0.000 0.444 272 W N 3.597 124.535 121.300 -0.603 0.000 2.321 272 W HA -0.336 4.324 4.660 0.000 0.000 0.306 272 W C 1.012 177.392 176.519 -0.232 0.000 1.217 272 W CA 1.324 58.480 57.345 -0.314 0.000 1.257 272 W CB -0.958 28.416 29.460 -0.143 0.000 1.145 272 W HN 0.738 nan 8.180 nan 0.000 0.509 273 Y N -2.219 117.305 120.300 -1.293 0.000 2.680 273 Y HA 0.092 4.642 4.550 0.000 0.000 0.303 273 Y C 1.409 177.109 175.900 -0.333 0.000 1.166 273 Y CA 0.077 57.515 58.100 -1.103 0.000 1.344 273 Y CB -1.760 35.517 38.460 -1.972 0.000 1.002 273 Y HN -0.197 nan 8.280 nan 0.000 0.537 274 F N -0.438 119.322 119.950 -0.317 0.000 2.682 274 F HA 0.283 4.810 4.527 0.000 0.000 0.308 274 F C 1.627 177.301 175.800 -0.209 0.000 1.093 274 F CA -1.125 56.733 58.000 -0.237 0.000 1.244 274 F CB -0.461 38.359 39.000 -0.301 0.000 1.052 274 F HN 0.108 nan 8.300 nan 0.000 0.573 275 L N -0.263 121.018 121.223 0.097 0.000 2.042 275 L HA -0.271 4.069 4.340 0.000 0.000 0.210 275 L C 2.674 179.623 176.870 0.133 0.000 1.076 275 L CA 1.800 56.718 54.840 0.130 0.000 0.749 275 L CB -0.888 41.275 42.059 0.173 0.000 0.893 275 L HN 0.223 nan 8.230 nan 0.000 0.432 276 F N 0.073 120.054 119.950 0.051 0.000 2.171 276 F HA -0.091 4.436 4.527 0.000 0.000 0.300 276 F C 2.393 178.143 175.800 -0.082 0.000 1.090 276 F CA 0.880 58.853 58.000 -0.045 0.000 1.293 276 F CB -1.095 37.826 39.000 -0.132 0.000 1.013 276 F HN -0.072 nan 8.300 nan 0.000 0.486 277 A N -0.291 121.738 122.820 -1.319 0.000 1.969 277 A HA -0.134 4.186 4.320 0.000 0.000 0.218 277 A C 2.172 179.548 177.584 -0.347 0.000 1.169 277 A CA 1.298 52.760 52.037 -0.958 0.000 0.635 277 A CB -1.589 16.804 19.000 -1.012 0.000 0.810 277 A HN 0.641 nan 8.150 nan 0.000 0.445 278 Y N 0.691 120.787 120.300 -0.341 0.000 2.200 278 Y HA -0.015 4.535 4.550 0.000 0.000 0.290 278 Y C 2.544 178.358 175.900 -0.143 0.000 1.137 278 Y CA 1.006 58.990 58.100 -0.192 0.000 1.163 278 Y CB -0.540 37.846 38.460 -0.124 0.000 0.988 278 Y HN 0.287 nan 8.280 nan 0.000 0.518 279 A N 0.543 123.293 122.820 -0.117 0.000 1.902 279 A HA -0.148 4.172 4.320 0.000 0.000 0.217 279 A C 2.332 179.812 177.584 -0.172 0.000 1.181 279 A CA 1.899 53.824 52.037 -0.188 0.000 0.623 279 A CB -1.088 17.865 19.000 -0.079 0.000 0.818 279 A HN 0.567 nan 8.150 nan 0.000 0.443 280 I N -0.729 119.757 120.570 -0.141 0.000 2.179 280 I HA -0.240 3.930 4.170 0.000 0.000 0.242 280 I C 2.536 178.613 176.117 -0.067 0.000 1.088 280 I CA 1.491 62.747 61.300 -0.073 0.000 1.357 280 I CB -0.281 37.679 38.000 -0.066 0.000 1.051 280 I HN 0.443 nan 8.210 nan 0.000 0.409 281 L N 0.705 121.859 121.223 -0.115 0.000 2.046 281 L HA -0.204 4.136 4.340 0.000 0.000 0.208 281 L C 2.767 179.550 176.870 -0.144 0.000 1.077 281 L CA 1.552 56.330 54.840 -0.104 0.000 0.747 281 L CB -0.315 41.682 42.059 -0.105 0.000 0.896 281 L HN 0.100 nan 8.230 nan 0.000 0.432 282 R N -0.788 119.557 120.500 -0.257 0.000 2.193 282 R HA -0.095 4.245 4.340 0.000 0.000 0.229 282 R C 2.141 178.344 176.300 -0.162 0.000 1.110 282 R CA 1.241 57.176 56.100 -0.274 0.000 0.988 282 R CB -0.197 29.819 30.300 -0.474 0.000 0.871 282 R HN 0.389 nan 8.270 nan 0.000 0.458 283 S N 0.372 116.000 115.700 -0.119 0.000 2.515 283 S HA 0.072 4.542 4.470 0.000 0.000 0.231 283 S C 0.717 175.296 174.600 -0.035 0.000 0.987 283 S CA 0.529 58.692 58.200 -0.062 0.000 0.936 283 S CB 0.128 63.312 63.200 -0.027 0.000 0.766 283 S HN 0.163 nan 8.310 nan 0.000 0.528 284 I N 3.155 123.700 120.570 -0.041 0.000 2.354 284 I HA 0.231 4.401 4.170 0.000 0.000 0.286 284 I C -2.082 174.013 176.117 -0.036 0.000 1.007 284 I CA -2.138 59.145 61.300 -0.028 0.000 1.167 284 I CB 1.743 39.731 38.000 -0.020 0.000 1.320 284 I HN -0.135 nan 8.210 nan 0.000 0.458 285 P HA 0.027 nan 4.420 nan 0.000 0.246 285 P