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 2vl4_1_B DATA FIRST_RESID 27 DATA SEQUENCE GNDTSEVMLL DTGWEFSQSG TEKWMPATVP GTVHQDLISH ELLPNPFYGM DATA SEQUENCE NEKKIQWVEN EDWEYRTSFI VSEEQLNRDG IQLIFEGLDT YADVYLNGSL DATA SEQUENCE LLKADNMFVG YTLPVKSVLR KGENHLYIYF HSPIRQTLPQ YASNGFNYPA DATA SEQUENCE DNDHHEKHLS VFSRKAPYSY GWDWGIRMVT SGVWRPVTLR FYDIATISDY DATA SEQUENCE YVRQLSLTDE NARLSNELIV NQIVPQKIPA EVRVNVSLNG TTVTEVKQQV DATA SEQUENCE TLQPGINHIT LPAEVTNPVR WMPNGWGTPT LYDFSAQIAC GDRIVAEQSH DATA SEQUENCE RIGLRTIRVV NEKDKDGESF YFEVNGIPMF AKGANYIPQD ALLPNVTTER DATA SEQUENCE YQTLFRDMKE ANMNMVRIWG GGTYENNLFY DLADENGILV WQDFMFACTP DATA SEQUENCE YPSDPTFLKR VEAEAVYNIR RLRNHASLAM WCGNNEILEA LKYWGFEKKF DATA SEQUENCE TPEVYQGLMH GYDKLFRELL PSTVKEFDSD RFYVHSSPYL ANWGRPESWG DATA SEQUENCE TGDSHNWGVW YGKKPFESLD TDLPRFMSEF GFQSFPEMKT IAAFAAPEDY DATA SEQUENCE QIESEVMNAH QKSSIGNSLI RTYMERDYII PESFEDFVYV GLVLQGQGMR DATA SEQUENCE HGLEAHRRNR PYCMGTLYWQ LNDSWPVVSW SSIDYYGNWK ALHYQAKRAF DATA SEQUENCE APVLINPIQQ NDSLSVYLIS DRLDTMEQMT LEMKVVDFDG KTLGKKIQVH DATA SEQUENCE SLEVPANTSK CVYRAKLDGW LTPEDCRRSF LKLILKDKSG HQVAESVHFF DATA SEQUENCE RKTKDLQLPP TSVSYQMKQT DGKCELTLFS SMLAKDIFIE TPLQGARYSD DATA SEQUENCE NFFDLLPGER KKVIITSPRI KKGEELPVNI KHIRETYKEH H 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 27 G C 0.000 174.897 174.900 -0.005 0.000 0.946 27 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 28 N N 1.698 120.395 118.700 -0.004 0.000 2.466 28 N HA 0.372 5.112 4.740 0.000 0.000 0.263 28 N C -0.865 174.645 175.510 0.001 0.000 1.178 28 N CA 0.146 53.197 53.050 0.002 0.000 0.983 28 N CB -0.003 38.486 38.487 0.003 0.000 1.331 28 N HN 0.652 nan 8.380 nan 0.000 0.500 29 D N -1.460 118.945 120.400 0.008 0.000 2.812 29 D HA 0.190 4.830 4.640 0.000 0.000 0.318 29 D C 0.688 177.005 176.300 0.029 0.000 1.234 29 D CA -0.578 53.430 54.000 0.013 0.000 0.989 29 D CB -0.106 40.698 40.800 0.008 0.000 1.442 29 D HN 0.088 nan 8.370 nan 0.000 0.537 30 T N -2.712 111.866 114.554 0.040 0.000 3.129 30 T HA 0.183 4.533 4.350 0.000 0.000 0.251 30 T C 0.777 175.524 174.700 0.077 0.000 1.117 30 T CA 0.231 62.360 62.100 0.049 0.000 1.034 30 T CB -0.878 68.018 68.868 0.046 0.000 0.968 30 T HN 0.549 nan 8.240 nan 0.000 0.526 31 S N 0.635 116.392 115.700 0.095 0.000 2.593 31 S HA 0.307 4.777 4.470 0.000 0.000 0.269 31 S C -0.222 174.455 174.600 0.129 0.000 1.334 31 S CA -0.876 57.411 58.200 0.146 0.000 1.015 31 S CB 1.178 64.467 63.200 0.149 0.000 0.912 31 S HN 0.629 nan 8.310 nan 0.000 0.541 32 E N 0.463 120.778 120.200 0.191 0.000 2.238 32 E HA 0.576 4.926 4.350 0.000 0.000 0.267 32 E C -1.648 175.109 176.600 0.261 0.000 0.887 32 E CA -0.981 55.525 56.400 0.177 0.000 0.769 32 E CB 1.831 31.605 29.700 0.123 0.000 1.187 32 E HN 0.544 nan 8.360 nan 0.000 0.416 33 V N 4.824 124.842 119.914 0.174 0.000 2.628 33 V HA 0.433 4.553 4.120 0.000 0.000 0.306 33 V C -0.132 176.055 176.094 0.156 0.000 1.045 33 V CA -0.752 61.636 62.300 0.146 0.000 0.905 33 V CB 1.673 33.534 31.823 0.063 0.000 0.997 33 V HN 0.799 nan 8.190 nan 0.000 0.436 34 M N 5.439 125.132 119.600 0.156 0.000 2.253 34 M HA 0.591 5.071 4.480 0.000 0.000 0.314 34 M C -1.792 174.519 176.300 0.018 0.000 1.019 34 M CA -0.576 54.792 55.300 0.114 0.000 0.932 34 M CB 1.487 34.215 32.600 0.213 0.000 1.606 34 M HN 0.524 nan 8.290 nan 0.000 0.430 35 L N 6.144 127.383 121.223 0.026 0.000 2.290 35 L HA 0.347 4.687 4.340 0.000 0.000 0.284 35 L C -0.588 176.307 176.870 0.042 0.000 1.078 35 L CA -0.435 54.419 54.840 0.023 0.000 0.815 35 L CB 0.986 43.072 42.059 0.045 0.000 1.162 35 L HN 0.737 nan 8.230 nan 0.000 0.435 36 L N 4.505 125.762 121.223 0.056 0.000 2.449 36 L HA 0.161 4.501 4.340 0.000 0.000 0.255 36 L C 0.082 177.224 176.870 0.454 0.000 1.167 36 L CA -0.121 54.821 54.840 0.170 0.000 1.090 36 L CB -0.217 41.906 42.059 0.107 0.000 1.385 36 L HN 0.684 nan 8.230 nan 0.000 0.411 37 D N -1.089 119.513 120.400 0.336 0.000 2.513 37 D HA 0.064 4.704 4.640 0.000 0.000 0.222 37 D C 0.437 176.957 176.300 0.368 0.000 1.210 37 D CA -0.057 54.144 54.000 0.335 0.000 0.825 37 D CB 0.515 41.416 40.800 0.168 0.000 1.037 37 D HN 0.325 nan 8.370 nan 0.000 0.506 38 T N -5.257 109.521 114.554 0.373 0.000 2.883 38 T HA 0.530 4.880 4.350 0.000 0.000 0.296 38 T C 0.923 175.758 174.700 0.226 0.000 1.117 38 T CA -0.247 62.027 62.100 0.290 0.000 1.006 38 T CB 1.662 70.632 68.868 0.170 0.000 1.191 38 T HN 0.366 nan 8.240 nan 0.000 0.508 39 G N -0.093 108.831 108.800 0.206 0.000 2.153 39 G HA2 -0.220 3.740 3.960 0.000 0.000 0.252 39 G HA3 -0.220 3.740 3.960 0.000 0.000 0.252 39 G C -0.164 174.812 174.900 0.126 0.000 0.994 39 G CA 0.064 45.238 45.100 0.122 0.000 0.698 39 G HN 0.801 nan 8.290 nan 0.000 0.521 40 W N 0.492 121.920 121.300 0.213 0.000 2.251 40 W HA 0.648 5.308 4.660 -0.000 0.000 0.329 40 W C 0.783 177.485 176.519 0.306 0.000 1.234 40 W CA -0.371 57.141 57.345 0.279 0.000 1.228 40 W CB 0.708 30.367 29.460 0.332 0.000 1.135 40 W HN 0.194 nan 8.180 nan 0.000 0.576 41 E N 1.691 122.252 120.200 0.603 0.000 2.369 41 E HA 0.562 4.912 4.350 0.000 0.000 0.270 41 E C -1.332 175.651 176.600 0.639 0.000 0.909 41 E CA -1.152 55.590 56.400 0.569 0.000 0.775 41 E CB 2.362 32.322 29.700 0.434 0.000 1.270 41 E HN 0.334 nan 8.360 nan 0.000 0.445 42 F N -1.054 119.012 119.950 0.194 0.000 2.603 42 F HA 0.827 5.354 4.527 -0.000 0.000 0.317 42 F C -0.802 174.784 175.800 -0.358 0.000 1.066 42 F CA -0.795 57.018 58.000 -0.313 0.000 0.941 42 F CB 2.148 40.590 39.000 -0.929 0.000 1.291 42 F HN 0.333 nan 8.300 nan 0.000 0.472 43 S N 1.476 116.655 115.700 -0.868 0.000 2.546 43 S HA 0.230 4.700 4.470 0.000 0.000 0.272 43 S C -1.529 172.748 174.600 -0.538 0.000 1.140 43 S CA -0.683 56.860 58.200 -1.094 0.000 0.920 43 S CB 1.680 63.659 63.200 -2.035 0.000 1.083 43 S HN 0.977 nan 8.310 nan 0.000 0.476 44 Q N 2.997 122.496 119.800 -0.502 0.000 2.271 44 Q HA 0.240 4.580 4.340 0.000 0.000 0.273 44 Q C -0.445 175.176 176.000 -0.632 0.000 1.051 44 Q CA 0.057 55.342 55.803 -0.865 0.000 0.901 44 Q CB 0.402 28.718 28.738 -0.703 0.000 1.174 44 Q HN 0.675 nan 8.270 nan 0.000 0.385 45 S N 2.791 118.121 115.700 -0.617 0.000 2.563 45 S HA 0.229 4.699 4.470 0.000 0.000 0.294 45 S C 0.980 175.435 174.600 -0.242 0.000 1.279 45 S CA 0.715 58.709 58.200 -0.344 0.000 1.069 45 S CB 0.562 63.598 63.200 -0.273 0.000 0.828 45 S HN 1.015 nan 8.310 nan 0.000 0.497 46 G N 2.082 110.800 108.800 -0.137 0.000 2.213 46 G HA2 -0.301 3.659 3.960 0.000 0.000 0.236 46 G HA3 -0.301 3.659 3.960 0.000 0.000 0.236 46 G C 0.836 175.668 174.900 -0.114 0.000 0.991 46 G CA 0.721 45.766 45.100 -0.092 0.000 0.629 46 G HN 0.930 nan 8.290 nan 0.000 0.517 47 T N -2.174 112.272 114.554 -0.180 0.000 3.037 47 T HA 0.385 4.735 4.350 0.000 0.000 0.252 47 T C 1.096 175.710 174.700 -0.143 0.000 1.073 47 T CA 1.228 63.225 62.100 -0.173 0.000 1.091 47 T CB -0.036 68.695 68.868 -0.229 0.000 0.935 47 T HN 0.791 nan 8.240 nan 0.000 0.488 48 E N 0.355 120.464 120.200 -0.153 0.000 2.883 48 E HA -0.195 4.155 4.350 0.000 0.000 0.271 48 E C -0.055 176.514 176.600 -0.052 0.000 1.049 48 E CA 0.641 57.021 56.400 -0.033 0.000 0.817 48 E CB -1.038 28.701 29.700 0.064 0.000 1.407 48 E HN 0.617 nan 8.360 nan 0.000 0.434 49 K N 0.607 120.837 120.400 -0.284 0.000 2.244 49 K HA 0.413 4.733 4.320 0.000 0.000 0.260 49 K C -1.213 175.105 176.600 -0.469 0.000 0.951 49 K CA -0.602 55.558 56.287 -0.211 0.000 0.826 49 K CB 0.817 33.206 32.500 -0.186 0.000 1.108 49 K HN -0.022 nan 8.250 nan 0.000 0.433 50 W N 4.417 125.631 121.300 -0.144 0.000 2.689 50 W HA 0.514 5.174 4.660 0.000 0.000 0.340 50 W C -0.269 176.139 176.519 -0.184 0.000 1.060 50 W CA -0.667 56.574 57.345 -0.173 0.000 1.218 50 W CB 1.623 31.041 29.460 -0.071 0.000 1.410 50 W HN 0.313 nan 8.180 nan 0.000 0.528 51 M N 2.729 122.331 119.600 0.003 0.000 2.575 51 M HA 0.379 4.859 4.480 0.000 0.000 0.284 51 M C -2.572 173.917 176.300 0.316 0.000 1.253 51 M CA -2.048 53.249 55.300 -0.004 0.000 0.861 51 M CB 2.371 34.744 32.600 -0.379 0.000 1.733 51 M HN -0.036 nan 8.290 nan 0.000 0.462 52 P HA 0.189 nan 4.420 nan 0.000 0.267 52 P C -1.357 176.310 177.300 0.611 0.000 1.200 52 P CA 0.039 63.421 63.100 0.470 0.000 0.772 52 P CB 0.471 32.419 31.700 0.412 0.000 0.855 53 A N 2.156 125.276 122.820 0.501 0.000 2.430 53 A HA 0.761 5.081 4.320 0.000 0.000 0.300 53 A C -0.676 177.073 177.584 0.275 0.000 1.124 53 A CA -0.393 51.862 52.037 0.363 0.000 0.766 53 A CB 1.041 20.326 19.000 0.474 0.000 1.328 53 A HN 0.402 nan 8.150 nan 0.000 0.424 54 T N 0.868 115.495 114.554 0.121 0.000 2.779 54 T HA 0.580 4.930 4.350 0.000 0.000 0.280 54 T C -0.900 173.773 174.700 -0.044 0.000 0.987 54 T CA -0.255 61.888 62.100 0.072 0.000 0.966 54 T CB 1.080 69.964 68.868 0.026 0.000 0.933 54 T HN 0.537 nan 8.240 nan 0.000 0.442 55 V N 5.698 125.553 119.914 -0.098 0.000 2.638 55 V HA 0.418 4.538 4.120 0.000 0.000 0.306 55 V C -2.311 173.702 176.094 -0.135 0.000 1.052 55 V CA -2.139 59.974 62.300 -0.311 0.000 0.885 55 V CB 1.923 33.179 31.823 -0.945 0.000 0.999 55 V HN 0.687 nan 8.190 nan 0.000 0.424 56 P HA 0.512 nan 4.420 nan 0.000 0.269 56 P C 0.172 177.403 177.300 -0.114 0.000 1.209 56 P CA 0.396 63.413 63.100 -0.138 0.000 0.776 56 P CB 0.866 32.523 31.700 -0.072 0.000 0.876 57 G N 0.164 108.872 108.800 -0.155 0.000 2.494 57 G HA2 0.612 4.572 3.960 0.000 0.000 0.308 57 G HA3 0.612 4.572 3.960 0.000 0.000 0.308 57 G C -1.495 173.289 174.900 -0.193 0.000 1.263 57 G CA -0.375 44.646 45.100 -0.132 0.000 0.840 57 G HN 0.637 nan 8.290 nan 0.000 0.479 58 T N -2.598 111.830 114.554 -0.211 0.000 2.903 58 T HA 0.553 4.903 4.350 0.000 0.000 0.299 58 T C 1.047 175.545 174.700 -0.336 0.000 1.093 58 T CA 0.065 62.008 62.100 -0.261 0.000 1.002 58 T CB 1.603 70.373 68.868 -0.165 0.000 1.127 58 T HN 0.751 nan 8.240 nan 0.000 0.488 59 V N 1.225 120.881 119.914 -0.429 0.000 2.282 59 V HA -0.227 3.893 4.120 0.000 0.000 0.249 59 V C 2.469 178.158 176.094 -0.675 0.000 1.057 59 V CA 2.259 64.156 62.300 -0.672 0.000 1.032 59 V CB -1.213 29.980 31.823 -1.050 0.000 0.645 59 V HN 0.986 nan 8.190 nan 0.000 0.447 60 H N -0.557 118.204 119.070 -0.515 0.000 2.352 60 H HA -0.198 4.358 4.556 -0.000 0.000 0.299 60 H C 2.296 177.440 175.328 -0.306 0.000 1.097 60 H CA 2.013 57.818 56.048 -0.405 0.000 1.311 60 H CB -0.207 29.347 29.762 -0.346 0.000 1.377 60 H HN 0.412 nan 8.280 nan 0.000 0.504 61 Q N 0.696 120.403 119.800 -0.156 0.000 2.123 61 Q HA -0.120 4.220 4.340 0.000 0.000 0.199 61 Q C 1.378 177.262 176.000 -0.193 0.000 0.966 61 Q CA 1.590 57.307 55.803 -0.143 0.000 0.845 61 Q CB -0.068 28.606 28.738 -0.107 0.000 0.907 61 Q HN 0.391 nan 8.270 nan 0.000 0.439 62 D N -0.102 120.101 120.400 -0.328 0.000 2.149 62 D HA -0.155 4.485 4.640 0.000 0.000 0.198 62 D C 1.842 178.038 176.300 -0.173 0.000 0.990 62 D CA 1.135 54.865 54.000 -0.451 0.000 0.839 62 D CB -0.075 40.031 40.800 -1.158 0.000 0.948 62 D HN 0.325 nan 8.370 nan 0.000 0.460 63 L N 0.325 121.455 121.223 -0.155 0.000 2.056 63 L HA -0.096 4.244 4.340 0.000 0.000 0.207 63 L C 2.545 179.472 176.870 0.095 0.000 1.078 63 L CA 0.547 55.455 54.840 0.114 0.000 0.749 63 L CB -0.242 41.799 42.059 -0.030 0.000 0.901 63 L HN -0.009 nan 8.230 nan 0.000 0.433 64 I N -0.647 119.915 120.570 -0.013 0.000 2.208 64 I HA -0.298 3.872 4.170 0.000 0.000 0.245 64 I C 2.522 178.632 176.117 -0.011 0.000 1.097 64 I CA 1.207 62.504 61.300 -0.005 0.000 1.363 64 I CB -0.250 37.721 38.000 -0.048 0.000 1.051 64 I HN 0.158 nan 8.210 nan 0.000 0.413 65 S N -0.772 114.879 115.700 -0.080 0.000 2.442 65 S HA -0.151 4.319 4.470 0.000 0.000 0.236 65 S C 1.412 175.863 174.600 -0.249 0.000 1.007 65 S CA 0.998 59.087 58.200 -0.186 0.000 0.965 65 S CB -0.334 62.693 63.200 -0.288 0.000 0.773 65 S HN 0.459 nan 8.310 nan 0.000 0.504 66 H N 0.496 119.630 119.070 0.107 0.000 2.505 66 H HA 0.273 4.829 4.556 -0.000 0.000 0.286 66 H C 0.046 175.439 175.328 0.107 0.000 1.072 66 H CA -0.023 56.100 56.048 0.125 0.000 1.141 66 H CB -0.060 29.811 29.762 0.180 0.000 1.550 66 H HN 0.450 nan 8.280 nan 0.000 0.547 67 E N 0.663 120.959 120.200 0.160 0.000 2.440 67 E HA -0.205 4.145 4.350 0.000 0.000 0.246 67 E C 0.423 177.118 176.600 0.157 0.000 1.165 67 E CA 0.101 56.579 56.400 0.130 0.000 0.726 67 E CB -1.379 28.384 29.700 0.104 0.000 1.271 67 E HN 0.473 nan 8.360 nan 0.000 0.397 68 L N -0.457 120.888 121.223 0.203 0.000 2.592 68 L HA 0.249 4.589 4.340 0.000 0.000 0.227 68 L C 0.703 177.746 176.870 0.289 0.000 1.127 68 L CA 0.359 55.345 54.840 0.243 0.000 0.884 68 L CB 0.203 42.444 42.059 0.304 0.000 1.065 68 L HN 0.104 nan 8.230 nan 0.000 0.457 69 L N 0.155 121.500 121.223 0.203 0.000 2.409 69 L HA 0.509 4.849 4.340 0.000 0.000 0.262 69 L C -2.291 174.657 176.870 0.131 0.000 0.992 69 L CA -1.809 53.143 54.840 0.187 0.000 0.817 69 L CB 2.656 44.770 42.059 0.093 0.000 1.350 69 L HN -0.210 nan 8.230 nan 0.000 0.411 70 P HA 0.039 nan 4.420 nan 0.000 0.274 70 P C -0.784 176.570 177.300 0.089 0.000 1.256 70 P CA -0.538 62.629 63.100 0.112 0.000 0.795 70 P CB 0.446 32.229 31.700 0.137 0.000 1.038 71 N N 2.054 120.809 118.700 0.092 0.000 2.386 71 N HA -0.052 4.688 4.740 0.000 0.000 0.273 71 N C -1.253 174.332 175.510 0.125 0.000 1.331 71 N CA -1.106 51.996 53.050 0.088 0.000 0.891 71 N CB -0.087 38.502 38.487 0.171 0.000 1.139 71 N HN 0.208 nan 8.380 nan 0.000 0.487 72 P HA -0.086 nan 4.420 nan 0.000 0.223 72 P C 0.776 178.267 177.300 0.319 0.000 1.151 72 P CA 0.973 64.096 63.100 0.038 0.000 0.787 72 P CB 0.020 31.622 31.700 -0.163 0.000 0.788 73 F N -2.069 118.050 119.950 0.281 0.000 2.743 73 F HA 0.138 4.665 4.527 -0.000 0.000 0.297 73 F C 1.248 177.363 175.800 0.524 0.000 1.131 73 F CA -1.173 57.088 58.000 0.434 0.000 1.426 73 F CB -1.502 37.698 39.000 0.334 0.000 1.116 73 F HN -0.113 nan 8.300 nan 0.000 0.583 74 Y N 0.780 121.391 120.300 0.518 0.000 2.335 74 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 74 Y C 1.364 177.532 175.900 0.447 0.000 1.094 74 Y CA 0.142 58.510 58.100 0.446 0.000 1.253 74 Y CB 0.429 39.069 38.460 0.300 0.000 1.203 74 Y HN 0.289 nan 8.280 nan 0.000 0.508 75 G N 5.057 113.691 108.800 -0.276 0.000 2.699 75 G HA2 -0.371 3.589 3.960 0.000 0.000 0.347 75 G HA3 -0.371 3.589 3.960 0.000 0.000 0.347 75 G C 0.674 175.779 174.900 0.342 0.000 1.225 75 G CA 1.164 46.281 45.100 0.028 0.000 0.973 75 G HN 0.598 nan 8.290 nan 0.000 0.551 76 M N 2.001 121.767 119.600 0.277 0.000 2.419 76 M HA 0.210 4.690 4.480 0.000 0.000 0.252 76 M C 1.641 178.069 176.300 0.213 0.000 1.143 76 M CA -0.059 55.375 55.300 0.223 0.000 0.985 76 M CB -0.344 32.360 32.600 0.174 0.000 1.489 76 M HN 0.388 nan 8.290 nan 0.000 0.484 77 N N 1.369 120.229 118.700 0.268 0.000 2.443 77 N HA -0.170 4.570 4.740 0.000 0.000 0.184 77 N C 1.542 177.152 175.510 0.167 0.000 1.037 77 N CA 0.758 53.948 53.050 0.234 0.000 0.896 77 N CB -0.096 38.560 38.487 0.282 0.000 0.959 77 N HN 0.539 nan 8.380 nan 0.000 0.442 78 E N 1.282 121.561 120.200 0.132 0.000 2.070 78 E HA -0.266 4.084 4.350 0.000 0.000 0.197 78 E C 2.103 178.735 176.600 0.053 0.000 1.004 78 E CA 2.009 58.434 56.400 0.043 0.000 0.805 78 E CB 0.031 29.714 29.700 -0.030 0.000 0.744 78 E HN 0.411 nan 8.360 nan 0.000 0.451 79 K N 1.378 121.824 120.400 0.078 0.000 2.152 79 K HA -0.182 4.138 4.320 0.000 0.000 0.206 79 K C 1.872 178.550 176.600 0.130 0.000 1.048 79 K CA 1.863 58.203 56.287 0.088 0.000 0.933 79 K CB -0.685 31.866 32.500 0.085 0.000 0.721 79 K HN 0.192 nan 8.250 nan 0.000 0.447 80 K N -0.197 120.295 120.400 0.153 0.000 2.432 80 K HA 0.141 4.461 4.320 0.000 0.000 0.196 80 K C 1.761 178.534 176.600 0.288 0.000 1.038 80 K CA 1.227 57.642 56.287 0.213 0.000 0.986 80 K CB -0.050 32.567 32.500 0.196 0.000 0.782 80 K HN 0.732 nan 8.250 nan 0.000 0.485 81 I N -3.133 117.534 120.570 0.163 0.000 4.082 81 I HA 0.083 4.253 4.170 0.000 0.000 0.337 81 I C 1.210 177.263 176.117 -0.107 0.000 1.352 81 I CA -0.219 61.095 61.300 0.023 0.000 1.097 81 I CB 0.365 38.373 38.000 0.014 0.000 1.048 81 I HN -0.189 nan 8.210 nan 0.000 0.393 82 Q N 1.917 121.744 119.800 0.045 0.000 2.291 82 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 82 Q C 1.899 177.944 176.000 0.076 0.000 0.976 82 Q CA 1.875 57.707 55.803 0.049 0.000 0.875 82 Q CB -0.493 28.303 28.738 0.096 0.000 0.927 82 Q HN 0.916 nan 8.270 nan 0.000 0.450 83 W N 0.102 121.462 121.300 0.100 0.000 2.350 83 W HA -0.134 4.526 4.660 0.000 0.000 0.289 83 W C 1.404 178.010 176.519 0.145 0.000 1.215 