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 2ihk_1_A DATA FIRST_RESID 25 DATA SEQUENCE MKTITLYLDP ASLPALNQLM DFTQNNEDKT HPRIFGLSRF KIPDNIITQY DATA SEQUENCE QNIHFVELKD NRPTEALFTI LDQYPGNIEL NIHLNIAHSV QLIRPILAYR DATA SEQUENCE FKHLDRVSIQ QLNLYDDGSM EYVDLEKEEN KDISAEIKQA EKQLSHYLLT DATA SEQUENCE GKIKFDNPTI ARYVWQSAFP VKYHFLSTDY FEKAEFLQPL KEYLAENYQK DATA SEQUENCE MDWTAYQQLT PEQQAFYLTL VGFNDEVKQS LEVQQAKFIF TGTTTWEGNT DATA SEQUENCE DVREYYAQQQ LNLLNHFTQA EGDLFIGDHY KIYFKGHPRG GEINDYILNN DATA SEQUENCE AKNITNIPAN ISFEVLMMTG LLPDKVGGVA SSLYFSLPKE KISHIIFTXX DATA SEQUENCE XXXXXXXXXX NNPYVKVMRR LGIIDESQVI FWDSLKQL 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 25 M HA 0.000 nan 4.480 nan 0.000 0.227 25 M C 0.000 176.291 176.300 -0.015 0.000 1.140 25 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 25 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 26 K N 2.814 123.194 120.400 -0.033 0.000 2.482 26 K HA 0.793 5.354 4.320 0.402 0.000 0.251 26 K C -1.373 175.157 176.600 -0.117 0.000 0.936 26 K CA -0.394 55.854 56.287 -0.066 0.000 0.791 26 K CB 2.014 34.479 32.500 -0.059 0.000 1.213 26 K HN 0.830 nan 8.250 nan 0.000 0.428 27 T N 4.434 118.908 114.554 -0.133 0.000 2.845 27 T HA 0.427 5.018 4.350 0.402 0.000 0.288 27 T C -0.035 174.453 174.700 -0.354 0.000 0.980 27 T CA -0.323 61.685 62.100 -0.153 0.000 1.071 27 T CB 0.314 69.186 68.868 0.006 0.000 0.941 27 T HN 0.385 nan 8.240 nan 0.000 0.487 28 I N 2.503 122.872 120.570 -0.335 0.000 2.433 28 I HA 0.305 4.716 4.170 0.402 0.000 0.292 28 I C 0.215 176.160 176.117 -0.286 0.000 1.001 28 I CA -0.754 60.286 61.300 -0.434 0.000 1.119 28 I CB 2.035 39.739 38.000 -0.493 0.000 1.289 28 I HN 0.476 nan 8.210 nan 0.000 0.438 29 T N 7.086 121.492 114.554 -0.247 0.000 2.767 29 T HA 0.601 5.192 4.350 0.402 0.000 0.284 29 T C -0.371 173.996 174.700 -0.555 0.000 0.973 29 T CA -0.392 61.514 62.100 -0.322 0.000 0.996 29 T CB 0.835 69.539 68.868 -0.273 0.000 0.927 29 T HN 0.157 nan 8.240 nan 0.000 0.456 30 L N 3.703 124.614 121.223 -0.520 0.000 2.322 30 L HA 0.485 5.066 4.340 0.402 0.000 0.281 30 L C -1.019 175.546 176.870 -0.509 0.000 1.014 30 L CA -0.697 53.852 54.840 -0.485 0.000 0.815 30 L CB 0.993 42.874 42.059 -0.297 0.000 1.247 30 L HN 0.587 nan 8.230 nan 0.000 0.421 31 Y N 4.378 124.468 120.300 -0.349 0.000 2.478 31 Y HA 0.603 5.394 4.550 0.401 0.000 0.329 31 Y C -0.500 175.315 175.900 -0.141 0.000 0.967 31 Y CA -0.609 57.318 58.100 -0.288 0.000 1.255 31 Y CB 0.894 39.053 38.460 -0.502 0.000 1.103 31 Y HN 0.321 nan 8.280 nan 0.000 0.497 32 L N 3.713 124.981 121.223 0.075 0.000 2.356 32 L HA 0.660 5.241 4.340 0.402 0.000 0.277 32 L C -1.061 175.855 176.870 0.076 0.000 0.996 32 L CA -0.673 54.199 54.840 0.054 0.000 0.822 32 L CB 2.091 44.154 42.059 0.007 0.000 1.256 32 L HN 0.439 nan 8.230 nan 0.000 0.413 33 D N 3.861 124.309 120.400 0.080 0.000 2.726 33 D HA 0.198 5.079 4.640 0.402 0.000 0.203 33 D C -2.380 173.969 176.300 0.082 0.000 1.297 33 D CA -0.828 53.227 54.000 0.091 0.000 0.863 33 D CB 2.655 43.514 40.800 0.097 0.000 1.669 33 D HN 0.116 nan 8.370 nan 0.000 0.561 34 P HA 0.213 nan 4.420 nan 0.000 0.245 34 P C 0.157 177.477 177.300 0.032 0.000 1.206 34 P CA 0.232 63.324 63.100 -0.013 0.000 0.781 34 P CB 0.662 32.269 31.700 -0.155 0.000 0.994 35 A N -0.252 122.629 122.820 0.101 0.000 3.847 35 A HA 0.624 5.186 4.320 0.402 0.000 0.152 35 A C 1.650 179.362 177.584 0.213 0.000 1.527 35 A CA 0.205 52.329 52.037 0.145 0.000 1.022 35 A CB -0.176 18.928 19.000 0.172 0.000 1.715 35 A HN -0.062 nan 8.150 nan 0.000 0.650 36 S N -1.885 113.954 115.700 0.231 0.000 2.891 36 S HA 0.148 4.859 4.470 0.402 0.000 0.247 36 S C 1.678 176.445 174.600 0.277 0.000 1.063 36 S CA 0.226 58.614 58.200 0.314 0.000 0.857 36 S CB -0.315 63.006 63.200 0.202 0.000 0.800 36 S HN 0.359 nan 8.310 nan 0.000 0.540 37 L N 2.825 124.182 121.223 0.223 0.000 2.027 37 L HA 0.088 4.669 4.340 0.402 0.000 0.206 37 L C -1.242 175.707 176.870 0.132 0.000 1.074 37 L CA 1.778 56.757 54.840 0.232 0.000 0.745 37 L CB -1.795 40.423 42.059 0.265 0.000 0.898 37 L HN 0.154 nan 8.230 nan 0.000 0.433 38 P HA -0.127 nan 4.420 nan 0.000 0.216 38 P C 1.605 178.744 177.300 -0.268 0.000 1.153 38 P CA 1.875 64.933 63.100 -0.071 0.000 0.848 38 P CB -0.093 31.659 31.700 0.086 0.000 0.787 39 A N -0.731 122.018 122.820 -0.119 0.000 1.908 39 A HA -0.204 4.357 4.320 0.402 0.000 0.218 39 A C 2.158 179.469 177.584 -0.455 0.000 1.181 39 A CA 1.536 53.416 52.037 -0.262 0.000 0.627 39 A CB -1.716 17.216 19.000 -0.113 0.000 0.818 39 A HN 0.110 nan 8.150 nan 0.000 0.445 40 L N 0.639 121.691 121.223 -0.285 0.000 2.017 40 L HA -0.186 4.395 4.340 0.402 0.000 0.208 40 L C 2.136 178.963 176.870 -0.071 0.000 1.073 40 L CA 1.968 56.718 54.840 -0.149 0.000 0.745 40 L CB -0.722 41.422 42.059 0.140 0.000 0.894 40 L HN 0.426 nan 8.230 nan 0.000 0.432 41 N N -0.992 117.590 118.700 -0.197 0.000 2.188 41 N HA -0.195 4.786 4.740 0.402 0.000 0.184 41 N C 1.739 177.007 175.510 -0.404 0.000 1.018 41 N CA 1.299 54.157 53.050 -0.321 0.000 0.858 41 N CB -0.097 38.098 38.487 -0.486 0.000 0.989 41 N HN 0.563 nan 8.380 nan 0.000 0.426 42 Q N 0.696 120.158 119.800 -0.564 0.000 2.119 42 Q HA 0.026 4.607 4.340 0.402 0.000 0.201 42 Q C 2.242 177.942 176.000 -0.500 0.000 0.972 42 Q CA 0.733 56.219 55.803 -0.529 0.000 0.847 42 Q CB -0.047 28.414 28.738 -0.462 0.000 0.903 42 Q HN 0.349 nan 8.270 nan 0.000 0.433 43 L N -0.167 120.857 121.223 -0.332 0.000 2.191 43 L HA -0.171 4.410 4.340 0.402 0.000 0.212 43 L C 2.409 179.381 176.870 0.169 0.000 1.103 43 L CA 0.545 55.321 54.840 -0.107 0.000 0.769 43 L CB -0.271 41.649 42.059 -0.232 0.000 0.908 43 L HN 0.334 nan 8.230 nan 0.000 0.438 44 M N 0.459 120.156 119.600 0.161 0.000 2.132 44 M HA -0.210 4.511 4.480 0.402 0.000 0.263 44 M C 1.693 177.977 176.300 -0.027 0.000 1.065 44 M CA 1.879 57.193 55.300 0.023 0.000 1.122 44 M CB -0.384 32.124 32.600 -0.153 0.000 1.365 44 M HN 0.161 nan 8.290 nan 0.000 0.411 45 D N -0.912 119.453 120.400 -0.060 0.000 2.097 45 D HA -0.228 4.653 4.640 0.402 0.000 0.195 45 D C 1.790 178.124 176.300 0.057 0.000 0.989 45 D CA 1.475 55.470 54.000 -0.008 0.000 0.827 45 D CB -0.268 40.541 40.800 0.015 0.000 0.966 45 D HN 0.401 nan 8.370 nan 0.000 0.456 46 F N 0.999 120.847 119.950 -0.169 0.000 2.126 46 F HA -0.151 4.617 4.527 0.402 0.000 0.299 46 F C 2.218 178.038 175.800 0.033 0.000 1.096 46 F CA 1.608 59.570 58.000 -0.063 0.000 1.255 46 F CB -0.974 37.949 39.000 -0.128 0.000 0.997 46 F HN -0.061 nan 8.300 nan 0.000 0.479 47 T N 0.411 114.905 114.554 -0.100 0.000 2.708 47 T HA -0.246 4.345 4.350 0.402 0.000 0.266 47 T C 1.863 176.426 174.700 -0.230 0.000 1.037 47 T CA 1.847 63.840 62.100 -0.178 0.000 1.146 47 T CB -0.403 68.553 68.868 0.146 0.000 0.865 47 T HN 0.378 nan 8.240 nan 0.000 0.435 48 Q N 0.869 120.594 119.800 -0.125 0.000 2.135 48 Q HA -0.079 4.503 4.340 0.402 0.000 0.204 48 Q C 1.350 177.280 176.000 -0.116 0.000 0.981 48 Q CA 1.358 57.092 55.803 -0.114 0.000 0.856 48 Q CB -0.220 28.476 28.738 -0.071 0.000 0.902 48 Q HN 0.545 nan 8.270 nan 0.000 0.425 49 N N 0.666 119.309 118.700 -0.096 0.000 2.276 49 N HA -0.040 4.941 4.740 0.402 0.000 0.212 49 N C 0.585 176.048 175.510 -0.079 0.000 1.127 49 N CA -0.033 52.977 53.050 -0.065 0.000 0.834 49 N CB 0.254 38.733 38.487 -0.013 0.000 1.014 49 N HN 0.281 nan 8.380 nan 0.000 0.491 50 N N 0.807 119.363 118.700 -0.239 0.000 2.512 50 N HA -0.150 4.831 4.740 0.402 0.000 0.183 50 N C 1.380 176.842 175.510 -0.081 0.000 1.073 50 N CA 0.878 53.746 53.050 -0.304 0.000 0.911 50 N CB 0.013 37.952 38.487 -0.914 0.000 0.964 50 N HN 0.180 nan 8.380 nan 0.000 0.447 51 E N 0.762 120.900 120.200 -0.103 0.000 2.150 51 E HA -0.134 4.457 4.350 0.402 0.000 0.193 51 E C -0.366 176.233 176.600 -0.001 0.000 0.985 51 E CA 0.545 56.903 56.400 -0.071 0.000 0.814 51 E CB -0.433 29.221 29.700 -0.077 0.000 0.752 51 E HN 0.322 nan 8.360 nan 0.000 0.466 52 D N 0.247 120.683 120.400 0.061 0.000 2.344 52 D HA -0.010 4.871 4.640 0.402 0.000 0.253 52 D C 0.180 176.621 176.300 0.234 0.000 1.255 52 D CA 0.086 54.154 54.000 0.114 0.000 0.894 52 D CB 0.569 41.429 40.800 0.100 0.000 1.067 52 D HN -0.060 nan 8.370 nan 0.000 0.492 53 K N 1.821 122.298 120.400 0.129 0.000 2.426 53 K HA 0.020 4.581 4.320 0.402 0.000 0.193 53 K C 1.378 178.104 176.600 0.209 0.000 1.028 53 K CA 0.452 56.787 56.287 0.079 0.000 1.047 53 K CB 0.422 32.831 32.500 -0.152 0.000 0.821 53 K HN 0.516 nan 8.250 nan 0.000 0.513 54 T N -3.457 111.221 114.554 0.206 0.000 3.004 54 T HA 0.041 4.633 4.350 0.402 0.000 0.266 54 T C 0.644 175.454 174.700 0.184 0.000 0.986 54 T CA -0.363 61.840 62.100 0.172 0.000 0.902 54 T CB -0.194 68.738 68.868 0.107 0.000 1.118 54 T HN 0.100 nan 8.240 nan 0.000 0.522 55 H N 3.851 122.998 119.070 0.129 0.000 3.070 55 H HA 0.177 4.973 4.556 0.401 0.000 0.313 55 H C -2.718 172.635 175.328 0.043 0.000 0.997 55 H CA -1.085 55.006 56.048 0.071 0.000 1.438 55 H CB 0.761 30.568 29.762 0.074 0.000 1.455 55 H HN 0.123 nan 8.280 nan 0.000 0.575 56 P HA 0.154 nan 4.420 nan 0.000 0.271 56 P C -0.732 176.427 177.300 -0.235 0.000 1.226 56 P CA 0.282 63.228 63.100 -0.257 0.000 0.765 56 P CB 0.497 31.852 31.700 -0.575 0.000 0.835 57 R N 3.136 123.568 120.500 -0.115 0.000 2.628 57 R HA 0.639 5.221 4.340 0.402 0.000 0.288 57 R C -0.676 175.449 176.300 -0.291 0.000 0.980 57 R CA -0.711 55.228 56.100 -0.268 0.000 0.891 57 R CB 1.988 32.120 30.300 -0.282 0.000 1.188 57 R HN 0.414 nan 8.270 nan 0.000 0.450 58 I N 3.180 123.483 120.570 -0.445 0.000 2.411 58 I HA 0.321 4.732 4.170 0.402 0.000 0.284 58 I C -0.928 174.935 176.117 -0.423 0.000 1.012 58 I CA -0.541 60.566 61.300 -0.322 0.000 1.119 58 I CB 1.099 38.956 38.000 -0.237 0.000 1.261 58 I HN 0.388 nan 8.210 nan 0.000 0.448 59 F N 3.943 123.742 119.950 -0.253 0.000 2.391 59 F HA 0.497 5.263 4.527 0.399 0.000 0.359 59 F C 1.074 176.889 175.800 0.026 0.000 1.122 59 F CA -0.468 57.471 58.000 -0.101 0.000 1.120 59 F CB 1.617 40.526 39.000 -0.151 0.000 1.142 59 F HN 0.479 nan 8.300 nan 0.000 0.483 60 G N 5.866 114.769 108.800 0.172 0.000 4.766 60 G HA2 0.500 4.701 3.960 0.402 0.000 0.331 60 G HA3 0.500 4.701 3.960 0.402 0.000 0.331 60 G C -0.837 174.154 174.900 0.151 0.000 1.473 60 G CA -0.362 44.822 45.100 0.140 0.000 1.076 60 G HN 0.526 nan 8.290 nan 0.000 0.544 61 L N 1.213 122.565 121.223 0.215 0.000 2.283 61 L HA 0.245 4.826 4.340 0.402 0.000 0.281 61 L C 1.365 178.348 176.870 0.188 0.000 1.033 61 L CA -0.622 54.347 54.840 0.216 0.000 0.848 61 L CB 1.555 43.772 42.059 0.263 0.000 1.226 61 L HN 0.206 nan 8.230 nan 0.000 0.429 62 S N 1.386 117.163 115.700 0.128 0.000 2.400 62 S HA -0.079 4.632 4.470 0.402 0.000 0.232 62 S C 1.639 176.258 174.600 0.031 0.000 1.025 62 S CA 1.337 59.576 58.200 0.065 0.000 0.993 62 S CB -0.105 63.112 63.200 0.027 0.000 0.808 62 S HN 0.582 nan 8.310 nan 0.000 0.478 63 R N -0.533 119.991 120.500 0.040 0.000 2.393 63 R HA 0.292 4.873 4.340 0.402 0.000 0.244 63 R C -0.997 174.990 176.300 -0.521 0.000 0.920 63 R CA 0.081 56.054 56.100 -0.212 0.000 1.076 63 R CB 0.314 30.448 30.300 -0.276 0.000 1.119 63 R HN 0.278 nan 8.270 nan 0.000 0.524 64 F N 0.639 120.572 119.950 -0.027 0.000 2.557 64 F HA 0.332 5.107 4.527 0.413 0.000 0.316 64 F C -0.127 175.622 175.800 -0.084 0.000 1.141 64 F CA -1.028 56.935 58.000 -0.061 0.000 0.922 64 F CB 1.859 40.819 39.000 -0.068 0.000 1.194 64 F HN -0.333 nan 8.300 nan 0.000 0.443 65 K N 4.768 125.181 120.400 0.022 0.000 2.293 65 K HA 0.472 5.033 4.320 0.402 0.000 0.267 65 K C -0.724 175.812 176.600 -0.107 0.000 1.010 65 K CA -0.606 55.630 56.287 -0.084 0.000 0.875 65 K CB 0.734 33.161 32.500 -0.123 0.000 1.106 65 K HN 0.515 nan 8.250 nan 0.000 0.450 66 I N 6.164 126.627 120.570 -0.178 0.000 2.587 66 I HA 0.096 4.507 4.170 0.402 0.000 0.284 66 I C -1.975 174.037 176.117 -0.175 0.000 1.134 66 I CA -2.450 58.733 61.300 -0.196 0.000 1.410 66 I CB 0.086 37.947 38.000 -0.231 0.000 1.392 66 I HN 0.504 nan 8.210 nan 0.000 0.545 67 P HA 0.015 nan 4.420 nan 0.000 0.264 67 P C 0.523 177.781 177.300 -0.070 0.000 1.183 67 P CA 0.038 63.076 63.100 -0.104 0.000 0.763 67 P CB 0.698 32.340 31.700 -0.097 0.000 0.807 68 D N 1.948 122.310 120.400 -0.064 0.000 2.158 68 D HA -0.179 4.702 4.640 0.402 0.000 0.197 68 D C 1.482 177.793 176.300 0.019 0.000 0.995 68 D CA 1.313 55.295 54.000 -0.030 0.000 0.846 68 D CB -0.428 40.350 40.800 -0.037 0.000 0.941 68 D HN 0.542 nan 8.370 nan 0.000 0.456 69 N N 0.543 119.251 118.700 0.014 0.000 2.520 69 N HA -0.121 4.860 4.740 0.402 0.000 0.185 69 N C 1.905 177.469 175.510 0.089 0.000 1.068 69 N CA 0.470 53.544 53.050 0.040 0.000 0.911 69 N CB -0.068 38.432 38.487 0.022 0.000 0.961 69 N HN 0.303 nan 8.380 nan 0.000 0.446 70 I N 0.800 121.428 120.570 0.097 0.000 2.628 70 I HA -0.009 4.402 4.170 0.402 0.000 0.255 70 I C 2.235 178.566 176.117 0.357 0.000 1.119 70 I CA 0.196 61.629 61.300 0.221 0.000 1.448 70 I CB 0.023 38.068 38.000 0.075 0.000 1.133 70 I HN -0.072 nan 8.210 nan 0.000 0.438 71 I N 1.200 121.908 120.570 0.230 0.000 2.151 71 I HA -0.348 4.063 4.170 