C -0.720 176.563 177.300 -0.027 0.000 1.686 285 P CA 0.302 63.384 63.100 -0.029 0.000 0.867 285 P CB -0.063 31.623 31.700 -0.022 0.000 1.733 286 N N 0.763 119.445 118.700 -0.030 0.000 2.369 286 N HA 0.079 4.819 4.740 0.000 0.000 0.287 286 N C 0.541 176.031 175.510 -0.032 0.000 1.067 286 N CA -0.379 52.653 53.050 -0.030 0.000 0.888 286 N CB 2.358 40.827 38.487 -0.031 0.000 1.616 286 N HN -0.206 nan 8.380 nan 0.000 0.482 287 K N 2.423 122.805 120.400 -0.031 0.000 1.973 287 K HA -0.127 4.193 4.320 0.000 0.000 0.212 287 K C 1.814 178.393 176.600 -0.034 0.000 1.047 287 K CA 1.327 57.596 56.287 -0.030 0.000 0.937 287 K CB -0.153 32.331 32.500 -0.027 0.000 0.721 287 K HN 0.463 nan 8.250 nan 0.000 0.440 288 L N 1.025 122.225 121.223 -0.039 0.000 2.083 288 L HA -0.039 4.301 4.340 0.000 0.000 0.209 288 L C 2.143 178.988 176.870 -0.042 0.000 1.083 288 L CA 2.327 57.142 54.840 -0.042 0.000 0.752 288 L CB -0.999 41.031 42.059 -0.047 0.000 0.899 288 L HN 0.388 nan 8.230 nan 0.000 0.433 289 G N -1.164 107.610 108.800 -0.042 0.000 2.418 289 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 289 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 289 G C 1.500 176.379 174.900 -0.035 0.000 1.158 289 G CA 0.560 45.633 45.100 -0.045 0.000 0.771 289 G HN 0.589 nan 8.290 nan 0.000 0.545 290 G N 0.263 109.044 108.800 -0.031 0.000 2.402 290 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 290 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 290 G C 1.741 176.628 174.900 -0.021 0.000 1.162 290 G CA 1.112 46.196 45.100 -0.027 0.000 0.777 290 G HN 0.313 nan 8.290 nan 0.000 0.539 291 V N 0.819 120.717 119.914 -0.027 0.000 2.427 291 V HA -0.058 4.062 4.120 0.000 0.000 0.248 291 V C 2.854 178.943 176.094 -0.009 0.000 1.051 291 V CA 1.123 63.408 62.300 -0.026 0.000 1.048 291 V CB -0.307 31.497 31.823 -0.032 0.000 0.666 291 V HN 0.319 nan 8.190 nan 0.000 0.456 292 L N -0.007 121.207 121.223 -0.015 0.000 2.056 292 L HA -0.106 4.234 4.340 0.000 0.000 0.207 292 L C 2.714 179.610 176.870 0.044 0.000 1.078 292 L CA 1.466 56.299 54.840 -0.012 0.000 0.749 292 L CB -0.707 41.315 42.059 -0.061 0.000 0.901 292 L HN 0.359 nan 8.230 nan 0.000 0.433 293 A N -0.051 122.794 122.820 0.043 0.000 1.930 293 A HA -0.211 4.109 4.320 0.000 0.000 0.217 293 A C 2.181 179.903 177.584 0.231 0.000 1.175 293 A CA 1.482 53.597 52.037 0.130 0.000 0.627 293 A CB -0.589 18.468 19.000 0.096 0.000 0.815 293 A HN 0.327 nan 8.150 nan 0.000 0.443 294 L N -0.097 121.186 121.223 0.101 0.000 1.994 294 L HA -0.077 4.263 4.340 0.000 0.000 0.208 294 L C 2.654 179.576 176.870 0.085 0.000 1.071 294 L CA 2.405 57.270 54.840 0.041 0.000 0.745 294 L CB -0.857 41.177 42.059 -0.042 0.000 0.892 294 L HN 0.321 nan 8.230 nan 0.000 0.431 295 A N -1.017 121.861 122.820 0.096 0.000 1.883 295 A HA -0.264 4.056 4.320 0.000 0.000 0.217 295 A C 2.261 179.997 177.584 0.253 0.000 1.186 295 A CA 1.911 54.021 52.037 0.120 0.000 0.624 295 A CB -1.231 17.820 19.000 0.086 0.000 0.822 295 A HN 0.539 nan 8.150 nan 0.000 0.444 296 F N 1.922 121.946 119.950 0.122 0.000 2.293 296 F HA -0.127 4.400 4.527 0.000 0.000 0.300 296 F C 2.727 178.766 175.800 0.399 0.000 1.086 296 F CA 1.209 59.332 58.000 0.205 0.000 1.375 296 F CB -0.500 38.571 39.000 0.118 0.000 1.045 296 F HN 0.349 nan 8.300 nan 0.000 0.516 297 S N -0.174 115.793 115.700 0.445 0.000 2.419 297 S HA -0.152 4.318 4.470 0.000 0.000 0.235 297 S C 1.844 176.590 174.600 0.243 0.000 1.019 297 S CA 1.454 59.856 58.200 0.336 0.000 0.982 297 S CB -0.579 62.703 63.200 0.136 0.000 0.789 297 S HN 0.273 nan 8.310 nan 0.000 0.490 298 I N 1.013 121.698 120.570 0.191 0.000 2.947 298 I HA 0.250 4.420 4.170 0.000 0.000 0.263 298 I C 2.304 178.492 176.117 0.118 0.000 1.130 298 I CA 0.271 61.669 61.300 