83 W CA 0.764 58.172 57.345 0.105 0.000 1.236 83 W CB -1.194 28.321 29.460 0.090 0.000 1.130 83 W HN -0.111 nan 8.180 nan 0.000 0.541 84 V N 2.804 122.405 119.914 -0.521 0.000 2.392 84 V HA -0.349 3.771 4.120 0.000 0.000 0.249 84 V C 2.704 178.827 176.094 0.049 0.000 1.059 84 V CA 2.757 64.763 62.300 -0.490 0.000 1.051 84 V CB -1.163 30.025 31.823 -1.058 0.000 0.658 84 V HN 0.357 nan 8.190 nan 0.000 0.455 85 E N 0.183 120.405 120.200 0.036 0.000 2.338 85 E HA -0.193 4.157 4.350 0.000 0.000 0.197 85 E C 1.512 178.203 176.600 0.151 0.000 1.007 85 E CA 1.221 57.677 56.400 0.093 0.000 0.849 85 E CB -0.317 29.399 29.700 0.028 0.000 0.774 85 E HN 0.600 nan 8.360 nan 0.000 0.506 86 N N 0.637 119.445 118.700 0.181 0.000 2.422 86 N HA 0.017 4.757 4.740 0.000 0.000 0.181 86 N C -0.070 175.528 175.510 0.147 0.000 1.080 86 N CA 0.454 53.606 53.050 0.170 0.000 0.893 86 N CB 0.293 38.888 38.487 0.180 0.000 0.973 86 N HN 0.203 nan 8.380 nan 0.000 0.456 87 E N 1.083 121.386 120.200 0.172 0.000 2.283 87 E HA 0.207 4.557 4.350 0.000 0.000 0.267 87 E C -0.461 176.029 176.600 -0.183 0.000 1.045 87 E CA -0.337 56.021 56.400 -0.069 0.000 0.884 87 E CB 0.989 30.536 29.700 -0.255 0.000 1.106 87 E HN 0.028 nan 8.360 nan 0.000 0.408 88 D N 0.465 120.655 120.400 -0.351 0.000 2.253 88 D HA 0.372 5.012 4.640 0.000 0.000 0.249 88 D C -0.553 175.270 176.300 -0.796 0.000 1.049 88 D CA -0.051 53.740 54.000 -0.348 0.000 0.929 88 D CB 0.585 41.250 40.800 -0.225 0.000 1.176 88 D HN 0.211 nan 8.370 nan 0.000 0.437 89 W N 0.306 121.513 121.300 -0.156 0.000 2.839 89 W HA 0.360 5.020 4.660 -0.000 0.000 0.334 89 W C -0.072 176.438 176.519 -0.014 0.000 1.064 89 W CA -0.744 56.568 57.345 -0.055 0.000 1.236 89 W CB 1.385 30.910 29.460 0.110 0.000 1.405 89 W HN 0.063 nan 8.180 nan 0.000 0.478 90 E N 1.740 121.995 120.200 0.091 0.000 2.199 90 E HA 0.493 4.843 4.350 0.000 0.000 0.269 90 E C -1.541 175.171 176.600 0.188 0.000 0.899 90 E CA -1.081 55.407 56.400 0.147 0.000 0.772 90 E CB 2.191 31.929 29.700 0.063 0.000 1.155 90 E HN 0.362 nan 8.360 nan 0.000 0.408 91 Y N 1.177 121.704 120.300 0.378 0.000 2.446 91 Y HA 0.467 5.017 4.550 0.000 0.000 0.345 91 Y C -0.069 176.053 175.900 0.371 0.000 0.984 91 Y CA -0.934 57.504 58.100 0.562 0.000 1.058 91 Y CB 1.895 40.749 38.460 0.658 0.000 1.220 91 Y HN 0.447 nan 8.280 nan 0.000 0.455 92 R N 0.547 121.365 120.500 0.530 0.000 2.698 92 R HA 0.871 5.211 4.340 0.000 0.000 0.275 92 R C -1.736 174.581 176.300 0.029 0.000 1.001 92 R CA -0.808 55.372 56.100 0.134 0.000 0.896 92 R CB 2.363 32.508 30.300 -0.258 0.000 1.218 92 R HN 0.607 nan 8.270 nan 0.000 0.462 93 T N 0.262 114.663 114.554 -0.255 0.000 2.843 93 T HA 0.535 4.885 4.350 0.000 0.000 0.302 93 T C -1.353 173.260 174.700 -0.146 0.000 1.232 93 T CA -0.435 61.416 62.100 -0.415 0.000 1.009 93 T CB 1.712 69.836 68.868 -1.240 0.000 1.254 93 T HN 0.832 nan 8.240 nan 0.000 0.504 94 S N 1.769 117.412 115.700 -0.095 0.000 2.600 94 S HA 0.966 5.436 4.470 0.000 0.000 0.300 94 S C -1.092 173.511 174.600 0.005 0.000 1.087 94 S CA -0.783 57.352 58.200 -0.108 0.000 0.965 94 S CB 1.495 64.618 63.200 -0.127 0.000 1.089 94 S HN 0.937 nan 8.310 nan 0.000 0.496 95 F N -0.896 118.965 119.950 -0.149 0.000 2.678 95 F HA 0.729 5.256 4.527 -0.000 0.000 0.308 95 F C -1.695 174.061 175.800 -0.073 0.000 1.118 95 F CA -1.519 56.429 58.000 -0.087 0.000 0.959 95 F CB 0.790 39.758 39.000 -0.053 0.000 1.305 95 F HN 0.404 nan 8.300 nan 0.000 0.443 96 I N 3.317 123.969 120.570 0.136 0.000 2.385 96 I HA 0.551 4.721 4.170 0.000 0.000 0.294 96 I C -0.350 175.858 176.117 0.152 0.000 0.988 96 I CA -1.042 60.285 61.300 0.045 0.000 1.265 96 I CB 1.353 39.366 38.000 0.022 0.000 1.388 96 I HN 0.534 nan 8.210 nan 0.000 0.480 97 V N 5.132 125.099 119.914 0.089 0.000 2.555 97 V HA 0.452 4.572 4.120 0.000 0.000 0.302 97 V C 0.367 176.475 176.094 0.024 0.000 1.038 97 V CA -0.603 61.771 62.300 0.124 0.000 0.887 97 V CB 1.998 33.959 31.823 0.229 0.000 0.991 97 V HN 0.937 nan 8.190 nan 0.000 0.434 98 S N 2.187 117.869 115.700 -0.029 0.000 2.693 98 S HA 0.359 4.829 4.470 0.000 0.000 0.276 98 S C 0.942 175.522 174.600 -0.034 0.000 1.192 98 S CA -0.181 57.992 58.200 -0.045 0.000 0.994 98 S CB 1.552 64.704 63.200 -0.080 0.000 1.012 98 S HN 0.813 nan 8.310 nan 0.000 0.550 99 E N 0.747 120.929 120.200 -0.030 0.000 2.077 99 E HA -0.202 4.148 4.350 0.000 0.000 0.193 99 E C 1.806 178.389 176.600 -0.028 0.000 0.989 99 E CA 1.572 57.960 56.400 -0.020 0.000 0.800 99 E CB -0.118 29.571 29.700 -0.019 0.000 0.746 99 E HN 0.804 nan 8.360 nan 0.000 0.452 100 E N 0.428 120.598 120.200 -0.049 0.000 2.152 100 E HA -0.220 4.130 4.350 0.000 0.000 0.192 100 E C 2.002 178.555 176.600 -0.077 0.000 0.983 100 E CA 0.806 57.173 56.400 -0.056 0.000 0.818 100 E CB -0.426 29.237 29.700 -0.061 0.000 0.758 100 E HN 0.412 nan 8.360 nan 0.000 0.467 101 Q N 0.641 120.358 119.800 -0.139 0.000 2.084 101 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 101 Q C 2.430 178.454 176.000 0.040 0.000 0.978 101 Q CA 1.098 56.770 55.803 -0.219 0.000 0.844 101 Q CB -0.120 28.309 28.738 -0.515 0.000 0.898 101 Q HN 0.270 nan 8.270 nan 0.000 0.426 102 L N 0.776 122.027 121.223 0.048 0.000 2.362 102 L HA -0.119 4.221 4.340 0.000 0.000 0.219 102 L C 1.407 178.303 176.870 0.044 0.000 1.134 102 L CA 0.365 55.252 54.840 0.079 0.000 0.807 102 L CB -0.159 41.932 42.059 0.053 0.000 0.927 102 L HN 0.278 nan 8.230 nan 0.000 0.447 103 N N -0.373 118.337 118.700 0.017 0.000 2.412 103 N HA 0.004 4.744 4.740 0.000 0.000 0.184 103 N C 0.421 175.929 175.510 -0.004 0.000 1.101 103 N CA 0.196 53.247 53.050 0.003 0.000 0.881 103 N CB 0.219 38.702 38.487 -0.007 0.000 0.969 103 N HN 0.165 nan 8.380 nan 0.000 0.459 104 R N 1.350 121.858 120.500 0.013 0.000 2.734 104 R HA 0.000 4.340 4.340 0.000 0.000 0.266 104 R C 0.773 177.022 176.300 -0.084 0.000 1.044 104 R CA -0.019 56.073 56.100 -0.013 0.000 1.128 104 R CB 0.275 30.608 30.300 0.053 0.000 1.010 104 R HN 0.074 nan 8.270 nan 0.000 0.461 105 D N 0.151 120.457 120.400 -0.157 0.000 2.178 105 D HA -0.020 4.620 4.640 0.000 0.000 0.201 105 D C 0.846 176.954 176.300 -0.320 0.000 0.980 105 D CA 1.451 55.333 54.000 -0.197 0.000 0.842 105 D CB 0.171 40.864 40.800 -0.177 0.000 0.948 105 D HN 0.653 nan 8.370 nan 0.000 0.472 106 G N -0.563 107.875 108.800 -0.602 0.000 2.733 106 G HA2 0.606 4.566 3.960 0.000 0.000 0.297 106 G HA3 0.606 4.566 3.960 0.000 0.000 0.297 106 G C -1.333 173.261 174.900 -0.510 0.000 1.422 106 G CA -0.625 44.062 45.100 -0.688 0.000 0.942 106 G HN 0.008 nan 8.290 nan 0.000 0.510 107 I N 0.616 121.095 120.570 -0.152 0.000 2.534 107 I HA 0.371 4.541 4.170 0.000 0.000 0.288 107 I C -0.681 175.415 176.117 -0.035 0.000 1.077 107 I CA -0.694 60.533 61.300 -0.121 0.000 1.051 107 I CB 2.485 40.372 38.000 -0.188 0.000 1.234 107 I HN 0.342 nan 8.210 nan 0.000 0.425 108 Q N 4.375 124.149 119.800 -0.043 0.000 2.342 108 Q HA 0.622 4.962 4.340 0.000 0.000 0.267 108 Q C -1.352 174.566 176.000 -0.138 0.000 1.038 108 Q CA -0.967 54.820 55.803 -0.026 0.000 0.832 108 Q CB 3.414 32.157 28.738 0.008 0.000 1.323 108 Q HN 0.417 nan 8.270 nan 0.000 0.448 109 L N 3.375 124.537 121.223 -0.101 0.000 2.287 109 L HA 0.533 4.873 4.340 0.000 0.000 0.287 109 L C -1.534 175.227 176.870 -0.182 0.000 1.022 109 L CA -0.102 54.627 54.840 -0.186 0.000 0.814 109 L CB 0.980 42.964 42.059 -0.126 0.000 1.217 109 L HN 0.559 nan 8.230 nan 0.000 0.420 110 I N 5.567 125.971 120.570 -0.277 0.000 2.362 110 I HA 0.337 4.507 4.170 0.000 0.000 0.289 110 I C -1.045 174.892 176.117 -0.301 0.000 0.994 110 I CA -0.215 60.986 61.300 -0.166 0.000 1.158 110 I CB 1.184 39.128 38.000 -0.093 0.000 1.315 110 I HN 0.411 nan 8.210 nan 0.000 0.451 111 F N 4.805 124.799 119.950 0.072 0.000 2.361 111 F HA 0.324 4.851 4.527 0.000 0.000 0.364 111 F C 1.346 177.166 175.800 0.032 0.000 1.117 111 F CA -0.458 57.585 58.000 0.073 0.000 1.071 111 F CB 1.195 40.277 39.000 0.137 0.000 1.188 111 F HN 0.504 nan 8.300 nan 0.000 0.464 112 E N 2.092 122.350 120.200 0.097 0.000 2.347 112 E HA 0.152 4.502 4.350 0.000 0.000 0.196 112 E C 0.748 177.284 176.600 -0.106 0.000 1.008 112 E CA 0.286 56.681 56.400 -0.008 0.000 0.852 112 E CB 0.302 29.961 29.700 -0.068 0.000 0.783 112 E HN 0.721 nan 8.360 nan 0.000 0.505 113 G N 0.648 109.407 108.800 -0.068 0.000 2.682 113 G HA2 0.442 4.402 3.960 0.000 0.000 0.300 113 G HA3 0.442 4.402 3.960 0.000 0.000 0.300 113 G C -1.526 173.501 174.900 0.212 0.000 1.396 113 G CA -0.804 44.242 45.100 -0.090 0.000 1.104 113 G HN -0.045 nan 8.290 nan 0.000 0.587 114 L N 2.072 123.545 121.223 0.417 0.000 2.356 114 L HA 0.522 4.862 4.340 0.000 0.000 0.277 114 L C -1.154 175.938 176.870 0.371 0.000 0.996 114 L CA -0.903 54.170 54.840 0.388 0.000 0.822 114 L CB 2.532 44.658 42.059 0.112 0.000 1.256 114 L HN 0.504 nan 8.230 nan 0.000 0.413 115 D N 1.535 122.125 120.400 0.317 0.000 2.464 115 D HA 0.381 5.021 4.640 0.000 0.000 0.243 115 D C -0.009 176.362 176.300 0.118 0.000 1.104 115 D CA -0.097 53.897 54.000 -0.010 0.000 0.883 115 D CB 1.435 42.069 40.800 -0.276 0.000 1.050 115 D HN 0.505 nan 8.370 nan 0.000 0.524 116 T N 1.989 116.651 114.554 0.180 0.000 3.507 116 T HA 0.064 4.414 4.350 0.000 0.000 0.280 116 T C -0.169 174.448 174.700 -0.140 0.000 0.976 116 T CA 0.085 62.128 62.100 -0.095 0.000 1.096 116 T CB -0.072 68.578 68.868 -0.364 0.000 1.168 116 T HN 0.203 nan 8.240 nan 0.000 0.463 117 Y N 2.825 123.262 120.300 0.229 0.000 2.636 117 Y HA 0.678 5.228 4.550 0.000 0.000 0.341 117 Y C 0.270 176.313 175.900 0.239 0.000 1.169 117 Y CA -1.113 57.112 58.100 0.208 0.000 1.498 117 Y CB -0.064 38.534 38.460 0.230 0.000 1.362 117 Y HN 0.205 nan 8.280 nan 0.000 0.494 118 A N 2.454 125.327 122.820 0.089 0.000 2.319 118 A HA 0.555 4.875 4.320 0.000 0.000 0.310 118 A C -0.954 176.522 177.584 -0.180 0.000 1.152 118 A CA -0.919 50.961 52.037 -0.262 0.000 0.783 118 A CB 0.600 19.168 19.000 -0.721 0.000 1.184 118 A HN 0.456 nan 8.150 nan 0.000 0.474 119 D N 2.157 122.519 120.400 -0.063 0.000 2.317 119 D HA 0.389 5.029 4.640 0.000 0.000 0.234 119 D C -0.549 175.553 176.300 -0.330 0.000 1.112 119 D CA 0.117 54.019 54.000 -0.163 0.000 0.840 119 D CB 1.795 42.621 40.800 0.043 0.000 1.078 119 D HN 0.150 nan 8.370 nan 0.000 0.486 120 V N 3.959 123.591 119.914 -0.469 0.000 2.347 120 V HA 0.222 4.342 4.120 0.000 0.000 0.280 120 V C -0.712 175.187 176.094 -0.325 0.000 1.021 120 V CA -0.640 61.487 62.300 -0.289 0.000 0.847 120 V CB 0.105 31.764 31.823 -0.273 0.000 0.990 120 V HN 0.346 nan 8.190 nan 0.000 0.444 121 Y N 5.264 125.683 120.300 0.197 0.000 2.352 121 Y HA 0.707 5.257 4.550 -0.000 0.000 0.339 121 Y C -0.235 175.798 175.900 0.222 0.000 0.992 121 Y CA -0.936 57.273 58.100 0.183 0.000 1.100 121 Y CB 1.831 40.390 38.460 0.165 0.000 1.192 121 Y HN 0.512 nan 8.280 nan 0.000 0.458 122 L N 4.726 126.134 121.223 0.307 0.000 2.404 122 L HA 0.524 4.864 4.340 0.000 0.000 0.272 122 L C -0.538 176.447 176.870 0.192 0.000 0.980 122 L CA -0.633 54.364 54.840 0.263 0.000 0.836 122 L CB 0.980 43.188 42.059 0.248 0.000 1.238 122 L HN 0.723 nan 8.230 nan 0.000 0.408 123 N N 4.223 123.021 118.700 0.164 0.000 2.727 123 N HA -0.202 4.538 4.740 0.000 0.000 0.249 123 N C 0.969 176.537 175.510 0.096 0.000 1.048 123 N CA 1.434 54.548 53.050 0.107 0.000 0.714 123 N CB -1.281 37.245 38.487 0.065 0.000 0.959 123 N HN 1.299 nan 8.380 nan 0.000 0.544 124 G N -1.864 107.001 108.800 0.109 0.000 2.179 124 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 124 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 124 G C 0.018 174.998 174.900 0.133 0.000 0.977 124 G CA 0.666 45.817 45.100 0.085 0.000 0.641 124 G HN 0.924 nan 8.290 nan 0.000 0.533 125 S N -0.257 115.543 115.700 0.166 0.000 2.442 125 S HA 0.627 5.097 4.470 0.000 0.000 0.297 125 S C 0.125 174.840 174.600 0.192 0.000 1.131 125 S CA -0.633 57.657 58.200 0.150 0.000 1.092 125 S CB 1.042 64.307 63.200 0.109 0.000 0.998 125 S HN 1.190 nan 8.310 nan 0.000 0.478 126 L N 7.398 128.713 121.223 0.153 0.000 2.433 126 L HA 0.337 4.677 4.340 0.000 0.000 0.284 126 L C 0.630 177.459 176.870 -0.069 0.000 1.120 126 L CA 0.397 55.206 54.840 -0.052 0.000 0.879 126 L CB -0.216 41.824 42.059 -0.032 0.000 1.232 126 L HN 0.850 nan 8.230 nan 0.000 0.454 127 L N 4.722 125.895 121.223 -0.084 0.000 2.156 127 L HA 0.106 4.446 4.340 0.000 0.000 0.208 127 L C 0.084 176.910 176.870 -0.075 0.000 1.095 127 L CA 0.430 55.254 54.840 -0.026 0.000 0.770 127 L CB -0.173 41.916 42.059 0.049 0.000 0.914 127 L HN 0.591 nan 8.230 nan 0.000 0.439 128 L N -0.736 120.384 121.223 -0.171 0.000 2.643 128 L HA 0.294 4.634 4.340 0.000 0.000 0.257 128 L C -1.469 175.237 176.870 -0.273 0.000 0.922 128 L CA -0.429 54.276 54.840 -0.225 0.000 0.909 128 L CB 1.589 43.454 42.059 -0.324 0.000 1.424 128 L HN -0.127 nan 8.230 nan 0.000 0.422 129 K N 4.284 124.560 120.400 -0.206 0.000 2.357 129 K HA 0.762 5.082 4.320 0.000 0.000 0.251 129 K C -0.335 176.165 176.600 -0.168 0.000 1.069 129 K CA -0.369 55.829 56.287 -0.149 0.000 0.994 129 K CB 1.371 33.836 32.500 -0.060 0.000 1.411 129 K HN 0.701 nan 8.250 nan 0.000 0.450 130 A N 2.324 124.980 122.820 -0.274 0.000 2.351 130 A HA 0.226 4.546 4.320 0.000 0.000 0.257 130 A C 0.161 177.708 177.584 -0.061 0.000 1.087 130 A CA -0.201 51.642 52.037 -0.323 0.000 0.798 130 A CB 0.243 18.943 19.000 -0.500 0.000 1.033 130 A HN 0.818 nan 8.150 nan 0.000 0.488 131 D N -0.614 119.796 120.400 0.016 0.000 2.755 131 D HA 0.088 4.728 4.640 0.000 0.000 0.293 131 D C -0.791 175.443 176.300 -0.109 0.000 1.642 131 D CA -0.285 53.666 54.000 -0.081 0.000 0.825 131 D CB -0.477 40.400 40.800 0.128 0.000 1.303 131 D HN 0.258 nan 8.370 nan 0.000 0.434 132 N N 1.019 119.703 118.700 -0.027 0.000 2.599 132 N HA 0.141 4.881 4.740 0.000 0.000 0.283 132 N C 0.291 175.747 175.510 -0.090 0.000 1.160 132 N CA -0.293 52.718 53.050 -0.066 0.000 0.869 132 N CB 1.633 40.127 38.487 0.010 0.000 1.448 132 N HN 0.069 nan 8.380 nan 0.000 0.535 133 M N 2.599 121.996 119.600 -0.340 0.000 2.202 133 M HA -0.051 4.429 4.480 0.000 0.000 0.262 133 M C -0.034 176.264 176.300 -0.003 0.000 1.063 133 M CA 1.886 56.984 55.300 -0.337 0.000 1.097 133 M CB 0.014 32.081 32.600 -0.888 0.000 1.382 133 M HN 0.392 nan 8.290 nan 0.000 0.413 134 F N -0.642 119.444 119.950 0.227 0.000 2.732 134 F HA 0.276 4.803 4.527 -0.000 0.000 0.303 134 F C 0.171 176.004 175.800 0.055 0.000 1.110 134 F CA -0.345 57.836 58.000 0.302 0.000 1.355 134 F CB -0.458 38.765 39.000 0.373 0.000 1.081 134 F HN -0.213 nan 8.300 nan 0.000 0.565 135 V N -0.201 119.648 119.914 -0.109 0.000 2.555 135 V HA 0.710 4.830 4.120 0.000 0.000 0.302 135 V C 0.547 176.027 176.094 -1.024 0.000 1.038 135 V CA -1.095 60.744 62.300 -0.767 0.000 0.887 135 V CB 1.423 32.816 31.823 -0.717 0.000 0.991 135 V HN 0.180 nan 8.190 nan 0.000 0.434 136 G N 2.877 110.647 108.800 -1.716 0.000 2.420 136 G HA2 0.547 4.507 3.960 0.000 0.000 0.284 136 G HA3 0.547 4.507 3.960 0.000 0.000 0.284 136 G C -1.490 173.023 174.900 -0.645 0.000 1.177 136 G CA -0.126 44.501 45.100 -0.788 0.000 0.841 136 G HN 0.524 nan 8.290 nan 0.000 0.527 137 Y N -0.105 120.163 120.300 -0.054 0.000 2.376 137 Y HA 0.487 5.037 4.550 -0.000 0.000 0.340 137 Y C 0.505 176.454 175.900 0.082 0.000 0.965 137 Y CA -0.636 57.477 58.100 0.022 0.000 1.078 137 Y CB 2.778 41.285 38.460 0.079 0.000 1.193 137 Y HN 0.404 nan 8.280 nan 0.000 0.452 138 T N 5.373 120.046 114.554 0.198 0.000 2.786 138 T HA 0.608 4.958 4.350 0.000 0.000 0.283 138 T C -0.751 174.022 174.700 0.122 0.000 0.992 138 T CA -0.622 61.550 62.100 0.121 0.000 0.954 138 T CB 0.237 69.142 68.868 0.062 0.000 0.934 138 T HN 0.364 nan 8.240 nan 0.000 0.440 139 L N 5.867 127.154 121.223 0.107 0.000 2.356 139 L HA 0.485 4.825 4.340 0.000 0.000 0.277 139 L C -2.237 174.676 176.870 0.071 0.000 0.996 139 L CA -2.490 52.412 54.840 0.103 0.000 0.822 139 L CB 2.009 44.151 42.059 0.138 0.000 1.256 139 L HN 0.333 nan 8.230 nan 0.000 0.413 140 P HA 0.049 nan 4.420 nan 0.000 0.276 140 P C 0.214 177.547 177.300 0.055 0.000 1.253 140 P CA -0.082 63.058 63.100 0.067 0.000 0.766 140 P CB 1.574 33.315 31.700 0.069 0.000 0.845 141 V N 0.831 120.769 119.914 0.040 0.000 3.330 141 V HA 0.181 4.301 4.120 0.000 0.000 0.309 141 V C 1.946 178.066 176.094 0.044 0.000 1.481 141 V CA 0.092 62.421 62.300 0.049 0.000 1.068 141 V CB -0.357 31.503 31.823 0.061 0.000 0.935 141 V HN 0.323 nan 8.190 nan 0.000 0.453 142 K N 1.640 122.054 120.400 0.024 