0.402 0.000 0.243 71 I C 2.656 178.935 176.117 0.270 0.000 1.080 71 I CA 2.191 63.650 61.300 0.266 0.000 1.339 71 I CB -0.756 37.352 38.000 0.180 0.000 1.039 71 I HN 0.391 nan 8.210 nan 0.000 0.409 72 T N -1.707 112.953 114.554 0.177 0.000 2.977 72 T HA -0.203 4.388 4.350 0.402 0.000 0.271 72 T C 1.596 176.359 174.700 0.105 0.000 1.105 72 T CA 1.054 63.228 62.100 0.122 0.000 1.116 72 T CB -0.329 68.584 68.868 0.075 0.000 0.878 72 T HN 0.484 nan 8.240 nan 0.000 0.509 73 Q N -0.471 119.413 119.800 0.140 0.000 2.389 73 Q HA 0.155 4.737 4.340 0.402 0.000 0.204 73 Q C -0.452 175.390 176.000 -0.264 0.000 0.944 73 Q CA 0.423 56.192 55.803 -0.057 0.000 0.908 73 Q CB 0.150 28.829 28.738 -0.098 0.000 1.002 73 Q HN 0.655 nan 8.270 nan 0.000 0.493 74 Y N 0.432 120.817 120.300 0.142 0.000 2.409 74 Y HA 0.294 5.086 4.550 0.404 0.000 0.339 74 Y C 0.084 176.038 175.900 0.089 0.000 1.033 74 Y CA -0.891 57.296 58.100 0.145 0.000 1.094 74 Y CB 1.386 39.979 38.460 0.222 0.000 1.210 74 Y HN -0.110 nan 8.280 nan 0.000 0.456 75 Q N 1.180 121.095 119.800 0.192 0.000 2.204 75 Q HA 0.342 4.924 4.340 0.402 0.000 0.254 75 Q C -0.381 175.690 176.000 0.118 0.000 0.981 75 Q CA -0.927 54.949 55.803 0.121 0.000 0.897 75 Q CB 0.816 29.604 28.738 0.084 0.000 1.273 75 Q HN 0.635 nan 8.270 nan 0.000 0.464 76 N N 0.325 119.048 118.700 0.039 0.000 2.727 76 N HA -0.220 4.762 4.740 0.402 0.000 0.249 76 N C -1.280 174.141 175.510 -0.149 0.000 1.048 76 N CA 0.843 53.912 53.050 0.032 0.000 0.714 76 N CB -1.206 37.412 38.487 0.220 0.000 0.959 76 N HN 0.579 nan 8.380 nan 0.000 0.544 77 I N 0.893 121.278 120.570 -0.308 0.000 2.378 77 I HA 0.255 4.667 4.170 0.402 0.000 0.291 77 I C -0.221 175.557 176.117 -0.564 0.000 0.992 77 I CA -0.542 60.591 61.300 -0.279 0.000 1.154 77 I CB 0.735 38.714 38.000 -0.035 0.000 1.315 77 I HN 0.070 nan 8.210 nan 0.000 0.448 78 H N 6.446 125.337 119.070 -0.297 0.000 2.865 78 H HA 0.490 5.287 4.556 0.401 0.000 0.372 78 H C -1.592 173.359 175.328 -0.629 0.000 1.173 78 H CA -0.472 55.410 56.048 -0.276 0.000 1.147 78 H CB 2.105 31.809 29.762 -0.097 0.000 1.805 78 H HN 0.392 nan 8.280 nan 0.000 0.553 79 F N 0.270 120.346 119.950 0.209 0.000 2.556 79 F HA 0.429 5.196 4.527 0.401 0.000 0.314 79 F C -0.220 175.628 175.800 0.079 0.000 1.106 79 F CA -0.842 57.241 58.000 0.138 0.000 0.911 79 F CB 2.270 41.320 39.000 0.084 0.000 1.190 79 F HN 0.136 nan 8.300 nan 0.000 0.448 80 V N 3.214 123.255 119.914 0.211 0.000 2.760 80 V HA 0.450 4.811 4.120 0.402 0.000 0.309 80 V C -0.699 175.445 176.094 0.084 0.000 1.077 80 V CA -0.518 61.838 62.300 0.093 0.000 0.910 80 V CB 1.934 33.757 31.823 -0.001 0.000 1.008 80 V HN 0.673 nan 8.190 nan 0.000 0.424 81 E N 4.732 124.958 120.200 0.044 0.000 2.366 81 E HA 0.379 4.970 4.350 0.402 0.000 0.266 81 E C -0.852 175.748 176.600 0.000 0.000 1.051 81 E CA -0.169 56.246 56.400 0.026 0.000 0.884 81 E CB 1.500 31.206 29.700 0.011 0.000 1.006 81 E HN 0.536 nan 8.360 nan 0.000 0.417 82 L N 2.088 123.311 121.223 -0.001 0.000 2.309 82 L HA 0.453 5.034 4.340 0.402 0.000 0.282 82 L C 0.292 177.144 176.870 -0.030 0.000 1.036 82 L CA -0.515 54.312 54.840 -0.021 0.000 0.806 82 L CB 1.077 43.122 42.059 -0.024 0.000 1.220 82 L HN 0.240 nan 8.230 nan 0.000 0.429 83 K N 2.661 123.040 120.400 -0.035 0.000 2.482 83 K HA 0.211 4.772 4.320 0.402 0.000 0.251 83 K C -1.047 175.532 176.600 -0.034 0.000 0.936 83 K CA -0.526 55.741 56.287 -0.032 0.000 0.791 83 K CB 1.387 33.875 32.500 -0.021 0.000 1.213 83 K HN 0.612 nan 8.250 nan 0.000 0.428 84 D N 3.549 123.923 120.400 -0.044 0.000 2.708 84 D HA -0.209 4.672 4.640 0.402 0.000 0.236 84 D C -0.698 175.572 176.300 -0.050 0.000 1.146 84 D CA 1.149 55.125 54.000 -0.040 0.000 0.662 84 D CB -0.856 39.940 40.800 -0.007 0.000 1.059 84 D HN 0.898 nan 8.370 nan 0.000 0.428 85 N N -1.240 117.397 118.700 -0.105 0.000 2.741 85 N HA -0.252 4.730 4.740 0.402 0.000 0.250 85 N C -0.212 175.275 175.510 -0.038 0.000 1.115 85 N CA 1.573 54.538 53.050 -0.141 0.000 0.724 85 N CB -0.765 37.591 38.487 -0.219 0.000 1.090 85 N HN 0.679 nan 8.380 nan 0.000 0.558 86 R N -1.418 119.069 120.500 -0.021 0.000 2.707 86 R HA 0.568 5.150 4.340 0.402 0.000 0.272 86 R C -3.177 173.110 176.300 -0.022 0.000 1.011 86 R CA -1.748 54.356 56.100 0.006 0.000 0.893 86 R CB 1.247 31.572 30.300 0.042 0.000 1.233 86 R HN -0.223 nan 8.270 nan 0.000 0.464 87 P HA -0.026 nan 4.420 nan 0.000 0.268 87 P C 0.011 177.241 177.300 -0.117 0.000 1.205 87 P CA 0.013 63.069 63.100 -0.072 0.000 0.771 87 P CB 0.594 32.237 31.700 -0.095 0.000 0.858 88 T N -0.721 113.756 114.554 -0.128 0.000 2.726 88 T HA 0.090 4.681 4.350 0.402 0.000 0.294 88 T C 1.122 175.617 174.700 -0.342 0.000 1.013 88 T CA -0.302 61.701 62.100 -0.161 0.000 0.996 88 T CB 0.219 69.027 68.868 -0.100 0.000 1.016 88 T HN 0.231 nan 8.240 nan 0.000 0.529 89 E N 0.687 120.668 120.200 -0.365 0.000 2.284 89 E HA -0.095 4.496 4.350 0.402 0.000 0.200 89 E C 2.199 178.522 176.600 -0.461 0.000 1.008 89 E CA 1.383 57.432 56.400 -0.584 0.000 0.829 89 E CB -1.065 28.545 29.700 -0.150 0.000 0.744 89 E HN 0.771 nan 8.360 nan 0.000 0.491 90 A N 0.732 123.404 122.820 -0.246 0.000 2.076 90 A HA -0.168 4.393 4.320 0.402 0.000 0.220 90 A C 2.053 179.532 177.584 -0.175 0.000 1.160 90 A CA 1.193 53.146 52.037 -0.139 0.000 0.653 90 A CB -0.559 18.398 19.000 -0.071 0.000 0.801 90 A HN 0.300 nan 8.150 nan 0.000 0.455 91 L N -1.167 119.867 121.223 -0.316 0.000 2.042 91 L HA -0.119 4.462 4.340 0.402 0.000 0.210 91 L C 2.053 178.808 176.870 -0.192 0.000 1.076 91 L CA 2.004 56.675 54.840 -0.282 0.000 0.749 91 L CB -0.772 41.084 42.059 -0.338 0.000 0.893 91 L HN 0.359 nan 8.230 nan 0.000 0.432 92 F N -0.368 119.512 119.950 -0.116 0.000 2.171 92 F HA -0.120 4.650 4.527 0.405 0.000 0.300 92 F C 2.514 178.275 175.800 -0.065 0.000 1.090 92 F CA 1.379 59.316 58.000 -0.105 0.000 1.293 92 F CB -2.038 37.050 39.000 0.147 0.000 1.013 92 F HN 0.062 nan 8.300 nan 0.000 0.486 93 T N 0.978 115.609 114.554 0.128 0.000 2.746 93 T HA -0.159 4.432 4.350 0.402 0.000 0.267 93 T C 2.226 176.911 174.700 -0.024 0.000 1.039 93 T CA 1.510 63.647 62.100 0.062 0.000 1.142 93 T CB -0.522 68.372 68.868 0.042 0.000 0.866 93 T HN 0.180 nan 8.240 nan 0.000 0.444 94 I N 0.683 121.196 120.570 -0.096 0.000 2.142 94 I HA -0.121 4.290 4.170 0.402 0.000 0.240 94 I C 2.301 178.322 176.117 -0.160 0.000 1.078 94 I CA 1.258 62.427 61.300 -0.218 0.000 1.343 94 I CB -0.437 37.373 38.000 -0.316 0.000 1.046 94 I HN 0.166 nan 8.210 nan 0.000 0.405 95 L N 0.292 121.397 121.223 -0.196 0.000 2.131 95 L HA -0.229 4.352 4.340 0.402 0.000 0.210 95 L C 1.979 178.842 176.870 -0.011 0.000 1.092 95 L CA 1.064 55.782 54.840 -0.202 0.000 0.759 95 L CB -0.728 40.883 42.059 -0.747 0.000 0.903 95 L HN 0.265 nan 8.230 nan 0.000 0.435 96 D N -0.095 120.317 120.400 0.020 0.000 2.265 96 D HA -0.198 4.683 4.640 0.402 0.000 0.208 96 D C 2.189 178.471 176.300 -0.029 0.000 0.977 96 D CA 0.941 54.978 54.000 0.062 0.000 0.871 96 D CB -0.090 40.766 40.800 0.093 0.000 0.925 96 D HN 0.460 nan 8.370 nan 0.000 0.485 97 Q N -0.807 118.921 119.800 -0.120 0.000 2.364 97 Q HA -0.103 4.478 4.340 0.402 0.000 0.207 97 Q C -0.021 175.672 176.000 -0.512 0.000 0.970 97 Q CA 0.624 56.228 55.803 -0.332 0.000 0.888 97 Q CB 0.110 28.550 28.738 -0.496 0.000 0.951 97 Q HN 0.420 nan 8.270 nan 0.000 0.469 98 Y N 0.733 120.995 120.300 -0.063 0.000 2.841 98 Y HA 0.199 4.990 4.550 0.401 0.000 0.329 98 Y C -1.620 174.253 175.900 -0.046 0.000 1.062 98 Y CA -2.364 55.702 58.100 -0.056 0.000 1.281 98 Y CB 0.907 39.317 38.460 -0.083 0.000 1.147 98 Y HN 0.055 nan 8.280 nan 0.000 0.521 99 P HA 0.071 nan 4.420 nan 0.000 0.245 99 P C 0.896 178.210 177.300 0.023 0.000 1.206 99 P CA 0.478 63.586 63.100 0.014 0.000 0.781 99 P CB 0.714 32.410 31.700 -0.006 0.000 0.994 100 G N 0.417 109.242 108.800 0.042 0.000 2.531 100 G HA2 0.164 4.365 3.960 0.402 0.000 0.281 100 G HA3 0.164 4.365 3.960 0.402 0.000 0.281 100 G C -0.525 174.389 174.900 0.023 0.000 1.382 100 G CA -0.808 44.310 45.100 0.030 0.000 1.045 100 G HN 0.076 nan 8.290 nan 0.000 0.533 101 N N 0.219 118.927 118.700 0.014 0.000 2.452 101 N HA 0.306 5.287 4.740 0.402 0.000 0.266 101 N C -0.070 175.436 175.510 -0.006 0.000 1.209 101 N CA 0.121 53.175 53.050 0.005 0.000 0.929 101 N CB 0.566 39.053 38.487 0.002 0.000 1.063 101 N HN 0.493 nan 8.380 nan 0.000 0.472 102 I N -1.438 119.124 120.570 -0.013 0.000 2.509 102 I HA 0.516 4.927 4.170 0.402 0.000 0.293 102 I C -0.764 175.318 176.117 -0.059 0.000 1.020 102 I CA -0.887 60.384 61.300 -0.048 0.000 1.088 102 I CB 2.019 39.982 38.000 -0.061 0.000 1.267 102 I HN 0.301 nan 8.210 nan 0.000 0.430 103 E N 6.439 126.588 120.200 -0.085 0.000 2.158 103 E HA 0.531 5.122 4.350 0.402 0.000 0.271 103 E C -1.266 175.254 176.600 -0.134 0.000 0.911 103 E CA -0.776 55.570 56.400 -0.091 0.000 0.767 103 E CB 2.689 32.346 29.700 -0.070 0.000 1.120 103 E HN 0.563 nan 8.360 nan 0.000 0.405 104 L N 3.205 124.334 121.223 -0.156 0.000 2.264 104 L HA 0.318 4.899 4.340 0.402 0.000 0.289 104 L C 0.132 176.870 176.870 -0.221 0.000 1.044 104 L CA -0.747 53.971 54.840 -0.202 0.000 0.807 104 L CB 0.537 42.468 42.059 -0.214 0.000 1.192 104 L HN 0.383 nan 8.230 nan 0.000 0.425 105 N N 5.350 123.924 118.700 -0.209 0.000 2.500 105 N HA 0.383 5.364 4.740 0.402 0.000 0.236 105 N C -0.960 174.389 175.510 -0.267 0.000 1.022 105 N CA -0.230 52.690 53.050 -0.218 0.000 0.935 105 N CB 0.541 38.954 38.487 -0.122 0.000 1.147 105 N HN 0.482 nan 8.380 nan 0.000 0.512 106 I N 3.084 123.443 120.570 -0.352 0.000 2.354 106 I HA 0.208 4.619 4.170 0.402 0.000 0.292 106 I C -0.400 175.496 176.117 -0.367 0.000 0.989 106 I CA -0.809 60.297 61.300 -0.324 0.000 1.188 106 I CB 0.934 38.721 38.000 -0.356 0.000 1.342 106 I HN 0.392 nan 8.210 nan 0.000 0.457 107 H N 6.465 125.421 119.070 -0.191 0.000 2.511 107 H HA 0.701 5.498 4.556 0.401 0.000 0.328 107 H C -0.804 174.545 175.328 0.035 0.000 1.044 107 H CA -0.329 55.730 56.048 0.018 0.000 1.212 107 H CB 1.253 31.116 29.762 0.167 0.000 1.428 107 H HN 0.368 nan 8.280 nan 0.000 0.483 108 L N 1.680 122.996 121.223 0.155 0.000 2.376 108 L HA 0.351 4.932 4.340 0.402 0.000 0.258 108 L C 0.011 176.997 176.870 0.193 0.000 1.013 108 L CA -1.223 53.668 54.840 0.085 0.000 0.822 108 L CB 1.926 43.925 42.059 -0.101 0.000 1.388 108 L HN 0.578 nan 8.230 nan 0.000 0.413 109 N N 1.432 120.232 118.700 0.166 0.000 2.470 109 N HA 0.179 5.160 4.740 0.402 0.000 0.268 109 N C 0.765 176.359 175.510 0.140 0.000 1.136 109 N CA 0.191 53.359 53.050 0.196 0.000 0.961 109 N CB 1.195 39.815 38.487 0.221 0.000 1.067 109 N HN 0.601 nan 8.380 nan 0.000 0.468 110 I N 3.107 123.760 120.570 0.139 0.000 2.127 110 I HA -0.304 4.107 4.170 0.402 0.000 0.241 110 I C 2.213 178.337 176.117 0.012 0.000 1.075 110 I CA 1.438 62.790 61.300 0.088 0.000 1.334 110 I CB -0.302 37.779 38.000 0.135 0.000 1.040 110 I HN 0.657 nan 8.210 nan 0.000 0.405 111 A N -0.273 122.512 122.820 -0.059 0.000 1.940 111 A HA -0.219 4.342 4.320 0.402 0.000 0.219 111 A C 1.860 179.276 177.584 -0.280 0.000 1.176 111 A CA 1.630 53.531 52.037 -0.226 0.000 0.631 111 A CB -0.697 18.077 19.000 -0.378 0.000 0.814 111 A HN 0.499 nan 8.150 nan 0.000 0.446 112 H N -0.424 118.678 119.070 0.052 0.000 2.505 112 H HA 0.143 4.939 4.556 0.401 0.000 0.286 112 H C 2.033 177.414 175.328 0.089 0.000 1.072 112 H CA 0.685 56.767 56.048 0.056 0.000 1.141 112 H CB 0.036 29.820 29.762 0.036 0.000 1.550 112 H HN 0.696 nan 8.280 nan 0.000 0.547 113 S N -0.092 115.719 115.700 0.186 0.000 2.382 113 S HA -0.125 4.586 4.470 0.402 0.000 0.228 113 S C 2.178 176.970 174.600 0.320 0.000 1.027 113 S CA 1.046 59.351 58.200 0.174 0.000 0.991 113 S CB -0.788 62.503 63.200 0.152 0.000 0.823 113 S HN 0.095 nan 8.310 nan 0.000 0.469 114 V N 2.104 122.283 119.914 0.442 0.000 2.295 114 V HA -0.170 4.191 4.120 0.402 0.000 0.246 114 V C 3.078 179.413 176.094 0.403 0.000 1.049 114 V CA 1.969 64.585 62.300 0.527 0.000 1.024 114 V CB -0.790 31.202 31.823 0.281 0.000 0.648 114 V HN 0.477 nan 8.190 nan 0.000 0.447 115 Q N -0.523 119.435 119.800 0.264 0.000 2.079 115 Q HA -0.069 4.512 4.340 0.402 0.000 0.200 115 Q C 2.275 178.387 176.000 0.186 0.000 0.974 115 Q CA 1.431 57.361 55.803 0.211 0.000 0.840 115 Q CB -0.426 28.406 28.738 0.156 0.000 0.898 115 Q HN 0.546 nan 8.270 nan 0.000 0.430 116 L N 0.071 121.387 121.223 0.155 0.000 2.131 116 L HA -0.100 4.481 4.340 0.402 0.000 0.210 116 L C 2.304 179.214 176.870 0.067 0.000 1.092 116 L CA 0.722 55.612 54.840 0.084 0.000 0.759 116 L CB -0.202 41.891 42.059 0.057 0.000 0.903 116 L HN 0.155 nan 8.230 nan 0.000 0.435 117 I N -0.835 119.796 120.570 0.100 0.000 3.419 117 I HA -0.161 4.250 4.170 0.402 0.000 0.286 117 I C 2.628 178.843 176.117 0.164 0.000 1.268 117 I CA 0.312 61.645 61.300 0.055 0.000 1.414 117 I CB -0.054 37.921 38.000 -0.043 0.000 1.074 117 I HN 0.203 nan 8.210 nan 0.000 0.457 118 R N 1.528 122.199 120.500 0.286 0.000 2.094 118 R HA -0.177 4.404 4.340 0.402 0.000 0.239 118 R C -0.691 175.783 176.300 0.290 0.000 1.137 118 R CA 2.244 58.565 56.100 0.369 0.000 