0.165 0.000 1.448 298 I CB -1.519 36.565 38.000 0.141 0.000 1.222 298 I HN 0.277 nan 8.210 nan 0.000 0.453 299 L N 0.866 122.174 121.223 0.141 0.000 2.265 299 L HA -0.135 4.206 4.340 0.000 0.000 0.215 299 L C 2.505 179.445 176.870 0.118 0.000 1.117 299 L CA 1.003 55.934 54.840 0.151 0.000 0.782 299 L CB -0.322 41.874 42.059 0.229 0.000 0.914 299 L HN 0.202 nan 8.230 nan 0.000 0.441 300 I N -0.098 120.444 120.570 -0.047 0.000 2.567 300 I HA -0.294 3.876 4.170 0.000 0.000 0.257 300 I C 2.228 178.327 176.117 -0.029 0.000 1.184 300 I CA 0.921 62.088 61.300 -0.222 0.000 1.451 300 I CB 0.143 37.787 38.000 -0.594 0.000 1.089 300 I HN 0.252 nan 8.210 nan 0.000 0.441 301 L N 0.549 121.808 121.223 0.060 0.000 2.079 301 L HA -0.202 4.138 4.340 0.000 0.000 0.210 301 L C 2.653 179.739 176.870 0.359 0.000 1.081 301 L CA 1.292 56.252 54.840 0.199 0.000 0.752 301 L CB -0.730 41.403 42.059 0.124 0.000 0.896 301 L HN 0.310 nan 8.230 nan 0.000 0.433 302 A N -0.595 122.364 122.820 0.233 0.000 2.168 302 A HA -0.051 4.269 4.320 0.000 0.000 0.215 302 A C 2.152 179.849 177.584 0.189 0.000 1.152 302 A CA 0.937 53.131 52.037 0.262 0.000 0.716 302 A CB -0.337 18.760 19.000 0.162 0.000 0.794 302 A HN 0.402 nan 8.150 nan 0.000 0.465 303 L N -0.461 120.833 121.223 0.119 0.000 2.416 303 L HA -0.002 4.338 4.340 0.000 0.000 0.216 303 L C 1.968 178.802 176.870 -0.060 0.000 1.098 303 L CA -0.017 54.855 54.840 0.053 0.000 0.840 303 L CB -0.289 41.819 42.059 0.081 0.000 0.981 303 L HN 0.262 nan 8.230 nan 0.000 0.462 304 I N 1.037 121.524 120.570 -0.139 0.000 2.143 304 I HA -0.241 3.929 4.170 0.000 0.000 0.245 304 I C -0.075 175.702 176.117 -0.567 0.000 1.068 304 I CA 2.111 63.158 61.300 -0.421 0.000 1.326 304 I CB -2.369 35.251 38.000 -0.634 0.000 1.028 304 I HN 0.187 nan 8.210 nan 0.000 0.412 305 P HA -0.126 nan 4.420 nan 0.000 0.216 305 P C 2.159 179.413 177.300 -0.076 0.000 1.150 305 P CA 1.254 64.211 63.100 -0.238 0.000 0.837 305 P CB -0.020 31.614 31.700 -0.111 0.000 0.786 306 L N -1.882 119.303 121.223 -0.064 0.000 2.395 306 L HA -0.038 4.302 4.340 0.000 0.000 0.218 306 L C 1.898 178.756 176.870 -0.019 0.000 1.130 306 L CA 0.781 55.611 54.840 -0.017 0.000 0.826 306 L CB -0.540 41.520 42.059 0.001 0.000 0.941 306 L HN -0.017 nan 8.230 nan 0.000 0.451 307 L N -1.635 119.552 121.223 -0.059 0.000 2.592 307 L HA 0.037 4.377 4.340 0.000 0.000 0.227 307 L C 0.642 177.479 176.870 -0.053 0.000 1.127 307 L CA -0.248 54.554 54.840 -0.063 0.000 0.884 307 L CB -0.414 41.584 42.059 -0.101 0.000 1.065 307 L HN 0.150 nan 8.230 nan 0.000 0.457 308 H N 0.393 119.404 119.070 -0.099 0.000 2.955 308 H HA 0.014 4.570 4.556 0.000 0.000 0.290 308 H C 1.280 176.579 175.328 -0.047 0.000 1.047 308 H CA 0.504 56.526 56.048 -0.044 0.000 1.484 308 H CB 0.794 30.586 29.762 0.051 0.000 1.501 308 H HN 0.127 nan 8.280 nan 0.000 0.521 309 T N 0.109 114.478 114.554 -0.308 0.000 3.000 309 T HA 0.074 4.424 4.350 0.000 0.000 0.248 309 T C 1.100 175.661 174.700 -0.231 0.000 1.034 309 T CA 0.052 62.039 62.100 -0.189 0.000 1.060 309 T CB -0.028 68.758 68.868 -0.137 0.000 0.983 309 T HN 0.450 nan 8.240 nan 0.000 0.482 310 S N 1.136 116.579 115.700 -0.428 0.000 2.563 310 S HA 0.126 4.596 4.470 0.000 0.000 0.284 310 S C 1.115 175.641 174.600 -0.123 0.000 1.331 310 S CA -0.466 57.580 58.200 -0.257 0.000 1.047 310 S CB 0.411 63.445 63.200 -0.277 0.000 0.859 310 S HN 0.247 nan 8.310 nan 0.000 0.514 311 K N 2.198 122.496 120.400 -0.171 0.000 2.426 311 K HA 0.149 4.469 4.320 0.000 0.000 0.193 311 K C 0.247 176.731 176.600 -0.192 0.000 1.028 311 K CA 0.572 56.630 56.287 -0.381 0.000 1.047 311 K CB 0.012 31.837 32.500 -1.125 0.000 0.821 311 K HN 0.653 nan 8.250 nan 0.000 0.513 312 Q N 0.022 119.841 119.800 0.033 0.000 2.306 312 Q HA 0.312 