0.000 2.044 142 K HA -0.175 4.145 4.320 0.000 0.000 0.210 142 K C 2.129 178.753 176.600 0.040 0.000 1.049 142 K CA 2.270 58.573 56.287 0.028 0.000 0.927 142 K CB -0.237 32.261 32.500 -0.002 0.000 0.713 142 K HN 0.547 nan 8.250 nan 0.000 0.443 143 S N 0.347 116.068 115.700 0.034 0.000 2.400 143 S HA -0.131 4.339 4.470 0.000 0.000 0.232 143 S C 1.811 176.436 174.600 0.042 0.000 1.025 143 S CA 1.401 59.621 58.200 0.034 0.000 0.993 143 S CB -0.113 63.106 63.200 0.032 0.000 0.808 143 S HN 0.472 nan 8.310 nan 0.000 0.478 144 V N -0.764 119.182 119.914 0.054 0.000 3.354 144 V HA 0.345 4.465 4.120 0.000 0.000 0.258 144 V C 0.532 176.663 176.094 0.061 0.000 1.159 144 V CA 0.165 62.501 62.300 0.061 0.000 1.125 144 V CB -0.570 31.299 31.823 0.076 0.000 0.774 144 V HN 0.258 nan 8.190 nan 0.000 0.464 145 L N 1.610 122.876 121.223 0.071 0.000 2.436 145 L HA 0.463 4.803 4.340 0.000 0.000 0.265 145 L C 0.501 177.394 176.870 0.039 0.000 1.168 145 L CA -0.046 54.838 54.840 0.074 0.000 0.815 145 L CB 0.678 42.818 42.059 0.134 0.000 1.109 145 L HN 0.280 nan 8.230 nan 0.000 0.462 146 R N 1.156 121.658 120.500 0.004 0.000 2.750 146 R HA 0.360 4.700 4.340 0.000 0.000 0.281 146 R C -0.944 175.346 176.300 -0.017 0.000 0.972 146 R CA -1.123 54.970 56.100 -0.011 0.000 0.912 146 R CB 1.965 32.243 30.300 -0.037 0.000 1.187 146 R HN 0.367 nan 8.270 nan 0.000 0.464 147 K N 1.135 121.530 120.400 -0.008 0.000 2.451 147 K HA 0.209 4.529 4.320 0.000 0.000 0.280 147 K C 0.470 177.048 176.600 -0.038 0.000 1.020 147 K CA 1.424 57.703 56.287 -0.013 0.000 1.008 147 K CB 0.341 32.836 32.500 -0.009 0.000 0.917 147 K HN 0.756 nan 8.250 nan 0.000 0.478 148 G N 2.878 111.651 108.800 -0.045 0.000 2.475 148 G HA2 -0.232 3.728 3.960 0.000 0.000 0.223 148 G HA3 -0.232 3.728 3.960 0.000 0.000 0.223 148 G C -0.890 173.929 174.900 -0.135 0.000 1.201 148 G CA -0.514 44.545 45.100 -0.068 0.000 0.962 148 G HN 0.656 nan 8.290 nan 0.000 0.586 149 E N 1.749 121.843 120.200 -0.177 0.000 2.376 149 E HA 0.221 4.571 4.350 0.000 0.000 0.266 149 E C -0.091 176.202 176.600 -0.512 0.000 1.009 149 E CA 0.125 56.323 56.400 -0.337 0.000 0.902 149 E CB 0.169 29.698 29.700 -0.285 0.000 0.972 149 E HN 0.400 nan 8.360 nan 0.000 0.439 150 N N 2.258 120.477 118.700 -0.802 0.000 2.240 150 N HA 0.305 5.045 4.740 0.000 0.000 0.302 150 N C -1.053 173.859 175.510 -0.996 0.000 1.106 150 N CA -0.605 51.902 53.050 -0.906 0.000 0.778 150 N CB 1.592 39.377 38.487 -1.169 0.000 1.431 150 N HN 0.392 nan 8.380 nan 0.000 0.479 151 H N 1.496 120.400 119.070 -0.277 0.000 2.646 151 H HA 0.310 4.866 4.556 0.000 0.000 0.328 151 H C -0.830 174.537 175.328 0.064 0.000 0.998 151 H CA -0.536 55.453 56.048 -0.098 0.000 1.225 151 H CB 2.161 31.900 29.762 -0.038 0.000 1.457 151 H HN 0.331 nan 8.280 nan 0.000 0.505 152 L N 4.496 125.866 121.223 0.244 0.000 2.307 152 L HA 0.378 4.718 4.340 0.000 0.000 0.284 152 L C -1.635 175.485 176.870 0.415 0.000 1.023 152 L CA -0.652 54.400 54.840 0.353 0.000 0.810 152 L CB 0.918 43.195 42.059 0.364 0.000 1.231 152 L HN 0.491 nan 8.230 nan 0.000 0.423 153 Y N 5.119 125.637 120.300 0.365 0.000 2.421 153 Y HA 0.701 5.251 4.550 -0.000 0.000 0.339 153 Y C -1.085 175.108 175.900 0.488 0.000 0.996 153 Y CA -0.892 57.459 58.100 0.418 0.000 1.046 153 Y CB 1.668 40.325 38.460 0.327 0.000 1.226 153 Y HN 0.527 nan 8.280 nan 0.000 0.445 154 I N 6.456 127.344 120.570 0.529 0.000 2.447 154 I HA 0.226 4.396 4.170 0.000 0.000 0.287 154 I C -1.575 174.748 176.117 0.343 0.000 1.023 154 I CA -0.991 60.516 61.300 0.345 0.000 1.083 154 I CB 1.879 39.949 38.000 0.116 0.000 1.245 154 I HN 0.583 nan 8.210 nan 0.000 0.434 155 Y N 6.622 127.039 120.300 0.195 0.000 2.385 155 Y HA 0.464 5.014 4.550 -0.000 0.000 0.341 155 Y C -0.921 174.916 175.900 -0.105 0.000 0.965 155 Y CA -0.520 57.681 58.100 0.167 0.000 1.180 155 Y CB 0.663 39.239 38.460 0.194 0.000 1.139 155 Y HN 0.342 nan 8.280 nan 0.000 0.502 156 F N 5.505 125.458 119.950 0.004 0.000 2.404 156 F HA 0.219 4.746 4.527 -0.000 0.000 0.359 156 F C 0.522 176.349 175.800 0.046 0.000 1.134 156 F CA -0.450 57.618 58.000 0.113 0.000 1.160 156 F CB 0.157 39.270 39.000 0.189 0.000 1.186 156 F HN 0.434 nan 8.300 nan 0.000 0.526 157 H N 1.424 120.772 119.070 0.464 0.000 2.803 157 H HA -0.010 4.546 4.556 -0.000 0.000 0.330 157 H C 0.549 176.088 175.328 0.352 0.000 1.057 157 H CA -0.245 56.046 56.048 0.405 0.000 1.458 157 H CB 1.294 31.253 29.762 0.327 0.000 1.470 157 H HN 0.521 nan 8.280 nan 0.000 0.560 158 S N 4.895 120.808 115.700 0.356 0.000 2.673 158 S HA -0.044 4.426 4.470 0.000 0.000 0.308 158 S C -1.079 173.688 174.600 0.278 0.000 1.246 158 S CA -1.150 57.222 58.200 0.288 0.000 1.077 158 S CB 0.469 63.790 63.200 0.201 0.000 0.814 158 S HN 0.544 nan 8.310 nan 0.000 0.503 159 P HA -0.086 nan 4.420 nan 0.000 0.223 159 P C 1.495 178.932 177.300 0.228 0.000 1.151 159 P CA 0.665 63.993 63.100 0.380 0.000 0.787 159 P CB -0.033 31.897 31.700 0.384 0.000 0.788 160 I N 0.695 121.360 120.570 0.158 0.000 2.133 160 I HA -0.134 4.036 4.170 0.000 0.000 0.238 160 I C 2.635 178.787 176.117 0.057 0.000 1.074 160 I CA 1.419 62.774 61.300 0.092 0.000 1.342 160 I CB -1.585 36.450 38.000 0.058 0.000 1.053 160 I HN -0.013 nan 8.210 nan 0.000 0.404 161 R N 0.378 120.921 120.500 0.073 0.000 2.148 161 R HA -0.196 4.144 4.340 0.000 0.000 0.227 161 R C 2.198 178.498 176.300 -0.001 0.000 1.103 161 R CA 0.918 57.049 56.100 0.051 0.000 0.983 161 R CB -0.257 30.092 30.300 0.081 0.000 0.874 161 R HN 0.373 nan 8.270 nan 0.000 0.451 162 Q N 0.434 120.207 119.800 -0.044 0.000 2.119 162 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 162 Q C 1.573 177.443 176.000 -0.216 0.000 0.972 162 Q CA 2.063 57.736 55.803 -0.217 0.000 0.847 162 Q CB 0.154 28.567 28.738 -0.542 0.000 0.903 162 Q HN 0.363 nan 8.270 nan 0.000 0.433 163 T N -2.958 111.528 114.554 -0.113 0.000 3.023 163 T HA 0.211 4.561 4.350 0.000 0.000 0.253 163 T C 1.628 176.278 174.700 -0.083 0.000 1.038 163 T CA -0.119 61.923 62.100 -0.097 0.000 0.962 163 T CB -0.095 68.811 68.868 0.063 0.000 1.018 163 T HN 0.185 nan 8.240 nan 0.000 0.521 164 L N 1.500 122.704 121.223 -0.031 0.000 2.043 164 L HA -0.040 4.300 4.340 0.000 0.000 0.212 164 L C -0.238 176.636 176.870 0.007 0.000 1.075 164 L CA 1.677 56.526 54.840 0.016 0.000 0.752 164 L CB -1.344 40.730 42.059 0.025 0.000 0.891 164 L HN 0.273 nan 8.230 nan 0.000 0.432 165 P HA -0.168 nan 4.420 nan 0.000 0.220 165 P C 1.421 178.624 177.300 -0.161 0.000 1.152 165 P CA 1.137 64.188 63.100 -0.082 0.000 0.812 165 P CB 0.059 31.709 31.700 -0.082 0.000 0.792 166 Q N -0.861 118.786 119.800 -0.255 0.000 2.061 166 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 166 Q C 2.311 177.940 176.000 -0.619 0.000 0.984 166 Q CA 1.442 56.965 55.803 -0.465 0.000 0.846 166 Q CB -0.685 27.666 28.738 -0.645 0.000 0.902 166 Q HN 0.107 nan 8.270 nan 0.000 0.421 167 Y N 0.270 120.181 120.300 -0.648 0.000 2.097 167 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 167 Y C 2.035 177.820 175.900 -0.192 0.000 1.152 167 Y CA 1.817 59.694 58.100 -0.372 0.000 1.136 167 Y CB -0.719 37.675 38.460 -0.110 0.000 0.975 167 Y HN 0.206 nan 8.280 nan 0.000 0.498 168 A N -0.244 122.445 122.820 -0.218 0.000 1.940 168 A HA -0.238 4.082 4.320 0.000 0.000 0.219 168 A C 2.424 179.861 177.584 -0.244 0.000 1.176 168 A CA 2.387 54.293 52.037 -0.219 0.000 0.631 168 A CB -1.376 17.587 19.000 -0.061 0.000 0.814 168 A HN 0.641 nan 8.150 nan 0.000 0.446 169 S N -0.534 115.027 115.700 -0.232 0.000 2.489 169 S HA -0.089 4.381 4.470 0.000 0.000 0.228 169 S C 1.575 176.056 174.600 -0.197 0.000 0.995 169 S CA 1.119 59.211 58.200 -0.182 0.000 0.934 169 S CB -0.493 62.615 63.200 -0.154 0.000 0.771 169 S HN 0.555 nan 8.310 nan 0.000 0.522 170 N N 1.651 120.171 118.700 -0.299 0.000 2.300 170 N HA 0.112 4.852 4.740 0.000 0.000 0.179 170 N C 1.422 176.760 175.510 -0.288 0.000 1.016 170 N CA 1.244 54.109 53.050 -0.309 0.000 0.876 170 N CB -0.556 37.715 38.487 -0.360 0.000 0.979 170 N HN 0.612 nan 8.380 nan 0.000 0.432 171 G N -1.047 107.595 108.800 -0.263 0.000 2.168 171 G HA2 -0.255 3.705 3.960 0.000 0.000 0.263 171 G HA3 -0.255 3.705 3.960 0.000 0.000 0.263 171 G C 0.032 174.980 174.900 0.080 0.000 0.977 171 G CA 1.068 46.117 45.100 -0.086 0.000 0.659 171 G HN 0.587 nan 8.290 nan 0.000 0.533 172 F N -2.486 117.404 119.950 -0.100 0.000 2.741 172 F HA 0.745 5.272 4.527 -0.000 0.000 0.313 172 F C -1.070 174.760 175.800 0.050 0.000 1.153 172 F CA -1.858 56.140 58.000 -0.003 0.000 0.931 172 F CB 0.826 39.859 39.000 0.055 0.000 1.335 172 F HN 0.011 nan 8.300 nan 0.000 0.460 173 N N 0.880 119.854 118.700 0.457 0.000 2.446 173 N HA 0.316 5.056 4.740 0.000 0.000 0.265 173 N C -1.589 174.248 175.510 0.545 0.000 0.975 173 N CA -0.570 52.757 53.050 0.462 0.000 0.928 173 N CB 0.526 39.228 38.487 0.357 0.000 1.160 173 N HN 0.644 nan 8.380 nan 0.000 0.495 174 Y N 3.146 123.653 120.300 0.346 0.000 2.712 174 Y HA 0.089 4.639 4.550 0.000 0.000 0.333 174 Y C -1.131 174.941 175.900 0.286 0.000 1.225 174 Y CA -0.897 57.337 58.100 0.223 0.000 1.499 174 Y CB 0.627 39.026 38.460 -0.101 0.000 1.288 174 Y HN 0.480 nan 8.280 nan 0.000 0.575 175 P HA 0.096 nan 4.420 nan 0.000 0.228 175 P C -0.753 176.541 177.300 -0.011 0.000 1.748 175 P CA 0.094 63.251 63.100 0.095 0.000 0.909 175 P CB -0.423 31.027 31.700 -0.416 0.000 1.882 176 A N 1.349 124.075 122.820 -0.157 0.000 3.004 176 A HA 0.164 4.484 4.320 0.000 0.000 0.286 176 A C 1.117 178.303 177.584 -0.664 0.000 1.632 176 A CA -0.343 51.479 52.037 -0.358 0.000 1.339 176 A CB -0.423 18.369 19.000 -0.346 0.000 1.136 176 A HN 0.064 nan 8.150 nan 0.000 0.577 177 D N 0.819 121.015 120.400 -0.339 0.000 2.221 177 D HA -0.144 4.496 4.640 0.000 0.000 0.204 177 D C 1.143 177.276 176.300 -0.279 0.000 0.982 177 D CA 1.060 54.907 54.000 -0.256 0.000 0.857 177 D CB 0.101 40.845 40.800 -0.094 0.000 0.934 177 D HN 0.529 nan 8.370 nan 0.000 0.475 178 N N 0.907 119.314 118.700 -0.489 0.000 2.494 178 N HA -0.094 4.646 4.740 0.000 0.000 0.182 178 N C 0.196 175.366 175.510 -0.566 0.000 1.076 178 N CA 0.383 52.996 53.050 -0.728 0.000 0.908 178 N CB 0.149 37.598 38.487 -1.731 0.000 0.967 178 N HN 0.172 nan 8.380 nan 0.000 0.449 179 D N 0.735 120.925 120.400 -0.350 0.000 2.365 179 D HA 0.011 4.651 4.640 0.000 0.000 0.237 179 D C -0.456 175.914 176.300 0.117 0.000 1.190 179 D CA -0.140 53.785 54.000 -0.123 0.000 0.867 179 D CB -0.081 40.630 40.800 -0.149 0.000 1.050 179 D HN 0.236 nan 8.370 nan 0.000 0.491 180 H N 4.361 123.493 119.070 0.105 0.000 2.799 180 H HA 0.152 4.708 4.556 0.000 0.000 0.225 180 H C -0.103 175.335 175.328 0.183 0.000 1.904 180 H CA -0.255 55.847 56.048 0.091 0.000 1.344 180 H CB 0.080 29.850 29.762 0.013 0.000 1.744 180 H HN 0.322 nan 8.280 nan 0.000 0.542 181 H N 0.845 120.054 119.070 0.232 0.000 3.064 181 H HA -0.027 4.529 4.556 0.000 0.000 0.352 181 H C 0.685 176.064 175.328 0.085 0.000 1.260 181 H CA -0.437 55.695 56.048 0.140 0.000 1.160 181 H CB 1.662 31.508 29.762 0.140 0.000 1.879 181 H HN 0.574 nan 8.280 nan 0.000 0.544 182 E N 2.762 122.924 120.200 -0.063 0.000 2.114 182 E HA -0.146 4.204 4.350 0.000 0.000 0.199 182 E C -0.534 176.005 176.600 -0.101 0.000 1.008 182 E CA 1.172 57.542 56.400 -0.051 0.000 0.810 182 E CB 0.222 29.862 29.700 -0.100 0.000 0.739 182 E HN 0.365 nan 8.360 nan 0.000 0.456 183 K N 0.416 120.889 120.400 0.121 0.000 2.213 183 K HA 0.252 4.572 4.320 0.000 0.000 0.270 183 K C -1.160 175.335 176.600 -0.174 0.000 1.002 183 K CA -0.344 55.742 56.287 -0.335 0.000 0.868 183 K CB 1.163 33.278 32.500 -0.640 0.000 1.093 183 K HN 0.215 nan 8.250 nan 0.000 0.454 184 H N 3.696 122.729 119.070 -0.061 0.000 2.882 184 H HA 0.087 4.643 4.556 0.000 0.000 0.258 184 H C 0.704 175.996 175.328 -0.061 0.000 1.579 184 H CA -0.372 55.658 56.048 -0.029 0.000 1.340 184 H CB 0.074 29.851 29.762 0.024 0.000 1.645 184 H HN 0.379 nan 8.280 nan 0.000 0.541 185 L N 0.964 122.195 121.223 0.014 0.000 2.418 185 L HA -0.092 4.248 4.340 0.000 0.000 0.218 185 L C 2.363 179.176 176.870 -0.097 0.000 1.125 185 L CA 0.379 55.292 54.840 0.122 0.000 0.835 185 L CB -0.149 41.975 42.059 0.108 0.000 0.953 185 L HN 0.563 nan 8.230 nan 0.000 0.454 186 S N 0.516 115.871 115.700 -0.574 0.000 2.387 186 S HA -0.202 4.268 4.470 0.000 0.000 0.230 186 S C 1.965 176.342 174.600 -0.370 0.000 1.035 186 S CA 1.430 59.041 58.200 -0.982 0.000 1.014 186 S CB -1.229 61.292 63.200 -1.132 0.000 0.836 186 S HN 0.369 nan 8.310 nan 0.000 0.466 187 V N -1.971 117.675 119.914 -0.446 0.000 2.867 187 V HA 0.050 4.170 4.120 0.000 0.000 0.260 187 V C 1.906 177.711 176.094 -0.482 0.000 1.099 187 V CA 1.196 63.166 62.300 -0.550 0.000 1.122 187 V CB -1.470 29.673 31.823 -1.133 0.000 0.708 187 V HN 0.371 nan 8.190 nan 0.000 0.490 188 F N 1.087 120.977 119.950 -0.100 0.000 2.615 188 F HA 0.321 4.848 4.527 -0.000 0.000 0.297 188 F C 1.387 177.317 175.800 0.217 0.000 1.124 188 F CA 0.226 58.216 58.000 -0.017 0.000 1.451 188 F CB -0.224 38.778 39.000 0.003 0.000 1.103 188 F HN 0.101 nan 8.300 nan 0.000 0.569 189 S N 0.427 116.351 115.700 0.374 0.000 2.482 189 S HA 0.446 4.916 4.470 0.000 0.000 0.303 189 S C 0.019 174.803 174.600 0.305 0.000 1.091 189 S CA -0.853 57.584 58.200 0.393 0.000 1.057 189 S CB 1.405 64.848 63.200 0.406 0.000 1.031 189 S HN -0.088 nan 8.310 nan 0.000 0.485 190 R N 2.991 123.623 120.500 0.220 0.000 2.893 190 R HA 0.300 4.640 4.340 0.000 0.000 0.243 190 R C -0.097 176.072 176.300 -0.218 0.000 1.481 190 R CA 0.034 56.226 56.100 0.153 0.000 1.250 190 R CB -0.993 29.408 30.300 0.168 0.000 1.213 190 R HN 0.548 nan 8.270 nan 0.000 0.609 191 K N -0.293 120.046 120.400 -0.101 0.000 2.527 191 K HA 0.490 4.810 4.320 0.000 0.000 0.260 191 K C -1.049 175.607 176.600 0.093 0.000 0.937 191 K CA -0.731 55.405 56.287 -0.252 0.000 0.826 191 K CB 2.081 34.581 32.500 -0.001 0.000 1.359 191 K HN 0.346 nan 8.250 nan 0.000 0.434 192 A N 4.580 127.432 122.820 0.053 0.000 2.553 192 A HA 0.126 4.446 4.320 0.000 0.000 0.258 192 A C -1.960 175.819 177.584 0.324 0.000 1.069 192 A CA -0.706 51.521 52.037 0.318 0.000 0.767 192 A CB -0.339 18.831 19.000 0.284 0.000 0.997 192 A HN 0.613 nan 8.150 nan 0.000 0.512 193 P HA -0.247 nan 4.420 nan 0.000 0.215 193 P C 1.313 178.866 177.300 0.423 0.000 1.157 193 P CA 2.119 65.410 63.100 0.319 0.000 0.874 193 P CB -0.189 31.626 31.700 0.192 0.000 0.790 194 Y N -0.336 120.057 120.300 0.156 0.000 2.483 194 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 194 Y C 2.064 178.042 175.900 0.131 0.000 1.143 194 Y CA 1.079 59.299 58.100 0.199 0.000 1.289 194 Y CB -1.499 37.087 38.460 0.209 0.000 0.983 194 Y HN -0.023 nan 8.280 nan 0.000 0.556 195 S N -0.550 114.789 115.700 -0.603 0.000 2.442 195 S HA -0.234 4.236 4.470 0.000 0.000 0.236 195 S C 1.244 175.580 174.600 -0.440 0.000 1.007 195 S CA 0.917 58.669 58.200 -0.747 0.000 0.965 195 S CB -1.248 61.575 63.200 -0.627 0.000 0.773 195 S HN 0.681 nan 8.310 nan 0.000 0.504 196 Y N 2.648 122.826 120.300 -0.204 0.000 2.529 196 Y HA 0.404 4.954 4.550 -0.000 0.000 0.290 196 Y C 1.528 177.294 175.900 -0.223 0.000 1.177 196 Y CA 0.212 58.228 58.100 -0.141 0.000 1.305 196 Y CB -0.294 38.134 38.460 -0.054 0.000 1.047 196 Y HN 0.602 nan 8.280 nan 0.000 0.522 197 G N -0.901 107.796 108.800 -0.172 0.000 2.515 197 G HA2 -0.071 3.889 3.960 0.000 0.000 0.686 197 G HA3 -0.071 3.889 3.960 0.000 0.000 0.686 197 G C -1.402 173.307 174.900 -0.319 0.000 1.274 197 G CA -0.845 44.002 45.100 -0.422 0.000 0.874 197 G HN 0.162 nan 8.290 nan 0.000 0.631 198 W N 0.020 120.939 121.300 -0.634 0.000 2.923 198 W HA 0.361 5.021 4.660 0.000 0.000 0.373 198 W C 0.046 176.309 176.519 -0.426 0.000 1.205 198 W CA 0.329 57.295 57.345 -0.632 0.000 1.180 198 W CB 1.421 30.238 29.460 -1.072 0.000 1.477 198 W HN 0.811 nan 8.180 nan 0.000 0.581 199 D N -0.483 119.649 120.400 -0.447 0.000 2.352 199 D HA -0.086 4.554 4.640 0.000 0.000 0.232 199 D C 0.878 177.327 176.300 0.248 0.000 1.055 199 D CA 0.622 54.601 54.000 -0.035 0.000 0.891 199 D CB -0.575 40.236 40.800 0.019 0.000 0.897 199 D HN 0.417 nan 8.370 nan 0.000 0.529 200 W N -1.391 120.230 121.300 0.536 0.000 2.284 200 W HA 0.595 5.255 4.660 0.000 0.000 0.334 200 W C -0.185 176.636 176.519 0.504 0.000 0.917 200 W CA -0.871 56.733 57.345 0.432 0.000 1.621 200 W CB 0.104 29.830 29.460 0.443 0.000 1.129 200 W HN -0.004 nan 8.180 nan 0.000 0.528 201 G N 1.726 110.720 108.800 0.325 0.000 2.563 201 G HA2 0.555 4.515 3.960 0.000 