0.943 118 R CB -1.218 29.305 30.300 0.373 0.000 0.850 118 R HN 0.291 nan 8.270 nan 0.000 0.433 119 P HA -0.064 nan 4.420 nan 0.000 0.222 119 P C 1.129 178.662 177.300 0.388 0.000 1.153 119 P CA 1.127 64.435 63.100 0.348 0.000 0.798 119 P CB -0.054 31.761 31.700 0.192 0.000 0.796 120 I N -1.193 119.500 120.570 0.205 0.000 2.179 120 I HA -0.220 4.191 4.170 0.402 0.000 0.242 120 I C 1.966 178.153 176.117 0.116 0.000 1.088 120 I CA 1.177 62.556 61.300 0.133 0.000 1.357 120 I CB -0.716 37.273 38.000 -0.017 0.000 1.051 120 I HN -0.111 nan 8.210 nan 0.000 0.409 121 L N 0.793 122.053 121.223 0.062 0.000 2.083 121 L HA -0.146 4.435 4.340 0.402 0.000 0.209 121 L C 2.709 179.594 176.870 0.025 0.000 1.083 121 L CA 2.018 56.822 54.840 -0.060 0.000 0.752 121 L CB -1.423 40.564 42.059 -0.120 0.000 0.899 121 L HN 0.201 nan 8.230 nan 0.000 0.433 122 A N -1.655 121.318 122.820 0.256 0.000 1.902 122 A HA -0.293 4.268 4.320 0.402 0.000 0.217 122 A C 2.330 180.012 177.584 0.163 0.000 1.181 122 A CA 1.644 53.883 52.037 0.337 0.000 0.623 122 A CB -1.000 18.189 19.000 0.313 0.000 0.818 122 A HN 0.447 nan 8.150 nan 0.000 0.443 123 Y N 0.309 120.610 120.300 0.002 0.000 2.145 123 Y HA -0.224 4.568 4.550 0.403 0.000 0.286 123 Y C 2.608 178.535 175.900 0.045 0.000 1.145 123 Y CA 2.243 60.306 58.100 -0.060 0.000 1.148 123 Y CB -0.262 38.223 38.460 0.042 0.000 0.981 123 Y HN 0.301 nan 8.280 nan 0.000 0.507 124 R N -0.323 120.229 120.500 0.088 0.000 2.091 124 R HA -0.222 4.359 4.340 0.402 0.000 0.238 124 R C 2.211 178.445 176.300 -0.110 0.000 1.136 124 R CA 2.034 58.109 56.100 -0.041 0.000 0.959 124 R CB -0.941 29.294 30.300 -0.109 0.000 0.856 124 R HN 0.442 nan 8.270 nan 0.000 0.437 125 F N 1.019 120.927 119.950 -0.070 0.000 2.091 125 F HA -0.259 4.508 4.527 0.401 0.000 0.299 125 F C 2.682 178.361 175.800 -0.202 0.000 1.103 125 F CA 1.792 59.727 58.000 -0.108 0.000 1.228 125 F CB -0.163 38.781 39.000 -0.092 0.000 0.984 125 F HN 0.084 nan 8.300 nan 0.000 0.477 126 K N -0.879 119.445 120.400 -0.127 0.000 2.283 126 K HA -0.110 4.451 4.320 0.402 0.000 0.202 126 K C 0.144 176.295 176.600 -0.748 0.000 1.048 126 K CA 1.089 57.097 56.287 -0.465 0.000 0.948 126 K CB 0.011 32.126 32.500 -0.642 0.000 0.742 126 K HN 0.306 nan 8.250 nan 0.000 0.458 127 H N -0.093 118.823 119.070 -0.256 0.000 2.674 127 H HA 0.055 4.852 4.556 0.401 0.000 0.235 127 H C 0.349 175.603 175.328 -0.123 0.000 1.330 127 H CA -0.244 55.672 56.048 -0.220 0.000 1.052 127 H CB 0.714 30.270 29.762 -0.343 0.000 1.954 127 H HN 0.066 nan 8.280 nan 0.000 0.566 128 L N 0.664 121.871 121.223 -0.027 0.000 2.191 128 L HA -0.115 4.466 4.340 0.402 0.000 0.212 128 L C 1.680 178.550 176.870 -0.001 0.000 1.103 128 L CA 1.653 56.484 54.840 -0.014 0.000 0.769 128 L CB 0.071 42.126 42.059 -0.005 0.000 0.908 128 L HN 0.283 nan 8.230 nan 0.000 0.438 129 D N -0.973 119.431 120.400 0.006 0.000 2.317 129 D HA -0.090 4.791 4.640 0.402 0.000 0.211 129 D C 1.837 178.146 176.300 0.015 0.000 0.966 129 D CA 0.950 54.956 54.000 0.009 0.000 0.876 129 D CB 0.338 41.142 40.800 0.007 0.000 0.927 129 D HN 0.559 nan 8.370 nan 0.000 0.519 130 R N -0.614 119.902 120.500 0.026 0.000 2.453 130 R HA 0.198 4.779 4.340 0.402 0.000 0.233 130 R C 0.090 176.402 176.300 0.020 0.000 0.895 130 R CA -0.056 56.057 56.100 0.022 0.000 1.028 130 R CB 0.618 30.933 30.300 0.024 0.000 1.255 130 R HN -0.199 nan 8.270 nan 0.000 0.571 131 V N 2.576 122.507 119.914 0.029 0.000 2.384 131 V HA 0.467 4.828 4.120 0.402 0.000 0.287 131 V C -0.396 175.700 176.094 0.003 0.000 1.020 131 V CA -0.525 61.794 62.300 0.032 0.000 0.850 131 V CB 1.469 33.347 31.823 0.091 0.000 0.987 131 V HN 0.473 nan 8.190 nan 0.000 0.436 132 S N 5.472 121.161 115.700 -0.017 0.000 2.632 132 S HA 0.729 5.440 4.470 0.402 0.000 0.289 132 S C -0.996 173.561 174.600 -0.072 0.000 1.115 132 S CA -0.919 57.266 58.200 -0.026 0.000 0.889 132 S CB 2.093 65.288 63.200 -0.009 0.000 1.116 132 S HN 0.341 nan 8.310 nan 0.000 0.486 133 I N 2.402 122.921 120.570 -0.085 0.000 2.304 133 I HA 0.305 4.716 4.170 0.402 0.000 0.291 133 I C 1.455 177.489 176.117 -0.138 0.000 1.018 133 I CA -0.054 61.110 61.300 -0.227 0.000 1.260 133 I CB 0.885 38.540 38.000 -0.574 0.000 1.390 133 I HN 0.988 nan 8.210 nan 0.000 0.475 134 Q N 5.994 125.699 119.800 -0.158 0.000 2.062 134 Q HA -0.042 4.539 4.340 0.402 0.000 0.196 134 Q C -0.083 175.853 176.000 -0.106 0.000 0.967 134 Q CA 1.158 56.899 55.803 -0.103 0.000 0.832 134 Q CB 0.655 29.329 28.738 -0.106 0.000 0.899 134 Q HN 0.811 nan 8.270 nan 0.000 0.442 135 Q N -1.247 118.435 119.800 -0.195 0.000 2.776 135 Q HA 0.422 5.004 4.340 0.402 0.000 0.289 135 Q C -1.766 174.036 176.000 -0.330 0.000 0.912 135 Q CA -0.650 55.033 55.803 -0.200 0.000 0.789 135 Q CB 0.596 29.235 28.738 -0.165 0.000 1.498 135 Q HN 0.107 nan 8.270 nan 0.000 0.408 136 L N 1.452 122.475 121.223 -0.333 0.000 2.365 136 L HA 0.616 5.197 4.340 0.402 0.000 0.273 136 L C -0.746 175.849 176.870 -0.459 0.000 1.000 136 L CA -0.923 53.649 54.840 -0.447 0.000 0.819 136 L CB 1.981 43.741 42.059 -0.499 0.000 1.284 136 L HN 0.620 nan 8.230 nan 0.000 0.418 137 N N 3.612 121.995 118.700 -0.528 0.000 2.407 137 N HA 0.604 5.585 4.740 0.402 0.000 0.277 137 N C -1.334 173.864 175.510 -0.520 0.000 0.995 137 N CA -0.476 52.273 53.050 -0.502 0.000 0.903 137 N CB 2.582 40.783 38.487 -0.476 0.000 1.218 137 N HN 0.297 nan 8.380 nan 0.000 0.487 138 L N 2.913 123.760 121.223 -0.628 0.000 2.362 138 L HA 0.548 5.129 4.340 0.402 0.000 0.271 138 L C -1.133 175.505 176.870 -0.386 0.000 1.002 138 L CA -0.650 53.927 54.840 -0.438 0.000 0.818 138 L CB 1.190 42.967 42.059 -0.472 0.000 1.298 138 L HN 0.421 nan 8.230 nan 0.000 0.420 139 Y N -0.174 120.197 120.300 0.119 0.000 2.457 139 Y HA 0.366 5.157 4.550 0.402 0.000 0.343 139 Y C -0.359 175.672 175.900 0.219 0.000 0.994 139 Y CA -1.336 56.878 58.100 0.190 0.000 1.031 139 Y CB 1.528 40.053 38.460 0.108 0.000 1.246 139 Y HN 0.467 nan 8.280 nan 0.000 0.449 140 D N 2.214 122.882 120.400 0.447 0.000 2.493 140 D HA -0.091 4.790 4.640 0.402 0.000 0.240 140 D C 0.760 177.225 176.300 0.275 0.000 1.142 140 D CA 0.772 54.986 54.000 0.357 0.000 0.872 140 D CB 1.064 42.121 40.800 0.429 0.000 1.173 140 D HN 0.813 nan 8.370 nan 0.000 0.467 141 D N 1.657 122.174 120.400 0.195 0.000 2.133 141 D HA -0.136 4.745 4.640 0.402 0.000 0.192 141 D C 1.107 177.502 176.300 0.158 0.000 1.001 141 D CA 2.121 56.221 54.000 0.167 0.000 0.844 141 D CB 0.280 41.137 40.800 0.095 0.000 0.944 141 D HN 0.628 nan 8.370 nan 0.000 0.447 142 G N -1.937 106.935 108.800 0.121 0.000 2.530 142 G HA2 -0.068 4.133 3.960 0.402 0.000 0.081 142 G HA3 -0.068 4.133 3.960 0.402 0.000 0.081 142 G C 0.755 175.621 174.900 -0.058 0.000 1.062 142 G CA 0.461 45.585 45.100 0.040 0.000 1.108 142 G HN 0.330 nan 8.290 nan 0.000 0.466 143 S N 0.207 115.786 115.700 -0.201 0.000 2.419 143 S HA -0.105 4.606 4.470 0.402 0.000 0.233 143 S C 2.434 176.967 174.600 -0.112 0.000 1.016 143 S CA 2.017 60.069 58.200 -0.247 0.000 0.974 143 S CB -0.357 62.706 63.200 -0.229 0.000 0.786 143 S HN 0.656 nan 8.310 nan 0.000 0.492 144 M N 1.375 120.928 119.600 -0.078 0.000 2.108 144 M HA -0.180 4.541 4.480 0.402 0.000 0.261 144 M C 1.950 178.185 176.300 -0.109 0.000 1.066 144 M CA 1.990 57.242 55.300 -0.079 0.000 1.107 144 M CB -0.285 32.291 32.600 -0.040 0.000 1.356 144 M HN 0.230 nan 8.290 nan 0.000 0.406 145 E N -0.446 119.668 120.200 -0.144 0.000 2.085 145 E HA -0.217 4.374 4.350 0.402 0.000 0.194 145 E C 1.533 177.855 176.600 -0.463 0.000 0.994 145 E CA 2.080 58.314 56.400 -0.277 0.000 0.801 145 E CB -0.399 29.094 29.700 -0.346 0.000 0.743 145 E HN 0.677 nan 8.360 nan 0.000 0.453 146 Y N -0.824 119.333 120.300 -0.237 0.000 2.243 146 Y HA -0.098 4.692 4.550 0.399 0.000 0.293 146 Y C 2.269 177.998 175.900 -0.284 0.000 1.124 146 Y CA 0.566 58.393 58.100 -0.455 0.000 1.159 146 Y CB -0.497 37.672 38.460 -0.484 0.000 1.008 146 Y HN -0.107 nan 8.280 nan 0.000 0.527 147 V N 0.288 120.167 119.914 -0.058 0.000 2.343 147 V HA -0.279 4.082 4.120 0.402 0.000 0.247 147 V C 1.714 177.803 176.094 -0.009 0.000 1.051 147 V CA 2.120 64.403 62.300 -0.029 0.000 1.036 147 V CB -0.513 31.249 31.823 -0.101 0.000 0.654 147 V HN 0.373 nan 8.190 nan 0.000 0.451 148 D N 0.038 120.412 120.400 -0.043 0.000 2.117 148 D HA -0.115 4.766 4.640 0.402 0.000 0.197 148 D C 2.151 178.459 176.300 0.014 0.000 0.987 148 D CA 1.151 55.141 54.000 -0.016 0.000 0.829 148 D CB -0.279 40.505 40.800 -0.028 0.000 0.961 148 D HN 0.328 nan 8.370 nan 0.000 0.460 149 L N 0.534 121.748 121.223 -0.015 0.000 2.083 149 L HA -0.184 4.397 4.340 0.402 0.000 0.209 149 L C 2.384 179.415 176.870 0.269 0.000 1.083 149 L CA 1.003 55.886 54.840 0.072 0.000 0.752 149 L CB -0.255 41.773 42.059 -0.052 0.000 0.899 149 L HN -0.040 nan 8.230 nan 0.000 0.433 150 E N 0.779 121.132 120.200 0.256 0.000 2.160 150 E HA -0.229 4.362 4.350 0.402 0.000 0.195 150 E C 1.934 178.584 176.600 0.083 0.000 0.991 150 E CA 1.396 57.976 56.400 0.299 0.000 0.810 150 E CB 0.020 29.866 29.700 0.243 0.000 0.742 150 E HN 0.292 nan 8.360 nan 0.000 0.466 151 K N 0.086 120.517 120.400 0.050 0.000 2.439 151 K HA -0.041 4.520 4.320 0.402 0.000 0.197 151 K C 0.971 177.539 176.600 -0.052 0.000 1.041 151 K CA 0.755 57.035 56.287 -0.010 0.000 0.970 151 K CB 0.194 32.699 32.500 0.009 0.000 0.773 151 K HN 0.091 nan 8.250 nan 0.000 0.479 152 E N 0.830 121.015 120.200 -0.024 0.000 2.465 152 E HA -0.079 4.512 4.350 0.402 0.000 0.191 152 E C 1.131 177.586 176.600 -0.242 0.000 1.053 152 E CA 0.186 56.568 56.400 -0.030 0.000 0.869 152 E CB 0.334 30.100 29.700 0.109 0.000 0.977 152 E HN 0.364 nan 8.360 nan 0.000 0.483 153 E N 1.289 121.115 120.200 -0.624 0.000 2.171 153 E HA -0.212 4.379 4.350 0.402 0.000 0.197 153 E C 0.625 176.825 176.600 -0.667 0.000 0.997 153 E CA 1.192 56.792 56.400 -1.333 0.000 0.810 153 E CB 0.039 29.148 29.700 -0.985 0.000 0.738 153 E HN 0.264 nan 8.360 nan 0.000 0.467 154 N N -0.390 118.114 118.700 -0.326 0.000 2.280 154 N HA 0.044 5.025 4.740 0.402 0.000 0.192 154 N C -0.538 174.914 175.510 -0.096 0.000 1.109 154 N CA -0.068 52.876 53.050 -0.177 0.000 0.855 154 N CB 0.570 38.980 38.487 -0.128 0.000 0.974 154 N HN -0.046 nan 8.380 nan 0.000 0.482 155 K N 0.679 121.032 120.400 -0.078 0.000 2.098 155 K HA 0.092 4.653 4.320 0.402 0.000 0.257 155 K C -0.618 175.986 176.600 0.007 0.000 0.999 155 K CA -0.623 55.649 56.287 -0.025 0.000 0.924 155 K CB 0.811 33.304 32.500 -0.011 0.000 1.028 155 K HN -0.077 nan 8.250 nan 0.000 0.466 156 D N 2.820 123.223 120.400 0.005 0.000 2.416 156 D HA 0.016 4.897 4.640 0.402 0.000 0.240 156 D C 1.074 177.381 176.300 0.012 0.000 1.250 156 D CA -0.180 53.827 54.000 0.011 0.000 0.967 156 D CB 0.242 41.043 40.800 0.001 0.000 1.059 156 D HN 0.333 nan 8.370 nan 0.000 0.512 157 I N 2.186 122.774 120.570 0.030 0.000 2.226 157 I HA -0.230 4.181 4.170 0.402 0.000 0.245 157 I C 2.254 178.351 176.117 -0.032 0.000 1.100 157 I CA 0.713 62.021 61.300 0.013 0.000 1.374 157 I CB -1.195 36.825 38.000 0.033 0.000 1.057 157 I HN 0.341 nan 8.210 nan 0.000 0.413 158 S N 0.643 116.329 115.700 -0.024 0.000 2.359 158 S HA -0.169 4.542 4.470 0.402 0.000 0.224 158 S C 2.232 176.802 174.600 -0.050 0.000 1.035 158 S CA 1.644 59.820 58.200 -0.041 0.000 1.018 158 S CB -0.143 63.049 63.200 -0.014 0.000 0.876 158 S HN 0.506 nan 8.310 nan 0.000 0.448 159 A N 1.563 124.366 122.820 -0.029 0.000 1.902 159 A HA -0.077 4.484 4.320 0.402 0.000 0.217 159 A C 2.053 179.617 177.584 -0.033 0.000 1.181 159 A CA 1.532 53.553 52.037 -0.026 0.000 0.623 159 A CB -0.630 18.362 19.000 -0.013 0.000 0.818 159 A HN 0.555 nan 8.150 nan 0.000 0.443 160 E N 0.101 120.282 120.200 -0.032 0.000 2.085 160 E HA -0.183 4.408 4.350 0.402 0.000 0.194 160 E C 1.961 178.525 176.600 -0.061 0.000 0.994 160 E CA 1.207 57.589 56.400 -0.030 0.000 0.801 160 E CB -0.473 29.217 29.700 -0.016 0.000 0.743 160 E HN 0.745 nan 8.360 nan 0.000 0.453 161 I N 1.142 121.640 120.570 -0.121 0.000 2.179 161 I HA -0.279 4.132 4.170 0.402 0.000 0.242 161 I C 2.408 178.419 176.117 -0.178 0.000 1.088 161 I CA 1.237 62.397 61.300 -0.233 0.000 1.357 161 I CB -0.186 37.551 38.000 -0.438 0.000 1.051 161 I HN 0.033 nan 8.210 nan 0.000 0.409 162 K N 0.127 120.457 120.400 -0.118 0.000 2.057 162 K HA -0.271 4.290 4.320 0.402 0.000 0.207 162 K C 2.161 178.747 176.600 -0.024 0.000 1.049 162 K CA 1.547 57.799 56.287 -0.057 0.000 0.931 162 K CB -0.246 32.233 32.500 -0.033 0.000 0.714 162 K HN 0.167 nan 8.250 nan 0.000 0.440 163 Q N 1.016 120.806 119.800 -0.017 0.000 2.124 163 Q HA -0.090 4.491 4.340 0.402 0.000 0.202 163 Q C 1.847 177.873 176.000 0.043 0.000 0.977 163 Q CA 1.836 57.644 55.803 0.008 0.000 0.850 163 Q CB -0.233 28.510 28.738 0.008 0.000 0.901 163 Q HN 0.305 nan 8.270 nan 0.000 0.429 164 A N 0.291 123.138 122.820 0.045 0.000 1.930 164 A HA -0.186 4.375 4.320 0.402 0.000 0.217 164 A C 1.940 179.597 177.584 0.121 0.000 1.175 164 A CA 1.519 53.627 52.037 0.118 0.000 0.627 164 A CB -0.552 18.456 19.000 0.014 0.000 0.815 164 A HN 0.539 nan 8.150 nan 0.000 0.443 165 E N -0.338 119.885 