4.652 4.340 0.000 0.000 0.265 312 Q C 0.813 176.897 176.000 0.139 0.000 1.022 312 Q CA -0.402 55.477 55.803 0.126 0.000 0.853 312 Q CB 2.502 31.383 28.738 0.238 0.000 1.327 312 Q HN -0.061 nan 8.270 nan 0.000 0.449 313 R N 0.809 121.341 120.500 0.053 0.000 2.062 313 R HA 0.015 4.355 4.340 0.000 0.000 0.229 313 R C 0.796 177.049 176.300 -0.077 0.000 1.128 313 R CA 0.884 56.940 56.100 -0.074 0.000 0.960 313 R CB 0.192 30.393 30.300 -0.165 0.000 0.855 313 R HN 0.527 nan 8.270 nan 0.000 0.432 314 S N -0.857 114.813 115.700 -0.050 0.000 2.672 314 S HA 0.196 4.666 4.470 0.000 0.000 0.276 314 S C 0.831 175.278 174.600 -0.255 0.000 1.207 314 S CA -0.674 57.450 58.200 -0.126 0.000 1.002 314 S CB 1.267 64.469 63.200 0.003 0.000 0.998 314 S HN 0.292 nan 8.310 nan 0.000 0.542 315 M N 2.939 122.193 119.600 -0.578 0.000 2.495 315 M HA 0.096 4.576 4.480 0.000 0.000 0.237 315 M C 1.820 177.792 176.300 -0.548 0.000 1.131 315 M CA 0.124 54.999 55.300 -0.709 0.000 1.032 315 M CB -0.190 31.602 32.600 -1.347 0.000 1.513 315 M HN 0.818 nan 8.290 nan 0.000 0.488 316 M N 0.413 119.750 119.600 -0.439 0.000 2.108 316 M HA -0.228 4.253 4.480 0.000 0.000 0.257 316 M C 0.309 176.414 176.300 -0.326 0.000 1.071 316 M CA 2.078 57.168 55.300 -0.351 0.000 1.093 316 M CB 0.061 32.316 32.600 -0.575 0.000 1.345 316 M HN 0.181 nan 8.290 nan 0.000 0.403 317 F N 0.186 120.147 119.950 0.017 0.000 2.639 317 F HA 0.330 4.857 4.527 0.000 0.000 0.300 317 F C -0.049 175.754 175.800 0.005 0.000 1.109 317 F CA -0.136 57.880 58.000 0.027 0.000 1.335 317 F CB 0.029 39.056 39.000 0.044 0.000 1.014 317 F HN -0.031 nan 8.300 nan 0.000 0.537 318 R N 0.324 120.865 120.500 0.068 0.000 2.402 318 R HA 0.264 4.604 4.340 0.000 0.000 0.290 318 R C -2.133 174.167 176.300 -0.000 0.000 1.321 318 R CA -1.436 54.679 56.100 0.024 0.000 1.283 318 R CB 0.750 31.026 30.300 -0.041 0.000 1.111 318 R HN -0.062 nan 8.270 nan 0.000 0.578 319 P HA -0.220 nan 4.420 nan 0.000 0.215 319 P C 0.952 178.285 177.300 0.056 0.000 1.157 319 P CA 1.307 64.446 63.100 0.064 0.000 0.874 319 P CB 0.259 32.001 31.700 0.070 0.000 0.790 320 L N -1.380 119.864 121.223 0.035 0.000 2.056 320 L HA -0.132 4.208 4.340 0.000 0.000 0.207 320 L C 2.370 179.248 176.870 0.014 0.000 1.078 320 L CA 1.608 56.466 54.840 0.029 0.000 0.749 320 L CB -1.351 40.718 42.059 0.017 0.000 0.901 320 L HN -0.007 nan 8.230 nan 0.000 0.433 321 S N -0.448 115.235 115.700 -0.028 0.000 2.382 321 S HA -0.221 4.249 4.470 0.000 0.000 0.228 321 S C 1.977 176.545 174.600 -0.054 0.000 1.027 321 S CA 1.256 59.413 58.200 -0.072 0.000 0.991 321 S CB -0.193 62.918 63.200 -0.149 0.000 0.823 321 S HN 0.432 nan 8.310 nan 0.000 0.469 322 Q N -0.054 119.724 119.800 -0.036 0.000 2.061 322 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 322 Q C 2.535 178.689 176.000 0.257 0.000 0.984 322 Q CA 1.670 57.524 55.803 0.083 0.000 0.846 322 Q CB -0.446 28.409 28.738 0.196 0.000 0.902 322 Q HN 0.554 nan 8.270 nan 0.000 0.421 323 C N 0.477 119.909 119.300 0.220 0.000 2.413 323 C HA -0.153 4.307 4.460 0.000 0.000 0.276 323 C C 2.592 177.691 174.990 0.183 0.000 1.236 323 C CA 0.635 59.794 59.018 0.236 0.000 1.735 323 C CB -1.082 26.744 27.740 0.144 0.000 2.031 323 C HN 0.485 nan 8.230 nan 0.000 0.474 324 L N -0.400 120.881 121.223 0.097 0.000 2.083 324 L HA -0.147 4.193 4.340 0.000 0.000 0.209 324 L C 2.424 179.299 176.870 0.007 0.000 1.083 324 L CA 1.536 56.400 54.840 0.039 0.000 0.752 324 L CB -0.741 41.317 42.059 -0.001 0.000 0.899 324 L HN 0.337 nan 8.230 nan 0.000 0.433 325 F N -0.036 119.819 119.950 -0.158 0.000 2.102 325 F HA -0.241 4.286 4.527 0.000 0.000 0.298 325 F C 2.022 177.633 175.800 -0.315 0.000 1.105 325 F CA 1.557 59.372 58.000 -0.309 0.000 1.239 325 F CB -0.403 38.318 39.000 -0.466 0.000 