0.000 0.302 201 G HA3 0.555 4.515 3.960 0.000 0.000 0.302 201 G C -1.425 173.323 174.900 -0.252 0.000 1.301 201 G CA -0.932 44.296 45.100 0.214 0.000 0.965 201 G HN 0.107 nan 8.290 nan 0.000 0.480 202 I N 0.411 120.372 120.570 -1.014 0.000 2.581 202 I HA 0.400 4.570 4.170 0.000 0.000 0.288 202 I C 0.604 176.401 176.117 -0.534 0.000 1.047 202 I CA -0.908 59.760 61.300 -1.053 0.000 1.374 202 I CB 0.834 37.788 38.000 -1.743 0.000 1.423 202 I HN 0.408 nan 8.210 nan 0.000 0.549 203 R N 8.356 128.649 120.500 -0.346 0.000 2.210 203 R HA 0.405 4.745 4.340 0.000 0.000 0.338 203 R C -1.295 174.809 176.300 -0.327 0.000 1.062 203 R CA -0.207 55.731 56.100 -0.270 0.000 0.902 203 R CB 0.418 30.657 30.300 -0.101 0.000 1.050 203 R HN 0.679 nan 8.270 nan 0.000 0.461 204 M N 5.705 125.045 119.600 -0.434 0.000 1.949 204 M HA 0.165 4.645 4.480 0.000 0.000 0.234 204 M C -0.951 175.003 176.300 -0.577 0.000 0.855 204 M CA -0.648 54.316 55.300 -0.560 0.000 0.800 204 M CB 2.067 34.268 32.600 -0.664 0.000 1.697 204 M HN 0.206 nan 8.290 nan 0.000 0.357 205 V N 1.604 121.248 119.914 -0.450 0.000 2.302 205 V HA 0.084 4.204 4.120 0.000 0.000 0.244 205 V C 0.739 176.679 176.094 -0.258 0.000 1.160 205 V CA 0.446 62.465 62.300 -0.470 0.000 1.127 205 V CB 0.159 31.670 31.823 -0.519 0.000 1.253 205 V HN 0.725 nan 8.190 nan 0.000 0.496 206 T N 3.407 117.777 114.554 -0.306 0.000 2.884 206 T HA 0.649 4.999 4.350 0.000 0.000 0.277 206 T C 0.049 174.627 174.700 -0.203 0.000 0.976 206 T CA -0.222 61.785 62.100 -0.156 0.000 0.956 206 T CB 1.408 70.155 68.868 -0.202 0.000 1.113 206 T HN 0.622 nan 8.240 nan 0.000 0.554 207 S N -1.047 114.495 115.700 -0.263 0.000 2.607 207 S HA 0.867 5.337 4.470 0.000 0.000 0.273 207 S C -0.270 173.942 174.600 -0.646 0.000 1.148 207 S CA -0.136 57.836 58.200 -0.380 0.000 0.833 207 S CB 1.701 64.732 63.200 -0.282 0.000 1.130 207 S HN 1.336 nan 8.310 nan 0.000 0.470 208 G N -0.293 107.902 108.800 -1.008 0.000 2.357 208 G HA2 0.218 4.178 3.960 0.000 0.000 0.289 208 G HA3 0.218 4.178 3.960 0.000 0.000 0.289 208 G C -1.845 172.734 174.900 -0.536 0.000 1.302 208 G CA -0.640 43.707 45.100 -1.256 0.000 0.936 208 G HN 0.872 nan 8.290 nan 0.000 0.513 209 V N 2.473 122.124 119.914 -0.438 0.000 2.299 209 V HA 0.248 4.368 4.120 0.000 0.000 0.255 209 V C 1.323 177.378 176.094 -0.065 0.000 1.100 209 V CA 0.220 62.449 62.300 -0.118 0.000 0.938 209 V CB -0.025 31.606 31.823 -0.320 0.000 1.139 209 V HN 0.787 nan 8.190 nan 0.000 0.490 210 W N 5.241 126.472 121.300 -0.114 0.000 3.003 210 W HA 0.296 4.957 4.660 0.001 0.000 0.257 210 W C 0.360 176.876 176.519 -0.005 0.000 1.308 210 W CA -0.491 56.806 57.345 -0.079 0.000 1.529 210 W CB 0.184 29.609 29.460 -0.059 0.000 1.115 210 W HN 0.339 nan 8.180 nan 0.000 0.659 211 R N 0.102 120.341 120.500 -0.435 0.000 2.905 211 R HA 0.431 4.771 4.340 0.000 0.000 0.260 211 R C -2.552 173.639 176.300 -0.182 0.000 1.086 211 R CA -2.086 53.769 56.100 -0.409 0.000 0.978 211 R CB 1.170 31.061 30.300 -0.683 0.000 1.215 211 R HN -0.397 nan 8.270 nan 0.000 0.480 212 P HA 0.060 nan 4.420 nan 0.000 0.269 212 P C -1.010 176.263 177.300 -0.046 0.000 1.215 212 P CA -0.185 62.877 63.100 -0.063 0.000 0.780 212 P CB 0.576 32.248 31.700 -0.047 0.000 0.898 213 V N 2.477 122.370 119.914 -0.035 0.000 2.448 213 V HA 0.505 4.625 4.120 0.000 0.000 0.295 213 V C 0.098 176.117 176.094 -0.125 0.000 1.025 213 V CA -0.133 62.091 62.300 -0.126 0.000 0.859 213 V CB 1.847 33.657 31.823 -0.023 0.000 0.988 213 V HN 0.505 nan 8.190 nan 0.000 0.431 214 T N 5.514 119.941 114.554 -0.212 0.000 2.912 214 T HA 0.630 4.980 4.350 0.000 0.000 0.299 214 T C -0.829 173.728 174.700 -0.240 0.000 1.052 214 T CA -0.424 61.578 62.100 -0.164 0.000 0.996 214 T CB 1.621 70.427 68.868 -0.103 0.000 1.070 214 T HN 0.374 nan 8.240 nan 0.000 0.465 215 L N 2.714 123.797 121.223 -0.233 0.000 2.307 215 L HA 0.644 4.984 4.340 0.000 0.000 0.284 215 L C 0.085 176.774 176.870 -0.300 0.000 1.023 215 L CA -0.763 53.868 54.840 -0.349 0.000 0.810 215 L CB 1.501 43.287 42.059 -0.454 0.000 1.231 215 L HN 0.404 nan 8.230 nan 0.000 0.423 216 R N 3.521 123.818 120.500 -0.339 0.000 2.409 216 R HA 0.498 4.838 4.340 0.000 0.000 0.313 216 R C -1.687 174.530 176.300 -0.138 0.000 0.953 216 R CA -0.415 55.604 56.100 -0.134 0.000 0.849 216 R CB 0.863 31.142 30.300 -0.034 0.000 1.171 216 R HN 0.324 nan 8.270 nan 0.000 0.458 217 F N 6.096 126.128 119.950 0.136 0.000 2.411 217 F HA 0.409 4.936 4.527 0.000 0.000 0.352 217 F C -0.346 175.550 175.800 0.159 0.000 1.123 217 F CA -0.683 57.380 58.000 0.104 0.000 1.044 217 F CB 1.021 40.044 39.000 0.038 0.000 1.135 217 F HN 0.471 nan 8.300 nan 0.000 0.461 218 Y N -0.552 119.835 120.300 0.144 0.000 2.655 218 Y HA 0.692 5.242 4.550 -0.000 0.000 0.336 218 Y C -1.654 174.283 175.900 0.061 0.000 1.154 218 Y CA -1.553 56.596 58.100 0.081 0.000 1.055 218 Y CB 1.364 39.847 38.460 0.040 0.000 1.295 218 Y HN 0.333 nan 8.280 nan 0.000 0.465 219 D N 2.525 123.010 120.400 0.142 0.000 2.248 219 D HA 0.424 5.064 4.640 0.000 0.000 0.246 219 D C 0.680 177.077 176.300 0.162 0.000 1.027 219 D CA -0.093 53.932 54.000 0.042 0.000 0.853 219 D CB 2.092 42.916 40.800 0.040 0.000 1.243 219 D HN 0.772 nan 8.370 nan 0.000 0.462 220 I N -0.580 120.039 120.570 0.081 0.000 4.624 220 I HA -0.368 3.802 4.170 0.000 0.000 0.049 220 I C 0.473 176.712 176.117 0.203 0.000 0.621 220 I CA 1.632 62.998 61.300 0.109 0.000 0.836 220 I CB -1.817 36.231 38.000 0.080 0.000 0.765 220 I HN 0.644 nan 8.210 nan 0.000 0.159 221 A N 0.118 123.109 122.820 0.285 0.000 2.610 221 A HA 0.755 5.075 4.320 0.000 0.000 0.291 221 A C -0.198 177.371 177.584 -0.024 0.000 1.086 221 A CA 0.410 52.556 52.037 0.182 0.000 0.677 221 A CB 1.574 20.612 19.000 0.062 0.000 1.278 221 A HN 0.617 nan 8.150 nan 0.000 0.414 222 T N -1.123 113.295 114.554 -0.228 0.000 2.908 222 T HA 0.718 5.068 4.350 0.000 0.000 0.290 222 T C -0.444 174.156 174.700 -0.167 0.000 1.034 222 T CA -0.460 61.442 62.100 -0.330 0.000 1.010 222 T CB 1.017 69.557 68.868 -0.546 0.000 1.068 222 T HN 0.531 nan 8.240 nan 0.000 0.481 223 I N 2.876 123.366 120.570 -0.134 0.000 2.308 223 I HA 0.151 4.321 4.170 0.000 0.000 0.293 223 I C 1.086 177.165 176.117 -0.062 0.000 1.078 223 I CA -0.379 60.872 61.300 -0.082 0.000 1.292 223 I CB 1.082 39.037 38.000 -0.075 0.000 1.423 223 I HN 0.786 nan 8.210 nan 0.000 0.493 224 S N 3.383 119.054 115.700 -0.049 0.000 2.461 224 S HA -0.029 4.441 4.470 0.000 0.000 0.228 224 S C 0.223 174.830 174.600 0.011 0.000 1.005 224 S CA 0.468 58.650 58.200 -0.030 0.000 0.942 224 S CB -0.157 63.024 63.200 -0.031 0.000 0.776 224 S HN 0.755 nan 8.310 nan 0.000 0.514 225 D N -1.000 119.429 120.400 0.049 0.000 2.886 225 D HA 0.394 5.034 4.640 0.000 0.000 0.216 225 D C -1.995 174.448 176.300 0.237 0.000 1.256 225 D CA -0.529 53.539 54.000 0.114 0.000 0.844 225 D CB 1.167 42.019 40.800 0.085 0.000 1.669 225 D HN -0.027 nan 8.370 nan 0.000 0.513 226 Y N 3.873 124.260 120.300 0.146 0.000 2.346 226 Y HA 0.528 5.078 4.550 0.001 0.000 0.332 226 Y C -2.253 173.809 175.900 0.269 0.000 0.985 226 Y CA -1.236 56.984 58.100 0.200 0.000 1.112 226 Y CB 0.836 39.398 38.460 0.169 0.000 1.170 226 Y HN 0.395 nan 8.280 nan 0.000 0.447 227 Y N 6.470 126.801 120.300 0.053 0.000 2.326 227 Y HA 0.611 5.161 4.550 0.000 0.000 0.331 227 Y C -1.529 174.206 175.900 -0.274 0.000 0.962 227 Y CA -1.840 56.146 58.100 -0.191 0.000 1.167 227 Y CB 1.208 39.634 38.460 -0.058 0.000 1.148 227 Y HN 0.349 nan 8.280 nan 0.000 0.463 228 V N 8.194 127.806 119.914 -0.503 0.000 2.339 228 V HA 0.356 4.476 4.120 0.000 0.000 0.261 228 V C 0.249 175.911 176.094 -0.721 0.000 1.058 228 V CA -0.485 61.449 62.300 -0.610 0.000 0.897 228 V CB 0.265 31.604 31.823 -0.807 0.000 1.052 228 V HN 0.677 nan 8.190 nan 0.000 0.480 229 R N 4.198 124.220 120.500 -0.798 0.000 2.254 229 R HA 0.327 4.667 4.340 0.000 0.000 0.318 229 R C -0.049 176.021 176.300 -0.383 0.000 1.031 229 R CA -0.467 55.160 56.100 -0.787 0.000 0.905 229 R CB 0.891 30.673 30.300 -0.864 0.000 1.050 229 R HN 0.766 nan 8.270 nan 0.000 0.456 230 Q N 5.074 124.708 119.800 -0.277 0.000 2.314 230 Q HA 0.121 4.461 4.340 0.000 0.000 0.257 230 Q C 0.272 176.201 176.000 -0.118 0.000 0.975 230 Q CA -0.239 55.460 55.803 -0.173 0.000 0.933 230 Q CB 1.093 29.745 28.738 -0.142 0.000 1.195 230 Q HN 0.786 nan 8.270 nan 0.000 0.426 231 L N 2.151 123.317 121.223 -0.095 0.000 2.168 231 L HA 0.123 4.463 4.340 0.000 0.000 0.203 231 L C 0.681 177.526 176.870 -0.042 0.000 1.078 231 L CA 0.426 55.227 54.840 -0.065 0.000 0.780 231 L CB 0.018 42.043 42.059 -0.056 0.000 0.939 231 L HN 0.679 nan 8.230 nan 0.000 0.451 232 S N -0.898 114.780 115.700 -0.037 0.000 2.567 232 S HA 0.624 5.094 4.470 0.000 0.000 0.270 232 S C -1.354 173.237 174.600 -0.015 0.000 1.152 232 S CA -0.820 57.367 58.200 -0.021 0.000 0.835 232 S CB 2.477 65.668 63.200 -0.014 0.000 1.115 232 S HN -0.007 nan 8.310 nan 0.000 0.459 233 L N 1.729 122.951 121.223 -0.002 0.000 2.516 233 L HA 0.824 5.164 4.340 0.000 0.000 0.267 233 L C -0.477 176.405 176.870 0.020 0.000 0.957 233 L CA 0.436 55.282 54.840 0.009 0.000 0.860 233 L CB 1.800 43.869 42.059 0.017 0.000 1.265 233 L HN 1.275 nan 8.230 nan 0.000 0.403 234 T N -0.745 113.822 114.554 0.022 0.000 2.864 234 T HA 0.453 4.803 4.350 0.000 0.000 0.289 234 T C 0.307 175.027 174.700 0.033 0.000 1.082 234 T CA -0.507 61.609 62.100 0.026 0.000 1.009 234 T CB 1.309 70.188 68.868 0.019 0.000 1.234 234 T HN 0.441 nan 8.240 nan 0.000 0.526 235 D N 0.261 120.681 120.400 0.033 0.000 2.218 235 D HA -0.014 4.626 4.640 0.000 0.000 0.204 235 D C 1.597 177.918 176.300 0.035 0.000 0.976 235 D CA 1.236 55.258 54.000 0.037 0.000 0.853 235 D CB 0.049 40.867 40.800 0.030 0.000 0.939 235 D HN 0.674 nan 8.370 nan 0.000 0.481 236 E N -0.515 119.701 120.200 0.027 0.000 2.190 236 E HA 0.103 4.453 4.350 0.000 0.000 0.191 236 E C 0.280 176.894 176.600 0.023 0.000 0.978 236 E CA 0.321 56.735 56.400 0.024 0.000 0.839 236 E CB 0.312 30.022 29.700 0.018 0.000 0.787 236 E HN 0.018 nan 8.360 nan 0.000 0.473 237 N N -0.862 117.849 118.700 0.020 0.000 2.367 237 N HA 0.518 5.258 4.740 0.000 0.000 0.278 237 N C -2.008 173.505 175.510 0.007 0.000 1.117 237 N CA -0.408 52.650 53.050 0.012 0.000 0.867 237 N CB 1.688 40.179 38.487 0.007 0.000 1.649 237 N HN -0.012 nan 8.380 nan 0.000 0.479 238 A N 2.533 125.351 122.820 -0.004 0.000 2.303 238 A HA 0.739 5.059 4.320 0.000 0.000 0.320 238 A C -0.605 176.970 177.584 -0.016 0.000 1.192 238 A CA -0.593 51.434 52.037 -0.016 0.000 0.821 238 A CB 0.541 19.517 19.000 -0.039 0.000 1.188 238 A HN 0.638 nan 8.150 nan 0.000 0.492 239 R N 2.289 122.778 120.500 -0.018 0.000 2.338 239 R HA 0.629 4.969 4.340 0.000 0.000 0.317 239 R C -1.207 175.075 176.300 -0.031 0.000 0.968 239 R CA -0.653 55.436 56.100 -0.017 0.000 0.849 239 R CB 1.351 31.642 30.300 -0.017 0.000 1.128 239 R HN 0.454 nan 8.270 nan 0.000 0.448 240 L N 1.194 122.409 121.223 -0.013 0.000 2.354 240 L HA 0.457 4.797 4.340 0.000 0.000 0.269 240 L C -0.004 176.850 176.870 -0.026 0.000 1.005 240 L CA -0.456 54.364 54.840 -0.034 0.000 0.819 240 L CB 1.868 43.957 42.059 0.050 0.000 1.311 240 L HN 0.576 nan 8.230 nan 0.000 0.423 241 S N 2.723 118.371 115.700 -0.087 0.000 2.474 241 S HA 0.479 4.949 4.470 0.000 0.000 0.321 241 S C -0.512 174.053 174.600 -0.059 0.000 1.080 241 S CA -0.703 57.460 58.200 -0.062 0.000 1.106 241 S CB 0.309 63.455 63.200 -0.089 0.000 0.984 241 S HN 0.585 nan 8.310 nan 0.000 0.464 242 N N 4.658 123.398 118.700 0.067 0.000 2.414 242 N HA 0.185 4.925 4.740 0.000 0.000 0.256 242 N C -0.898 174.724 175.510 0.187 0.000 1.029 242 N CA -0.097 53.078 53.050 0.209 0.000 0.948 242 N CB 1.104 39.798 38.487 0.346 0.000 1.102 242 N HN 0.694 nan 8.380 nan 0.000 0.496 243 E N 2.604 122.934 120.200 0.216 0.000 2.114 243 E HA 0.357 4.707 4.350 0.000 0.000 0.266 243 E C -0.651 176.132 176.600 0.306 0.000 0.896 243 E CA -0.474 56.052 56.400 0.210 0.000 0.750 243 E CB 1.586 31.399 29.700 0.189 0.000 1.121 243 E HN 0.300 nan 8.360 nan 0.000 0.413 244 L N 4.144 125.491 121.223 0.206 0.000 2.329 244 L HA 0.525 4.865 4.340 0.000 0.000 0.279 244 L C -0.430 176.501 176.870 0.102 0.000 1.014 244 L CA -0.588 54.341 54.840 0.148 0.000 0.814 244 L CB 1.426 43.497 42.059 0.021 0.000 1.257 244 L HN 0.440 nan 8.230 nan 0.000 0.424 245 I N 3.580 124.192 120.570 0.070 0.000 2.355 245 I HA 0.391 4.561 4.170 0.000 0.000 0.288 245 I C -0.783 175.297 176.117 -0.062 0.000 0.999 245 I CA -0.652 60.621 61.300 -0.045 0.000 1.163 245 I CB 1.681 39.666 38.000 -0.025 0.000 1.316 245 I HN 0.187 nan 8.210 nan 0.000 0.454 246 V N 6.470 126.324 119.914 -0.099 0.000 2.444 246 V HA 0.297 4.417 4.120 0.000 0.000 0.294 246 V C -0.087 175.962 176.094 -0.075 0.000 1.022 246 V CA -0.704 61.551 62.300 -0.075 0.000 0.850 246 V CB 1.885 33.674 31.823 -0.057 0.000 0.992 246 V HN 0.721 nan 8.190 nan 0.000 0.426 247 N N 4.432 123.096 118.700 -0.060 0.000 2.469 247 N HA 0.268 5.008 4.740 0.000 0.000 0.253 247 N C -0.603 174.918 175.510 0.019 0.000 0.970 247 N CA -0.365 52.667 53.050 -0.029 0.000 0.940 247 N CB 1.488 39.959 38.487 -0.028 0.000 1.128 247 N HN 0.813 nan 8.380 nan 0.000 0.503 248 Q N 4.291 124.111 119.800 0.034 0.000 2.278 248 Q HA 0.177 4.517 4.340 0.000 0.000 0.257 248 Q C 0.237 176.290 176.000 0.089 0.000 0.928 248 Q CA -0.431 55.414 55.803 0.070 0.000 0.932 248 Q CB 1.360 30.123 28.738 0.041 0.000 1.221 248 Q HN 0.684 nan 8.270 nan 0.000 0.434 249 I N 4.455 125.105 120.570 0.134 0.000 3.228 249 I HA 0.025 4.195 4.170 0.000 0.000 0.279 249 I C 0.098 176.239 176.117 0.041 0.000 1.221 249 I CA 0.283 61.644 61.300 0.102 0.000 1.458 249 I CB 0.933 39.011 38.000 0.130 0.000 1.105 249 I HN 0.565 nan 8.210 nan 0.000 0.445 250 V N -0.787 119.147 119.914 0.034 0.000 2.785 250 V HA 0.421 4.541 4.120 0.000 0.000 0.300 250 V C -1.506 174.599 176.094 0.017 0.000 1.062 250 V CA -1.150 61.159 62.300 0.014 0.000 1.029 250 V CB 0.291 32.119 31.823 0.010 0.000 1.024 250 V HN 0.070 nan 8.190 nan 0.000 0.477 251 P HA -0.003 nan 4.420 nan 0.000 0.231 251 P C 0.291 177.598 177.300 0.012 0.000 1.168 251 P CA 0.744 63.851 63.100 0.012 0.000 0.779 251 P CB 0.242 31.947 31.700 0.009 0.000 0.844 252 Q N 0.220 120.027 119.800 0.011 0.000 2.199 252 Q HA 0.248 4.588 4.340 0.000 0.000 0.232 252 Q C -0.133 175.874 176.000 0.012 0.000 0.969 252 Q CA -0.560 55.250 55.803 0.010 0.000 0.925 252 Q CB 0.766 29.509 28.738 0.008 0.000 1.198 252 Q HN -0.130 nan 8.270 nan 0.000 0.494 253 K N 1.365 121.771 120.400 0.010 0.000 2.383 253 K HA 0.289 4.609 4.320 0.000 0.000 0.286 253 K C -0.272 176.334 176.600 0.010 0.000 1.051 253 K CA -0.166 56.127 56.287 0.010 0.000 0.974 253 K CB 0.267 32.773 32.500 0.009 0.000 0.968 253 K HN 0.539 nan 8.250 nan 0.000 0.475 254 I N 6.496 127.073 120.570 0.011 0.000 2.355 254 I HA 0.207 4.377 4.170 0.000 0.000 0.288 254 I C -2.101 174.021 176.117 0.009 0.000 0.999 254 I CA -2.871 58.435 61.300 0.011 0.000 1.163 254 I CB 1.427 39.436 38.000 0.015 0.000 1.316 254 I HN 0.214 nan 8.210 nan 0.000 0.454 255 P HA 0.345 nan 4.420 nan 0.000 0.276 255 P C -0.862 176.440 177.300 0.004 0.000 1.235 255 P CA -0.095 63.008 63.100 0.005 0.000 0.772 255 P CB 1.608 33.311 31.700 0.004 0.000 0.871 256 A N 2.454 125.275 122.820 0.002 0.000 2.594 256 A HA 0.577 4.897 4.320 0.000 0.000 0.291 256 A C -1.133 176.448 177.584 -0.005 0.000 1.105 256 A CA -0.675 51.361 52.037 -0.001 0.000 0.694 256 A CB 1.467 20.466 19.000 -0.002 0.000 1.291 256 A HN 0.514 nan 8.150 nan 0.000 0.410 257 E N 0.677 120.872 120.200 -0.008 0.000 2.158 257 E HA 0.565 4.915 4.350 0.000 0.000 0.271 257 E C -1.439 175.149 176.600 -0.021 0.000 0.911 257 E CA -0.519 55.873 56.400 -0.012 0.000 0.767 257 E CB 1.569 31.262 29.700 -0.011 0.000 1.120 257 E HN 0.439 nan 8.360 nan 0.000 0.405 258 V N 5.193 125.093 119.914 -0.024 0.000 2.432 258 V HA 0.431 4.551 4.120 0.000 0.000 0.275 258 V C 0.040 176.110 176.094 -0.040 0.000 1.043 258 V CA -0.425 61.852 62.300 -0.040 0.000 0.925 258 V CB 1.151 32.949 31.823 -0.041 0.000 0.985 258 V HN 0.665 nan 8.190 nan 0.000 0.466 259 R N 3.248 123.716 120.500 -0.054 0.000 2.534 259 R HA 0.742 5.082 4.340 0.000 0.000 0.301 259 R C -1.513 174.750 176.300 -0.061 0.000 0.961 259 R CA -0.658 55.414 56.100 -0.046 0.000 0.871 259 R CB 2.423 32.699 30.300 -0.039 0.000 1.170 259 R HN 0.505 nan 8.270 nan 0.000 0.446 260 V N 3.376 123.265 119.914 -0.041 0.000 2.409 260 V HA 0.262 4.382 4.120 0.000 0.000 