120.200 0.037 0.000 2.085 165 E HA -0.233 4.358 4.350 0.402 0.000 0.194 165 E C 2.109 178.747 176.600 0.063 0.000 0.994 165 E CA 1.411 57.839 56.400 0.047 0.000 0.801 165 E CB -0.158 29.563 29.700 0.035 0.000 0.743 165 E HN 0.656 nan 8.360 nan 0.000 0.453 166 K N 1.029 121.458 120.400 0.049 0.000 2.026 166 K HA -0.226 4.335 4.320 0.402 0.000 0.208 166 K C 2.068 178.697 176.600 0.048 0.000 1.048 166 K CA 1.532 57.843 56.287 0.040 0.000 0.929 166 K CB 0.021 32.532 32.500 0.018 0.000 0.713 166 K HN 0.117 nan 8.250 nan 0.000 0.439 167 Q N 0.365 120.187 119.800 0.038 0.000 2.172 167 Q HA -0.131 4.450 4.340 0.402 0.000 0.200 167 Q C 2.122 178.089 176.000 -0.055 0.000 0.964 167 Q CA 0.862 56.617 55.803 -0.079 0.000 0.855 167 Q CB -0.053 28.560 28.738 -0.208 0.000 0.918 167 Q HN 0.239 nan 8.270 nan 0.000 0.444 168 L N 0.358 121.716 121.223 0.224 0.000 2.046 168 L HA -0.169 4.412 4.340 0.402 0.000 0.208 168 L C 2.328 179.306 176.870 0.180 0.000 1.077 168 L CA 1.966 56.985 54.840 0.299 0.000 0.747 168 L CB -0.896 41.260 42.059 0.161 0.000 0.896 168 L HN 0.060 nan 8.230 nan 0.000 0.432 169 S N -1.511 114.254 115.700 0.108 0.000 2.370 169 S HA -0.336 4.375 4.470 0.402 0.000 0.226 169 S C 2.196 176.859 174.600 0.106 0.000 1.033 169 S CA 1.649 59.894 58.200 0.075 0.000 1.011 169 S CB -0.563 62.669 63.200 0.052 0.000 0.852 169 S HN 0.812 nan 8.310 nan 0.000 0.457 170 H N -0.833 118.256 119.070 0.032 0.000 2.353 170 H HA -0.107 4.689 4.556 0.401 0.000 0.300 170 H C 1.933 177.333 175.328 0.121 0.000 1.090 170 H CA 2.163 58.231 56.048 0.034 0.000 1.327 170 H CB -0.525 29.216 29.762 -0.035 0.000 1.383 170 H HN 0.552 nan 8.280 nan 0.000 0.508 171 Y N 0.882 121.198 120.300 0.026 0.000 2.145 171 Y HA -0.181 4.610 4.550 0.402 0.000 0.286 171 Y C 2.102 178.083 175.900 0.136 0.000 1.145 171 Y CA 1.680 59.819 58.100 0.065 0.000 1.148 171 Y CB -0.713 37.816 38.460 0.115 0.000 0.981 171 Y HN 0.272 nan 8.280 nan 0.000 0.507 172 L N -0.742 120.525 121.223 0.074 0.000 2.093 172 L HA -0.219 4.362 4.340 0.402 0.000 0.208 172 L C 2.414 179.318 176.870 0.057 0.000 1.085 172 L CA 1.084 55.898 54.840 -0.044 0.000 0.755 172 L CB -0.522 41.513 42.059 -0.039 0.000 0.904 172 L HN 0.232 nan 8.230 nan 0.000 0.435 173 L N -0.902 120.372 121.223 0.085 0.000 2.209 173 L HA -0.070 4.511 4.340 0.402 0.000 0.207 173 L C 2.418 179.388 176.870 0.166 0.000 1.094 173 L CA 1.512 56.422 54.840 0.117 0.000 0.790 173 L CB -0.394 41.677 42.059 0.020 0.000 0.932 173 L HN 0.407 nan 8.230 nan 0.000 0.447 174 T N -5.475 109.103 114.554 0.041 0.000 2.971 174 T HA 0.246 4.837 4.350 0.402 0.000 0.252 174 T C 1.478 176.160 174.700 -0.031 0.000 1.022 174 T CA 0.527 62.556 62.100 -0.120 0.000 0.980 174 T CB 0.916 69.556 68.868 -0.380 0.000 1.044 174 T HN 0.328 nan 8.240 nan 0.000 0.501 175 G N 1.981 110.975 108.800 0.324 0.000 2.189 175 G HA2 -0.223 3.978 3.960 0.402 0.000 0.267 175 G HA3 -0.223 3.978 3.960 0.402 0.000 0.267 175 G C -0.079 175.073 174.900 0.420 0.000 0.975 175 G CA 0.247 45.628 45.100 0.468 0.000 0.644 175 G HN 0.630 nan 8.290 nan 0.000 0.537 176 K N 0.276 120.842 120.400 0.276 0.000 2.156 176 K HA 0.656 5.217 4.320 0.402 0.000 0.271 176 K C 0.282 176.941 176.600 0.098 0.000 0.995 176 K CA -0.818 55.575 56.287 0.176 0.000 0.890 176 K CB 1.583 34.166 32.500 0.140 0.000 1.073 176 K HN 0.279 nan 8.250 nan 0.000 0.454 177 I N 2.744 123.261 120.570 -0.089 0.000 2.312 177 I HA 0.222 4.633 4.170 0.402 0.000 0.290 177 I C 0.339 176.329 176.117 -0.211 0.000 1.008 177 I CA -0.401 60.711 61.300 -0.313 0.000 1.226 177 I CB 0.735 38.558 38.000 -0.295 0.000 1.371 177 I HN 0.101 nan 8.210 nan 0.000 0.468 178 K N 7.665 127.829 120.400 -0.394 0.000 2.761 178 K HA 0.368 4.930 4.320 0.402 0.000 0.257 178 K C -1.929 174.397 176.600 -0.458 0.000 1.053 178 K CA -0.423 55.696 56.287 -0.281 0.000 1.035 178 K CB 1.000 33.376 32.500 -0.207 0.000 1.267 178 K HN 0.295 nan 8.250 nan 0.000 0.505 179 F N 2.412 122.331 119.950 -0.053 0.000 2.426 179 F HA 0.258 5.027 4.527 0.402 0.000 0.348 179 F C 1.388 177.166 175.800 -0.036 0.000 1.124 179 F CA -0.701 57.271 58.000 -0.047 0.000 1.008 179 F CB 1.598 40.567 39.000 -0.052 0.000 1.139 179 F HN 0.382 nan 8.300 nan 0.000 0.452 180 D N 0.638 121.120 120.400 0.137 0.000 2.178 180 D HA -0.156 4.725 4.640 0.402 0.000 0.201 180 D C 0.575 176.925 176.300 0.083 0.000 0.980 180 D CA 1.497 55.542 54.000 0.075 0.000 0.842 180 D CB 0.132 40.956 40.800 0.039 0.000 0.948 180 D HN 0.238 nan 8.370 nan 0.000 0.472 181 N N -0.413 118.354 118.700 0.112 0.000 2.762 181 N HA 0.137 5.119 4.740 0.402 0.000 0.252 181 N C -2.223 173.297 175.510 0.018 0.000 1.269 181 N CA -1.664 51.420 53.050 0.057 0.000 0.799 181 N CB 1.691 40.199 38.487 0.036 0.000 1.173 181 N HN -0.244 nan 8.380 nan 0.000 0.516 182 P HA -0.084 nan 4.420 nan 0.000 0.217 182 P C 1.109 178.340 177.300 -0.116 0.000 1.148 182 P CA 1.356 64.409 63.100 -0.079 0.000 0.828 182 P CB 0.472 32.167 31.700 -0.008 0.000 0.783 183 T N -0.309 114.226 114.554 -0.032 0.000 2.668 183 T HA -0.089 4.502 4.350 0.402 0.000 0.262 183 T C 1.694 176.454 174.700 0.099 0.000 1.045 183 T CA 1.007 63.122 62.100 0.025 0.000 1.152 183 T CB -0.674 68.223 68.868 0.048 0.000 0.864 183 T HN -0.036 nan 8.240 nan 0.000 0.419 184 I N 1.831 122.443 120.570 0.070 0.000 2.394 184 I HA -0.057 4.354 4.170 0.402 0.000 0.251 184 I C 2.866 179.009 176.117 0.043 0.000 1.136 184 I CA 0.683 62.052 61.300 0.115 0.000 1.425 184 I CB -1.652 36.362 38.000 0.023 0.000 1.079 184 I HN 0.174 nan 8.210 nan 0.000 0.425 185 A N 0.990 123.706 122.820 -0.173 0.000 2.024 185 A HA -0.217 4.344 4.320 0.402 0.000 0.220 185 A C 2.363 179.655 177.584 -0.487 0.000 1.164 185 A CA 1.279 53.025 52.037 -0.486 0.000 0.643 185 A CB -0.641 17.670 19.000 -1.149 0.000 0.806 185 A HN 0.370 nan 8.150 nan 0.000 0.451 186 R N -2.146 118.170 120.500 -0.306 0.000 2.241 186 R HA -0.120 4.461 4.340 0.402 0.000 0.224 186 R C 0.519 176.659 176.300 -0.265 0.000 1.101 186 R CA 1.367 57.297 56.100 -0.284 0.000 0.995 186 R CB -0.268 29.751 30.300 -0.469 0.000 0.870 186 R HN 0.724 nan 8.270 nan 0.000 0.463 187 Y N -1.357 118.992 120.300 0.082 0.000 2.531 187 Y HA 0.122 4.914 4.550 0.402 0.000 0.249 187 Y C 1.226 177.265 175.900 0.232 0.000 1.168 187 Y CA -0.453 57.743 58.100 0.160 0.000 1.226 187 Y CB 1.027 39.495 38.460 0.014 0.000 1.177 187 Y HN -0.123 nan 8.280 nan 0.000 0.527 188 V N -5.404 114.591 119.914 0.135 0.000 3.214 188 V HA 0.120 4.481 4.120 0.402 0.000 0.330 188 V C 0.940 177.125 176.094 0.151 0.000 1.403 188 V CA -0.605 61.817 62.300 0.203 0.000 1.143 188 V CB -0.922 30.916 31.823 0.025 0.000 1.098 188 V HN 0.356 nan 8.190 nan 0.000 0.463 189 W N 2.091 123.587 121.300 0.325 0.000 2.341 189 W HA -0.197 4.703 4.660 0.400 0.000 0.283 189 W C 2.687 179.323 176.519 0.194 0.000 1.215 189 W CA 1.835 59.335 57.345 0.259 0.000 1.211 189 W CB -0.228 29.371 29.460 0.232 0.000 1.131 189 W HN 0.510 nan 8.180 nan 0.000 0.552 190 Q N 0.672 120.716 119.800 0.407 0.000 2.291 190 Q HA -0.191 4.390 4.340 0.402 0.000 0.206 190 Q C 1.911 177.979 176.000 0.114 0.000 0.976 190 Q CA 1.789 57.719 55.803 0.211 0.000 0.875 190 Q CB -0.895 27.901 28.738 0.097 0.000 0.927 190 Q HN 0.306 nan 8.270 nan 0.000 0.450 191 S N -0.321 115.464 115.700 0.141 0.000 2.474 191 S HA 0.085 4.796 4.470 0.402 0.000 0.235 191 S C 1.686 176.258 174.600 -0.046 0.000 0.997 191 S CA 0.640 58.884 58.200 0.073 0.000 0.949 191 S CB 0.184 63.452 63.200 0.113 0.000 0.766 191 S HN 0.534 nan 8.310 nan 0.000 0.517 192 A N -0.508 122.228 122.820 -0.140 0.000 2.066 192 A HA 0.674 5.235 4.320 0.402 0.000 0.198 192 A C 0.098 177.285 177.584 -0.662 0.000 1.405 192 A CA -0.150 51.586 52.037 -0.502 0.000 0.973 192 A CB 0.475 18.993 19.000 -0.804 0.000 1.026 192 A HN 0.416 nan 8.150 nan 0.000 0.474 193 F N -0.813 119.201 119.950 0.106 0.000 2.599 193 F HA 0.566 5.334 4.527 0.402 0.000 0.311 193 F C -2.858 172.950 175.800 0.014 0.000 1.076 193 F CA -3.056 54.969 58.000 0.041 0.000 0.937 193 F CB 0.976 39.986 39.000 0.016 0.000 1.282 193 F HN -0.235 nan 8.300 nan 0.000 0.460 194 P HA 0.302 nan 4.420 nan 0.000 0.267 194 P C -1.160 176.147 177.300 0.010 0.000 1.205 194 P CA -0.155 62.978 63.100 0.055 0.000 0.765 194 P CB 0.670 32.377 31.700 0.011 0.000 0.828 195 V N -0.052 119.845 119.914 -0.028 0.000 3.049 195 V HA 0.824 5.185 4.120 0.402 0.000 0.309 195 V C -0.919 175.061 176.094 -0.191 0.000 1.148 195 V CA -1.232 60.983 62.300 -0.141 0.000 0.990 195 V CB 2.521 34.283 31.823 -0.103 0.000 1.039 195 V HN 0.267 nan 8.190 nan 0.000 0.430 196 K N 2.208 122.403 120.400 -0.343 0.000 2.471 196 K HA 0.638 5.199 4.320 0.402 0.000 0.252 196 K C -1.959 174.270 176.600 -0.618 0.000 0.938 196 K CA -0.490 55.570 56.287 -0.379 0.000 0.796 196 K CB 1.581 33.870 32.500 -0.351 0.000 1.161 196 K HN 0.762 nan 8.250 nan 0.000 0.425 197 Y N 2.401 122.375 120.300 -0.544 0.000 2.334 197 Y HA 0.346 5.136 4.550 0.400 0.000 0.328 197 Y C -0.183 175.134 175.900 -0.973 0.000 1.130 197 Y CA -0.290 57.405 58.100 -0.675 0.000 1.163 197 Y CB 1.424 39.406 38.460 -0.796 0.000 1.207 197 Y HN 0.561 nan 8.280 nan 0.000 0.471 198 H N 2.881 121.703 119.070 -0.413 0.000 2.762 198 H HA 0.347 5.144 4.556 0.402 0.000 0.310 198 H C -1.372 173.997 175.328 0.068 0.000 1.004 198 H CA -0.685 55.232 56.048 -0.218 0.000 1.267 198 H CB 0.287 29.942 29.762 -0.177 0.000 1.437 198 H HN 0.380 nan 8.280 nan 0.000 0.498 199 F N 2.299 122.414 119.950 0.274 0.000 2.421 199 F HA 0.108 4.875 4.527 0.400 0.000 0.337 199 F C 1.219 177.239 175.800 0.367 0.000 1.105 199 F CA -1.255 56.961 58.000 0.359 0.000 1.049 199 F CB 1.137 40.350 39.000 0.356 0.000 1.139 199 F HN 0.431 nan 8.300 nan 0.000 0.479 200 L N 1.844 123.445 121.223 0.630 0.000 2.042 200 L HA -0.094 4.487 4.340 0.402 0.000 0.210 200 L C 0.882 177.995 176.870 0.406 0.000 1.076 200 L CA 1.810 56.924 54.840 0.456 0.000 0.749 200 L CB -0.355 41.877 42.059 0.289 0.000 0.893 200 L HN 0.473 nan 8.230 nan 0.000 0.432 201 S N -2.212 113.722 115.700 0.390 0.000 2.774 201 S HA 0.326 5.037 4.470 0.402 0.000 0.297 201 S C 0.952 175.891 174.600 0.566 0.000 1.143 201 S CA -0.027 58.375 58.200 0.336 0.000 1.090 201 S CB 0.840 64.065 63.200 0.041 0.000 1.019 201 S HN 0.503 nan 8.310 nan 0.000 0.482 202 T N 1.392 116.266 114.554 0.534 0.000 2.985 202 T HA -0.016 4.575 4.350 0.402 0.000 0.266 202 T C 1.078 176.063 174.700 0.475 0.000 1.076 202 T CA 0.839 63.295 62.100 0.595 0.000 1.135 202 T CB -0.341 68.851 68.868 0.539 0.000 0.890 202 T HN 0.484 nan 8.240 nan 0.000 0.480 203 D N 0.591 121.196 120.400 0.342 0.000 2.149 203 D HA -0.100 4.781 4.640 0.402 0.000 0.198 203 D C 1.531 177.947 176.300 0.194 0.000 0.990 203 D CA 0.977 55.116 54.000 0.231 0.000 0.839 203 D CB -0.514 40.390 40.800 0.174 0.000 0.948 203 D HN 0.503 nan 8.370 nan 0.000 0.460 204 Y N 0.157 120.520 120.300 0.104 0.000 2.165 204 Y HA -0.245 4.548 4.550 0.406 0.000 0.286 204 Y C 1.925 177.709 175.900 -0.193 0.000 1.155 204 Y CA 1.502 59.568 58.100 -0.056 0.000 1.164 204 Y CB -0.529 37.889 38.460 -0.069 0.000 0.978 204 Y HN -0.086 nan 8.280 nan 0.000 0.513 205 F N 0.548 120.485 119.950 -0.022 0.000 2.365 205 F HA -0.132 4.636 4.527 0.400 0.000 0.300 205 F C 2.110 177.811 175.800 -0.165 0.000 1.090 205 F CA 1.424 59.314 58.000 -0.184 0.000 1.408 205 F CB -0.142 38.730 39.000 -0.213 0.000 1.060 205 F HN 0.202 nan 8.300 nan 0.000 0.534 206 E N -0.006 120.233 120.200 0.064 0.000 2.166 206 E HA -0.047 4.544 4.350 0.402 0.000 0.192 206 E C 1.768 178.322 176.600 -0.078 0.000 0.967 206 E CA 0.496 56.909 56.400 0.022 0.000 0.840 206 E CB -0.188 29.563 29.700 0.085 0.000 0.795 206 E HN 0.384 nan 8.360 nan 0.000 0.470 207 K N 1.120 121.438 120.400 -0.136 0.000 2.186 207 K HA 0.120 4.681 4.320 0.402 0.000 0.202 207 K C 0.905 177.354 176.600 -0.252 0.000 1.052 207 K CA 0.520 56.716 56.287 -0.152 0.000 0.965 207 K CB 0.293 32.731 32.500 -0.103 0.000 0.746 207 K HN -0.049 nan 8.250 nan 0.000 0.457 208 A N 2.080 124.600 122.820 -0.499 0.000 2.539 208 A HA 0.049 4.610 4.320 0.402 0.000 0.306 208 A C 0.466 177.745 177.584 -0.508 0.000 1.392 208 A CA -0.094 51.574 52.037 -0.616 0.000 1.060 208 A CB -0.079 18.183 19.000 -1.229 0.000 1.134 208 A HN 0.232 nan 8.150 nan 0.000 0.542 209 E N 1.733 121.807 120.200 -0.210 0.000 2.153 209 E HA -0.221 4.370 4.350 0.402 0.000 0.194 209 E C 1.226 177.764 176.600 -0.103 0.000 0.988 209 E CA 1.627 57.957 56.400 -0.118 0.000 0.811 209 E CB -0.272 29.415 29.700 -0.021 0.000 0.746 209 E HN 1.036 nan 8.360 nan 0.000 0.466 210 F N 0.002 119.893 119.950 -0.098 0.000 2.307 210 F HA -0.080 4.687 4.527 0.400 0.000 0.301 210 F C 1.667 177.414 175.800 -0.088 0.000 1.076 210 F CA 0.755 58.706 58.000 -0.081 0.000 1.383 210 F CB -0.352 38.603 39.000 -0.074 0.000 1.055 210 F HN -0.122 nan 8.300 nan 0.000 0.526 211 L N 0.401 121.169 121.223 -0.759 0.000 2.592 211 L HA 0.083 4.664 4.340 0.402 0.000 0.227 211 L C 2.418 179.145 176.870 -0.239 0.000 1.127 211 L CA 0.178 54.693 54.840 -0.541 0.000 0.884 211 L CB -0.611 40.978 42.059 -0.784 0.000 1.065 211 L HN 0.323 nan 8.230 