0.991 325 F HN -0.030 nan 8.300 nan 0.000 0.474 326 W N 0.038 121.420 121.300 0.137 0.000 2.425 326 W HA 0.008 4.668 4.660 0.000 0.000 0.277 326 W C 2.489 178.970 176.519 -0.063 0.000 1.231 326 W CA 0.897 58.258 57.345 0.026 0.000 1.248 326 W CB -0.601 28.935 29.460 0.127 0.000 1.117 326 W HN 0.099 nan 8.180 nan 0.000 0.568 327 A N -0.040 122.852 122.820 0.120 0.000 1.929 327 A HA -0.144 4.176 4.320 0.000 0.000 0.216 327 A C 1.861 179.429 177.584 -0.028 0.000 1.176 327 A CA 1.278 53.351 52.037 0.059 0.000 0.628 327 A CB -0.782 18.246 19.000 0.047 0.000 0.816 327 A HN 0.268 nan 8.150 nan 0.000 0.444 328 L N -0.176 120.959 121.223 -0.146 0.000 2.093 328 L HA -0.065 4.275 4.340 0.000 0.000 0.208 328 L C 2.283 179.021 176.870 -0.221 0.000 1.085 328 L CA 1.650 56.364 54.840 -0.211 0.000 0.755 328 L CB -0.339 41.507 42.059 -0.356 0.000 0.904 328 L HN 0.139 nan 8.230 nan 0.000 0.435 329 V N -0.088 119.652 119.914 -0.291 0.000 2.323 329 V HA -0.211 3.909 4.120 0.000 0.000 0.244 329 V C 2.775 178.852 176.094 -0.028 0.000 1.041 329 V CA 1.480 63.667 62.300 -0.188 0.000 1.025 329 V CB -1.268 30.499 31.823 -0.094 0.000 0.656 329 V HN 0.569 nan 8.190 nan 0.000 0.451 330 A N -0.003 122.838 122.820 0.037 0.000 1.972 330 A HA -0.303 4.017 4.320 0.000 0.000 0.219 330 A C 2.007 179.619 177.584 0.046 0.000 1.169 330 A CA 2.227 54.298 52.037 0.057 0.000 0.635 330 A CB -0.643 18.401 19.000 0.072 0.000 0.810 330 A HN 0.603 nan 8.150 nan 0.000 0.446 331 D N -0.544 119.872 120.400 0.027 0.000 2.183 331 D HA -0.046 4.594 4.640 0.000 0.000 0.203 331 D C 1.778 178.101 176.300 0.038 0.000 0.969 331 D CA 0.820 54.848 54.000 0.048 0.000 0.842 331 D CB -0.129 40.700 40.800 0.049 0.000 0.957 331 D HN 0.416 nan 8.370 nan 0.000 0.484 332 L N -0.126 121.086 121.223 -0.018 0.000 2.156 332 L HA -0.056 4.284 4.340 0.000 0.000 0.208 332 L C 2.182 179.057 176.870 0.007 0.000 1.095 332 L CA 0.288 55.081 54.840 -0.077 0.000 0.770 332 L CB -0.245 41.672 42.059 -0.238 0.000 0.914 332 L HN 0.206 nan 8.230 nan 0.000 0.439 333 L N -0.757 120.488 121.223 0.037 0.000 2.093 333 L HA -0.138 4.202 4.340 0.000 0.000 0.208 333 L C 2.360 179.329 176.870 0.164 0.000 1.085 333 L CA 1.964 56.858 54.840 0.089 0.000 0.755 333 L CB -0.714 41.384 42.059 0.066 0.000 0.904 333 L HN 0.093 nan 8.230 nan 0.000 0.435 334 T N 0.011 114.665 114.554 0.167 0.000 2.708 334 T HA -0.169 4.181 4.350 0.000 0.000 0.266 334 T C 1.970 176.832 174.700 0.269 0.000 1.037 334 T CA 1.946 64.218 62.100 0.288 0.000 1.146 334 T CB -0.376 68.630 68.868 0.230 0.000 0.865 334 T HN 0.303 nan 8.240 nan 0.000 0.435 335 L N 0.686 122.000 121.223 0.152 0.000 2.083 335 L HA -0.127 4.213 4.340 0.000 0.000 0.209 335 L C 2.911 179.862 176.870 0.135 0.000 1.083 335 L CA 1.161 56.062 54.840 0.101 0.000 0.752 335 L CB -0.964 41.139 42.059 0.074 0.000 0.899 335 L HN 0.297 nan 8.230 nan 0.000 0.433 336 T N -1.299 113.373 114.554 0.197 0.000 2.746 336 T HA -0.248 4.102 4.350 0.000 0.000 0.267 336 T C 1.314 176.143 174.700 0.216 0.000 1.039 336 T CA 1.610 63.847 62.100 0.228 0.000 1.142 336 T CB -0.381 68.635 68.868 0.247 0.000 0.866 336 T HN 0.549 nan 8.240 nan 0.000 0.444 337 W N 2.142 123.464 121.300 0.037 0.000 2.354 337 W HA -0.079 4.581 4.660 0.000 0.000 0.315 337 W C 1.627 178.108 176.519 -0.065 0.000 1.206 337 W CA 0.527 57.864 57.345 -0.013 0.000 1.290 337 W CB -0.672 28.775 29.460 -0.021 0.000 1.152 337 W HN 0.051 nan 8.180 nan 0.000 0.489 338 I N 1.525 121.854 120.570 -0.402 0.000 2.286 338 I HA -0.174 3.997 4.170 0.000 0.000 0.248 338 I C 2.534 178.454 176.117 -0.327 0.000 1.115 338 I CA 1.858 62.773 61.300 -0.640 0.000 1.392 338 I CB -2.088 35.678 38.000 -0.391 0.000 1.065 338 I HN 0.265 nan 8.210 nan 0.000 0.418 339 G N 0.266 109.016 108.800 -0.085 