0.291 260 V C -0.401 175.670 176.094 -0.038 0.000 1.020 260 V CA -0.860 61.424 62.300 -0.027 0.000 0.848 260 V CB 1.569 33.413 31.823 0.036 0.000 0.990 260 V HN 0.702 nan 8.190 nan 0.000 0.430 261 N N 4.177 122.851 118.700 -0.044 0.000 2.421 261 N HA 0.479 5.219 4.740 0.000 0.000 0.285 261 N C -1.327 174.088 175.510 -0.158 0.000 1.027 261 N CA -0.241 52.764 53.050 -0.075 0.000 0.918 261 N CB 2.097 40.558 38.487 -0.043 0.000 1.152 261 N HN 0.385 nan 8.380 nan 0.000 0.485 262 V N 2.716 122.476 119.914 -0.256 0.000 2.384 262 V HA 0.417 4.537 4.120 0.000 0.000 0.287 262 V C -0.016 175.978 176.094 -0.166 0.000 1.020 262 V CA -0.576 61.451 62.300 -0.454 0.000 0.850 262 V CB 1.033 32.420 31.823 -0.727 0.000 0.987 262 V HN 0.814 nan 8.190 nan 0.000 0.436 263 S N 5.123 120.789 115.700 -0.057 0.000 2.595 263 S HA 0.904 5.374 4.470 0.000 0.000 0.281 263 S C -1.286 173.353 174.600 0.065 0.000 1.117 263 S CA -0.851 57.363 58.200 0.023 0.000 0.873 263 S CB 2.316 65.517 63.200 0.002 0.000 1.108 263 S HN 0.666 nan 8.310 nan 0.000 0.477 264 L N 1.919 123.130 121.223 -0.021 0.000 2.439 264 L HA 0.591 4.931 4.340 0.000 0.000 0.270 264 L C -0.520 176.286 176.870 -0.108 0.000 0.972 264 L CA 0.166 54.900 54.840 -0.178 0.000 0.836 264 L CB 0.938 42.745 42.059 -0.420 0.000 1.255 264 L HN 0.869 nan 8.230 nan 0.000 0.404 265 N N 4.369 123.018 118.700 -0.086 0.000 2.727 265 N HA -0.214 4.526 4.740 0.000 0.000 0.249 265 N C 0.938 176.432 175.510 -0.027 0.000 1.048 265 N CA 1.409 54.430 53.050 -0.049 0.000 0.714 265 N CB -1.045 37.407 38.487 -0.057 0.000 0.959 265 N HN 1.317 nan 8.380 nan 0.000 0.544 266 G N -2.518 106.273 108.800 -0.016 0.000 2.176 266 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 266 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 266 G C 0.094 174.990 174.900 -0.008 0.000 0.979 266 G CA 0.616 45.712 45.100 -0.007 0.000 0.641 266 G HN 0.518 nan 8.290 nan 0.000 0.530 267 T N 1.802 116.349 114.554 -0.012 0.000 2.792 267 T HA 0.554 4.904 4.350 0.000 0.000 0.280 267 T C 0.282 174.981 174.700 -0.003 0.000 0.990 267 T CA 0.095 62.191 62.100 -0.007 0.000 0.960 267 T CB 1.675 70.539 68.868 -0.007 0.000 0.939 267 T HN 0.211 nan 8.240 nan 0.000 0.439 268 T N 2.849 117.400 114.554 -0.005 0.000 2.871 268 T HA 0.121 4.471 4.350 0.000 0.000 0.296 268 T C 1.743 176.443 174.700 0.001 0.000 0.998 268 T CA -0.143 61.951 62.100 -0.010 0.000 1.162 268 T CB 0.449 69.307 68.868 -0.016 0.000 0.947 268 T HN 0.573 nan 8.240 nan 0.000 0.536 269 V N 1.032 120.950 119.914 0.005 0.000 2.788 269 V HA 0.378 4.498 4.120 0.000 0.000 0.241 269 V C 0.902 176.990 176.094 -0.011 0.000 1.083 269 V CA 0.638 62.953 62.300 0.024 0.000 1.103 269 V CB 0.191 32.077 31.823 0.105 0.000 0.800 269 V HN 0.792 nan 8.190 nan 0.000 0.476 270 T N 0.145 114.667 114.554 -0.053 0.000 2.883 270 T HA 0.526 4.876 4.350 0.000 0.000 0.301 270 T C -1.776 172.879 174.700 -0.075 0.000 1.158 270 T CA -0.470 61.595 62.100 -0.060 0.000 1.007 270 T CB 2.223 71.055 68.868 -0.060 0.000 1.186 270 T HN 0.504 nan 8.240 nan 0.000 0.499 271 E N 1.745 121.915 120.200 -0.050 0.000 2.275 271 E HA 0.564 4.914 4.350 0.000 0.000 0.270 271 E C -0.955 175.626 176.600 -0.031 0.000 0.882 271 E CA -0.674 55.699 56.400 -0.044 0.000 0.758 271 E CB 2.204 31.885 29.700 -0.032 0.000 1.195 271 E HN 0.648 nan 8.360 nan 0.000 0.419 272 V N -0.113 119.785 119.914 -0.026 0.000 2.914 272 V HA 0.815 4.935 4.120 0.000 0.000 0.314 272 V C -0.705 175.381 176.094 -0.014 0.000 1.084 272 V CA -0.943 61.348 62.300 -0.014 0.000 0.963 272 V CB 2.139 33.961 31.823 -0.002 0.000 1.025 272 V HN 0.714 nan 8.190 nan 0.000 0.432 273 K N 1.749 122.142 120.400 -0.010 0.000 2.556 273 K HA 0.762 5.082 4.320 0.000 0.000 0.274 273 K C -1.514 175.082 176.600 -0.007 0.000 0.966 273 K CA -0.872 55.408 56.287 -0.012 0.000 0.865 273 K CB 2.689 35.181 32.500 -0.014 0.000 1.444 273 K HN 0.796 nan 8.250 nan 0.000 0.433 274 Q N 1.460 121.255 119.800 -0.008 0.000 2.295 274 Q HA 0.128 4.468 4.340 0.000 0.000 0.268 274 Q C -1.333 174.664 176.000 -0.005 0.000 1.010 274 Q CA -0.739 55.061 55.803 -0.004 0.000 0.856 274 Q CB 2.155 30.892 28.738 -0.001 0.000 1.349 274 Q HN 0.593 nan 8.270 nan 0.000 0.412 275 Q N 1.691 121.490 119.800 -0.003 0.000 2.314 275 Q HA 0.413 4.753 4.340 0.000 0.000 0.258 275 Q C 0.010 176.010 176.000 0.000 0.000 0.954 275 Q CA -0.101 55.701 55.803 -0.002 0.000 0.890 275 Q CB 1.319 30.057 28.738 -0.001 0.000 1.210 275 Q HN 0.502 nan 8.270 nan 0.000 0.410 276 V N -1.479 118.435 119.914 0.000 0.000 3.130 276 V HA 0.757 4.877 4.120 0.000 0.000 0.310 276 V C -0.510 175.587 176.094 0.004 0.000 1.158 276 V CA -0.915 61.387 62.300 0.003 0.000 1.029 276 V CB 2.302 34.126 31.823 0.003 0.000 1.057 276 V HN 0.676 nan 8.190 nan 0.000 0.436 277 T N 3.836 118.394 114.554 0.007 0.000 2.772 277 T HA 0.648 4.998 4.350 0.000 0.000 0.288 277 T C -0.293 174.412 174.700 0.008 0.000 0.994 277 T CA -0.244 61.861 62.100 0.007 0.000 0.951 277 T CB 0.828 69.701 68.868 0.008 0.000 0.933 277 T HN 0.652 nan 8.240 nan 0.000 0.447 278 L N 3.619 124.847 121.223 0.008 0.000 2.349 278 L HA 0.383 4.723 4.340 0.000 0.000 0.275 278 L C 0.680 177.556 176.870 0.011 0.000 1.115 278 L CA -0.676 54.169 54.840 0.008 0.000 0.820 278 L CB 0.589 42.653 42.059 0.007 0.000 1.135 278 L HN 0.516 nan 8.230 nan 0.000 0.445 279 Q N 3.391 123.198 119.800 0.010 0.000 2.215 279 Q HA 0.415 4.755 4.340 0.000 0.000 0.256 279 Q C -2.371 173.637 176.000 0.014 0.000 0.972 279 Q CA -2.174 53.637 55.803 0.013 0.000 0.889 279 Q CB 0.810 29.557 28.738 0.014 0.000 1.281 279 Q HN 0.338 nan 8.270 nan 0.000 0.456 280 P HA -0.038 nan 4.420 nan 0.000 0.265 280 P C 0.295 177.606 177.300 0.018 0.000 1.187 280 P CA 1.258 64.371 63.100 0.021 0.000 0.766 280 P CB 0.305 32.017 31.700 0.020 0.000 0.820 281 G N 2.824 111.637 108.800 0.021 0.000 2.527 281 G HA2 -0.193 3.767 3.960 0.000 0.000 0.227 281 G HA3 -0.193 3.767 3.960 0.000 0.000 0.227 281 G C -0.736 174.158 174.900 -0.009 0.000 1.291 281 G CA -0.730 44.378 45.100 0.013 0.000 0.904 281 G HN 0.509 nan 8.290 nan 0.000 0.577 282 I N 2.521 123.075 120.570 -0.025 0.000 2.496 282 I HA 0.252 4.422 4.170 0.000 0.000 0.285 282 I C 0.445 176.491 176.117 -0.117 0.000 1.080 282 I CA -0.118 61.128 61.300 -0.091 0.000 1.404 282 I CB 0.239 38.181 38.000 -0.098 0.000 1.403 282 I HN 0.447 nan 8.210 nan 0.000 0.539 283 N N 5.596 124.189 118.700 -0.177 0.000 2.284 283 N HA 0.373 5.113 4.740 0.000 0.000 0.300 283 N C -0.953 174.399 175.510 -0.262 0.000 1.047 283 N CA -0.661 52.308 53.050 -0.136 0.000 0.821 283 N CB 1.816 40.269 38.487 -0.056 0.000 1.337 283 N HN 0.516 nan 8.380 nan 0.000 0.482 284 H N 1.137 120.223 119.070 0.026 0.000 2.551 284 H HA 0.493 5.049 4.556 0.000 0.000 0.321 284 H C -0.429 174.915 175.328 0.027 0.000 1.028 284 H CA -0.244 55.824 56.048 0.032 0.000 1.215 284 H CB 1.165 30.946 29.762 0.033 0.000 1.414 284 H HN 0.364 nan 8.280 nan 0.000 0.480 285 I N 2.569 123.213 120.570 0.123 0.000 2.509 285 I HA 0.345 4.515 4.170 0.000 0.000 0.293 285 I C -0.358 175.810 176.117 0.085 0.000 1.020 285 I CA -0.385 60.961 61.300 0.077 0.000 1.088 285 I CB 2.225 40.244 38.000 0.033 0.000 1.267 285 I HN 0.520 nan 8.210 nan 0.000 0.430 286 T N 6.632 121.224 114.554 0.064 0.000 2.881 286 T HA 0.659 5.009 4.350 0.000 0.000 0.291 286 T C -0.782 173.942 174.700 0.040 0.000 0.990 286 T CA -0.460 61.674 62.100 0.057 0.000 0.976 286 T CB 1.083 69.978 68.868 0.044 0.000 0.970 286 T HN 0.088 nan 8.240 nan 0.000 0.438 287 L N 5.834 127.086 121.223 0.049 0.000 2.356 287 L HA 0.534 4.874 4.340 0.000 0.000 0.277 287 L C -2.227 174.671 176.870 0.047 0.000 0.996 287 L CA -2.085 52.778 54.840 0.039 0.000 0.822 287 L CB 1.444 43.524 42.059 0.035 0.000 1.256 287 L HN 0.340 nan 8.230 nan 0.000 0.413 288 P HA 0.465 nan 4.420 nan 0.000 0.274 288 P C -1.203 176.120 177.300 0.038 0.000 1.231 288 P CA -0.364 62.752 63.100 0.026 0.000 0.790 288 P CB 1.797 33.503 31.700 0.010 0.000 0.951 289 A N 1.877 124.726 122.820 0.049 0.000 2.539 289 A HA 0.613 4.933 4.320 0.000 0.000 0.296 289 A C -0.979 176.623 177.584 0.031 0.000 1.073 289 A CA -0.619 51.443 52.037 0.042 0.000 0.700 289 A CB 1.576 20.617 19.000 0.068 0.000 1.296 289 A HN 0.535 nan 8.150 nan 0.000 0.405 290 E N 0.177 120.380 120.200 0.006 0.000 2.288 290 E HA 0.597 4.947 4.350 0.000 0.000 0.268 290 E C -1.481 175.106 176.600 -0.021 0.000 0.885 290 E CA -0.957 55.441 56.400 -0.003 0.000 0.767 290 E CB 2.626 32.324 29.700 -0.003 0.000 1.220 290 E HN 0.323 nan 8.360 nan 0.000 0.427 291 V N 1.904 121.800 119.914 -0.030 0.000 2.407 291 V HA 0.242 4.362 4.120 0.000 0.000 0.291 291 V C 0.094 176.184 176.094 -0.007 0.000 1.018 291 V CA -0.833 61.441 62.300 -0.042 0.000 0.842 291 V CB 1.495 33.233 31.823 -0.142 0.000 0.996 291 V HN 0.849 nan 8.190 nan 0.000 0.426 292 T N 1.173 115.735 114.554 0.015 0.000 2.897 292 T HA 0.331 4.681 4.350 0.000 0.000 0.294 292 T C 0.412 175.140 174.700 0.048 0.000 1.004 292 T CA -0.273 61.842 62.100 0.026 0.000 1.106 292 T CB 0.060 68.942 68.868 0.023 0.000 0.949 292 T HN 0.794 nan 8.240 nan 0.000 0.520 293 N N 1.179 119.907 118.700 0.046 0.000 2.705 293 N HA -0.123 4.617 4.740 0.000 0.000 0.255 293 N C -2.545 173.023 175.510 0.095 0.000 1.008 293 N CA 0.120 53.206 53.050 0.060 0.000 0.742 293 N CB -1.034 37.485 38.487 0.054 0.000 0.906 293 N HN 0.633 nan 8.380 nan 0.000 0.541 294 P HA 0.027 nan 4.420 nan 0.000 0.268 294 P C -0.130 177.296 177.300 0.211 0.000 1.205 294 P CA 0.063 63.254 63.100 0.151 0.000 0.771 294 P CB 0.871 32.611 31.700 0.067 0.000 0.858 295 V N 5.002 125.125 119.914 0.348 0.000 2.368 295 V HA 0.208 4.328 4.120 0.000 0.000 0.266 295 V C 1.207 177.484 176.094 0.305 0.000 1.045 295 V CA -0.403 62.050 62.300 0.256 0.000 0.899 295 V CB -0.038 31.882 31.823 0.161 0.000 1.006 295 V HN 0.466 nan 8.190 nan 0.000 0.470 296 R N 3.054 123.686 120.500 0.221 0.000 2.543 296 R HA 0.146 4.486 4.340 0.000 0.000 0.277 296 R C -0.412 176.061 176.300 0.288 0.000 1.074 296 R CA -0.396 55.855 56.100 0.251 0.000 1.076 296 R CB 0.954 31.371 30.300 0.195 0.000 0.993 296 R HN 0.778 nan 8.270 nan 0.000 0.459 297 W N 5.033 126.418 121.300 0.140 0.000 2.304 297 W HA 0.115 4.774 4.660 -0.000 0.000 0.313 297 W C -0.856 175.737 176.519 0.124 0.000 1.323 297 W CA -0.381 57.035 57.345 0.119 0.000 1.223 297 W CB 0.634 30.160 29.460 0.109 0.000 1.237 297 W HN 0.286 nan 8.180 nan 0.000 0.535 298 M N 9.199 128.638 119.600 -0.268 0.000 2.537 298 M HA 0.400 4.880 4.480 0.000 0.000 0.324 298 M C -2.113 173.739 176.300 -0.747 0.000 1.187 298 M CA -2.939 52.224 55.300 -0.229 0.000 0.993 298 M CB 0.856 33.428 32.600 -0.047 0.000 1.666 298 M HN 0.279 nan 8.290 nan 0.000 0.461 299 P HA 0.121 nan 4.420 nan 0.000 0.276 299 P C -0.536 176.570 177.300 -0.323 0.000 1.244 299 P CA -0.483 62.335 63.100 -0.470 0.000 0.801 299 P CB 0.354 31.876 31.700 -0.297 0.000 1.006 300 N N 0.645 119.173 118.700 -0.287 0.000 2.365 300 N HA 0.123 4.863 4.740 0.000 0.000 0.265 300 N C 1.391 176.806 175.510 -0.159 0.000 1.288 300 N CA 2.138 55.080 53.050 -0.181 0.000 0.869 300 N CB -0.654 37.755 38.487 -0.130 0.000 1.071 300 N HN 0.760 nan 8.380 nan 0.000 0.480 301 G N 2.638 111.405 108.800 -0.055 0.000 2.259 301 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 301 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 301 G C 0.372 175.416 174.900 0.239 0.000 1.001 301 G CA 0.124 45.244 45.100 0.033 0.000 0.627 301 G HN 0.559 nan 8.290 nan 0.000 0.501 302 W N 1.755 123.015 121.300 -0.066 0.000 3.127 302 W HA 0.592 5.252 4.660 -0.000 0.000 0.344 302 W C 1.262 177.740 176.519 -0.068 0.000 1.151 302 W CA 0.490 57.804 57.345 -0.052 0.000 1.765 302 W CB 0.326 29.760 29.460 -0.043 0.000 1.085 302 W HN 1.125 nan 8.180 nan 0.000 0.596 303 G N -0.433 108.429 108.800 0.103 0.000 2.291 303 G HA2 -0.001 3.959 3.960 0.000 0.000 0.249 303 G HA3 -0.001 3.959 3.960 0.000 0.000 0.249 303 G C -0.832 174.035 174.900 -0.055 0.000 1.340 303 G CA -0.907 44.206 45.100 0.021 0.000 1.017 303 G HN -0.268 nan 8.290 nan 0.000 0.470 304 T N 3.397 117.914 114.554 -0.061 0.000 2.869 304 T HA 0.548 4.898 4.350 0.000 0.000 0.295 304 T C -2.168 172.411 174.700 -0.202 0.000 0.987 304 T CA -0.525 61.518 62.100 -0.094 0.000 1.109 304 T CB 1.814 70.656 68.868 -0.043 0.000 0.932 304 T HN 0.420 nan 8.240 nan 0.000 0.518 305 P HA 0.151 nan 4.420 nan 0.000 0.225 305 P C -0.354 176.917 177.300 -0.048 0.000 1.813 305 P CA -0.449 62.324 63.100 -0.545 0.000 1.013 305 P CB -0.843 30.586 31.700 -0.451 0.000 1.961 306 T N 2.945 117.534 114.554 0.058 0.000 2.867 306 T HA 0.170 4.520 4.350 0.000 0.000 0.297 306 T C 0.458 175.351 174.700 0.322 0.000 0.989 306 T CA 0.515 62.704 62.100 0.147 0.000 1.159 306 T CB 0.141 69.083 68.868 0.122 0.000 0.928 306 T HN 0.188 nan 8.240 nan 0.000 0.538 307 L N 3.939 125.285 121.223 0.204 0.000 2.372 307 L HA 0.430 4.770 4.340 0.000 0.000 0.274 307 L C -0.527 176.440 176.870 0.160 0.000 0.988 307 L CA -1.056 53.933 54.840 0.248 0.000 0.833 307 L CB 1.054 43.242 42.059 0.214 0.000 1.236 307 L HN 0.648 nan 8.230 nan 0.000 0.410 308 Y N 1.320 121.746 120.300 0.210 0.000 2.326 308 Y HA 0.102 4.651 4.550 -0.000 0.000 0.333 308 Y C 0.552 176.612 175.900 0.267 0.000 1.240 308 Y CA -0.175 58.067 58.100 0.237 0.000 1.365 308 Y CB 0.763 39.448 38.460 0.375 0.000 1.289 308 Y HN 0.452 nan 8.280 nan 0.000 0.548 309 D N 2.734 123.336 120.400 0.337 0.000 2.329 309 D HA 0.179 4.819 4.640 0.000 0.000 0.232 309 D C -1.242 175.235 176.300 0.296 0.000 1.088 309 D CA -0.077 54.092 54.000 0.282 0.000 0.835 309 D CB 0.856 41.742 40.800 0.143 0.000 1.078 309 D HN 0.214 nan 8.370 nan 0.000 0.495 310 F N 1.161 121.202 119.950 0.151 0.000 2.388 310 F HA 0.200 4.728 4.527 0.001 0.000 0.358 310 F C 0.768 176.708 175.800 0.235 0.000 1.122 310 F CA -0.632 57.479 58.000 0.186 0.000 1.056 310 F CB 1.821 40.927 39.000 0.176 0.000 1.155 310 F HN 0.029 nan 8.300 nan 0.000 0.461 311 S N 3.059 118.914 115.700 0.258 0.000 2.519 311 S HA 0.858 5.328 4.470 0.000 0.000 0.309 311 S C -0.760 173.851 174.600 0.019 0.000 1.100 311 S CA -0.491 57.799 58.200 0.149 0.000 1.059 311 S CB 0.776 64.010 63.200 0.056 0.000 1.008 311 S HN 0.748 nan 8.310 nan 0.000 0.478 312 A N 4.648 127.368 122.820 -0.167 0.000 2.288 312 A HA 0.721 5.041 4.320 0.000 0.000 0.320 312 A C -0.464 176.986 177.584 -0.224 0.000 1.217 312 A CA -0.614 51.198 52.037 -0.375 0.000 0.840 312 A CB 0.801 19.219 19.000 -0.971 0.000 1.179 312 A HN 0.840 nan 8.150 nan 0.000 0.504 313 Q N 1.400 121.109 119.800 -0.151 0.000 2.377 313 Q HA 0.531 4.871 4.340 0.000 0.000 0.271 313 Q C -1.139 174.811 176.000 -0.085 0.000 1.077 313 Q CA -0.840 54.904 55.803 -0.099 0.000 0.820 313 Q CB 2.515 31.217 28.738 -0.061 0.000 1.347 313 Q HN 0.628 nan 8.270 nan 0.000 0.444 314 I N 1.854 122.386 120.570 -0.063 0.000 2.328 314 I HA 0.462 4.632 4.170 0.000 0.000 0.287 314 I C -0.357 175.746 176.117 -0.022 0.000 1.012 314 I CA -0.451 60.824 61.300 -0.042 0.000 1.195 314 I CB 0.640 38.618 38.000 -0.036 0.000 1.350 314 I HN 0.580 nan 8.210 nan 0.000 0.464 315 A N 6.147 128.956 122.820 -0.019 0.000 2.276 315 A HA 0.602 4.922 4.320 0.000 0.000 0.316 315 A C -0.541 177.041 177.584 -0.003 0.000 1.229 315 A CA -0.309 51.723 52.037 -0.009 0.000 0.851 315 A CB 0.713 19.706 19.000 -0.012 0.000 1.165 315 A HN 0.761 nan 8.150 nan 0.000 0.513 316 C N 3.102 122.404 119.300 0.003 0.000 2.321 316 C HA 0.723 5.183 4.460 0.000 0.000 0.323 316 C C 1.322 176.316 174.990 0.006 0.000 1.191 316 C CA 0.355 59.377 59.018 0.007 0.000 1.455 316 C CB -0.284 27.465 27.740 0.014 0.000 2.083 316 C HN 1.755 nan 8.230 nan 0.000 0.442 317 G N 4.051 112.853 108.800 0.003 0.000 2.622 317 G HA2 -0.297 3.663 3.960 0.000 0.000 0.307 317 G HA3 -0.297 3.663 3.960 0.000 0.000 0.307 317 G C 0.777 175.678 174.900 0.001 0.000 1.226 317 G CA 0.965 46.067 45.100 0.002 0.000 0.997 317 G HN 0.536 nan 8.290 nan 0.000 0.551 318 D N 1.433 121.834 120.400 0.002 0.000 2.269 318 D HA 0.039 4.679 4.640 0.000 0.000 0.208 318 D C 1.642 177.943 176.300 0.003 0.000 0.963 318 D CA 0.604 54.605 54.000 0.001 0.000 0.864 318 D CB -0.006 40.795 40.800 0.002 0.000 0.936 318 D HN 0.402 nan 8.370 nan 0.000 0.505 319 R N 0.786 121.289 120.500 0.005 0.000 2.265 319 R HA 0.238 4.578 4.340 0.000 0.000 0.314 319 R C -0.063 176.242 176.300 0.008 0.000 1.053 319 R CA -0.515 55.591 56.100 0.009 0.000 0.931 319 R CB 1.428 31.736 30.300 0.015 0.000 1.024 319 R HN -0.068 nan 8.270 