nan 0.000 0.457 212 Q N 1.324 121.022 119.800 -0.169 0.000 2.096 212 Q HA -0.218 4.363 4.340 0.402 0.000 0.208 212 Q C -0.577 175.414 176.000 -0.015 0.000 0.993 212 Q CA 2.091 57.855 55.803 -0.065 0.000 0.862 212 Q CB -0.546 28.167 28.738 -0.040 0.000 0.915 212 Q HN 0.320 nan 8.270 nan 0.000 0.416 213 P HA -0.166 nan 4.420 nan 0.000 0.216 213 P C 1.173 178.497 177.300 0.040 0.000 1.150 213 P CA 0.891 64.000 63.100 0.015 0.000 0.837 213 P CB -0.072 31.627 31.700 -0.001 0.000 0.786 214 L N 0.287 121.509 121.223 -0.002 0.000 2.044 214 L HA -0.086 4.495 4.340 0.402 0.000 0.205 214 L C 2.324 179.242 176.870 0.080 0.000 1.075 214 L CA 1.932 56.787 54.840 0.024 0.000 0.747 214 L CB -1.174 40.838 42.059 -0.079 0.000 0.903 214 L HN -0.210 nan 8.230 nan 0.000 0.435 215 K N -0.348 120.087 120.400 0.059 0.000 2.044 215 K HA -0.307 4.254 4.320 0.402 0.000 0.210 215 K C 2.140 178.825 176.600 0.141 0.000 1.049 215 K CA 2.183 58.524 56.287 0.090 0.000 0.927 215 K CB -0.291 32.279 32.500 0.115 0.000 0.713 215 K HN 0.560 nan 8.250 nan 0.000 0.443 216 E N -0.627 119.642 120.200 0.116 0.000 2.077 216 E HA -0.255 4.336 4.350 0.402 0.000 0.193 216 E C 2.017 178.698 176.600 0.135 0.000 0.989 216 E CA 1.320 57.787 56.400 0.111 0.000 0.800 216 E CB -0.316 29.436 29.700 0.086 0.000 0.746 216 E HN 0.484 nan 8.360 nan 0.000 0.452 217 Y N 1.130 121.448 120.300 0.029 0.000 2.145 217 Y HA -0.175 4.616 4.550 0.401 0.000 0.286 217 Y C 1.909 177.838 175.900 0.049 0.000 1.145 217 Y CA 1.745 59.863 58.100 0.031 0.000 1.148 217 Y CB -0.251 38.220 38.460 0.017 0.000 0.981 217 Y HN 0.034 nan 8.280 nan 0.000 0.507 218 L N 0.005 121.256 121.223 0.046 0.000 2.265 218 L HA -0.120 4.461 4.340 0.402 0.000 0.215 218 L C 2.191 179.092 176.870 0.052 0.000 1.117 218 L CA 0.667 55.503 54.840 -0.006 0.000 0.782 218 L CB -1.139 40.936 42.059 0.027 0.000 0.914 218 L HN 0.538 nan 8.230 nan 0.000 0.441 219 A N 0.572 123.433 122.820 0.067 0.000 5.195 219 A HA -0.361 4.201 4.320 0.402 0.000 0.339 219 A C 1.372 178.927 177.584 -0.047 0.000 1.740 219 A CA 2.040 54.084 52.037 0.011 0.000 0.704 219 A CB -1.165 17.806 19.000 -0.048 0.000 1.441 219 A HN 0.445 nan 8.150 nan 0.000 0.397 220 E N 1.051 121.199 120.200 -0.086 0.000 2.419 220 E HA 0.110 4.701 4.350 0.402 0.000 0.190 220 E C 0.121 176.634 176.600 -0.146 0.000 1.040 220 E CA 0.072 56.383 56.400 -0.149 0.000 0.900 220 E CB -0.086 29.547 29.700 -0.111 0.000 1.054 220 E HN 0.548 nan 8.360 nan 0.000 0.462 221 N N 0.735 119.397 118.700 -0.063 0.000 2.268 221 N HA 0.033 5.014 4.740 0.402 0.000 0.204 221 N C -0.243 175.289 175.510 0.037 0.000 1.124 221 N CA 0.143 53.196 53.050 0.005 0.000 0.838 221 N CB 0.210 38.761 38.487 0.106 0.000 0.994 221 N HN 0.296 nan 8.380 nan 0.000 0.489 222 Y N -0.648 119.528 120.300 -0.206 0.000 2.615 222 Y HA 0.549 5.340 4.550 0.402 0.000 0.341 222 Y C -0.919 174.793 175.900 -0.314 0.000 1.089 222 Y CA -1.280 56.588 58.100 -0.386 0.000 1.049 222 Y CB 0.949 39.046 38.460 -0.604 0.000 1.296 222 Y HN -0.058 nan 8.280 nan 0.000 0.470 223 Q N 1.136 120.792 119.800 -0.239 0.000 2.590 223 Q HA 0.439 5.020 4.340 0.402 0.000 0.295 223 Q C -1.836 174.184 176.000 0.035 0.000 0.973 223 Q CA -1.361 54.360 55.803 -0.137 0.000 0.768 223 Q CB 2.643 31.276 28.738 -0.175 0.000 1.479 223 Q HN 0.779 nan 8.270 nan 0.000 0.419 224 K N 0.937 121.402 120.400 0.108 0.000 2.185 224 K HA 0.306 4.867 4.320 0.402 0.000 0.271 224 K C -0.175 176.469 176.600 0.072 0.000 1.013 224 K CA -0.372 56.021 56.287 0.176 0.000 0.943 224 K CB 0.747 33.363 32.500 0.193 0.000 0.998 224 K HN 0.634 nan 8.250 nan 0.000 0.468 225 M N 2.820 122.447 119.600 0.045 0.000 2.255 225 M HA -0.118 4.603 4.480 0.402 0.000 0.356 225 M C -0.048 175.961 176.300 -0.486 0.000 1.338 225 M CA 0.626 55.773 55.300 -0.255 0.000 0.962 225 M CB 0.070 32.388 32.600 -0.470 0.000 1.877 225 M HN 0.449 nan 8.290 nan 0.000 0.463 226 D N 3.099 123.242 120.400 -0.429 0.000 2.467 226 D HA 0.165 5.046 4.640 0.402 0.000 0.220 226 D C -0.252 175.888 176.300 -0.266 0.000 1.103 226 D CA -0.131 53.713 54.000 -0.259 0.000 0.886 226 D CB 0.323 41.063 40.800 -0.099 0.000 1.025 226 D HN 0.493 nan 8.370 nan 0.000 0.514 227 W N 1.795 123.134 121.300 0.066 0.000 3.180 227 W HA 0.032 4.931 4.660 0.399 0.000 0.254 227 W C 2.024 178.559 176.519 0.027 0.000 1.318 227 W CA 0.315 57.685 57.345 0.041 0.000 1.608 227 W CB 0.336 29.827 29.460 0.051 0.000 1.124 227 W HN 0.430 nan 8.180 nan 0.000 0.694 228 T N -3.677 110.980 114.554 0.172 0.000 3.086 228 T HA 0.312 4.904 4.350 0.402 0.000 0.250 228 T C 1.801 176.537 174.700 0.059 0.000 1.074 228 T CA 0.521 62.691 62.100 0.116 0.000 0.988 228 T CB 0.050 68.968 68.868 0.082 0.000 0.988 228 T HN 0.013 nan 8.240 nan 0.000 0.530 229 A N 1.083 123.917 122.820 0.023 0.000 1.908 229 A HA -0.068 4.494 4.320 0.402 0.000 0.218 229 A C 1.994 179.544 177.584 -0.056 0.000 1.181 229 A CA 1.624 53.636 52.037 -0.041 0.000 0.627 229 A CB -1.304 17.642 19.000 -0.091 0.000 0.818 229 A HN 0.672 nan 8.150 nan 0.000 0.445 230 Y N 0.404 120.607 120.300 -0.161 0.000 2.165 230 Y HA -0.201 4.591 4.550 0.403 0.000 0.286 230 Y C 2.915 178.753 175.900 -0.103 0.000 1.155 230 Y CA 2.980 60.964 58.100 -0.194 0.000 1.164 230 Y CB -0.689 37.654 38.460 -0.194 0.000 0.978 230 Y HN 0.447 nan 8.280 nan 0.000 0.513 231 Q N -0.022 119.787 119.800 0.015 0.000 2.291 231 Q HA -0.153 4.428 4.340 0.402 0.000 0.206 231 Q C 1.791 177.722 176.000 -0.114 0.000 0.976 231 Q CA 1.699 57.475 55.803 -0.045 0.000 0.875 231 Q CB -0.538 28.228 28.738 0.047 0.000 0.927 231 Q HN 0.588 nan 8.270 nan 0.000 0.450 232 Q N -0.827 118.905 119.800 -0.113 0.000 2.408 232 Q HA 0.290 4.871 4.340 0.402 0.000 0.205 232 Q C 0.531 176.446 176.000 -0.142 0.000 0.919 232 Q CA -0.021 55.719 55.803 -0.104 0.000 0.932 232 Q CB 0.166 28.860 28.738 -0.073 0.000 1.058 232 Q HN 0.655 nan 8.270 nan 0.000 0.517 233 L N 1.552 122.647 121.223 -0.214 0.000 2.476 233 L HA 0.066 4.648 4.340 0.402 0.000 0.264 233 L C 1.021 177.775 176.870 -0.194 0.000 1.224 233 L CA -0.153 54.556 54.840 -0.218 0.000 0.821 233 L CB 0.156 42.042 42.059 -0.288 0.000 1.101 233 L HN 0.063 nan 8.230 nan 0.000 0.488 234 T N -1.924 112.539 114.554 -0.151 0.000 2.860 234 T HA 0.152 4.743 4.350 0.402 0.000 0.299 234 T C -1.861 172.765 174.700 -0.123 0.000 1.045 234 T CA -1.536 60.492 62.100 -0.119 0.000 1.071 234 T CB 1.002 69.813 68.868 -0.094 0.000 0.985 234 T HN 0.360 nan 8.240 nan 0.000 0.537 235 P HA -0.156 nan 4.420 nan 0.000 0.216 235 P C 1.503 178.786 177.300 -0.027 0.000 1.154 235 P CA 1.354 64.418 63.100 -0.059 0.000 0.865 235 P CB 0.060 31.741 31.700 -0.033 0.000 0.789 236 E N -0.596 119.589 120.200 -0.025 0.000 2.077 236 E HA -0.221 4.371 4.350 0.402 0.000 0.193 236 E C 2.178 178.794 176.600 0.026 0.000 0.989 236 E CA 1.074 57.476 56.400 0.003 0.000 0.800 236 E CB -0.362 29.325 29.700 -0.022 0.000 0.746 236 E HN 0.439 nan 8.360 nan 0.000 0.452 237 Q N 0.356 120.133 119.800 -0.038 0.000 2.167 237 Q HA -0.162 4.420 4.340 0.402 0.000 0.202 237 Q C 2.176 178.221 176.000 0.075 0.000 0.970 237 Q CA 0.924 56.710 55.803 -0.028 0.000 0.855 237 Q CB 0.018 28.683 28.738 -0.121 0.000 0.911 237 Q HN 0.331 nan 8.270 nan 0.000 0.438 238 Q N 0.076 119.855 119.800 -0.035 0.000 2.050 238 Q HA -0.155 4.426 4.340 0.402 0.000 0.202 238 Q C 2.148 178.292 176.000 0.240 0.000 0.980 238 Q CA 1.350 57.125 55.803 -0.046 0.000 0.840 238 Q CB -0.185 28.361 28.738 -0.320 0.000 0.898 238 Q HN 0.375 nan 8.270 nan 0.000 0.424 239 A N 0.459 123.386 122.820 0.179 0.000 1.902 239 A HA -0.202 4.359 4.320 0.402 0.000 0.217 239 A C 1.861 179.577 177.584 0.221 0.000 1.181 239 A CA 1.136 53.290 52.037 0.195 0.000 0.623 239 A CB -0.815 18.268 19.000 0.139 0.000 0.818 239 A HN 0.446 nan 8.150 nan 0.000 0.443 240 F N -1.016 118.980 119.950 0.077 0.000 2.069 240 F HA -0.223 4.546 4.527 0.404 0.000 0.298 240 F C 2.180 178.030 175.800 0.083 0.000 1.113 240 F CA 2.204 60.236 58.000 0.054 0.000 1.214 240 F CB -0.512 38.491 39.000 0.006 0.000 0.978 240 F HN 0.370 nan 8.300 nan 0.000 0.474 241 Y N 0.843 121.280 120.300 0.229 0.000 2.128 241 Y HA -0.245 4.547 4.550 0.403 0.000 0.284 241 Y C 2.104 178.048 175.900 0.073 0.000 1.154 241 Y CA 1.984 60.167 58.100 0.138 0.000 1.149 241 Y CB -0.630 37.963 38.460 0.222 0.000 0.976 241 Y HN 0.084 nan 8.280 nan 0.000 0.505 242 L N -1.054 120.274 121.223 0.176 0.000 2.127 242 L HA -0.259 4.322 4.340 0.402 0.000 0.211 242 L C 2.249 179.124 176.870 0.009 0.000 1.089 242 L CA 1.825 56.721 54.840 0.094 0.000 0.757 242 L CB -0.970 41.241 42.059 0.253 0.000 0.899 242 L HN 0.232 nan 8.230 nan 0.000 0.434 243 T N 0.179 114.705 114.554 -0.046 0.000 2.857 243 T HA -0.078 4.513 4.350 0.402 0.000 0.266 243 T C 2.011 176.602 174.700 -0.183 0.000 1.048 243 T CA 0.922 62.958 62.100 -0.107 0.000 1.139 243 T CB -0.128 68.656 68.868 -0.140 0.000 0.874 243 T HN 0.196 nan 8.240 nan 0.000 0.455 244 L N 1.408 122.454 121.223 -0.295 0.000 2.083 244 L HA -0.057 4.524 4.340 0.402 0.000 0.209 244 L C 2.474 179.236 176.870 -0.180 0.000 1.083 244 L CA 1.066 55.731 54.840 -0.292 0.000 0.752 244 L CB -0.636 41.202 42.059 -0.368 0.000 0.899 244 L HN 0.264 nan 8.230 nan 0.000 0.433 245 V N -3.659 116.112 119.914 -0.238 0.000 3.649 245 V HA 0.440 4.801 4.120 0.402 0.000 0.275 245 V C 1.282 177.409 176.094 0.054 0.000 1.281 245 V CA 0.385 62.651 62.300 -0.056 0.000 1.143 245 V CB -0.286 31.383 31.823 -0.256 0.000 0.892 245 V HN 0.520 nan 8.190 nan 0.000 0.441 246 G N 0.001 108.808 108.800 0.011 0.000 2.136 246 G HA2 -0.309 3.893 3.960 0.402 0.000 0.242 246 G HA3 -0.309 3.893 3.960 0.402 0.000 0.242 246 G C -0.242 174.676 174.900 0.030 0.000 0.989 246 G CA 0.243 45.344 45.100 0.003 0.000 0.682 246 G HN 0.679 nan 8.290 nan 0.000 0.522 247 F N 2.870 122.768 119.950 -0.085 0.000 2.412 247 F HA 0.566 5.332 4.527 0.399 0.000 0.348 247 F C 0.644 176.413 175.800 -0.053 0.000 1.102 247 F CA -0.149 57.806 58.000 -0.075 0.000 1.196 247 F CB 0.624 39.574 39.000 -0.083 0.000 1.144 247 F HN 0.418 nan 8.300 nan 0.000 0.541 248 N N 2.866 121.242 118.700 -0.539 0.000 2.647 248 N HA 0.184 5.165 4.740 0.402 0.000 0.266 248 N C -0.611 174.638 175.510 -0.435 0.000 1.373 248 N CA -0.822 52.038 53.050 -0.318 0.000 0.807 248 N CB 1.325 39.696 38.487 -0.194 0.000 1.513 248 N HN 0.360 nan 8.380 nan 0.000 0.505 249 D N 0.449 120.731 120.400 -0.197 0.000 2.178 249 D HA -0.169 4.712 4.640 0.402 0.000 0.201 249 D C 1.425 177.632 176.300 -0.156 0.000 0.980 249 D CA 1.245 55.164 54.000 -0.135 0.000 0.842 249 D CB 0.053 40.826 40.800 -0.045 0.000 0.948 249 D HN 0.730 nan 8.370 nan 0.000 0.472 250 E N 0.396 120.500 120.200 -0.160 0.000 2.051 250 E HA -0.144 4.447 4.350 0.402 0.000 0.192 250 E C 1.992 178.503 176.600 -0.148 0.000 0.991 250 E CA 0.866 57.193 56.400 -0.122 0.000 0.799 250 E CB 0.160 29.801 29.700 -0.099 0.000 0.748 250 E HN 0.011 nan 8.360 nan 0.000 0.449 251 V N 1.628 121.383 119.914 -0.265 0.000 2.295 251 V HA -0.275 4.086 4.120 0.402 0.000 0.246 251 V C 2.563 178.499 176.094 -0.264 0.000 1.049 251 V CA 2.204 64.330 62.300 -0.290 0.000 1.024 251 V CB -0.657 30.892 31.823 -0.458 0.000 0.648 251 V HN 0.319 nan 8.190 nan 0.000 0.447 252 K N -0.043 120.121 120.400 -0.393 0.000 2.034 252 K HA -0.306 4.255 4.320 0.402 0.000 0.214 252 K C 2.252 178.846 176.600 -0.011 0.000 1.051 252 K CA 2.287 58.525 56.287 -0.082 0.000 0.931 252 K CB -0.235 32.273 32.500 0.014 0.000 0.715 252 K HN 0.534 nan 8.250 nan 0.000 0.446 253 Q N 0.057 119.839 119.800 -0.030 0.000 2.124 253 Q HA -0.144 4.438 4.340 0.402 0.000 0.202 253 Q C 2.235 178.256 176.000 0.035 0.000 0.977 253 Q CA 1.805 57.611 55.803 0.006 0.000 0.850 253 Q CB -0.091 28.644 28.738 -0.005 0.000 0.901 253 Q HN 0.521 nan 8.270 nan 0.000 0.429 254 S N 0.466 116.191 115.700 0.041 0.000 2.399 254 S HA -0.114 4.597 4.470 0.402 0.000 0.231 254 S C 1.696 176.420 174.600 0.206 0.000 1.022 254 S CA 0.880 59.157 58.200 0.130 0.000 0.983 254 S CB -0.213 63.078 63.200 0.153 0.000 0.803 254 S HN 0.334 nan 8.310 nan 0.000 0.480 255 L N 0.499 121.769 121.223 0.079 0.000 2.592 255 L HA 0.332 4.913 4.340 0.402 0.000 0.227 255 L C 1.916 178.791 176.870 0.009 0.000 1.127 255 L CA 0.353 55.178 54.840 -0.026 0.000 0.884 255 L CB -0.065 41.928 42.059 -0.110 0.000 1.065 255 L HN 0.344 nan 8.230 nan 0.000 0.457 256 E N -0.823 119.407 120.200 0.050 0.000 2.498 256 E HA 0.087 4.678 4.350 0.402 0.000 0.203 256 E C 0.347 176.982 176.600 0.059 0.000 1.013 256 E CA -0.234 56.193 56.400 0.045 0.000 0.927 256 E CB 0.859 30.584 29.700 0.040 0.000 1.012 256 E HN 0.085 nan 8.360 nan 0.000 0.482 257 V N 2.921 122.887 119.914 0.088 0.000 2.752 257 V HA -0.149 4.213 4.120 0.402 0.000 0.306 257 V C 0.748 176.890 176.094 0.080 0.000 1.099 257 V CA 0.778 63.133 62.300 0.092 0.000 1.240 257 V CB 0.435 32.342 31.823 0.139 0.000 0.887 257 V HN 0.253 nan 8.190 nan 0.000 0.499 258 Q N 5.253 125.089 119.800 0.061 0.000 2.553 258 Q HA 0.334 4.915 4.340 0.402 0.000 0.221 258 Q C -0.211 175.823 176.000 0.056 0.000 1.219 258 Q CA 0.353 56.186 55.803 0.051 0.000 0.955 258 Q CB 0.489 29.248 