0.000 2.498 339 G HA2 -0.147 3.813 3.960 0.000 0.000 0.219 339 G HA3 -0.147 3.813 3.960 0.000 0.000 0.219 339 G C 1.559 176.546 174.900 0.145 0.000 1.119 339 G CA 0.784 45.958 45.100 0.123 0.000 0.766 339 G HN 0.516 nan 8.290 nan 0.000 0.552 340 G N -1.213 107.579 108.800 -0.014 0.000 3.088 340 G HA2 0.282 4.243 3.960 0.000 0.000 0.217 340 G HA3 0.282 4.243 3.960 0.000 0.000 0.217 340 G C 0.632 175.471 174.900 -0.103 0.000 1.159 340 G CA -0.162 44.931 45.100 -0.011 0.000 0.760 340 G HN 0.285 nan 8.290 nan 0.000 0.550 341 Q N 0.559 120.195 119.800 -0.273 0.000 2.241 341 Q HA 0.384 4.724 4.340 0.000 0.000 0.262 341 Q C -2.401 173.520 176.000 -0.132 0.000 1.014 341 Q CA -2.066 53.513 55.803 -0.374 0.000 0.885 341 Q CB 1.856 29.920 28.738 -1.124 0.000 1.311 341 Q HN 0.078 nan 8.270 nan 0.000 0.461 342 P HA 0.087 nan 4.420 nan 0.000 0.272 342 P C -0.239 177.124 177.300 0.104 0.000 1.240 342 P CA -0.288 62.876 63.100 0.108 0.000 0.791 342 P CB 0.590 32.391 31.700 0.169 0.000 0.978 343 V N 1.664 121.618 119.914 0.066 0.000 2.055 343 V HA 0.109 4.229 4.120 0.000 0.000 0.248 343 V C 0.718 176.851 176.094 0.064 0.000 1.476 343 V CA 0.685 63.007 62.300 0.037 0.000 1.417 343 V CB -1.842 29.977 31.823 -0.007 0.000 1.465 343 V HN 0.509 nan 8.190 nan 0.000 0.502 344 E N 0.732 120.998 120.200 0.109 0.000 2.416 344 E HA 0.378 4.728 4.350 0.000 0.000 0.273 344 E C -0.676 175.934 176.600 0.017 0.000 0.935 344 E CA -0.979 55.466 56.400 0.077 0.000 0.784 344 E CB 1.998 31.749 29.700 0.085 0.000 1.301 344 E HN 0.574 nan 8.360 nan 0.000 0.454 345 H N 3.323 122.340 119.070 -0.089 0.000 2.815 345 H HA 0.088 4.644 4.556 0.000 0.000 0.350 345 H C -1.784 173.363 175.328 -0.303 0.000 1.080 345 H CA -1.017 54.948 56.048 -0.138 0.000 1.433 345 H CB 1.122 30.831 29.762 -0.088 0.000 1.432 345 H HN 0.336 nan 8.280 nan 0.000 0.592 346 P HA -0.029 nan 4.420 nan 0.000 0.255 346 P C 0.542 177.600 177.300 -0.404 0.000 1.248 346 P CA 0.169 62.696 63.100 -0.956 0.000 0.807 346 P CB 0.052 31.229 31.700 -0.872 0.000 1.150 347 Y N 0.609 120.775 120.300 -0.223 0.000 2.256 347 Y HA -0.127 4.423 4.550 0.000 0.000 0.288 347 Y C 2.494 178.283 175.900 -0.185 0.000 1.155 347 Y CA 0.262 58.213 58.100 -0.247 0.000 1.203 347 Y CB -1.459 36.831 38.460 -0.283 0.000 0.980 347 Y HN -0.074 nan 8.280 nan 0.000 0.530 348 I N -0.796 119.780 120.570 0.010 0.000 2.226 348 I HA -0.306 3.864 4.170 0.000 0.000 0.245 348 I C 2.121 178.231 176.117 -0.012 0.000 1.100 348 I CA 1.845 63.141 61.300 -0.006 0.000 1.374 348 I CB -0.664 37.339 38.000 0.006 0.000 1.057 348 I HN 0.178 nan 8.210 nan 0.000 0.413 349 T N 1.076 115.620 114.554 -0.017 0.000 2.812 349 T HA -0.018 4.332 4.350 0.000 0.000 0.264 349 T C 1.946 176.651 174.700 0.009 0.000 1.042 349 T CA 1.100 63.199 62.100 -0.001 0.000 1.140 349 T CB -0.176 68.691 68.868 -0.002 0.000 0.870 349 T HN 0.217 nan 8.240 nan 0.000 0.445 350 I N 1.325 121.899 120.570 0.006 0.000 2.226 350 I HA -0.110 4.060 4.170 0.000 0.000 0.245 350 I C 2.899 179.035 176.117 0.032 0.000 1.100 350 I CA 1.312 62.640 61.300 0.046 0.000 1.374 350 I CB -0.730 37.324 38.000 0.089 0.000 1.057 350 I HN 0.308 nan 8.210 nan 0.000 0.413 351 G N -0.006 108.786 108.800 -0.014 0.000 2.422 351 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 351 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 351 G C 1.585 176.487 174.900 0.003 0.000 1.146 351 G CA 0.412 45.494 45.100 -0.029 0.000 0.769 351 G HN 0.422 nan 8.290 nan 0.000 0.547 352 Q N -0.427 119.381 119.800 0.012 0.000 2.123 352 Q HA 0.139 4.479 4.340 0.000 0.000 0.199 352 Q C 2.628 178.664 176.000 0.059 0.000 0.966 352 Q CA 0.577 56.400 55.803 0.033 0.000 0.845 352 Q CB -0.162 28.591 28.738 0.025 0.000 0.907 352 Q HN 0.426 nan 8.270 nan 0.000 0.439 353 