nan 0.000 0.457 320 I N 5.711 126.286 120.570 0.007 0.000 2.260 320 I HA -0.038 4.132 4.170 0.000 0.000 0.297 320 I C 1.680 177.806 176.117 0.014 0.000 1.143 320 I CA 0.219 61.520 61.300 0.002 0.000 1.271 320 I CB 0.430 38.428 38.000 -0.004 0.000 1.461 320 I HN 0.575 nan 8.210 nan 0.000 0.530 321 V N 3.383 123.310 119.914 0.020 0.000 2.719 321 V HA 0.316 4.436 4.120 0.000 0.000 0.252 321 V C 0.895 177.013 176.094 0.039 0.000 1.065 321 V CA 0.788 63.116 62.300 0.047 0.000 1.086 321 V CB -0.292 31.569 31.823 0.063 0.000 0.700 321 V HN 0.662 nan 8.190 nan 0.000 0.467 322 A N -0.176 122.645 122.820 0.001 0.000 2.488 322 A HA 0.779 5.099 4.320 0.000 0.000 0.298 322 A C -0.879 176.674 177.584 -0.051 0.000 1.044 322 A CA -0.469 51.549 52.037 -0.032 0.000 0.693 322 A CB 1.981 20.947 19.000 -0.056 0.000 1.272 322 A HN 0.303 nan 8.150 nan 0.000 0.402 323 E N 1.030 121.195 120.200 -0.057 0.000 2.356 323 E HA 0.587 4.937 4.350 0.000 0.000 0.275 323 E C -1.810 174.745 176.600 -0.074 0.000 0.904 323 E CA -0.351 56.007 56.400 -0.070 0.000 0.757 323 E CB 2.288 31.962 29.700 -0.045 0.000 1.232 323 E HN 0.669 nan 8.360 nan 0.000 0.442 324 Q N 1.092 120.836 119.800 -0.093 0.000 2.315 324 Q HA 0.540 4.880 4.340 0.000 0.000 0.273 324 Q C -1.847 174.136 176.000 -0.028 0.000 1.053 324 Q CA -0.398 55.359 55.803 -0.075 0.000 0.817 324 Q CB 2.123 30.835 28.738 -0.044 0.000 1.326 324 Q HN 0.351 nan 8.270 nan 0.000 0.423 325 S N 2.364 118.006 115.700 -0.098 0.000 2.568 325 S HA 0.729 5.199 4.470 0.000 0.000 0.293 325 S C -1.489 172.940 174.600 -0.284 0.000 1.089 325 S CA -0.656 57.529 58.200 -0.026 0.000 0.945 325 S CB 0.877 64.086 63.200 0.016 0.000 1.077 325 S HN 0.580 nan 8.310 nan 0.000 0.485 326 H N 1.022 120.173 119.070 0.135 0.000 2.895 326 H HA 0.408 4.964 4.556 0.000 0.000 0.373 326 H C -0.584 174.770 175.328 0.043 0.000 1.174 326 H CA -0.717 55.323 56.048 -0.013 0.000 1.144 326 H CB 1.353 30.997 29.762 -0.197 0.000 1.793 326 H HN 0.413 nan 8.280 nan 0.000 0.551 327 R N 1.681 122.266 120.500 0.142 0.000 2.308 327 R HA 0.373 4.713 4.340 0.000 0.000 0.305 327 R C -0.296 176.032 176.300 0.048 0.000 1.053 327 R CA -0.556 55.625 56.100 0.134 0.000 0.957 327 R CB 0.826 31.195 30.300 0.115 0.000 1.022 327 R HN 0.303 nan 8.270 nan 0.000 0.461 328 I N 1.778 122.412 120.570 0.106 0.000 2.465 328 I HA 0.284 4.454 4.170 0.000 0.000 0.291 328 I C 0.566 176.729 176.117 0.078 0.000 1.014 328 I CA -0.589 60.668 61.300 -0.071 0.000 1.093 328 I CB 1.718 39.464 38.000 -0.423 0.000 1.267 328 I HN 0.673 nan 8.210 nan 0.000 0.431 329 G N 6.724 115.477 108.800 -0.079 0.000 2.335 329 G HA2 0.595 4.555 3.960 0.000 0.000 0.316 329 G HA3 0.595 4.555 3.960 0.000 0.000 0.316 329 G C -0.493 174.412 174.900 0.008 0.000 1.129 329 G CA -0.500 44.609 45.100 0.015 0.000 0.899 329 G HN 0.490 nan 8.290 nan 0.000 0.448 330 L N 4.419 125.748 121.223 0.175 0.000 2.295 330 L HA 0.543 4.883 4.340 0.000 0.000 0.288 330 L C 0.432 177.402 176.870 0.165 0.000 1.079 330 L CA -0.711 54.186 54.840 0.096 0.000 0.830 330 L CB 0.063 42.168 42.059 0.077 0.000 1.200 330 L HN 0.605 nan 8.230 nan 0.000 0.438 331 R N 1.716 122.276 120.500 0.101 0.000 2.716 331 R HA 0.522 4.862 4.340 0.000 0.000 0.271 331 R C -1.108 175.245 176.300 0.089 0.000 1.028 331 R CA -0.729 55.469 56.100 0.164 0.000 0.883 331 R CB 1.151 31.642 30.300 0.319 0.000 1.250 331 R HN 0.356 nan 8.270 nan 0.000 0.465 332 T N -0.737 113.886 114.554 0.115 0.000 2.859 332 T HA 0.739 5.089 4.350 0.000 0.000 0.281 332 T C 0.305 175.071 174.700 0.111 0.000 1.005 332 T CA -0.772 61.377 62.100 0.081 0.000 1.025 332 T CB 0.957 69.865 68.868 0.067 0.000 0.977 332 T HN 0.481 nan 8.240 nan 0.000 0.458 333 I N 2.349 122.963 120.570 0.073 0.000 2.447 333 I HA 0.499 4.669 4.170 0.000 0.000 0.287 333 I C -0.035 176.095 176.117 0.021 0.000 1.023 333 I CA -0.871 60.482 61.300 0.088 0.000 1.083 333 I CB 2.037 40.095 38.000 0.097 0.000 1.245 333 I HN 0.589 nan 8.210 nan 0.000 0.434 334 R N 5.745 126.231 120.500 -0.024 0.000 2.513 334 R HA 0.624 4.964 4.340 0.000 0.000 0.301 334 R C -1.683 174.396 176.300 -0.368 0.000 0.968 334 R CA -0.543 55.468 56.100 -0.147 0.000 0.872 334 R CB 2.057 32.289 30.300 -0.113 0.000 1.177 334 R HN 0.419 nan 8.270 nan 0.000 0.444 335 V N 5.467 125.017 119.914 -0.607 0.000 2.406 335 V HA 0.219 4.339 4.120 0.000 0.000 0.272 335 V C -0.124 175.323 176.094 -1.078 0.000 1.043 335 V CA -0.535 61.051 62.300 -1.189 0.000 0.915 335 V CB 1.483 32.178 31.823 -1.880 0.000 0.988 335 V HN 0.488 nan 8.190 nan 0.000 0.466 336 V N 5.025 124.256 119.914 -1.139 0.000 2.333 336 V HA 0.392 4.512 4.120 0.000 0.000 0.274 336 V C 0.069 175.678 176.094 -0.809 0.000 1.028 336 V CA -0.407 61.337 62.300 -0.927 0.000 0.851 336 V CB 1.232 32.318 31.823 -1.228 0.000 1.000 336 V HN 0.925 nan 8.190 nan 0.000 0.456 337 N N 4.365 122.766 118.700 -0.498 0.000 2.648 337 N HA 0.375 5.115 4.740 0.000 0.000 0.261 337 N C -0.909 174.567 175.510 -0.057 0.000 1.138 337 N CA -0.302 52.608 53.050 -0.233 0.000 0.804 337 N CB 1.137 39.496 38.487 -0.212 0.000 1.237 337 N HN 0.773 nan 8.380 nan 0.000 0.532 338 E N 0.905 121.104 120.200 -0.001 0.000 2.340 338 E HA 0.317 4.667 4.350 0.000 0.000 0.273 338 E C -0.870 175.778 176.600 0.080 0.000 0.891 338 E CA -0.906 55.513 56.400 0.031 0.000 0.757 338 E CB 2.004 31.710 29.700 0.009 0.000 1.231 338 E HN 0.241 nan 8.360 nan 0.000 0.439 339 K N 2.213 122.660 120.400 0.078 0.000 2.451 339 K HA 0.039 4.359 4.320 0.000 0.000 0.280 339 K C -0.461 176.189 176.600 0.083 0.000 1.020 339 K CA 0.651 56.989 56.287 0.086 0.000 1.008 339 K CB 0.174 32.719 32.500 0.074 0.000 0.917 339 K HN 0.441 nan 8.250 nan 0.000 0.478 340 D N 0.569 121.024 120.400 0.091 0.000 2.798 340 D HA 0.044 4.684 4.640 0.000 0.000 0.308 340 D C 0.277 176.631 176.300 0.090 0.000 1.187 340 D CA -0.894 53.159 54.000 0.089 0.000 1.033 340 D CB 0.244 41.103 40.800 0.098 0.000 1.445 340 D HN 0.337 nan 8.370 nan 0.000 0.550 341 K N -0.958 119.497 120.400 0.092 0.000 2.360 341 K HA -0.066 4.254 4.320 0.000 0.000 0.201 341 K C 0.045 176.717 176.600 0.119 0.000 1.046 341 K CA 1.243 57.588 56.287 0.096 0.000 0.945 341 K CB -0.157 32.399 32.500 0.093 0.000 0.750 341 K HN 0.224 nan 8.250 nan 0.000 0.464 342 D N -0.066 120.414 120.400 0.133 0.000 2.379 342 D HA 0.132 4.772 4.640 0.000 0.000 0.208 342 D C 0.970 177.358 176.300 0.147 0.000 1.065 342 D CA 0.866 54.974 54.000 0.181 0.000 0.848 342 D CB 1.341 42.273 40.800 0.220 0.000 0.949 342 D HN 0.501 nan 8.370 nan 0.000 0.509 343 G N 1.085 109.953 108.800 0.113 0.000 1.781 343 G HA2 -0.120 3.840 3.960 0.000 0.000 0.082 343 G HA3 -0.120 3.840 3.960 0.000 0.000 0.082 343 G C -1.034 173.935 174.900 0.115 0.000 0.919 343 G CA -0.709 44.456 45.100 0.110 0.000 1.202 343 G HN 0.141 nan 8.290 nan 0.000 0.393 344 E N 1.188 121.464 120.200 0.128 0.000 2.265 344 E HA 0.520 4.870 4.350 0.000 0.000 0.262 344 E C -0.108 176.600 176.600 0.180 0.000 0.889 344 E CA -0.111 56.391 56.400 0.171 0.000 0.789 344 E CB 2.022 31.880 29.700 0.263 0.000 1.221 344 E HN 0.721 nan 8.360 nan 0.000 0.414 345 S N 2.128 117.928 115.700 0.167 0.000 2.589 345 S HA 0.365 4.835 4.470 0.000 0.000 0.265 345 S C -0.224 174.537 174.600 0.270 0.000 1.342 345 S CA -0.351 57.976 58.200 0.211 0.000 1.005 345 S CB 0.603 63.967 63.200 0.274 0.000 0.909 345 S HN 0.513 nan 8.310 nan 0.000 0.555 346 F N 2.640 122.655 119.950 0.108 0.000 3.287 346 F HA 0.469 4.996 4.527 0.000 0.000 0.379 346 F C -1.321 174.500 175.800 0.035 0.000 1.268 346 F CA -0.688 57.279 58.000 -0.056 0.000 1.220 346 F CB 0.691 39.700 39.000 0.015 0.000 1.687 346 F HN 0.819 nan 8.300 nan 0.000 0.648 347 Y N 2.052 122.097 120.300 -0.425 0.000 2.655 347 Y HA 0.775 5.325 4.550 -0.000 0.000 0.336 347 Y C -2.076 173.516 175.900 -0.514 0.000 1.154 347 Y CA -2.314 55.663 58.100 -0.204 0.000 1.055 347 Y CB 1.111 39.598 38.460 0.045 0.000 1.295 347 Y HN 0.196 nan 8.280 nan 0.000 0.465 348 F N 1.462 121.432 119.950 0.034 0.000 2.436 348 F HA 0.415 4.942 4.527 -0.000 0.000 0.340 348 F C 0.108 175.996 175.800 0.146 0.000 1.113 348 F CA -0.588 57.376 58.000 -0.060 0.000 1.022 348 F CB 1.775 40.765 39.000 -0.017 0.000 1.128 348 F HN 0.592 nan 8.300 nan 0.000 0.466 349 E N 3.508 123.821 120.200 0.189 0.000 2.145 349 E HA 0.539 4.889 4.350 0.000 0.000 0.270 349 E C -1.830 174.917 176.600 0.244 0.000 0.906 349 E CA -0.539 56.017 56.400 0.260 0.000 0.761 349 E CB 1.709 31.510 29.700 0.168 0.000 1.116 349 E HN 0.461 nan 8.360 nan 0.000 0.408 350 V N 5.247 125.366 119.914 0.342 0.000 2.409 350 V HA 0.208 4.328 4.120 0.000 0.000 0.291 350 V C 0.099 176.405 176.094 0.354 0.000 1.020 350 V CA -0.973 61.538 62.300 0.352 0.000 0.848 350 V CB 1.378 33.433 31.823 0.386 0.000 0.990 350 V HN 0.859 nan 8.190 nan 0.000 0.430 351 N N 4.041 122.894 118.700 0.255 0.000 2.716 351 N HA -0.232 4.508 4.740 0.000 0.000 0.250 351 N C 1.234 176.828 175.510 0.140 0.000 1.033 351 N CA 1.459 54.621 53.050 0.187 0.000 0.727 351 N CB -0.895 37.710 38.487 0.196 0.000 0.950 351 N HN 1.548 nan 8.380 nan 0.000 0.541 352 G N -1.282 107.602 108.800 0.140 0.000 2.179 352 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 352 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 352 G C 0.087 175.065 174.900 0.130 0.000 0.977 352 G CA 0.491 45.657 45.100 0.111 0.000 0.641 352 G HN 0.526 nan 8.290 nan 0.000 0.533 353 I N 1.553 122.234 120.570 0.185 0.000 2.362 353 I HA 0.330 4.500 4.170 0.000 0.000 0.289 353 I C -2.306 174.041 176.117 0.383 0.000 0.994 353 I CA -2.612 58.805 61.300 0.195 0.000 1.158 353 I CB 2.083 40.073 38.000 -0.016 0.000 1.315 353 I HN -0.202 nan 8.210 nan 0.000 0.451 354 P HA 0.059 nan 4.420 nan 0.000 0.263 354 P C -0.681 176.897 177.300 0.463 0.000 1.195 354 P CA 0.129 63.450 63.100 0.368 0.000 0.762 354 P CB 0.436 32.214 31.700 0.131 0.000 0.799 355 M N 5.547 125.402 119.600 0.424 0.000 2.078 355 M HA 0.361 4.841 4.480 0.000 0.000 0.320 355 M C -1.052 175.369 176.300 0.202 0.000 0.969 355 M CA -1.163 54.275 55.300 0.230 0.000 0.929 355 M CB 0.546 33.074 32.600 -0.119 0.000 1.504 355 M HN 0.130 nan 8.290 nan 0.000 0.419 356 F N 4.338 124.328 119.950 0.066 0.000 2.541 356 F HA 0.407 4.934 4.527 -0.000 0.000 0.378 356 F C 0.177 175.927 175.800 -0.084 0.000 1.068 356 F CA -0.087 57.933 58.000 0.032 0.000 1.199 356 F CB 0.555 39.559 39.000 0.007 0.000 1.091 356 F HN 0.670 nan 8.300 nan 0.000 0.555 357 A N 7.067 129.676 122.820 -0.350 0.000 2.366 357 A HA 0.457 4.777 4.320 0.000 0.000 0.272 357 A C -0.539 176.832 177.584 -0.355 0.000 1.135 357 A CA -0.547 51.323 52.037 -0.280 0.000 0.804 357 A CB 0.281 19.241 19.000 -0.066 0.000 1.064 357 A HN 0.820 nan 8.150 nan 0.000 0.499 358 K N 1.939 122.090 120.400 -0.416 0.000 2.579 358 K HA 0.607 4.927 4.320 0.000 0.000 0.250 358 K C 0.093 176.270 176.600 -0.706 0.000 0.952 358 K CA -0.048 55.704 56.287 -0.891 0.000 0.857 358 K CB 2.137 33.805 32.500 -1.387 0.000 1.123 358 K HN 1.062 nan 8.250 nan 0.000 0.433 359 G N 1.074 109.646 108.800 -0.381 0.000 2.435 359 G HA2 0.696 4.656 3.960 0.000 0.000 0.228 359 G HA3 0.696 4.656 3.960 0.000 0.000 0.228 359 G C -1.811 172.915 174.900 -0.290 0.000 1.198 359 G CA -0.135 44.846 45.100 -0.198 0.000 0.948 359 G HN 0.635 nan 8.290 nan 0.000 0.487 360 A N -0.876 121.674 122.820 -0.451 0.000 2.610 360 A HA 0.745 5.065 4.320 0.000 0.000 0.291 360 A C -1.195 176.084 177.584 -0.508 0.000 1.086 360 A CA -0.714 50.857 52.037 -0.776 0.000 0.677 360 A CB 1.094 19.351 19.000 -1.240 0.000 1.278 360 A HN 0.571 nan 8.150 nan 0.000 0.414 361 N N 0.818 119.170 118.700 -0.579 0.000 2.458 361 N HA 0.297 5.037 4.740 0.000 0.000 0.270 361 N C -1.487 173.632 175.510 -0.651 0.000 1.102 361 N CA 0.320 53.044 53.050 -0.544 0.000 0.967 361 N CB 1.234 39.332 38.487 -0.648 0.000 1.078 361 N HN 0.634 nan 8.380 nan 0.000 0.471 362 Y N 3.708 123.701 120.300 -0.512 0.000 2.330 362 Y HA 0.458 5.008 4.550 0.000 0.000 0.336 362 Y C -0.034 175.611 175.900 -0.425 0.000 1.036 362 Y CA -0.859 56.968 58.100 -0.454 0.000 1.125 362 Y CB 0.589 38.898 38.460 -0.252 0.000 1.194 362 Y HN 0.446 nan 8.280 nan 0.000 0.469 363 I N 3.883 123.744 120.570 -1.181 0.000 3.023 363 I HA 0.762 4.932 4.170 0.000 0.000 0.312 363 I C -2.805 172.573 176.117 -1.231 0.000 1.056 363 I CA -3.233 57.471 61.300 -0.993 0.000 1.033 363 I CB 1.865 39.116 38.000 -1.248 0.000 1.233 363 I HN 0.374 nan 8.210 nan 0.000 0.462 364 P HA 0.108 nan 4.420 nan 0.000 0.269 364 P C -0.573 176.445 177.300 -0.470 0.000 1.209 364 P CA 0.049 62.782 63.100 -0.612 0.000 0.776 364 P CB 0.464 31.738 31.700 -0.711 0.000 0.876 365 Q N 0.270 119.913 119.800 -0.262 0.000 2.451 365 Q HA 0.050 4.390 4.340 0.000 0.000 0.206 365 Q C 0.076 176.105 176.000 0.050 0.000 0.947 365 Q CA 0.834 56.536 55.803 -0.169 0.000 0.937 365 Q CB 0.294 28.926 28.738 -0.177 0.000 1.025 365 Q HN 0.493 nan 8.270 nan 0.000 0.511 366 D N -2.345 118.132 120.400 0.129 0.000 2.717 366 D HA 0.208 4.848 4.640 0.000 0.000 0.223 366 D C -0.392 176.113 176.300 0.341 0.000 1.240 366 D CA -0.046 54.140 54.000 0.310 0.000 0.801 366 D CB 1.525 42.519 40.800 0.323 0.000 1.556 366 D HN -0.056 nan 8.370 nan 0.000 0.462 367 A N 2.525 125.548 122.820 0.339 0.000 2.024 367 A HA -0.005 4.315 4.320 0.000 0.000 0.220 367 A C 0.992 178.633 177.584 0.095 0.000 1.164 367 A CA 1.042 53.203 52.037 0.206 0.000 0.643 367 A CB -0.137 18.952 19.000 0.147 0.000 0.806 367 A HN 0.471 nan 8.150 nan 0.000 0.451 368 L N 0.199 121.513 121.223 0.151 0.000 2.366 368 L HA 0.309 4.649 4.340 0.000 0.000 0.266 368 L C 0.614 177.576 176.870 0.154 0.000 1.010 368 L CA -0.501 54.382 54.840 0.072 0.000 0.879 368 L CB 1.365 43.433 42.059 0.014 0.000 1.228 368 L HN 0.194 nan 8.230 nan 0.000 0.439 369 L N 3.053 124.386 121.223 0.184 0.000 2.042 369 L HA -0.132 4.208 4.340 0.000 0.000 0.210 369 L C -0.451 176.597 176.870 0.296 0.000 1.076 369 L CA 1.539 56.550 54.840 0.284 0.000 0.749 369 L CB -1.044 41.245 42.059 0.384 0.000 0.893 369 L HN 0.525 nan 8.230 nan 0.000 0.432 370 P HA -0.045 nan 4.420 nan 0.000 0.233 370 P C 0.754 178.144 177.300 0.151 0.000 1.167 370 P CA 0.800 64.016 63.100 0.193 0.000 0.770 370 P CB -0.058 31.716 31.700 0.123 0.000 0.837 371 N N -0.725 118.062 118.700 0.144 0.000 2.453 371 N HA -0.044 4.696 4.740 0.000 0.000 0.183 371 N C 0.146 175.744 175.510 0.147 0.000 1.041 371 N CA 0.499 53.629 53.050 0.133 0.000 0.900 371 N CB -0.571 37.999 38.487 0.139 0.000 0.961 371 N HN 0.035 nan 8.380 nan 0.000 0.443 372 V N 2.382 122.401 119.914 0.176 0.000 2.415 372 V HA 0.066 4.186 4.120 0.000 0.000 0.267 372 V C 0.863 177.096 176.094 0.232 0.000 1.042 372 V CA -0.358 62.030 62.300 0.146 0.000 1.000 372 V CB 0.130 32.000 31.823 0.078 0.000 1.015 372 V HN 0.249 nan 8.190 nan 0.000 0.478 373 T N 1.304 115.965 114.554 0.178 0.000 2.874 373 T HA 0.152 4.502 4.350 0.000 0.000 0.281 373 T C 1.396 176.273 174.700 0.294 0.000 0.994 373 T CA -0.016 62.204 62.100 0.200 0.000 1.015 373 T CB 1.139 70.085 68.868 0.128 0.000 1.028 373 T HN 0.557 nan 8.240 nan 0.000 0.523 374 T N 1.228 115.917 114.554 0.224 0.000 2.665 374 T HA -0.140 4.210 4.350 0.000 0.000 0.268 374 T C 1.776 176.597 174.700 0.201 0.000 1.035 374 T CA 2.049 64.271 62.100 0.204 0.000 1.151 374 T CB -0.505 68.424 68.868 0.101 0.000 0.862 374 T HN 0.751 nan 8.240 nan 0.000 0.438 375 E N 0.771 121.057 120.200 0.143 0.000 2.085 375 E HA -0.062 4.288 4.350 0.000 0.000 0.194 375 E C 2.398 179.066 176.600 0.113 0.000 0.994 375 E CA 0.996 57.462 56.400 0.109 0.000 0.801 375 E CB -0.189 29.559 29.700 0.080 0.000 0.743 375 E HN 0.403 nan 8.360 nan 0.000 0.453 376 R N -0.795 119.771 120.500 0.109 0.000 2.075 376 R HA -0.107 4.233 4.340 0.000 0.000 0.232 376 R C 2.132 178.460 176.300 0.046 0.000 1.126 376 R CA 1.274 57.396 56.100 0.038 0.000 0.963 376 R CB -0.380 29.901 30.300 -0.031 0.000 0.858 376 R HN 0.260 nan 8.270 nan 0.000 0.435 377 Y N 1.162 121.528 120.300 0.110 0.000 2.128 377 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 377 Y C 2.565 178.566 175.900 0.168 0.000 1.154 377 Y CA 1.642 59.838 58.100 0.160 0.000 1.149 377 Y CB -0.244 38.311 38.460 0.158 0.000 0.976 377 Y HN 0.117 nan 8.280 nan 0.000 0.505 378 Q N -0.860 119.097 119.800 0.262 0.000 2.096 378 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 378 Q C 2.166 178.258 176.000 0.154 0.000 0.982 378 Q CA 2.216 58.123 55.803 0.173 0.000 0.850 378 Q CB -0.436 28.367 28.738 0.108 0.000 0.901 378 Q HN 0.418 nan 8.270 nan 0.000 