28.738 0.036 0.000 1.399 258 Q HN 0.838 nan 8.270 nan 0.000 0.551 259 Q N -0.060 119.784 119.800 0.072 0.000 2.617 259 Q HA 0.511 5.092 4.340 0.402 0.000 0.270 259 Q C -1.628 174.430 176.000 0.097 0.000 0.967 259 Q CA -0.460 55.389 55.803 0.077 0.000 0.887 259 Q CB 1.312 30.105 28.738 0.092 0.000 1.516 259 Q HN 0.526 nan 8.270 nan 0.000 0.395 260 A N 2.955 125.812 122.820 0.061 0.000 2.540 260 A HA 0.344 4.905 4.320 0.402 0.000 0.239 260 A C -0.775 176.951 177.584 0.238 0.000 1.061 260 A CA 0.437 52.511 52.037 0.061 0.000 0.758 260 A CB 0.199 19.079 19.000 -0.200 0.000 0.991 260 A HN 0.570 nan 8.150 nan 0.000 0.502 261 K N 0.723 121.351 120.400 0.380 0.000 2.316 261 K HA 0.569 5.130 4.320 0.402 0.000 0.251 261 K C -1.445 175.438 176.600 0.472 0.000 0.934 261 K CA -0.287 56.265 56.287 0.441 0.000 0.802 261 K CB 2.304 34.929 32.500 0.208 0.000 1.171 261 K HN 0.583 nan 8.250 nan 0.000 0.426 262 F N 3.583 123.689 119.950 0.260 0.000 2.493 262 F HA 0.506 5.275 4.527 0.403 0.000 0.329 262 F C -1.097 174.796 175.800 0.155 0.000 1.126 262 F CA -0.875 57.145 58.000 0.033 0.000 0.937 262 F CB 0.826 39.706 39.000 -0.201 0.000 1.146 262 F HN 0.369 nan 8.300 nan 0.000 0.442 263 I N 7.140 127.363 120.570 -0.579 0.000 2.339 263 I HA 0.215 4.626 4.170 0.402 0.000 0.290 263 I C -1.018 174.630 176.117 -0.781 0.000 0.994 263 I CA -0.790 60.276 61.300 -0.390 0.000 1.191 263 I CB 1.191 39.098 38.000 -0.155 0.000 1.343 263 I HN 0.520 nan 8.210 nan 0.000 0.458 264 F N 6.862 126.542 119.950 -0.449 0.000 2.411 264 F HA 0.329 5.098 4.527 0.402 0.000 0.355 264 F C 0.630 176.458 175.800 0.048 0.000 1.117 264 F CA -0.552 57.331 58.000 -0.195 0.000 1.139 264 F CB 0.899 40.042 39.000 0.239 0.000 1.120 264 F HN 0.444 nan 8.300 nan 0.000 0.493 265 T N 3.139 117.346 114.554 -0.578 0.000 2.799 265 T HA 0.718 5.310 4.350 0.402 0.000 0.286 265 T C 0.332 174.748 174.700 -0.473 0.000 0.973 265 T CA -0.513 61.332 62.100 -0.427 0.000 1.035 265 T CB 1.189 69.831 68.868 -0.376 0.000 0.932 265 T HN 0.821 nan 8.240 nan 0.000 0.469 266 G N 0.968 109.660 108.800 -0.181 0.000 2.502 266 G HA2 0.567 4.769 3.960 0.402 0.000 0.305 266 G HA3 0.567 4.769 3.960 0.402 0.000 0.305 266 G C -0.464 174.497 174.900 0.101 0.000 1.190 266 G CA -0.573 44.576 45.100 0.081 0.000 0.933 266 G HN 0.926 nan 8.290 nan 0.000 0.503 267 T N -2.051 112.609 114.554 0.177 0.000 2.773 267 T HA 0.734 5.325 4.350 0.402 0.000 0.278 267 T C -0.393 174.318 174.700 0.018 0.000 1.011 267 T CA -0.295 61.871 62.100 0.110 0.000 1.014 267 T CB 1.938 70.836 68.868 0.050 0.000 1.293 267 T HN 0.719 nan 8.240 nan 0.000 0.554 268 T N -0.225 114.149 114.554 -0.301 0.000 2.812 268 T HA 0.656 5.247 4.350 0.402 0.000 0.294 268 T C -1.304 173.007 174.700 -0.648 0.000 1.159 268 T CA -0.393 61.421 62.100 -0.476 0.000 1.008 268 T CB 1.740 70.101 68.868 -0.845 0.000 1.289 268 T HN 0.715 nan 8.240 nan 0.000 0.514 269 T N 0.271 114.343 114.554 -0.803 0.000 2.887 269 T HA 0.482 5.074 4.350 0.402 0.000 0.288 269 T C -0.172 174.079 174.700 -0.749 0.000 1.021 269 T CA -0.606 60.942 62.100 -0.920 0.000 1.000 269 T CB 0.884 69.061 68.868 -1.152 0.000 1.034 269 T HN 0.718 nan 8.240 nan 0.000 0.467 270 W N 1.618 122.830 121.300 -0.146 0.000 3.047 270 W HA 0.247 4.902 4.660 -0.009 0.000 0.250 270 W C 1.034 177.516 176.519 -0.062 0.000 1.314 270 W CA -0.733 56.567 57.345 -0.075 0.000 1.540 270 W CB 0.238 29.680 29.460 -0.031 0.000 1.127 270 W HN 0.498 nan 8.180 nan 0.000 0.679 271 E N 0.269 120.489 120.200 0.033 0.000 2.373 271 E HA 0.105 4.696 4.350 0.402 0.000 0.267 271 E C 1.200 177.809 176.600 0.015 0.000 1.032 271 E CA 0.163 56.578 56.400 0.026 0.000 0.889 271 E CB 1.346 31.036 29.700 -0.017 0.000 0.984 271 E HN 0.177 nan 8.360 nan 0.000 0.425 272 G N 2.857 111.680 108.800 0.038 0.000 2.662 272 G HA2 -0.149 4.052 3.960 0.402 0.000 0.212 272 G HA3 -0.149 4.052 3.960 0.402 0.000 0.212 272 G C 0.722 175.636 174.900 0.023 0.000 1.141 272 G CA -0.227 44.893 45.100 0.034 0.000 0.797 272 G HN 0.464 nan 8.290 nan 0.000 0.531 273 N N 0.838 119.551 118.700 0.022 0.000 2.359 273 N HA 0.037 5.018 4.740 0.402 0.000 0.261 273 N C 1.558 177.081 175.510 0.022 0.000 1.267 273 N CA 0.615 53.678 53.050 0.022 0.000 0.864 273 N CB 0.716 39.216 38.487 0.023 0.000 1.063 273 N HN -0.060 nan 8.380 nan 0.000 0.474 274 T N 2.122 116.690 114.554 0.024 0.000 2.746 274 T HA -0.132 4.460 4.350 0.402 0.000 0.267 274 T C 0.801 175.521 174.700 0.033 0.000 1.039 274 T CA 1.260 63.375 62.100 0.025 0.000 1.142 274 T CB -0.217 68.665 68.868 0.023 0.000 0.866 274 T HN 0.555 nan 8.240 nan 0.000 0.444 275 D N 0.830 121.251 120.400 0.035 0.000 2.123 275 D HA -0.067 4.814 4.640 0.402 0.000 0.196 275 D C 2.257 178.610 176.300 0.088 0.000 0.992 275 D CA 0.692 54.720 54.000 0.046 0.000 0.833 275 D CB -0.500 40.315 40.800 0.025 0.000 0.954 275 D HN 0.220 nan 8.370 nan 0.000 0.455 276 V N 1.010 120.973 119.914 0.082 0.000 2.307 276 V HA -0.195 4.166 4.120 0.402 0.000 0.245 276 V C 2.459 178.676 176.094 0.205 0.000 1.045 276 V CA 1.499 63.889 62.300 0.150 0.000 1.024 276 V CB -0.343 31.528 31.823 0.080 0.000 0.651 276 V HN 0.133 nan 8.190 nan 0.000 0.449 277 R N -0.146 120.398 120.500 0.074 0.000 2.096 277 R HA -0.150 4.431 4.340 0.402 0.000 0.235 277 R C 2.273 178.608 176.300 0.058 0.000 1.127 277 R CA 1.503 57.627 56.100 0.039 0.000 0.968 277 R CB -0.270 30.026 30.300 -0.006 0.000 0.861 277 R HN 0.617 nan 8.270 nan 0.000 0.440 278 E N -0.172 120.050 120.200 0.036 0.000 2.072 278 E HA -0.213 4.378 4.350 0.402 0.000 0.191 278 E C 1.685 178.245 176.600 -0.067 0.000 0.985 278 E CA 1.048 57.413 56.400 -0.057 0.000 0.801 278 E CB -0.137 29.546 29.700 -0.029 0.000 0.750 278 E HN 0.319 nan 8.360 nan 0.000 0.452 279 Y N 0.318 120.587 120.300 -0.051 0.000 2.145 279 Y HA -0.328 4.459 4.550 0.394 0.000 0.286 279 Y C 1.925 177.738 175.900 -0.146 0.000 1.145 279 Y CA 1.672 59.722 58.100 -0.082 0.000 1.148 279 Y CB -0.383 38.081 38.460 0.007 0.000 0.981 279 Y HN 0.030 nan 8.280 nan 0.000 0.507 280 Y N -0.132 120.137 120.300 -0.052 0.000 2.128 280 Y HA -0.289 4.527 4.550 0.443 0.000 0.284 280 Y C 2.704 178.470 175.900 -0.223 0.000 1.154 280 Y CA 1.719 59.785 58.100 -0.057 0.000 1.149 280 Y CB -1.149 37.432 38.460 0.203 0.000 0.976 280 Y HN 0.268 nan 8.280 nan 0.000 0.505 281 A N -0.349 122.413 122.820 -0.095 0.000 1.877 281 A HA -0.258 4.303 4.320 0.402 0.000 0.216 281 A C 2.110 179.427 177.584 -0.444 0.000 1.186 281 A CA 1.864 53.738 52.037 -0.272 0.000 0.620 281 A CB -0.762 17.924 19.000 -0.523 0.000 0.822 281 A HN 0.555 nan 8.150 nan 0.000 0.443 282 Q N -0.871 118.581 119.800 -0.580 0.000 2.061 282 Q HA -0.210 4.372 4.340 0.402 0.000 0.204 282 Q C 2.376 178.141 176.000 -0.391 0.000 0.984 282 Q CA 1.610 57.184 55.803 -0.382 0.000 0.846 282 Q CB -0.203 28.331 28.738 -0.341 0.000 0.902 282 Q HN 0.587 nan 8.270 nan 0.000 0.421 283 Q N 0.409 119.753 119.800 -0.761 0.000 2.124 283 Q HA -0.208 4.374 4.340 0.402 0.000 0.202 283 Q C 1.927 177.560 176.000 -0.612 0.000 0.977 283 Q CA 1.424 56.607 55.803 -1.033 0.000 0.850 283 Q CB -0.241 27.176 28.738 -2.202 0.000 0.901 283 Q HN 0.484 nan 8.270 nan 0.000 0.429 284 Q N 0.146 119.725 119.800 -0.368 0.000 2.119 284 Q HA -0.142 4.439 4.340 0.402 0.000 0.201 284 Q C 2.084 178.217 176.000 0.221 0.000 0.972 284 Q CA 0.805 56.756 55.803 0.246 0.000 0.847 284 Q CB -0.039 28.970 28.738 0.451 0.000 0.903 284 Q HN 0.265 nan 8.270 nan 0.000 0.433 285 L N 1.323 122.603 121.223 0.096 0.000 2.046 285 L HA -0.199 4.383 4.340 0.402 0.000 0.208 285 L C 2.037 178.895 176.870 -0.020 0.000 1.077 285 L CA 2.015 56.881 54.840 0.043 0.000 0.747 285 L CB -0.851 41.297 42.059 0.149 0.000 0.896 285 L HN 0.344 nan 8.230 nan 0.000 0.432 286 N N -0.466 118.220 118.700 -0.024 0.000 2.104 286 N HA -0.242 4.739 4.740 0.402 0.000 0.190 286 N C 2.048 177.624 175.510 0.109 0.000 1.024 286 N CA 1.649 54.700 53.050 0.002 0.000 0.853 286 N CB -0.126 38.332 38.487 -0.047 0.000 1.008 286 N HN 0.498 nan 8.380 nan 0.000 0.424 287 L N 0.892 122.194 121.223 0.133 0.000 1.994 287 L HA -0.189 4.392 4.340 0.402 0.000 0.208 287 L C 2.570 179.569 176.870 0.216 0.000 1.071 287 L CA 1.063 56.055 54.840 0.253 0.000 0.745 287 L CB -0.494 41.870 42.059 0.508 0.000 0.892 287 L HN 0.250 nan 8.230 nan 0.000 0.431 288 L N 0.826 121.974 121.223 -0.124 0.000 2.021 288 L HA -0.314 4.267 4.340 0.402 0.000 0.215 288 L C 2.190 178.989 176.870 -0.118 0.000 1.074 288 L CA 2.018 56.540 54.840 -0.530 0.000 0.760 288 L CB -0.928 40.604 42.059 -0.878 0.000 0.889 288 L HN 0.339 nan 8.230 nan 0.000 0.433 289 N N -1.242 117.401 118.700 -0.095 0.000 2.223 289 N HA -0.180 4.801 4.740 0.402 0.000 0.185 289 N C 1.849 177.287 175.510 -0.120 0.000 1.016 289 N CA 1.296 54.282 53.050 -0.106 0.000 0.863 289 N CB -0.513 37.887 38.487 -0.145 0.000 0.983 289 N HN 0.574 nan 8.380 nan 0.000 0.429 290 H N -0.907 118.108 119.070 -0.091 0.000 2.456 290 H HA -0.028 4.769 4.556 0.401 0.000 0.296 290 H C 1.379 176.612 175.328 -0.158 0.000 1.079 290 H CA 0.898 56.854 56.048 -0.154 0.000 1.322 290 H CB -0.021 29.600 29.762 -0.235 0.000 1.388 290 H HN 0.227 nan 8.280 nan 0.000 0.538 291 F N 0.209 120.191 119.950 0.053 0.000 2.219 291 F HA -0.106 4.661 4.527 0.400 0.000 0.294 291 F C 2.789 178.545 175.800 -0.074 0.000 1.086 291 F CA 1.542 59.503 58.000 -0.066 0.000 1.330 291 F CB -0.237 38.662 39.000 -0.169 0.000 1.047 291 F HN 0.139 nan 8.300 nan 0.000 0.495 292 T N -3.437 111.202 114.554 0.143 0.000 3.037 292 T HA 0.100 4.691 4.350 0.402 0.000 0.252 292 T C 0.753 175.567 174.700 0.190 0.000 1.073 292 T CA -0.007 62.168 62.100 0.125 0.000 1.091 292 T CB -0.012 68.879 68.868 0.037 0.000 0.935 292 T HN -0.137 nan 8.240 nan 0.000 0.488 293 Q N 0.655 120.479 119.800 0.040 0.000 2.241 293 Q HA 0.679 5.260 4.340 0.402 0.000 0.254 293 Q C 1.287 176.976 176.000 -0.519 0.000 0.917 293 Q CA 0.051 55.753 55.803 -0.168 0.000 0.919 293 Q CB 1.540 30.158 28.738 -0.199 0.000 1.237 293 Q HN 0.308 nan 8.270 nan 0.000 0.434 294 A N 2.993 125.306 122.820 -0.845 0.000 1.958 294 A HA -0.237 4.324 4.320 0.402 0.000 0.221 294 A C 1.505 178.609 177.584 -0.799 0.000 1.178 294 A CA 2.092 53.296 52.037 -1.389 0.000 0.642 294 A CB -0.237 18.329 19.000 -0.725 0.000 0.816 294 A HN 0.771 nan 8.150 nan 0.000 0.453 295 E N 0.516 120.447 120.200 -0.448 0.000 2.489 295 E HA 0.118 4.709 4.350 0.402 0.000 0.193 295 E C 0.941 177.408 176.600 -0.221 0.000 1.057 295 E CA 0.434 56.673 56.400 -0.269 0.000 0.866 295 E CB -0.836 28.738 29.700 -0.211 0.000 0.916 295 E HN 0.384 nan 8.360 nan 0.000 0.500 296 G N 1.455 110.105 108.800 -0.249 0.000 2.554 296 G HA2 -0.047 4.154 3.960 0.402 0.000 0.238 296 G HA3 -0.047 4.154 3.960 0.402 0.000 0.238 296 G C 0.010 174.927 174.900 0.028 0.000 1.259 296 G CA -0.206 44.782 45.100 -0.188 0.000 0.843 296 G HN -0.073 nan 8.290 nan 0.000 0.582 297 D N 0.349 120.876 120.400 0.211 0.000 2.219 297 D HA -0.068 4.814 4.640 0.402 0.000 0.205 297 D C 1.943 178.209 176.300 -0.056 0.000 0.970 297 D CA 0.918 54.962 54.000 0.075 0.000 0.851 297 D CB 0.126 40.934 40.800 0.013 0.000 0.943 297 D HN 0.300 nan 8.370 nan 0.000 0.488 298 L N -0.120 121.034 121.223 -0.116 0.000 2.965 298 L HA 0.238 4.819 4.340 0.402 0.000 0.254 298 L C 0.086 176.976 176.870 0.034 0.000 1.220 298 L CA -0.739 53.953 54.840 -0.248 0.000 1.023 298 L CB -0.030 41.557 42.059 -0.788 0.000 1.355 298 L HN -0.156 nan 8.230 nan 0.000 0.545 299 F N 2.876 122.795 119.950 -0.051 0.000 2.569 299 F HA -0.072 4.696 4.527 0.401 0.000 0.395 299 F C 1.432 177.246 175.800 0.023 0.000 1.028 299 F CA -0.275 57.714 58.000 -0.019 0.000 1.158 299 F CB 0.502 39.492 39.000 -0.018 0.000 1.023 299 F HN 0.157 nan 8.300 nan 0.000 0.547 300 I N 3.200 123.461 120.570 -0.514 0.000 3.059 300 I HA 0.416 4.827 4.170 0.402 0.000 0.270 300 I C 0.922 176.691 176.117 -0.580 0.000 1.238 300 I CA 0.588 61.575 61.300 -0.522 0.000 1.478 300 I CB -0.773 36.804 38.000 -0.706 0.000 1.097 300 I HN 0.787 nan 8.210 nan 0.000 0.455 301 G N 1.418 109.431 108.800 -1.312 0.000 2.576 301 G HA2 -0.157 4.044 3.960 0.402 0.000 0.686 301 G HA3 -0.157 4.044 3.960 0.402 0.000 0.686 301 G C -0.457 174.272 174.900 -0.285 0.000 1.242 301 G CA -0.129 44.547 45.100 -0.707 0.000 0.819 301 G HN 0.169 nan 8.290 nan 0.000 0.655 302 D N 0.124 120.581 120.400 0.096 0.000 2.312 302 D HA -0.070 4.811 4.640 0.402 0.000 0.211 302 D C 1.911 178.277 176.300 0.110 0.000 0.964 302 D CA 1.305 55.425 54.000 0.199 0.000 0.877 302 D CB -0.016 40.934 40.800 0.250 0.000 0.924 302 D HN 0.716 nan 8.370 nan 0.000 0.515 303 H N -1.309 117.764 119.070 0.005 0.000 2.547 303 H HA -0.008 4.790 4.556 0.403 0.000 0.266 303 H C -0.056 175.204 175.328 -0.114 0.000 0.988 303 H CA -0.130 55.868 56.048 -0.083 0.000 1.147 303 H CB -0.629 29.029 29.762 -0.173 0.000 1.365 303 H HN 0.093 nan 8.280 nan 0.000 0.589 304 Y N 2.238 122.364 120.300 -0.291 0.000 2.304 304 Y HA 0.175 4.967 4.550 0.403 0.000 0.328 304 Y C 0.876 176.789 175.900 0.023 0.000 1.123 304 Y CA -0.459 57.561 58.100 -0.134 0.000 1.218 304 Y CB 1.188 39.548 38.460 -0.166 0.000 1.207 304 Y