L N 0.093 121.350 121.223 0.056 0.000 2.056 353 L HA -0.134 4.206 4.340 0.000 0.000 0.207 353 L C 2.489 179.410 176.870 0.084 0.000 1.078 353 L CA 0.895 55.777 54.840 0.069 0.000 0.749 353 L CB -0.525 41.573 42.059 0.064 0.000 0.901 353 L HN 0.203 nan 8.230 nan 0.000 0.433 354 A N -0.715 122.153 122.820 0.080 0.000 1.933 354 A HA -0.178 4.142 4.320 0.000 0.000 0.218 354 A C 2.503 180.144 177.584 0.095 0.000 1.175 354 A CA 2.019 54.107 52.037 0.086 0.000 0.628 354 A CB -0.524 18.524 19.000 0.080 0.000 0.814 354 A HN 0.363 nan 8.150 nan 0.000 0.444 355 S N -0.522 115.235 115.700 0.095 0.000 2.368 355 S HA -0.114 4.356 4.470 0.000 0.000 0.224 355 S C 1.898 176.662 174.600 0.274 0.000 1.029 355 S CA 1.373 59.659 58.200 0.144 0.000 0.988 355 S CB -0.415 62.870 63.200 0.142 0.000 0.838 355 S HN 0.335 nan 8.310 nan 0.000 0.462 356 V N 1.841 121.889 119.914 0.223 0.000 2.343 356 V HA -0.123 3.997 4.120 0.000 0.000 0.247 356 V C 2.241 178.462 176.094 0.211 0.000 1.051 356 V CA 1.451 63.895 62.300 0.239 0.000 1.036 356 V CB -0.580 31.329 31.823 0.144 0.000 0.654 356 V HN 0.363 nan 8.190 nan 0.000 0.451 357 L N -0.607 120.704 121.223 0.146 0.000 2.083 357 L HA -0.187 4.153 4.340 0.000 0.000 0.209 357 L C 2.253 179.167 176.870 0.074 0.000 1.083 357 L CA 2.033 56.932 54.840 0.098 0.000 0.752 357 L CB -0.918 41.188 42.059 0.078 0.000 0.899 357 L HN 0.484 nan 8.230 nan 0.000 0.433 358 Y N -0.469 119.788 120.300 -0.072 0.000 2.097 358 Y HA -0.323 4.227 4.550 0.000 0.000 0.282 358 Y C 2.122 177.863 175.900 -0.265 0.000 1.152 358 Y CA 2.228 60.187 58.100 -0.235 0.000 1.136 358 Y CB -0.649 37.572 38.460 -0.399 0.000 0.975 358 Y HN 0.208 nan 8.280 nan 0.000 0.498 359 F N -0.869 119.095 119.950 0.024 0.000 2.259 359 F HA -0.116 4.411 4.527 0.000 0.000 0.298 359 F C 2.158 177.912 175.800 -0.076 0.000 1.088 359 F CA 1.074 59.028 58.000 -0.076 0.000 1.358 359 F CB -0.938 38.124 39.000 0.104 0.000 1.040 359 F HN 0.169 nan 8.300 nan 0.000 0.505 360 L N -0.236 121.069 121.223 0.136 0.000 2.093 360 L HA -0.133 4.207 4.340 0.000 0.000 0.208 360 L C 2.047 178.913 176.870 -0.008 0.000 1.085 360 L CA 1.609 56.491 54.840 0.070 0.000 0.755 360 L CB -0.712 41.390 42.059 0.071 0.000 0.904 360 L HN 0.102 nan 8.230 nan 0.000 0.435 361 L N -1.045 120.140 121.223 -0.064 0.000 1.994 361 L HA -0.237 4.103 4.340 0.000 0.000 0.208 361 L C 2.433 179.215 176.870 -0.146 0.000 1.071 361 L CA 1.665 56.441 54.840 -0.106 0.000 0.745 361 L CB -0.382 41.592 42.059 -0.142 0.000 0.892 361 L HN 0.252 nan 8.230 nan 0.000 0.431 362 I N -0.716 119.716 120.570 -0.230 0.000 2.252 362 I HA -0.282 3.888 4.170 0.000 0.000 0.245 362 I C 2.214 178.250 176.117 -0.135 0.000 1.102 362 I CA 1.269 62.427 61.300 -0.238 0.000 1.385 362 I CB -0.143 37.627 38.000 -0.384 0.000 1.064 362 I HN 0.207 nan 8.210 nan 0.000 0.414 363 L N -0.666 120.518 121.223 -0.065 0.000 2.270 363 L HA -0.025 4.315 4.340 0.000 0.000 0.210 363 L C 1.940 178.806 176.870 -0.006 0.000 1.104 363 L CA 0.479 55.318 54.840 -0.003 0.000 0.804 363 L CB -0.019 42.089 42.059 0.081 0.000 0.937 363 L HN 0.079 nan 8.230 nan 0.000 0.450 364 V N -1.520 118.386 119.914 -0.013 0.000 3.054 364 V HA 0.016 4.136 4.120 0.000 0.000 0.227 364 V C 1.949 178.028 176.094 -0.025 0.000 1.252 364 V CA 0.090 62.384 62.300 -0.011 0.000 1.279 364 V CB 0.252 32.080 31.823 0.008 0.000 1.118 364 V HN 0.118 nan 8.190 nan 0.000 0.504 365 L N -0.342 120.865 121.223 -0.027 0.000 2.017 365 L HA -0.189 4.151 4.340 0.000 0.000 0.208 365 L C 2.563 179.406 176.870 -0.046 0.000 1.073 365 L CA 1.963 56.785 54.840 -0.029 0.000 0.745 365 L CB -0.515 41.530 42.059 -0.024 0.000 0.894 365 L HN 0.327 nan 8.230 nan 0.000 0.432 366 M N -0.651 118.908 119.600 -0.067 0.000 2.099 366 M HA -0.117 4.363 4.480 0.000 