0.422 379 T N 1.167 115.790 114.554 0.114 0.000 2.777 379 T HA -0.119 4.231 4.350 0.000 0.000 0.266 379 T C 1.675 176.408 174.700 0.055 0.000 1.040 379 T CA 0.787 62.936 62.100 0.082 0.000 1.141 379 T CB -0.211 68.691 68.868 0.056 0.000 0.868 379 T HN 0.085 nan 8.240 nan 0.000 0.444 380 L N 0.450 121.681 121.223 0.012 0.000 2.046 380 L HA 0.072 4.412 4.340 0.000 0.000 0.208 380 L C 1.881 178.627 176.870 -0.208 0.000 1.077 380 L CA 1.590 56.361 54.840 -0.114 0.000 0.747 380 L CB -0.942 41.025 42.059 -0.152 0.000 0.896 380 L HN 0.204 nan 8.230 nan 0.000 0.432 381 F N -0.422 119.468 119.950 -0.100 0.000 2.186 381 F HA -0.149 4.378 4.527 0.000 0.000 0.299 381 F C 2.732 178.504 175.800 -0.047 0.000 1.090 381 F CA 1.568 59.492 58.000 -0.127 0.000 1.307 381 F CB -0.387 38.507 39.000 -0.175 0.000 1.019 381 F HN 0.064 nan 8.300 nan 0.000 0.489 382 R N 0.683 121.272 120.500 0.148 0.000 2.083 382 R HA -0.189 4.151 4.340 0.000 0.000 0.237 382 R C 1.796 178.191 176.300 0.158 0.000 1.137 382 R CA 2.154 58.335 56.100 0.135 0.000 0.951 382 R CB -0.461 29.917 30.300 0.129 0.000 0.851 382 R HN 0.152 nan 8.270 nan 0.000 0.434 383 D N 0.322 120.797 120.400 0.124 0.000 2.133 383 D HA -0.220 4.420 4.640 0.000 0.000 0.195 383 D C 1.978 178.317 176.300 0.065 0.000 0.997 383 D CA 1.737 55.795 54.000 0.097 0.000 0.840 383 D CB -0.197 40.493 40.800 -0.184 0.000 0.947 383 D HN 0.387 nan 8.370 nan 0.000 0.452 384 M N 0.151 119.719 119.600 -0.053 0.000 2.099 384 M HA -0.106 4.374 4.480 0.000 0.000 0.262 384 M C 2.263 178.565 176.300 0.002 0.000 1.067 384 M CA 1.044 56.304 55.300 -0.067 0.000 1.124 384 M CB -0.169 32.293 32.600 -0.230 0.000 1.353 384 M HN -0.110 nan 8.290 nan 0.000 0.410 385 K N 0.874 121.297 120.400 0.038 0.000 2.032 385 K HA -0.187 4.133 4.320 0.000 0.000 0.209 385 K C 1.657 178.312 176.600 0.092 0.000 1.048 385 K CA 1.614 57.937 56.287 0.060 0.000 0.927 385 K CB 0.005 32.551 32.500 0.077 0.000 0.712 385 K HN 0.366 nan 8.250 nan 0.000 0.441 386 E N -0.497 119.797 120.200 0.156 0.000 2.204 386 E HA -0.118 4.232 4.350 0.000 0.000 0.194 386 E C 1.324 178.050 176.600 0.210 0.000 0.989 386 E CA 0.730 57.264 56.400 0.223 0.000 0.824 386 E CB 0.062 29.982 29.700 0.366 0.000 0.756 386 E HN 0.349 nan 8.360 nan 0.000 0.477 387 A N 0.822 123.712 122.820 0.116 0.000 2.276 387 A HA 0.017 4.337 4.320 0.000 0.000 0.212 387 A C 0.153 177.799 177.584 0.104 0.000 1.230 387 A CA 0.256 52.287 52.037 -0.011 0.000 0.844 387 A CB -0.549 18.231 19.000 -0.367 0.000 0.860 387 A HN 0.390 nan 8.150 nan 0.000 0.486 388 N N -2.124 116.635 118.700 0.098 0.000 2.782 388 N HA -0.157 4.583 4.740 0.000 0.000 0.251 388 N C -0.175 175.333 175.510 -0.003 0.000 1.101 388 N CA 0.830 53.926 53.050 0.078 0.000 0.764 388 N CB -1.495 37.071 38.487 0.133 0.000 1.122 388 N HN 0.605 nan 8.380 nan 0.000 0.561 389 M N 0.669 120.256 119.600 -0.021 0.000 2.241 389 M HA 0.152 4.632 4.480 0.000 0.000 0.335 389 M C 1.188 177.380 176.300 -0.180 0.000 1.122 389 M CA 0.338 55.549 55.300 -0.148 0.000 1.164 389 M CB 0.439 32.977 32.600 -0.102 0.000 1.459 389 M HN 0.261 nan 8.290 nan 0.000 0.461 390 N N 1.247 119.799 118.700 -0.248 0.000 2.143 390 N HA 0.259 4.999 4.740 0.000 0.000 0.222 390 N C -0.632 174.769 175.510 -0.182 0.000 1.264 390 N CA -0.209 52.710 53.050 -0.219 0.000 0.897 390 N CB 0.688 38.990 38.487 -0.308 0.000 1.092 390 N HN 0.665 nan 8.380 nan 0.000 0.516 391 M N 0.446 119.933 119.600 -0.188 0.000 2.421 391 M HA 0.542 5.022 4.480 0.000 0.000 0.287 391 M C -2.054 174.171 176.300 -0.124 0.000 1.183 391 M CA -0.939 54.276 55.300 -0.143 0.000 0.916 391 M CB 2.620 35.115 32.600 -0.174 0.000 1.701 391 M HN -0.164 nan 8.290 nan 0.000 0.470 392 V N 3.878 123.754 119.914 -0.064 0.000 2.735 392 V HA 0.673 4.793 4.120 0.000 0.000 0.310 392 V C -1.404 174.694 176.094 0.006 0.000 1.061 392 V CA -0.657 61.597 62.300 -0.076 0.000 0.913 392 V CB 2.308 34.071 31.823 -0.100 0.000 1.005 392 V HN 0.976 nan 8.190 nan 0.000 0.428 393 R N 5.888 126.347 120.500 -0.067 0.000 2.255 393 R HA 0.565 4.905 4.340 0.000 0.000 0.326 393 R C -0.928 175.381 176.300 0.015 0.000 0.986 393 R CA -0.534 55.520 56.100 -0.077 0.000 0.847 393 R CB 0.978 31.026 30.300 -0.421 0.000 1.111 393 R HN 0.769 nan 8.270 nan 0.000 0.452 394 I N 5.959 126.577 120.570 0.080 0.000 2.256 394 I HA 0.105 4.276 4.170 0.000 0.000 0.294 394 I C -0.094 176.104 176.117 0.136 0.000 1.127 394 I CA -0.520 60.827 61.300 0.078 0.000 1.247 394 I CB 0.112 38.061 38.000 -0.085 0.000 1.460 394 I HN 0.617 nan 8.210 nan 0.000 0.511 395 W N 6.054 127.326 121.300 -0.047 0.000 2.181 395 W HA 0.283 4.943 4.660 -0.000 0.000 0.335 395 W C 1.259 177.757 176.519 -0.035 0.000 1.310 395 W CA -0.398 56.953 57.345 0.010 0.000 1.226 395 W CB 0.915 30.432 29.460 0.096 0.000 1.155 395 W HN 0.529 nan 8.180 nan 0.000 0.565 396 G N 2.984 111.356 108.800 -0.712 0.000 3.061 396 G HA2 0.108 4.068 3.960 0.000 0.000 0.208 396 G HA3 0.108 4.068 3.960 0.000 0.000 0.208 396 G C 0.896 175.179 174.900 -1.029 0.000 1.175 396 G CA 0.261 44.957 45.100 -0.674 0.000 0.812 396 G HN 0.857 nan 8.290 nan 0.000 0.523 397 G N -0.573 107.015 108.800 -2.021 0.000 3.126 397 G HA2 0.425 4.385 3.960 0.000 0.000 0.224 397 G HA3 0.425 4.385 3.960 0.000 0.000 0.224 397 G C 0.832 175.322 174.900 -0.683 0.000 1.142 397 G CA 0.664 44.782 45.100 -1.637 0.000 0.759 397 G HN 0.484 nan 8.290 nan 0.000 0.550 398 G N 0.180 108.691 108.800 -0.481 0.000 3.374 398 G HA2 0.500 4.460 3.960 0.000 0.000 0.200 398 G HA3 0.500 4.460 3.960 0.000 0.000 0.200 398 G C 0.112 174.950 174.900 -0.104 0.000 1.801 398 G CA 0.666 45.644 45.100 -0.203 0.000 0.842 398 G HN 0.642 nan 8.290 nan 0.000 0.688 399 T N -2.778 111.723 114.554 -0.087 0.000 2.896 399 T HA 0.544 4.894 4.350 0.000 0.000 0.297 399 T C -1.155 173.482 174.700 -0.105 0.000 1.108 399 T CA -0.738 61.377 62.100 0.025 0.000 1.004 399 T CB 1.512 70.604 68.868 0.372 0.000 1.159 399 T HN 0.285 nan 8.240 nan 0.000 0.499 400 Y N 1.689 122.030 120.300 0.068 0.000 2.650 400 Y HA 0.253 4.803 4.550 0.000 0.000 0.331 400 Y C 1.446 177.511 175.900 0.275 0.000 1.165 400 Y CA -0.232 57.952 58.100 0.141 0.000 1.473 400 Y CB 0.123 38.665 38.460 0.136 0.000 1.224 400 Y HN 0.532 nan 8.280 nan 0.000 0.533 401 E N 2.714 123.122 120.200 0.346 0.000 2.391 401 E HA -0.004 4.346 4.350 0.000 0.000 0.255 401 E C 0.056 176.898 176.600 0.404 0.000 1.187 401 E CA -0.346 56.194 56.400 0.234 0.000 0.941 401 E CB 0.426 29.865 29.700 -0.434 0.000 1.010 401 E HN 0.745 nan 8.360 nan 0.000 0.458 402 N N 1.022 119.883 118.700 0.268 0.000 2.326 402 N HA -0.043 4.697 4.740 0.000 0.000 0.239 402 N C 0.486 176.118 175.510 0.203 0.000 1.301 402 N CA -0.123 53.022 53.050 0.158 0.000 0.909 402 N CB 0.227 38.711 38.487 -0.005 0.000 1.156 402 N HN 0.211 nan 8.380 nan 0.000 0.462 403 N N -0.413 118.358 118.700 0.117 0.000 2.223 403 N HA -0.114 4.626 4.740 0.000 0.000 0.185 403 N C 1.439 176.995 175.510 0.076 0.000 1.016 403 N CA 0.507 53.647 53.050 0.150 0.000 0.863 403 N CB -0.519 38.033 38.487 0.108 0.000 0.983 403 N HN 0.547 nan 8.380 nan 0.000 0.429 404 L N 0.423 121.608 121.223 -0.063 0.000 2.042 404 L HA -0.089 4.251 4.340 0.000 0.000 0.210 404 L C 2.046 178.777 176.870 -0.231 0.000 1.076 404 L CA 1.345 56.082 54.840 -0.172 0.000 0.749 404 L CB -0.954 40.916 42.059 -0.315 0.000 0.893 404 L HN 0.067 nan 8.230 nan 0.000 0.432 405 F N -0.670 119.057 119.950 -0.371 0.000 2.065 405 F HA -0.362 4.165 4.527 -0.000 0.000 0.298 405 F C 2.136 177.626 175.800 -0.516 0.000 1.112 405 F CA 2.166 59.979 58.000 -0.313 0.000 1.212 405 F CB -0.494 38.349 39.000 -0.262 0.000 0.975 405 F HN 0.180 nan 8.300 nan 0.000 0.476 406 Y N 0.337 120.596 120.300 -0.070 0.000 2.242 406 Y HA -0.219 4.330 4.550 -0.000 0.000 0.291 406 Y C 2.384 178.016 175.900 -0.446 0.000 1.137 406 Y CA 1.229 59.083 58.100 -0.410 0.000 1.181 406 Y CB -0.923 36.948 38.460 -0.981 0.000 0.989 406 Y HN 0.066 nan 8.280 nan 0.000 0.527 407 D N 0.239 120.550 120.400 -0.149 0.000 2.149 407 D HA -0.165 4.475 4.640 0.000 0.000 0.198 407 D C 2.157 178.322 176.300 -0.224 0.000 0.990 407 D CA 1.212 55.188 54.000 -0.041 0.000 0.839 407 D CB -0.395 40.402 40.800 -0.005 0.000 0.948 407 D HN 0.318 nan 8.370 nan 0.000 0.460 408 L N 0.486 121.389 121.223 -0.532 0.000 2.056 408 L HA -0.110 4.230 4.340 0.000 0.000 0.207 408 L C 2.534 178.833 176.870 -0.952 0.000 1.078 408 L CA 1.043 55.368 54.840 -0.858 0.000 0.749 408 L CB -0.372 40.855 42.059 -1.387 0.000 0.901 408 L HN -0.029 nan 8.230 nan 0.000 0.433 409 A N -0.125 122.077 122.820 -1.030 0.000 1.902 409 A HA -0.241 4.079 4.320 0.000 0.000 0.217 409 A C 1.903 179.494 177.584 0.012 0.000 1.181 409 A CA 1.992 53.830 52.037 -0.331 0.000 0.623 409 A CB -0.529 18.396 19.000 -0.124 0.000 0.818 409 A HN 0.350 nan 8.150 nan 0.000 0.443 410 D N -0.055 120.364 120.400 0.032 0.000 2.092 410 D HA -0.188 4.452 4.640 0.000 0.000 0.193 410 D C 2.002 178.532 176.300 0.383 0.000 0.994 410 D CA 1.777 55.943 54.000 0.276 0.000 0.828 410 D CB -0.447 40.468 40.800 0.191 0.000 0.963 410 D HN 0.875 nan 8.370 nan 0.000 0.450 411 E N -0.195 120.080 120.200 0.125 0.000 2.435 411 E HA -0.028 4.322 4.350 0.000 0.000 0.195 411 E C 1.060 177.667 176.600 0.011 0.000 1.029 411 E CA 0.472 56.917 56.400 0.075 0.000 0.865 411 E CB -0.051 29.659 29.700 0.016 0.000 0.833 411 E HN 0.136 nan 8.360 nan 0.000 0.510 412 N N 0.585 119.283 118.700 -0.003 0.000 2.236 412 N HA 0.059 4.799 4.740 0.000 0.000 0.196 412 N C 0.586 176.078 175.510 -0.030 0.000 1.114 412 N CA 0.742 53.791 53.050 -0.003 0.000 0.859 412 N CB 1.318 39.837 38.487 0.053 0.000 0.982 412 N HN 0.378 nan 8.380 nan 0.000 0.493 413 G N 1.699 110.480 108.800 -0.033 0.000 2.198 413 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 413 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 413 G C -0.160 174.724 174.900 -0.027 0.000 1.042 413 G CA -0.114 44.834 45.100 -0.252 0.000 0.791 413 G HN 0.291 nan 8.290 nan 0.000 0.502 414 I N 0.337 121.008 120.570 0.168 0.000 2.355 414 I HA 0.390 4.560 4.170 0.000 0.000 0.288 414 I C 0.622 176.856 176.117 0.195 0.000 0.999 414 I CA -1.157 60.214 61.300 0.118 0.000 1.163 414 I CB 1.258 39.321 38.000 0.104 0.000 1.316 414 I HN -0.038 nan 8.210 nan 0.000 0.454 415 L N 7.226 128.531 121.223 0.135 0.000 2.485 415 L HA 0.162 4.502 4.340 0.000 0.000 0.275 415 L C -0.085 176.815 176.870 0.051 0.000 1.207 415 L CA 0.479 55.372 54.840 0.089 0.000 0.855 415 L CB 0.614 42.642 42.059 -0.052 0.000 1.114 415 L HN 0.270 nan 8.230 nan 0.000 0.485 416 V N 2.307 122.263 119.914 0.070 0.000 2.448 416 V HA 0.287 4.407 4.120 0.000 0.000 0.295 416 V C -0.854 175.324 176.094 0.140 0.000 1.025 416 V CA -0.726 61.644 62.300 0.116 0.000 0.859 416 V CB 1.699 33.618 31.823 0.159 0.000 0.988 416 V HN 0.730 nan 8.190 nan 0.000 0.431 417 W N 5.904 127.195 121.300 -0.016 0.000 2.291 417 W HA 0.571 5.231 4.660 -0.000 0.000 0.312 417 W C -0.549 175.960 176.519 -0.018 0.000 1.061 417 W CA -1.207 56.154 57.345 0.027 0.000 1.296 417 W CB 1.423 30.951 29.460 0.115 0.000 1.223 417 W HN 0.636 nan 8.180 nan 0.000 0.421 418 Q N 4.729 124.621 119.800 0.154 0.000 2.398 418 Q HA 0.219 4.559 4.340 0.000 0.000 0.251 418 Q C -0.813 175.277 176.000 0.151 0.000 0.999 418 Q CA -0.085 55.731 55.803 0.021 0.000 0.874 418 Q CB 0.576 29.042 28.738 -0.452 0.000 1.215 418 Q HN 0.285 nan 8.270 nan 0.000 0.470 419 D N 3.131 123.684 120.400 0.255 0.000 2.372 419 D HA 0.122 4.762 4.640 0.000 0.000 0.243 419 D C -0.341 176.029 176.300 0.116 0.000 1.121 419 D CA 0.162 54.309 54.000 0.247 0.000 0.898 419 D CB 0.383 41.278 40.800 0.158 0.000 1.202 419 D HN 0.419 nan 8.370 nan 0.000 0.428 420 F N 0.753 120.939 119.950 0.393 0.000 2.490 420 F HA 0.063 4.590 4.527 -0.000 0.000 0.336 420 F C 1.512 177.262 175.800 -0.083 0.000 1.178 420 F CA -0.227 57.986 58.000 0.355 0.000 1.301 420 F CB 0.349 39.709 39.000 0.601 0.000 1.175 420 F HN 0.059 nan 8.300 nan 0.000 0.593 421 M N 3.604 122.961 119.600 -0.405 0.000 3.586 421 M HA 0.200 4.680 4.480 0.000 0.000 0.225 421 M C -1.483 174.274 176.300 -0.905 0.000 1.428 421 M CA 0.274 55.088 55.300 -0.811 0.000 1.613 421 M CB -1.609 30.187 32.600 -1.340 0.000 1.063 421 M HN 0.290 nan 8.290 nan 0.000 0.593 422 F N 0.582 120.455 119.950 -0.129 0.000 2.539 422 F HA 0.711 5.238 4.527 -0.000 0.000 0.318 422 F C -0.120 175.726 175.800 0.077 0.000 1.135 422 F CA -0.987 56.953 58.000 -0.099 0.000 0.915 422 F CB 1.864 40.829 39.000 -0.059 0.000 1.176 422 F HN 0.334 nan 8.300 nan 0.000 0.440 423 A N 1.442 124.545 122.820 0.472 0.000 2.429 423 A HA 0.595 4.915 4.320 0.000 0.000 0.289 423 A C 0.037 177.964 177.584 0.572 0.000 1.043 423 A CA -0.676 51.579 52.037 0.364 0.000 0.722 423 A CB 0.650 19.654 19.000 0.007 0.000 1.243 423 A HN 1.087 nan 8.150 nan 0.000 0.415 424 C N 0.177 119.748 119.300 0.451 0.000 4.933 424 C HA -0.123 4.337 4.460 0.000 0.000 0.249 424 C C 0.919 176.108 174.990 0.331 0.000 1.406 424 C CA 1.558 60.820 59.018 0.407 0.000 1.505 424 C CB -2.191 25.897 27.740 0.579 0.000 1.870 424 C HN 1.526 nan 8.230 nan 0.000 0.651 425 T N 0.884 115.601 114.554 0.270 0.000 2.909 425 T HA 0.608 4.959 4.350 0.000 0.000 0.299 425 T C -2.747 172.045 174.700 0.154 0.000 1.073 425 T CA -1.188 61.004 62.100 0.152 0.000 0.999 425 T CB 2.383 71.186 68.868 -0.109 0.000 1.098 425 T HN 0.072 nan 8.240 nan 0.000 0.477 426 P HA 0.257 nan 4.420 nan 0.000 0.272 426 P C -1.256 176.083 177.300 0.064 0.000 1.230 426 P CA -0.144 63.143 63.100 0.311 0.000 0.788 426 P CB 0.568 32.441 31.700 0.289 0.000 0.949 427 Y N -0.117 120.280 120.300 0.161 0.000 2.621 427 Y HA 0.441 4.991 4.550 0.000 0.000 0.334 427 Y C -1.647 174.124 175.900 -0.215 0.000 1.074 427 Y CA -2.352 55.651 58.100 -0.160 0.000 1.149 427 Y CB 0.604 39.134 38.460 0.117 0.000 1.302 427 Y HN 0.266 nan 8.280 nan 0.000 0.501 428 P HA 0.033 nan 4.420 nan 0.000 0.269 428 P C -0.384 176.907 177.300 -0.016 0.000 1.217 428 P CA 0.287 63.224 63.100 -0.273 0.000 0.783 428 P CB 0.541 31.816 31.700 -0.708 0.000 0.898 429 S N -1.826 113.948 115.700 0.123 0.000 3.073 429 S HA 0.108 4.578 4.470 0.000 0.000 0.252 429 S C -0.065 174.626 174.600 0.152 0.000 0.953 429 S CA -0.715 57.586 58.200 0.169 0.000 1.105 429 S CB -0.616 62.632 63.200 0.081 0.000 1.070 429 S HN 0.483 nan 8.310 nan 0.000 0.574 430 D N 1.543 122.051 120.400 0.180 0.000 2.362 430 D HA 0.173 4.813 4.640 0.000 0.000 0.242 430 D C -1.995 174.392 176.300 0.145 0.000 1.132 430 D CA -1.172 52.913 54.000 0.142 0.000 0.907 430 D CB 0.809 41.692 40.800 0.138 0.000 1.195 430 D HN -0.038 nan 8.370 nan 0.000 0.429 431 P HA -0.211 nan 4.420 nan 0.000 0.216 431 P C 1.688 179.029 177.300 0.068 0.000 1.154 431 P CA 2.485 65.617 63.100 0.054 0.000 0.865 431 P CB -0.107 31.613 31.700 0.034 0.000 0.789 432 T N -3.838 110.776 114.554 0.101 0.000 2.857 432 T HA -0.162 4.188 4.350 0.000 0.000 0.266 432 T C 1.715 176.502 174.700 0.145 0.000 1.048 432 T CA 0.677 62.839 62.100 0.103 0.000 1.139 432 T CB -1.395 67.533 68.868 0.100 0.000 0.874 432 T HN -0.026 nan 8.240 nan 0.000 0.455 433 F N 2.028 122.012 119.950 0.058 0.000 2.134 433 F HA 0.179 4.706 4.527 0.000 0.000 0.299 433 F C 1.996 177.816 175.800 0.032 0.000 1.097 433 F CA 0.870 58.915 58.000 0.075 0.000 1.264 433 F CB -0.415 38.648 39.000 0.104 0.000 1.001 433 F HN 0.066 nan 8.300 nan 0.000 0.479 434 L N -0.014 121.209 121.223 0.000 0.000 2.083 434 L HA -0.225 4.115 4.340 0.000 0.000 0.209 434 L C 2.489 179.251 176.870 -0.179 0.000 1.083 434 L CA 1.466 56.212 54.840 -0.157 0.000 0.752 434 L CB -0.742 41.270 42.059 -0.079 0.000 0.899 434 L HN 0.085 nan 8.230 nan 0.000 0.433 435 K N 0.736 121.080 120.400 -0.093 0.000 2.032 435 K HA -0.185 4.135 4.320 0.000 0.000 0.209 435 K C 2.144 178.684 176.600 -0.101 0.000 1.048 435 K CA 1.574 57.814 56.287 -0.079 0.000 0.927 435 K CB -0.161 32.322 32.500 -0.028 0.000 0.712 435 K HN 0.109 nan 8.250 nan 0.000 0.441 436 R N -0.559 119.875 120.500 -0.110 0.000 2.083 436 R HA -0.100 4.240 4.340 0.000 0.000 0.237 436 R C 2.213 178.405 176.300 -0.180 0.000 1.137 436 R CA 1.600 57.630 56.100 -0.116 0.000 0.951 436 R CB -0.565 29.677 30.300 -0.097 0.000 0.851 436 R HN 0.022 nan 8.270 nan 0.000 0.434 437 V N 1.099 120.820 119.914 -0.322 0.000 2.407 437 V HA -0.260 3.860 4.120 0.000 0.000 0.248 437 V C 2.278 178.254 176.094 -0.197 0.000 1.055 437 V CA 1.947 64.092 62.300 -0.257 0.000 1.049 437 V CB -0.505 31.100 31.823 -0.363 0.000 0.662 437 V HN 0.407 nan 8.190 nan 