HN -0.008 nan 8.280 nan 0.000 0.495 305 K N 4.238 124.798 120.400 0.267 0.000 2.276 305 K HA 0.286 4.847 4.320 0.402 0.000 0.283 305 K C -1.094 175.685 176.600 0.299 0.000 1.044 305 K CA -0.485 55.928 56.287 0.209 0.000 0.944 305 K CB 0.361 32.978 32.500 0.194 0.000 1.012 305 K HN 0.516 nan 8.250 nan 0.000 0.472 306 I N 5.496 126.160 120.570 0.158 0.000 2.331 306 I HA 0.214 4.625 4.170 0.402 0.000 0.292 306 I C -0.383 175.784 176.117 0.084 0.000 0.998 306 I CA -0.472 60.980 61.300 0.253 0.000 1.267 306 I CB 0.258 38.383 38.000 0.208 0.000 1.386 306 I HN 0.585 nan 8.210 nan 0.000 0.476 307 Y N 5.244 125.667 120.300 0.206 0.000 2.549 307 Y HA 0.494 5.284 4.550 0.400 0.000 0.339 307 Y C -0.408 175.662 175.900 0.284 0.000 1.053 307 Y CA -0.886 57.321 58.100 0.179 0.000 1.105 307 Y CB 2.416 40.931 38.460 0.092 0.000 1.258 307 Y HN 0.404 nan 8.280 nan 0.000 0.478 308 F N 2.909 123.012 119.950 0.254 0.000 2.449 308 F HA 0.517 5.280 4.527 0.394 0.000 0.342 308 F C -0.842 175.058 175.800 0.167 0.000 1.127 308 F CA -1.665 56.476 58.000 0.235 0.000 0.975 308 F CB 1.183 40.313 39.000 0.216 0.000 1.146 308 F HN 0.276 nan 8.300 nan 0.000 0.444 309 K N 4.954 125.174 120.400 -0.301 0.000 2.419 309 K HA 0.546 5.108 4.320 0.402 0.000 0.244 309 K C -0.012 176.113 176.600 -0.792 0.000 1.045 309 K CA -0.313 55.720 56.287 -0.424 0.000 1.004 309 K CB 0.597 33.023 32.500 -0.123 0.000 1.376 309 K HN 0.758 nan 8.250 nan 0.000 0.460 310 G N 1.951 110.055 108.800 -1.159 0.000 2.606 310 G HA2 0.025 4.226 3.960 0.402 0.000 0.252 310 G HA3 0.025 4.226 3.960 0.402 0.000 0.252 310 G C -0.724 174.006 174.900 -0.283 0.000 1.206 310 G CA -0.417 44.159 45.100 -0.874 0.000 0.861 310 G HN 0.725 nan 8.290 nan 0.000 0.561 311 H N 1.656 120.646 119.070 -0.133 0.000 2.848 311 H HA 0.064 4.870 4.556 0.417 0.000 0.341 311 H C -1.319 173.986 175.328 -0.038 0.000 1.060 311 H CA -1.215 54.798 56.048 -0.058 0.000 1.444 311 H CB 1.715 31.462 29.762 -0.024 0.000 1.446 311 H HN 0.085 nan 8.280 nan 0.000 0.583 312 P HA -0.131 nan 4.420 nan 0.000 0.218 312 P C 0.761 178.131 177.300 0.116 0.000 1.146 312 P CA 1.286 64.328 63.100 -0.097 0.000 0.813 312 P CB 0.364 31.953 31.700 -0.186 0.000 0.778 313 R N -1.441 119.317 120.500 0.429 0.000 2.546 313 R HA 0.301 4.882 4.340 0.402 0.000 0.320 313 R C 1.906 178.314 176.300 0.180 0.000 1.021 313 R CA 0.227 56.531 56.100 0.339 0.000 1.088 313 R CB -0.958 29.643 30.300 0.501 0.000 1.278 313 R HN 0.168 nan 8.270 nan 0.000 0.557 314 G N 0.761 109.674 108.800 0.189 0.000 2.432 314 G HA2 -0.086 4.115 3.960 0.402 0.000 0.219 314 G HA3 -0.086 4.115 3.960 0.402 0.000 0.219 314 G C 1.060 176.022 174.900 0.103 0.000 1.135 314 G CA 0.813 45.980 45.100 0.111 0.000 0.767 314 G HN 0.495 nan 8.290 nan 0.000 0.550 315 G N 1.175 110.043 108.800 0.113 0.000 2.629 315 G HA2 -0.430 3.771 3.960 0.402 0.000 0.313 315 G HA3 -0.430 3.771 3.960 0.402 0.000 0.313 315 G C 1.310 176.280 174.900 0.117 0.000 1.217 315 G CA 1.159 46.318 45.100 0.099 0.000 0.994 315 G HN 0.782 nan 8.290 nan 0.000 0.549 316 E N 1.466 121.727 120.200 0.100 0.000 2.418 316 E HA 0.004 4.595 4.350 0.402 0.000 0.197 316 E C 2.643 179.335 176.600 0.153 0.000 1.026 316 E CA 1.475 57.945 56.400 0.117 0.000 0.862 316 E CB -0.188 29.567 29.700 0.092 0.000 0.799 316 E HN 0.745 nan 8.360 nan 0.000 0.518 317 I N 1.284 121.940 120.570 0.143 0.000 2.315 317 I HA -0.242 4.170 4.170 0.402 0.000 0.248 317 I C 1.941 178.230 176.117 0.286 0.000 1.117 317 I CA 0.983 62.392 61.300 0.181 0.000 1.404 317 I CB -0.390 37.705 38.000 0.157 0.000 1.071 317 I HN 0.046 nan 8.210 nan 0.000 0.419 318 N N 1.060 119.950 118.700 0.317 0.000 2.084 318 N HA -0.174 4.808 4.740 0.402 0.000 0.190 318 N C 1.421 177.132 175.510 0.336 0.000 1.030 318 N CA 1.418 54.754 53.050 0.476 0.000 0.849 318 N CB -0.525 38.200 38.487 0.397 0.000 1.012 318 N HN 0.289 nan 8.380 nan 0.000 0.423 319 D N -0.067 120.473 120.400 0.233 0.000 2.123 319 D HA -0.176 4.705 4.640 0.402 0.000 0.196 319 D C 1.804 178.184 176.300 0.133 0.000 0.992 319 D CA 0.761 54.858 54.000 0.161 0.000 0.833 319 D CB -0.556 40.322 40.800 0.131 0.000 0.954 319 D HN 0.320 nan 8.370 nan 0.000 0.455 320 Y N 1.213 121.536 120.300 0.038 0.000 2.165 320 Y HA -0.227 4.565 4.550 0.404 0.000 0.286 320 Y C 2.150 178.011 175.900 -0.065 0.000 1.155 320 Y CA 1.192 59.289 58.100 -0.004 0.000 1.164 320 Y CB -0.107 38.359 38.460 0.011 0.000 0.978 320 Y HN -0.095 nan 8.280 nan 0.000 0.513 321 I N -0.014 120.550 120.570 -0.011 0.000 2.127 321 I HA -0.338 4.074 4.170 0.402 0.000 0.241 321 I C 2.422 178.383 176.117 -0.260 0.000 1.075 321 I CA 1.586 62.718 61.300 -0.280 0.000 1.334 321 I CB -1.533 35.980 38.000 -0.812 0.000 1.040 321 I HN 0.321 nan 8.210 nan 0.000 0.405 322 L N 0.481 121.615 121.223 -0.149 0.000 2.083 322 L HA -0.217 4.364 4.340 0.402 0.000 0.209 322 L C 2.180 178.999 176.870 -0.087 0.000 1.083 322 L CA 1.197 55.999 54.840 -0.063 0.000 0.752 322 L CB -0.735 41.353 42.059 0.049 0.000 0.899 322 L HN 0.326 nan 8.230 nan 0.000 0.433 323 N N -0.105 118.527 118.700 -0.113 0.000 2.331 323 N HA -0.102 4.879 4.740 0.402 0.000 0.180 323 N C 1.333 176.724 175.510 -0.199 0.000 1.019 323 N CA 0.912 53.880 53.050 -0.137 0.000 0.881 323 N CB -0.102 38.306 38.487 -0.133 0.000 0.972 323 N HN 0.429 nan 8.380 nan 0.000 0.435 324 N N -0.295 118.237 118.700 -0.280 0.000 2.227 324 N HA 0.146 5.127 4.740 0.402 0.000 0.196 324 N C 0.237 175.617 175.510 -0.216 0.000 1.142 324 N CA -0.055 52.813 53.050 -0.304 0.000 0.887 324 N CB 1.138 39.311 38.487 -0.523 0.000 1.022 324 N HN 0.061 nan 8.380 nan 0.000 0.500 325 A N 1.606 124.311 122.820 -0.192 0.000 2.246 325 A HA 0.549 5.110 4.320 0.402 0.000 0.291 325 A C 0.189 177.708 177.584 -0.108 0.000 1.103 325 A CA -0.238 51.709 52.037 -0.151 0.000 0.844 325 A CB 0.654 19.555 19.000 -0.165 0.000 1.136 325 A HN 0.167 nan 8.150 nan 0.000 0.500 326 K N -0.275 120.076 120.400 -0.083 0.000 2.482 326 K HA 0.482 5.043 4.320 0.402 0.000 0.257 326 K C -0.953 175.621 176.600 -0.044 0.000 0.969 326 K CA -1.036 55.215 56.287 -0.060 0.000 0.842 326 K CB 1.070 33.537 32.500 -0.055 0.000 1.359 326 K HN 0.505 nan 8.250 nan 0.000 0.441 327 N N 0.245 118.922 118.700 -0.038 0.000 2.727 327 N HA -0.208 4.773 4.740 0.402 0.000 0.249 327 N C -1.034 174.453 175.510 -0.039 0.000 1.048 327 N CA 0.857 53.886 53.050 -0.034 0.000 0.714 327 N CB -1.099 37.377 38.487 -0.020 0.000 0.959 327 N HN 0.731 nan 8.380 nan 0.000 0.544 328 I N 0.033 120.579 120.570 -0.040 0.000 2.474 328 I HA 0.232 4.643 4.170 0.402 0.000 0.294 328 I C -0.197 175.893 176.117 -0.045 0.000 1.005 328 I CA -0.371 60.913 61.300 -0.025 0.000 1.113 328 I CB 1.506 39.516 38.000 0.017 0.000 1.289 328 I HN -0.069 nan 8.210 nan 0.000 0.436 329 T N 6.495 120.975 114.554 -0.124 0.000 2.743 329 T HA 0.206 4.797 4.350 0.402 0.000 0.292 329 T C -0.065 174.675 174.700 0.067 0.000 0.972 329 T CA -0.384 61.634 62.100 -0.137 0.000 0.967 329 T CB 0.223 68.814 68.868 -0.462 0.000 0.926 329 T HN 0.550 nan 8.240 nan 0.000 0.459 330 N N 3.617 122.387 118.700 0.116 0.000 2.513 330 N HA 0.196 5.177 4.740 0.402 0.000 0.268 330 N C -0.728 174.865 175.510 0.140 0.000 1.180 330 N CA -0.177 52.984 53.050 0.184 0.000 0.948 330 N CB 0.553 39.139 38.487 0.164 0.000 1.083 330 N HN 0.515 nan 8.380 nan 0.000 0.455 331 I N 4.697 125.333 120.570 0.110 0.000 2.328 331 I HA 0.267 4.679 4.170 0.402 0.000 0.287 331 I C -2.096 173.997 176.117 -0.038 0.000 1.012 331 I CA -2.190 59.128 61.300 0.030 0.000 1.195 331 I CB 1.667 39.671 38.000 0.007 0.000 1.350 331 I HN 0.350 nan 8.210 nan 0.000 0.464 332 P HA -0.124 nan 4.420 nan 0.000 0.259 332 P C 0.593 177.842 177.300 -0.085 0.000 1.163 332 P CA 0.316 63.385 63.100 -0.051 0.000 0.760 332 P CB 0.763 32.428 31.700 -0.058 0.000 0.762 333 A N 4.502 127.267 122.820 -0.092 0.000 2.024 333 A HA -0.234 4.328 4.320 0.402 0.000 0.220 333 A C 1.701 179.206 177.584 -0.131 0.000 1.164 333 A CA 2.002 53.963 52.037 -0.128 0.000 0.643 333 A CB -1.327 17.622 19.000 -0.085 0.000 0.806 333 A HN 0.751 nan 8.150 nan 0.000 0.451 334 N N -0.639 117.987 118.700 -0.123 0.000 2.512 334 N HA 0.068 5.049 4.740 0.402 0.000 0.183 334 N C 0.295 175.712 175.510 -0.154 0.000 1.073 334 N CA 0.363 53.308 53.050 -0.174 0.000 0.911 334 N CB -0.374 38.005 38.487 -0.179 0.000 0.964 334 N HN 0.484 nan 8.380 nan 0.000 0.447 335 I N 1.376 121.892 120.570 -0.090 0.000 2.322 335 I HA 0.053 4.465 4.170 0.402 0.000 0.292 335 I C 0.019 176.117 176.117 -0.031 0.000 1.060 335 I CA -0.446 60.837 61.300 -0.028 0.000 1.309 335 I CB 0.817 38.820 38.000 0.005 0.000 1.415 335 I HN 0.092 nan 8.210 nan 0.000 0.492 336 S N 5.418 121.129 115.700 0.018 0.000 2.549 336 S HA -0.001 4.710 4.470 0.402 0.000 0.286 336 S C 0.965 175.556 174.600 -0.015 0.000 1.314 336 S CA -0.380 57.836 58.200 0.026 0.000 1.062 336 S CB 0.351 63.619 63.200 0.114 0.000 0.865 336 S HN 0.548 nan 8.310 nan 0.000 0.498 337 F N 3.323 123.173 119.950 -0.167 0.000 2.115 337 F HA -0.214 4.553 4.527 0.399 0.000 0.300 337 F C 1.847 177.492 175.800 -0.259 0.000 1.092 337 F CA 1.957 59.823 58.000 -0.223 0.000 1.245 337 F CB -0.187 38.643 39.000 -0.283 0.000 0.995 337 F HN 0.632 nan 8.300 nan 0.000 0.481 338 E N -0.259 119.880 120.200 -0.101 0.000 2.331 338 E HA -0.150 4.441 4.350 0.402 0.000 0.199 338 E C 2.196 178.598 176.600 -0.331 0.000 1.008 338 E CA 1.075 57.275 56.400 -0.333 0.000 0.843 338 E CB -0.474 28.828 29.700 -0.662 0.000 0.761 338 E HN 0.334 nan 8.360 nan 0.000 0.507 339 V N 0.700 120.456 119.914 -0.263 0.000 2.515 339 V HA -0.222 4.139 4.120 0.402 0.000 0.250 339 V C 2.040 177.836 176.094 -0.497 0.000 1.058 339 V CA 1.266 63.368 62.300 -0.329 0.000 1.064 339 V CB -0.437 31.229 31.823 -0.261 0.000 0.675 339 V HN 0.325 nan 8.190 nan 0.000 0.461 340 L N -0.796 120.130 121.223 -0.496 0.000 2.083 340 L HA -0.224 4.357 4.340 0.402 0.000 0.209 340 L C 2.484 179.100 176.870 -0.423 0.000 1.083 340 L CA 2.076 56.617 54.840 -0.499 0.000 0.752 340 L CB -0.565 41.088 42.059 -0.677 0.000 0.899 340 L HN 0.393 nan 8.230 nan 0.000 0.433 341 M N -0.220 119.135 119.600 -0.407 0.000 2.099 341 M HA -0.231 4.490 4.480 0.402 0.000 0.262 341 M C 2.398 178.567 176.300 -0.218 0.000 1.067 341 M CA 1.800 56.938 55.300 -0.269 0.000 1.124 341 M CB -0.009 32.437 32.600 -0.256 0.000 1.353 341 M HN 0.148 nan 8.290 nan 0.000 0.410 342 M N -0.104 119.333 119.600 -0.272 0.000 2.149 342 M HA -0.156 4.565 4.480 0.402 0.000 0.261 342 M C 1.851 177.937 176.300 -0.357 0.000 1.064 342 M CA 2.262 57.394 55.300 -0.280 0.000 1.102 342 M CB -0.640 31.692 32.600 -0.447 0.000 1.369 342 M HN 0.491 nan 8.290 nan 0.000 0.408 343 T N -3.125 111.150 114.554 -0.465 0.000 3.129 343 T HA 0.313 4.904 4.350 0.402 0.000 0.251 343 T C 1.300 175.904 174.700 -0.159 0.000 1.117 343 T CA 0.416 62.294 62.100 -0.370 0.000 1.034 343 T CB -0.114 68.401 68.868 -0.587 0.000 0.968 343 T HN 0.625 nan 8.240 nan 0.000 0.526 344 G N 1.424 110.139 108.800 -0.142 0.000 2.176 344 G HA2 -0.203 3.998 3.960 0.402 0.000 0.252 344 G HA3 -0.203 3.998 3.960 0.402 0.000 0.252 344 G C 0.251 175.099 174.900 -0.086 0.000 1.024 344 G CA 0.270 45.322 45.100 -0.080 0.000 0.755 344 G HN 0.599 nan 8.290 nan 0.000 0.507 345 L N -0.093 121.046 121.223 -0.140 0.000 3.110 345 L HA 0.408 4.989 4.340 0.402 0.000 0.266 345 L C 1.209 177.965 176.870 -0.190 0.000 1.257 345 L CA -0.506 54.257 54.840 -0.128 0.000 1.038 345 L CB 0.238 42.244 42.059 -0.088 0.000 1.395 345 L HN 0.171 nan 8.230 nan 0.000 0.566 346 L N 2.219 123.333 121.223 -0.182 0.000 2.461 346 L HA 0.188 4.769 4.340 0.402 0.000 0.272 346 L C -1.548 175.248 176.870 -0.123 0.000 1.197 346 L CA -1.243 53.484 54.840 -0.189 0.000 0.836 346 L CB 0.264 42.253 42.059 -0.117 0.000 1.105 346 L HN 0.005 nan 8.230 nan 0.000 0.477 347 P HA 0.166 nan 4.420 nan 0.000 0.282 347 P C -0.392 176.929 177.300 0.035 0.000 1.287 347 P CA -0.486 62.581 63.100 -0.055 0.000 0.792 347 P CB 0.970 32.614 31.700 -0.094 0.000 1.163 348 D N -0.874 119.600 120.400 0.123 0.000 2.097 348 D HA -0.039 4.842 4.640 0.402 0.000 0.197 348 D C 0.365 176.759 176.300 0.156 0.000 0.984 348 D CA 1.772 55.882 54.000 0.183 0.000 0.826 348 D CB 0.096 41.100 40.800 0.341 0.000 0.973 348 D HN 0.190 nan 8.370 nan 0.000 0.460 349 K N -0.198 120.285 120.400 0.138 0.000 2.469 349 K HA 0.558 5.120 4.320 0.402 0.000 0.254 349 K C -1.134 175.430 176.600 -0.061 0.000 0.939 349 K CA -0.801 55.542 56.287 0.093 0.000 0.812 349 K CB 3.100 35.666 32.500 0.109 0.000 1.301 349 K HN -0.253 nan 8.250 nan 0.000 0.433 350 V N 0.280 120.137 119.914 -0.095 0.000 2.760 350 V HA 0.824 5.185 4.120 0.402 0.000 0.309 350 V C -0.010 175.988 176.094 -0.159 0.000 1.077 350 V CA -0.912 61.207 62.300 -0.301 0.000 0.910 350 V CB 2.144 33.847 31.823 -0.200 0.000 1.008 350 V HN 0.891 nan 8.190 nan 0.000 0.424 351 G N 1.071 109.630 108.800 -0.401 0.000 2.718 351 G HA2 0.886 5.087 3.960 0.402 0.000 0.295 351 G HA3 0.886 5.087 3.960 0.402 0.000 0.295 351 G C -0.458 174.324 174.900 -0.197 0.000 1.421 351 G CA 0.119 45.093 45.100 -0.211 0.000 0.902 351 G HN 1.430 nan 8.290 nan 