0.000 0.262 366 M C -0.217 176.026 176.300 -0.095 0.000 1.067 366 M CA 1.975 57.224 55.300 -0.084 0.000 1.124 366 M CB -1.280 31.257 32.600 -0.104 0.000 1.353 366 M HN 0.093 nan 8.290 nan 0.000 0.410 367 P HA -0.085 nan 4.420 nan 0.000 0.217 367 P C 1.243 178.498 177.300 -0.075 0.000 1.150 367 P CA 1.338 64.381 63.100 -0.096 0.000 0.832 367 P CB -0.170 31.487 31.700 -0.073 0.000 0.787 368 T N -0.595 113.928 114.554 -0.052 0.000 2.777 368 T HA -0.107 4.243 4.350 0.000 0.000 0.266 368 T C 1.898 176.578 174.700 -0.034 0.000 1.040 368 T CA 1.578 63.657 62.100 -0.035 0.000 1.141 368 T CB -0.916 67.939 68.868 -0.021 0.000 0.868 368 T HN 0.032 nan 8.240 nan 0.000 0.444 369 A N 1.307 124.103 122.820 -0.040 0.000 1.972 369 A HA 0.120 4.440 4.320 0.000 0.000 0.219 369 A C 2.588 180.147 177.584 -0.042 0.000 1.169 369 A CA 1.783 53.801 52.037 -0.032 0.000 0.635 369 A CB -1.266 17.714 19.000 -0.034 0.000 0.810 369 A HN 0.512 nan 8.150 nan 0.000 0.446 370 G N -1.153 107.601 108.800 -0.076 0.000 2.422 370 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 370 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 370 G C 1.533 176.401 174.900 -0.055 0.000 1.146 370 G CA 1.598 46.638 45.100 -0.100 0.000 0.769 370 G HN 0.435 nan 8.290 nan 0.000 0.547 371 T N 1.103 115.630 114.554 -0.045 0.000 2.857 371 T HA 0.052 4.402 4.350 0.000 0.000 0.266 371 T C 2.366 177.074 174.700 0.013 0.000 1.048 371 T CA 0.550 62.640 62.100 -0.017 0.000 1.139 371 T CB -0.056 68.800 68.868 -0.020 0.000 0.874 371 T HN 0.233 nan 8.240 nan 0.000 0.455 372 I N 1.028 121.603 120.570 0.007 0.000 2.252 372 I HA -0.141 4.029 4.170 0.000 0.000 0.245 372 I C 2.560 178.699 176.117 0.036 0.000 1.102 372 I CA 1.362 62.673 61.300 0.019 0.000 1.385 372 I CB -0.339 37.667 38.000 0.010 0.000 1.064 372 I HN 0.312 nan 8.210 nan 0.000 0.414 373 E N 0.769 120.992 120.200 0.038 0.000 2.110 373 E HA -0.211 4.139 4.350 0.000 0.000 0.193 373 E C 1.879 178.554 176.600 0.125 0.000 0.988 373 E CA 1.097 57.535 56.400 0.063 0.000 0.804 373 E CB -0.136 29.597 29.700 0.055 0.000 0.745 373 E HN 0.444 nan 8.360 nan 0.000 0.458 374 N N 0.815 119.607 118.700 0.153 0.000 2.069 374 N HA -0.142 4.598 4.740 0.000 0.000 0.191 374 N C 1.549 177.217 175.510 0.263 0.000 1.031 374 N CA 0.994 54.223 53.050 0.299 0.000 0.852 374 N CB -0.085 38.500 38.487 0.164 0.000 1.018 374 N HN 0.026 nan 8.380 nan 0.000 0.423 375 K N 1.081 121.562 120.400 0.134 0.000 2.097 375 K HA 0.021 4.341 4.320 0.000 0.000 0.206 375 K C 2.167 178.797 176.600 0.049 0.000 1.049 375 K CA 0.464 56.804 56.287 0.089 0.000 0.933 375 K CB -0.762 31.770 32.500 0.053 0.000 0.717 375 K HN 0.270 nan 8.250 nan 0.000 0.442 376 L N 0.378 121.624 121.223 0.037 0.000 2.191 376 L HA -0.102 4.238 4.340 0.000 0.000 0.212 376 L C 1.934 178.775 176.870 -0.048 0.000 1.103 376 L CA 0.817 55.657 54.840 0.000 0.000 0.769 376 L CB -0.252 41.812 42.059 0.007 0.000 0.908 376 L HN 0.061 nan 8.230 nan 0.000 0.438 377 L N -0.757 120.421 121.223 -0.075 0.000 2.628 377 L HA 0.071 4.411 4.340 0.000 0.000 0.229 377 L C 0.415 177.080 176.870 -0.340 0.000 1.137 377 L CA 0.016 54.693 54.840 -0.272 0.000 0.909 377 L CB 0.000 41.790 42.059 -0.449 0.000 1.137 377 L HN 0.172 nan 8.230 nan 0.000 0.470 378 K N 0.394 120.727 120.400 -0.111 0.000 3.125 378 K HA -0.184 4.136 4.320 0.000 0.000 0.268 378 K C -0.970 175.690 176.600 0.101 0.000 1.078 378 K CA 0.664 56.934 56.287 -0.029 0.000 0.775 378 K CB -1.350 31.105 32.500 -0.073 0.000 1.253 378 K HN 0.528 nan 8.250 nan 0.000 0.486 379 W N 0.000 121.295 121.300 -0.008 0.000 2.388 379 W HA 0.000 4.660 4.660 0.000 0.000 0.303 379 W CA 0.000 57.342 57.345 -0.006 0.000 1.226 379 W CB 0.000 29.457 29.460 -0.005 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535