0.000 0.501 352 G N -1.411 107.422 108.800 0.054 0.000 2.350 352 G HA2 0.470 4.671 3.960 0.402 0.000 0.276 352 G HA3 0.470 4.671 3.960 0.402 0.000 0.276 352 G C -1.237 173.600 174.900 -0.105 0.000 1.313 352 G CA -0.008 45.057 45.100 -0.058 0.000 0.903 352 G HN 1.294 nan 8.290 nan 0.000 0.490 353 V N 1.557 121.372 119.914 -0.165 0.000 2.686 353 V HA 0.503 4.864 4.120 0.402 0.000 0.295 353 V C 1.478 177.357 176.094 -0.360 0.000 1.055 353 V CA 0.322 62.440 62.300 -0.303 0.000 1.050 353 V CB 1.054 32.675 31.823 -0.337 0.000 0.984 353 V HN 1.904 nan 8.190 nan 0.000 0.482 354 A N 4.298 126.718 122.820 -0.666 0.000 2.591 354 A HA 0.344 4.906 4.320 0.402 0.000 0.244 354 A C 0.502 178.022 177.584 -0.107 0.000 1.031 354 A CA 1.109 52.724 52.037 -0.704 0.000 0.767 354 A CB -0.079 18.082 19.000 -1.397 0.000 0.942 354 A HN 1.031 nan 8.150 nan 0.000 0.514 355 S N 1.189 117.019 115.700 0.216 0.000 2.579 355 S HA 0.483 5.194 4.470 0.402 0.000 0.272 355 S C 1.005 175.877 174.600 0.453 0.000 1.141 355 S CA 0.068 58.472 58.200 0.341 0.000 0.843 355 S CB 1.400 64.715 63.200 0.190 0.000 1.122 355 S HN 0.821 nan 8.310 nan 0.000 0.468 356 S N 1.805 117.695 115.700 0.316 0.000 2.442 356 S HA -0.111 4.600 4.470 0.402 0.000 0.236 356 S C 1.908 176.629 174.600 0.202 0.000 1.007 356 S CA 1.709 60.031 58.200 0.204 0.000 0.965 356 S CB -0.834 62.379 63.200 0.023 0.000 0.773 356 S HN 0.757 nan 8.310 nan 0.000 0.504 357 L N -1.088 120.133 121.223 -0.003 0.000 2.191 357 L HA 0.002 4.583 4.340 0.402 0.000 0.212 357 L C 1.817 178.478 176.870 -0.348 0.000 1.103 357 L CA 1.616 56.288 54.840 -0.280 0.000 0.769 357 L CB -1.318 40.358 42.059 -0.638 0.000 0.908 357 L HN 0.090 nan 8.230 nan 0.000 0.438 358 Y N -1.000 119.262 120.300 -0.064 0.000 2.497 358 Y HA -0.026 4.763 4.550 0.398 0.000 0.292 358 Y C 1.933 177.839 175.900 0.010 0.000 1.137 358 Y CA 0.887 58.932 58.100 -0.092 0.000 1.285 358 Y CB -0.615 37.756 38.460 -0.149 0.000 0.991 358 Y HN 0.132 nan 8.280 nan 0.000 0.556 359 F N -0.748 119.239 119.950 0.061 0.000 2.407 359 F HA -0.131 4.638 4.527 0.403 0.000 0.299 359 F C 2.143 177.981 175.800 0.062 0.000 1.097 359 F CA 1.218 59.258 58.000 0.067 0.000 1.422 359 F CB -0.374 38.668 39.000 0.070 0.000 1.067 359 F HN -0.000 nan 8.300 nan 0.000 0.539 360 S N -1.259 114.539 115.700 0.164 0.000 2.629 360 S HA 0.281 4.992 4.470 0.402 0.000 0.236 360 S C -0.001 174.581 174.600 -0.031 0.000 1.010 360 S CA -0.413 57.824 58.200 0.062 0.000 0.981 360 S CB -0.319 62.800 63.200 -0.135 0.000 0.919 360 S HN 0.046 nan 8.310 nan 0.000 0.514 361 L N 3.408 124.616 121.223 -0.025 0.000 2.305 361 L HA 0.574 5.155 4.340 0.402 0.000 0.281 361 L C -2.742 174.137 176.870 0.015 0.000 1.085 361 L CA -1.958 52.866 54.840 -0.027 0.000 0.813 361 L CB 0.175 42.173 42.059 -0.102 0.000 1.157 361 L HN -0.080 nan 8.230 nan 0.000 0.436 362 P HA 0.064 nan 4.420 nan 0.000 0.264 362 P C -0.102 177.217 177.300 0.031 0.000 1.193 362 P CA -0.110 63.009 63.100 0.032 0.000 0.763 362 P CB 0.375 32.093 31.700 0.030 0.000 0.810 363 K N 2.888 123.306 120.400 0.030 0.000 2.152 363 K HA -0.176 4.385 4.320 0.402 0.000 0.206 363 K C 1.312 177.925 176.600 0.023 0.000 1.048 363 K CA 1.650 57.951 56.287 0.023 0.000 0.933 363 K CB -0.323 32.186 32.500 0.016 0.000 0.721 363 K HN 0.523 nan 8.250 nan 0.000 0.447 364 E N 0.951 121.169 120.200 0.029 0.000 2.265 364 E HA -0.124 4.467 4.350 0.402 0.000 0.196 364 E C 1.471 178.097 176.600 0.043 0.000 0.996 364 E CA 1.053 57.473 56.400 0.034 0.000 0.832 364 E CB -0.099 29.624 29.700 0.039 0.000 0.756 364 E HN 0.305 nan 8.360 nan 0.000 0.491 365 K N 0.202 120.628 120.400 0.044 0.000 2.426 365 K HA 0.157 4.718 4.320 0.402 0.000 0.193 365 K C 0.099 176.732 176.600 0.053 0.000 1.028 365 K CA -0.004 56.314 56.287 0.052 0.000 1.047 365 K CB 0.252 32.780 32.500 0.047 0.000 0.821 365 K HN 0.144 nan 8.250 nan 0.000 0.513 366 I N 1.017 121.617 120.570 0.050 0.000 2.533 366 I HA -0.085 4.326 4.170 0.402 0.000 0.284 366 I C 1.436 177.565 176.117 0.020 0.000 1.109 366 I CA -0.033 61.301 61.300 0.057 0.000 1.412 366 I CB 1.459 39.476 38.000 0.028 0.000 1.396 366 I HN 0.033 nan 8.210 nan 0.000 0.543 367 S N 5.380 121.124 115.700 0.073 0.000 2.324 367 S HA 0.130 4.841 4.470 0.402 0.000 0.210 367 S C 0.392 174.949 174.600 -0.070 0.000 1.027 367 S CA 0.712 58.968 58.200 0.093 0.000 0.945 367 S CB 0.218 63.624 63.200 0.343 0.000 0.908 367 S HN 0.634 nan 8.310 nan 0.000 0.496 368 H N -0.708 118.530 119.070 0.281 0.000 3.085 368 H HA 0.416 5.212 4.556 0.401 0.000 0.356 368 H C -1.437 173.910 175.328 0.032 0.000 1.178 368 H CA -0.506 55.649 56.048 0.179 0.000 1.214 368 H CB 1.193 31.101 29.762 0.243 0.000 1.881 368 H HN 0.225 nan 8.280 nan 0.000 0.538 369 I N 3.592 124.108 120.570 -0.089 0.000 2.378 369 I HA 0.247 4.658 4.170 0.402 0.000 0.291 369 I C -0.398 175.464 176.117 -0.424 0.000 0.992 369 I CA -0.663 60.360 61.300 -0.461 0.000 1.154 369 I CB 1.355 38.888 38.000 -0.779 0.000 1.315 369 I HN 0.220 nan 8.210 nan 0.000 0.448 370 I N 6.104 126.382 120.570 -0.488 0.000 2.493 370 I HA 0.412 4.823 4.170 0.402 0.000 0.298 370 I C -0.552 175.150 176.117 -0.691 0.000 0.998 370 I CA -0.089 60.983 61.300 -0.381 0.000 1.137 370 I CB 1.304 39.243 38.000 -0.102 0.000 1.310 370 I HN 0.224 nan 8.210 nan 0.000 0.445 371 F N 2.544 122.248 119.950 -0.410 0.000 2.470 371 F HA 0.599 5.367 4.527 0.403 0.000 0.329 371 F C 0.970 176.602 175.800 -0.281 0.000 1.072 371 F CA -0.559 57.212 58.000 -0.381 0.000 0.989 371 F CB 1.661 40.386 39.000 -0.459 0.000 1.193 371 F HN 0.498 nan 8.300 nan 0.000 0.481 386 N N 3.120 121.840 118.700 0.034 0.000 2.407 386 N HA 0.329 5.310 4.740 0.402 0.000 0.277 386 N C -1.840 173.709 175.510 0.066 0.000 0.995 386 N CA -1.696 51.392 53.050 0.063 0.000 0.903 386 N CB 2.389 40.938 38.487 0.104 0.000 1.218 386 N HN 0.163 nan 8.380 nan 0.000 0.487 387 P HA -0.147 nan 4.420 nan 0.000 0.218 387 P C 1.233 178.655 177.300 0.203 0.000 1.149 387 P CA 1.046 64.218 63.100 0.121 0.000 0.817 387 P CB 0.190 31.950 31.700 0.099 0.000 0.785 388 Y N 0.655 121.013 120.300 0.098 0.000 2.200 388 Y HA -0.174 4.615 4.550 0.397 0.000 0.290 388 Y C 2.405 178.347 175.900 0.069 0.000 1.137 388 Y CA 0.493 58.696 58.100 0.172 0.000 1.163 388 Y CB -0.202 38.439 38.460 0.301 0.000 0.988 388 Y HN -0.286 nan 8.280 nan 0.000 0.518 389 V N 0.786 120.648 119.914 -0.088 0.000 2.287 389 V HA -0.353 4.008 4.120 0.402 0.000 0.248 389 V C 2.302 178.333 176.094 -0.106 0.000 1.053 389 V CA 1.893 63.917 62.300 -0.460 0.000 1.027 389 V CB -0.542 30.914 31.823 -0.611 0.000 0.646 389 V HN 0.338 nan 8.190 nan 0.000 0.447 390 K N -0.258 120.146 120.400 0.007 0.000 2.057 390 K HA -0.131 4.430 4.320 0.402 0.000 0.207 390 K C 2.121 178.806 176.600 0.141 0.000 1.049 390 K CA 1.307 57.633 56.287 0.066 0.000 0.931 390 K CB -0.576 31.975 32.500 0.085 0.000 0.714 390 K HN 0.406 nan 8.250 nan 0.000 0.440 391 V N 1.695 121.738 119.914 0.215 0.000 2.255 391 V HA -0.277 4.084 4.120 0.402 0.000 0.247 391 V C 2.472 178.653 176.094 0.146 0.000 1.051 391 V CA 1.752 64.209 62.300 0.263 0.000 1.018 391 V CB -0.377 31.611 31.823 0.275 0.000 0.641 391 V HN 0.332 nan 8.190 nan 0.000 0.445 392 M N -0.964 118.696 119.600 0.101 0.000 2.159 392 M HA -0.197 4.524 4.480 0.402 0.000 0.263 392 M C 2.424 178.709 176.300 -0.024 0.000 1.063 392 M CA 1.779 57.059 55.300 -0.033 0.000 1.110 392 M CB -0.444 32.165 32.600 0.015 0.000 1.374 392 M HN 0.170 nan 8.290 nan 0.000 0.411 393 R N 0.486 120.987 120.500 0.002 0.000 2.070 393 R HA -0.082 4.499 4.340 0.402 0.000 0.233 393 R C 2.140 178.450 176.300 0.017 0.000 1.137 393 R CA 1.712 57.810 56.100 -0.004 0.000 0.945 393 R CB -0.233 30.059 30.300 -0.013 0.000 0.845 393 R HN 0.229 nan 8.270 nan 0.000 0.430 394 R N -0.182 120.350 120.500 0.054 0.000 2.117 394 R HA -0.119 4.462 4.340 0.402 0.000 0.243 394 R C 1.974 178.301 176.300 0.044 0.000 1.143 394 R CA 1.566 57.701 56.100 0.059 0.000 0.968 394 R CB -0.369 30.000 30.300 0.114 0.000 0.863 394 R HN 0.296 nan 8.270 nan 0.000 0.444 395 L N -0.553 120.695 121.223 0.041 0.000 2.599 395 L HA 0.121 4.702 4.340 0.402 0.000 0.230 395 L C 1.204 178.067 176.870 -0.011 0.000 1.141 395 L CA 0.457 55.306 54.840 0.014 0.000 0.877 395 L CB 0.020 42.052 42.059 -0.046 0.000 1.009 395 L HN 0.468 nan 8.230 nan 0.000 0.447 396 G N 0.484 109.276 108.800 -0.014 0.000 2.155 396 G HA2 -0.319 3.882 3.960 0.402 0.000 0.257 396 G HA3 -0.319 3.882 3.960 0.402 0.000 0.257 396 G C 0.797 175.677 174.900 -0.032 0.000 0.983 396 G CA 0.599 45.691 45.100 -0.014 0.000 0.676 396 G HN 0.404 nan 8.290 nan 0.000 0.528 397 I N 0.386 120.917 120.570 -0.065 0.000 2.353 397 I HA 0.147 4.558 4.170 0.402 0.000 0.248 397 I C 1.695 177.769 176.117 -0.072 0.000 1.119 397 I CA 1.374 62.621 61.300 -0.088 0.000 1.417 397 I CB -0.109 37.783 38.000 -0.181 0.000 1.078 397 I HN 0.543 nan 8.210 nan 0.000 0.421 398 I N -1.750 118.787 120.570 -0.055 0.000 2.693 398 I HA 0.472 4.883 4.170 0.402 0.000 0.303 398 I C -0.743 175.358 176.117 -0.027 0.000 1.025 398 I CA -1.077 60.202 61.300 -0.036 0.000 1.086 398 I CB 1.619 39.615 38.000 -0.007 0.000 1.268 398 I HN -0.113 nan 8.210 nan 0.000 0.440 399 D N 2.977 123.364 120.400 -0.021 0.000 2.507 399 D HA 0.276 5.157 4.640 0.402 0.000 0.280 399 D C 0.931 177.221 176.300 -0.016 0.000 1.219 399 D CA 0.212 54.203 54.000 -0.015 0.000 1.085 399 D CB 0.236 41.030 40.800 -0.010 0.000 1.134 399 D HN 0.711 nan 8.370 nan 0.000 0.583 400 E N -0.799 119.395 120.200 -0.010 0.000 2.482 400 E HA 0.068 4.660 4.350 0.402 0.000 0.196 400 E C 1.067 177.662 176.600 -0.009 0.000 1.047 400 E CA 0.542 56.936 56.400 -0.010 0.000 0.869 400 E CB -0.920 28.777 29.700 -0.004 0.000 0.836 400 E HN 0.595 nan 8.360 nan 0.000 0.520 401 S N 0.257 115.954 115.700 -0.005 0.000 2.573 401 S HA 0.159 4.870 4.470 0.402 0.000 0.277 401 S C 0.434 175.028 174.600 -0.010 0.000 1.346 401 S CA -0.157 58.044 58.200 0.002 0.000 1.034 401 S CB 1.052 64.262 63.200 0.016 0.000 0.879 401 S HN 0.390 nan 8.310 nan 0.000 0.528 402 Q N 1.791 121.589 119.800 -0.004 0.000 2.255 402 Q HA 0.217 4.799 4.340 0.402 0.000 0.280 402 Q C -0.589 175.389 176.000 -0.037 0.000 1.068 402 Q CA 0.065 55.862 55.803 -0.010 0.000 0.911 402 Q CB 0.076 28.821 28.738 0.011 0.000 1.157 402 Q HN 0.605 nan 8.270 nan 0.000 0.380 403 V N 6.149 126.004 119.914 -0.098 0.000 2.872 403 V HA 0.032 4.393 4.120 0.402 0.000 0.307 403 V C 0.550 176.506 176.094 -0.230 0.000 1.072 403 V CA 0.216 62.386 62.300 -0.215 0.000 1.148 403 V CB 0.486 32.017 31.823 -0.485 0.000 0.954 403 V HN 0.743 nan 8.190 nan 0.000 0.490 404 I N 4.899 125.347 120.570 -0.204 0.000 2.312 404 I HA 0.366 4.777 4.170 0.402 0.000 0.290 404 I C -0.510 175.468 176.117 -0.231 0.000 1.008 404 I CA -0.012 61.199 61.300 -0.149 0.000 1.226 404 I CB 0.731 38.665 38.000 -0.111 0.000 1.371 404 I HN 0.391 nan 8.210 nan 0.000 0.468 405 F N 4.791 124.789 119.950 0.078 0.000 2.397 405 F HA 0.165 4.931 4.527 0.398 0.000 0.331 405 F C 0.817 176.712 175.800 0.159 0.000 1.090 405 F CA -0.638 57.426 58.000 0.106 0.000 1.065 405 F CB 0.874 39.934 39.000 0.100 0.000 1.184 405 F HN 0.590 nan 8.300 nan 0.000 0.499 406 W N 1.254 122.640 121.300 0.142 0.000 2.699 406 W HA -0.039 4.853 4.660 0.388 0.000 0.249 406 W C 1.100 177.614 176.519 -0.008 0.000 1.280 406 W CA 0.642 57.990 57.345 0.004 0.000 1.345 406 W CB -1.493 27.941 29.460 -0.044 0.000 1.128 406 W HN 0.496 nan 8.180 nan 0.000 0.642 407 D N 0.784 121.430 120.400 0.409 0.000 2.349 407 D HA -0.068 4.813 4.640 0.402 0.000 0.224 407 D C 1.561 177.931 176.300 0.116 0.000 1.029 407 D CA 1.084 55.201 54.000 0.194 0.000 0.879 407 D CB -0.792 40.160 40.800 0.253 0.000 0.906 407 D HN 0.283 nan 8.370 nan 0.000 0.528 408 S N -0.281 115.496 115.700 0.129 0.000 2.575 408 S HA 0.137 4.848 4.470 0.402 0.000 0.215 408 S C 0.687 175.275 174.600 -0.019 0.000 0.966 408 S CA -0.654 57.585 58.200 0.066 0.000 0.911 408 S CB -0.479 62.784 63.200 0.104 0.000 0.780 408 S HN 0.148 nan 8.310 nan 0.000 0.514 409 L N 2.395 123.574 121.223 -0.074 0.000 2.275 409 L HA 0.440 5.021 4.340 0.402 0.000 0.288 409 L C 0.346 177.183 176.870 -0.053 0.000 1.046 409 L CA -0.771 53.935 54.840 -0.223 0.000 0.805 409 L CB 1.165 42.918 42.059 -0.509 0.000 1.193 409 L HN 0.149 nan 8.230 nan 0.000 0.426 410 K N 2.742 123.173 120.400 0.052 0.000 2.527 410 K HA -0.014 4.547 4.320 0.402 0.000 0.278 410 K C -0.262 176.435 176.600 0.160 0.000 0.981 410 K CA -0.347 56.005 56.287 0.107 0.000 1.009 410 K CB 0.584 33.145 32.500 0.103 0.000 0.895 410 K HN 0.432 nan 8.250 nan 0.000 0.493 411 Q N 4.163 123.993 119.800 0.050 0.000 2.300 411 Q HA 0.090 4.671 4.340 0.402 0.000 0.262 411 Q C 0.059 176.046 176.000 -0.022 0.000 1.109 411 Q CA 0.246 56.056 55.803 0.011 0.000 0.905 411 Q CB 0.349 29.075 28.738 -0.020 0.000 1.280 411 Q HN 0.501 nan 8.270 nan 0.000 0.426 412 L N 0.000 121.183 121.223 -0.066 0.000 2.949 412 L HA 0.000 4.581 4.340 0.402 0.000 0.249 412 L CA 0.000 54.757 54.840 -0.138 0.000 0.813 412 L CB 0.000 41.895 42.059 -0.274 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502