0.000 0.455 438 E N 0.315 120.390 120.200 -0.208 0.000 2.058 438 E HA -0.274 4.076 4.350 0.000 0.000 0.194 438 E C 2.281 178.783 176.600 -0.164 0.000 0.997 438 E CA 1.554 57.842 56.400 -0.188 0.000 0.801 438 E CB -0.289 29.321 29.700 -0.150 0.000 0.746 438 E HN 0.560 nan 8.360 nan 0.000 0.450 439 A N 1.356 124.099 122.820 -0.128 0.000 1.892 439 A HA -0.311 4.009 4.320 0.000 0.000 0.218 439 A C 2.125 179.645 177.584 -0.107 0.000 1.188 439 A CA 2.055 54.025 52.037 -0.113 0.000 0.631 439 A CB -0.807 18.141 19.000 -0.087 0.000 0.822 439 A HN 0.558 nan 8.150 nan 0.000 0.447 440 E N -0.149 120.001 120.200 -0.082 0.000 2.072 440 E HA -0.097 4.253 4.350 0.000 0.000 0.191 440 E C 2.125 178.662 176.600 -0.105 0.000 0.985 440 E CA 1.112 57.491 56.400 -0.034 0.000 0.801 440 E CB -0.310 29.432 29.700 0.070 0.000 0.750 440 E HN 0.505 nan 8.360 nan 0.000 0.452 441 A N 0.915 123.657 122.820 -0.130 0.000 1.858 441 A HA -0.124 4.196 4.320 0.000 0.000 0.216 441 A C 2.467 179.887 177.584 -0.274 0.000 1.190 441 A CA 1.586 53.536 52.037 -0.145 0.000 0.617 441 A CB -0.837 17.991 19.000 -0.286 0.000 0.827 441 A HN 0.225 nan 8.150 nan 0.000 0.443 442 V N -1.208 118.500 119.914 -0.343 0.000 2.287 442 V HA -0.302 3.818 4.120 0.000 0.000 0.248 442 V C 2.378 178.205 176.094 -0.444 0.000 1.053 442 V CA 2.259 64.210 62.300 -0.582 0.000 1.027 442 V CB -1.101 30.348 31.823 -0.624 0.000 0.646 442 V HN 0.713 nan 8.190 nan 0.000 0.447 443 Y N 1.748 121.831 120.300 -0.361 0.000 2.097 443 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 443 Y C 2.545 178.284 175.900 -0.269 0.000 1.152 443 Y CA 2.186 60.114 58.100 -0.287 0.000 1.136 443 Y CB -0.424 37.893 38.460 -0.239 0.000 0.975 443 Y HN 0.261 nan 8.280 nan 0.000 0.498 444 N N 0.335 118.833 118.700 -0.337 0.000 2.270 444 N HA -0.120 4.620 4.740 0.000 0.000 0.181 444 N C 1.936 177.290 175.510 -0.261 0.000 1.016 444 N CA 1.537 54.345 53.050 -0.403 0.000 0.870 444 N CB -0.144 38.017 38.487 -0.543 0.000 0.979 444 N HN 0.447 nan 8.380 nan 0.000 0.431 445 I N 1.348 121.737 120.570 -0.301 0.000 2.142 445 I HA -0.232 3.938 4.170 0.000 0.000 0.240 445 I C 2.409 178.383 176.117 -0.238 0.000 1.078 445 I CA 1.144 62.306 61.300 -0.231 0.000 1.343 445 I CB -0.106 37.638 38.000 -0.426 0.000 1.046 445 I HN 0.013 nan 8.210 nan 0.000 0.405 446 R N 0.079 120.350 120.500 -0.381 0.000 2.096 446 R HA -0.169 4.171 4.340 0.000 0.000 0.235 446 R C 2.423 178.513 176.300 -0.350 0.000 1.127 446 R CA 1.172 57.051 56.100 -0.368 0.000 0.968 446 R CB -0.347 29.739 30.300 -0.358 0.000 0.861 446 R HN 0.297 nan 8.270 nan 0.000 0.440 447 R N 0.731 120.969 120.500 -0.436 0.000 2.092 447 R HA -0.068 4.272 4.340 0.000 0.000 0.231 447 R C 1.641 177.784 176.300 -0.261 0.000 1.119 447 R CA 1.222 57.085 56.100 -0.394 0.000 0.970 447 R CB 0.061 30.021 30.300 -0.567 0.000 0.864 447 R HN 0.209 nan 8.270 nan 0.000 0.440 448 L N 0.334 121.422 121.223 -0.224 0.000 2.556 448 L HA 0.140 4.480 4.340 0.000 0.000 0.226 448 L C 2.080 178.880 176.870 -0.117 0.000 1.089 448 L CA 0.002 54.737 54.840 -0.174 0.000 0.864 448 L CB -0.005 41.842 42.059 -0.352 0.000 1.067 448 L HN 0.189 nan 8.230 nan 0.000 0.477 449 R N -0.366 120.042 120.500 -0.153 0.000 2.316 449 R HA -0.027 4.313 4.340 0.000 0.000 0.202 449 R C 0.828 177.019 176.300 -0.182 0.000 1.029 449 R CA 0.804 56.829 56.100 -0.126 0.000 1.018 449 R CB -0.398 29.773 30.300 -0.214 0.000 0.888 449 R HN 0.348 nan 8.270 nan 0.000 0.471 450 N N 0.528 119.006 118.700 -0.371 0.000 2.336 450 N HA -0.010 4.730 4.740 0.000 0.000 0.189 450 N C -0.451 174.767 175.510 -0.487 0.000 1.113 450 N CA 0.152 52.908 53.050 -0.490 0.000 0.858 450 N CB 0.157 38.102 38.487 -0.904 0.000 0.970 450 N HN 0.308 nan 8.380 nan 0.000 0.471 451 H N 0.681 119.596 119.070 -0.258 0.000 2.742 451 H HA 0.177 4.733 4.556 0.000 0.000 0.302 451 H C 1.089 176.235 175.328 -0.302 0.000 1.069 451 H CA -0.218 55.697 56.048 -0.222 0.000 1.446 451 H CB 1.477 31.157 29.762 -0.137 0.000 1.462 451 H HN 0.074 nan 8.280 nan 0.000 0.499 452 A N 3.497 126.120 122.820 -0.327 0.000 1.948 452 A HA -0.252 4.068 4.320 0.000 0.000 0.220 452 A C 2.391 179.490 177.584 -0.809 0.000 1.177 452 A CA 2.178 53.768 52.037 -0.744 0.000 0.636 452 A CB -0.557 17.642 19.000 -1.335 0.000 0.815 452 A HN 0.740 nan 8.150 nan 0.000 0.449 453 S N -1.055 114.387 115.700 -0.430 0.000 2.423 453 S HA 0.048 4.518 4.470 0.000 0.000 0.231 453 S C 0.716 175.260 174.600 -0.093 0.000 1.014 453 S CA 0.509 58.602 58.200 -0.178 0.000 0.965 453 S CB -0.669 62.573 63.200 0.069 0.000 0.785 453 S HN 0.419 nan 8.310 nan 0.000 0.495 454 L N 2.036 123.202 121.223 -0.095 0.000 2.500 454 L HA 0.503 4.843 4.340 0.000 0.000 0.272 454 L C 0.879 177.670 176.870 -0.131 0.000 1.149 454 L CA 0.106 54.872 54.840 -0.124 0.000 0.897 454 L CB 0.277 42.217 42.059 -0.198 0.000 1.178 454 L HN 0.213 nan 8.230 nan 0.000 0.473 455 A N 6.579 129.347 122.820 -0.087 0.000 2.108 455 A HA 0.457 4.777 4.320 0.000 0.000 0.206 455 A C 0.464 178.067 177.584 0.032 0.000 1.212 455 A CA 0.834 52.881 52.037 0.017 0.000 0.843 455 A CB 0.043 19.104 19.000 0.101 0.000 0.902 455 A HN 0.784 nan 8.150 nan 0.000 0.477 456 M N -4.333 115.207 119.600 -0.101 0.000 2.853 456 M HA 0.575 5.055 4.480 0.000 0.000 0.273 456 M C -2.371 173.756 176.300 -0.289 0.000 1.128 456 M CA -0.713 54.535 55.300 -0.087 0.000 0.814 456 M CB 0.771 33.369 32.600 -0.004 0.000 1.667 456 M HN 0.052 nan 8.290 nan 0.000 0.519 457 W N 0.782 122.061 121.300 -0.036 0.000 2.639 457 W HA 0.785 5.445 4.660 -0.000 0.000 0.347 457 W C -0.929 175.513 176.519 -0.129 0.000 1.067 457 W CA -0.385 56.937 57.345 -0.038 0.000 1.218 457 W CB 1.963 31.511 29.460 0.147 0.000 1.393 457 W HN 0.865 nan 8.180 nan 0.000 0.557 458 C N 2.083 121.522 119.300 0.231 0.000 2.481 458 C HA 0.580 5.040 4.460 0.000 0.000 0.324 458 C C 1.503 176.700 174.990 0.345 0.000 1.170 458 C CA 0.051 59.123 59.018 0.089 0.000 1.361 458 C CB 0.341 28.293 27.740 0.352 0.000 1.977 458 C HN 0.992 nan 8.230 nan 0.000 0.459 459 G N 4.264 113.139 108.800 0.124 0.000 2.469 459 G HA2 -0.015 3.945 3.960 0.000 0.000 0.219 459 G HA3 -0.015 3.945 3.960 0.000 0.000 0.219 459 G C 0.288 175.458 174.900 0.451 0.000 1.150 459 G CA 1.566 46.997 45.100 0.551 0.000 0.763 459 G HN 1.146 nan 8.290 nan 0.000 0.561 460 N N -2.676 116.116 118.700 0.154 0.000 3.185 460 N HA 0.203 4.943 4.740 0.000 0.000 0.238 460 N C -1.619 173.967 175.510 0.127 0.000 1.451 460 N CA -0.895 52.208 53.050 0.089 0.000 0.888 460 N CB 0.571 38.863 38.487 -0.326 0.000 1.413 460 N HN 0.001 nan 8.380 nan 0.000 0.511 461 N N 0.019 118.805 118.700 0.143 0.000 2.426 461 N HA 0.266 5.006 4.740 0.000 0.000 0.257 461 N C -0.898 174.742 175.510 0.217 0.000 1.002 461 N CA -0.141 53.054 53.050 0.241 0.000 0.942 461 N CB 0.374 39.015 38.487 0.255 0.000 1.112 461 N HN 0.756 nan 8.380 nan 0.000 0.499 462 E N 1.453 121.733 120.200 0.133 0.000 3.286 462 E HA -0.267 4.083 4.350 0.000 0.000 0.292 462 E C 0.524 177.030 176.600 -0.156 0.000 0.928 462 E CA 0.571 56.968 56.400 -0.004 0.000 0.982 462 E CB -1.265 28.523 29.700 0.146 0.000 1.500 462 E HN 0.678 nan 8.360 nan 0.000 0.441 463 I N -0.279 120.266 120.570 -0.041 0.000 2.277 463 I HA -0.196 3.974 4.170 0.000 0.000 0.243 463 I C 2.384 178.405 176.117 -0.159 0.000 1.094 463 I CA 0.852 62.149 61.300 -0.005 0.000 1.393 463 I CB -0.191 37.915 38.000 0.177 0.000 1.078 463 I HN 0.133 nan 8.210 nan 0.000 0.417 464 L N 1.246 122.338 121.223 -0.219 0.000 2.046 464 L HA -0.226 4.114 4.340 0.000 0.000 0.208 464 L C 2.463 179.122 176.870 -0.351 0.000 1.077 464 L CA 1.881 56.456 54.840 -0.441 0.000 0.747 464 L CB -0.643 41.201 42.059 -0.359 0.000 0.896 464 L HN 0.235 nan 8.230 nan 0.000 0.432 465 E N -0.658 119.375 120.200 -0.278 0.000 2.070 465 E HA -0.301 4.049 4.350 0.000 0.000 0.197 465 E C 2.092 178.259 176.600 -0.722 0.000 1.004 465 E CA 1.461 57.693 56.400 -0.279 0.000 0.805 465 E CB -0.217 29.367 29.700 -0.193 0.000 0.744 465 E HN 0.612 nan 8.360 nan 0.000 0.451 466 A N 0.850 122.995 122.820 -1.124 0.000 1.877 466 A HA -0.172 4.148 4.320 0.000 0.000 0.216 466 A C 2.235 179.235 177.584 -0.972 0.000 1.186 466 A CA 1.396 52.558 52.037 -1.457 0.000 0.620 466 A CB -0.763 17.673 19.000 -0.939 0.000 0.822 466 A HN 0.334 nan 8.150 nan 0.000 0.443 467 L N -1.030 119.899 121.223 -0.492 0.000 2.079 467 L HA -0.223 4.117 4.340 0.000 0.000 0.210 467 L C 2.566 179.283 176.870 -0.256 0.000 1.081 467 L CA 1.877 56.581 54.840 -0.226 0.000 0.752 467 L CB -0.315 41.624 42.059 -0.200 0.000 0.896 467 L HN 0.369 nan 8.230 nan 0.000 0.433 468 K N -1.664 118.453 120.400 -0.472 0.000 2.166 468 K HA -0.026 4.294 4.320 0.000 0.000 0.201 468 K C 1.190 177.335 176.600 -0.758 0.000 1.052 468 K CA 0.970 56.844 56.287 -0.688 0.000 0.969 468 K CB 0.214 32.075 32.500 -1.065 0.000 0.761 468 K HN 0.180 nan 8.250 nan 0.000 0.459 469 Y N -2.670 117.495 120.300 -0.225 0.000 2.471 469 Y HA 0.115 4.665 4.550 -0.000 0.000 0.249 469 Y C 0.551 176.514 175.900 0.106 0.000 1.116 469 Y CA -0.680 57.376 58.100 -0.072 0.000 1.240 469 Y CB 0.542 38.984 38.460 -0.029 0.000 1.251 469 Y HN 0.064 nan 8.280 nan 0.000 0.527 470 W N 0.570 121.708 121.300 -0.269 0.000 3.330 470 W HA 0.546 5.206 4.660 -0.000 0.000 0.348 470 W C 1.171 177.567 176.519 -0.204 0.000 1.205 470 W CA -0.156 57.024 57.345 -0.275 0.000 1.841 470 W CB -0.284 28.950 29.460 -0.376 0.000 1.084 470 W HN 0.146 nan 8.180 nan 0.000 0.665 471 G N 0.292 109.107 108.800 0.024 0.000 2.204 471 G HA2 -0.332 3.628 3.960 0.000 0.000 0.244 471 G HA3 -0.332 3.628 3.960 0.000 0.000 0.244 471 G C 0.607 175.645 174.900 0.230 0.000 1.062 471 G CA -0.064 45.086 45.100 0.084 0.000 0.798 471 G HN 0.059 nan 8.290 nan 0.000 0.496 472 F N 0.400 120.425 119.950 0.125 0.000 2.250 472 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 472 F C 2.286 178.164 175.800 0.130 0.000 1.077 472 F CA 1.841 59.983 58.000 0.236 0.000 1.348 472 F CB -0.166 39.105 39.000 0.453 0.000 1.040 472 F HN 0.659 nan 8.300 nan 0.000 0.509 473 E N -0.920 119.327 120.200 0.078 0.000 2.467 473 E HA -0.008 4.342 4.350 0.000 0.000 0.213 473 E C 1.880 178.403 176.600 -0.129 0.000 0.823 473 E CA 0.171 56.402 56.400 -0.282 0.000 1.233 473 E CB 0.143 29.452 29.700 -0.652 0.000 1.233 473 E HN -0.089 nan 8.360 nan 0.000 0.585 474 K N 0.719 121.078 120.400 -0.069 0.000 2.365 474 K HA 0.080 4.400 4.320 0.000 0.000 0.199 474 K C 1.589 178.123 176.600 -0.110 0.000 1.045 474 K CA 1.213 57.460 56.287 -0.067 0.000 0.962 474 K CB -0.178 32.297 32.500 -0.043 0.000 0.759 474 K HN 0.231 nan 8.250 nan 0.000 0.469 475 K N -1.204 119.092 120.400 -0.174 0.000 2.379 475 K HA 0.209 4.529 4.320 0.000 0.000 0.194 475 K C -0.430 175.674 176.600 -0.827 0.000 1.031 475 K CA 0.343 56.322 56.287 -0.513 0.000 1.037 475 K CB 0.280 32.336 32.500 -0.740 0.000 0.824 475 K HN 0.145 nan 8.250 nan 0.000 0.516 476 F N -0.121 119.801 119.950 -0.046 0.000 2.613 476 F HA 0.125 4.652 4.527 0.000 0.000 0.314 476 F C 0.518 176.274 175.800 -0.074 0.000 1.075 476 F CA -1.490 56.452 58.000 -0.097 0.000 0.945 476 F CB 1.051 39.956 39.000 -0.158 0.000 1.310 476 F HN -0.196 nan 8.300 nan 0.000 0.467 477 T N -1.136 113.486 114.554 0.112 0.000 2.855 477 T HA 0.142 4.492 4.350 0.000 0.000 0.314 477 T C -2.089 172.656 174.700 0.074 0.000 1.077 477 T CA -1.000 61.134 62.100 0.056 0.000 1.095 477 T CB 0.889 69.776 68.868 0.031 0.000 0.987 477 T HN 0.305 nan 8.240 nan 0.000 0.546 478 P HA -0.123 nan 4.420 nan 0.000 0.216 478 P C 1.694 179.050 177.300 0.093 0.000 1.150 478 P CA 1.013 64.160 63.100 0.079 0.000 0.837 478 P CB 0.066 31.794 31.700 0.046 0.000 0.786 479 E N -0.455 119.772 120.200 0.046 0.000 2.107 479 E HA -0.077 4.273 4.350 0.000 0.000 0.191 479 E C 2.070 178.659 176.600 -0.018 0.000 0.982 479 E CA 0.983 57.398 56.400 0.025 0.000 0.809 479 E CB -1.589 28.119 29.700 0.013 0.000 0.756 479 E HN 0.088 nan 8.360 nan 0.000 0.459 480 V N 1.182 121.052 119.914 -0.074 0.000 2.287 480 V HA -0.298 3.822 4.120 0.000 0.000 0.248 480 V C 2.376 178.301 176.094 -0.283 0.000 1.053 480 V CA 2.150 64.281 62.300 -0.282 0.000 1.027 480 V CB -0.853 30.663 31.823 -0.511 0.000 0.646 480 V HN 0.222 nan 8.190 nan 0.000 0.447 481 Y N 0.484 120.660 120.300 -0.207 0.000 2.181 481 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 481 Y C 2.708 178.568 175.900 -0.066 0.000 1.146 481 Y CA 1.801 59.820 58.100 -0.136 0.000 1.164 481 Y CB -0.164 38.293 38.460 -0.003 0.000 0.982 481 Y HN 0.171 nan 8.280 nan 0.000 0.515 482 Q N 0.051 119.858 119.800 0.012 0.000 2.170 482 Q HA -0.101 4.239 4.340 0.000 0.000 0.203 482 Q C 2.486 178.546 176.000 0.099 0.000 0.976 482 Q CA 1.259 57.078 55.803 0.026 0.000 0.858 482 Q CB -1.025 27.800 28.738 0.145 0.000 0.907 482 Q HN 0.666 nan 8.270 nan 0.000 0.433 483 G N 0.716 109.522 108.800 0.009 0.000 2.446 483 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 483 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 483 G C 1.563 176.456 174.900 -0.012 0.000 1.168 483 G CA 0.668 45.773 45.100 0.010 0.000 0.771 483 G HN 0.313 nan 8.290 nan 0.000 0.551 484 L N -0.086 121.042 121.223 -0.158 0.000 2.012 484 L HA -0.127 4.213 4.340 0.000 0.000 0.210 484 L C 3.136 179.951 176.870 -0.092 0.000 1.073 484 L CA 0.913 55.670 54.840 -0.139 0.000 0.748 484 L CB -0.432 41.451 42.059 -0.294 0.000 0.891 484 L HN 0.145 nan 8.230 nan 0.000 0.431 485 M N -0.702 118.737 119.600 -0.269 0.000 2.080 485 M HA -0.232 4.248 4.480 0.000 0.000 0.260 485 M C 2.277 178.509 176.300 -0.114 0.000 1.068 485 M CA 1.931 57.073 55.300 -0.264 0.000 1.109 485 M CB -1.512 30.827 32.600 -0.435 0.000 1.342 485 M HN 0.263 nan 8.290 nan 0.000 0.405 486 H N -0.716 118.329 119.070 -0.042 0.000 2.389 486 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 486 H C 2.150 177.493 175.328 0.024 0.000 1.081 486 H CA 1.587 57.632 56.048 -0.005 0.000 1.345 486 H CB -0.576 29.174 29.762 -0.020 0.000 1.393 486 H HN 0.508 nan 8.280 nan 0.000 0.520 487 G N -0.463 108.428 108.800 0.152 0.000 2.432 487 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 487 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 487 G C 1.513 176.468 174.900 0.092 0.000 1.135 487 G CA 0.782 45.948 45.100 0.109 0.000 0.767 487 G HN 0.443 nan 8.290 nan 0.000 0.550 488 Y N 1.858 122.204 120.300 0.078 0.000 2.081 488 Y HA -0.209 4.341 4.550 0.000 0.000 0.280 488 Y C 2.485 178.458 175.900 0.123 0.000 1.163 488 Y CA 2.276 60.486 58.100 0.183 0.000 1.135 488 Y CB -0.093 38.437 38.460 0.117 0.000 0.970 488 Y HN 0.201 nan 8.280 nan 0.000 0.498 489 D N -0.078 120.426 120.400 0.173 0.000 2.117 489 D HA -0.160 4.480 4.640 0.000 0.000 0.197 489 D C 2.069 178.320 176.300 -0.081 0.000 0.987 489 D CA 1.496 55.528 54.000 0.053 0.000 0.829 489 D CB -0.253 40.577 40.800 0.049 0.000 0.961 489 D HN 0.372 nan 8.370 nan 0.000 0.460 490 K N -0.277 120.075 120.400 -0.080 0.000 2.063 490 K HA -0.148 4.172 4.320 0.000 0.000 0.208 490 K C 1.879 178.311 176.600 -0.280 0.000 1.048 490 K CA 0.682 56.890 56.287 -0.131 0.000 0.928 490 K CB -0.075 32.379 32.500 -0.077 0.000 0.713 490 K HN 0.068 nan 8.250 nan 0.000 0.442 491 L N -0.582 120.367 121.223 -0.456 0.000 2.130 491 L HA 0.058 4.399 4.340 0.000 0.000 0.200 491 L C 1.534 177.854 176.870 -0.917 0.000 1.075 491 L CA 1.647 55.986 54.840 -0.835 0.000 0.768 491 L CB -0.272 41.047 42.059 -1.232 0.000 0.933 491 L HN 0.005 nan 8.230 nan 0.000 0.451 492 F N -0.548 119.119 119.950 -0.471 0.000 2.714 492 F HA 0.247 4.774 4.527 -0.000 0.000 0.294 492 F C 2.049 177.770 175.800 -0.132 0.000 1.120 492 F CA 0.221 58.010 58.000 -0.351 0.000 1.398 492 F CB -0.203 38.441 39.000 -0.592 0.000 1.120 492 F HN -0.034 nan 8.300 nan 0.000 0.589 493 R N -0.243 120.226 120.500 -0.052 0.000 2.362 493 R HA 0.184 4.524 4.340 0.000 0.000 0.227 493 R C 0.702 176.935 176.300 -0.111 0.000 0.905 493 R CA 0.386 56.472 56.100 -0.023 0.000 1.067 493 R CB 0.268 30.556 30.300 -0.019 0.000 1.078 493 R HN 0.331 nan 8.270 nan 0.000 0.516 494 E N -0.277 119.810 120.200 -0.189 0.000 3.596 494 E HA 0.018 4.368 4.350 0.000 0.000 0.188 494 E C 1.172 177.610 176.600 -0.270 0.000 1.232 494 E CA -0.232 56.048 56.400 -0.200 0.000 1.460 494 E CB -0.091 29.516 29.700 -0.155 0.000 1.513 494 E HN -0.063 nan 8.360 nan 0.000 0.530 495 L N 2.034 123.070 121.223 -0.313 0.000 1.961 495 L HA -0.088 4.252 4.340 0.000 0.000 0.210 495 L C 2.078 178.688 176.870 -0.432 0.000 1.072 495 L CA 1.745 56.381 54.840 -0.339 0.000 0.749 495 L CB -0.556 41.285 42.059 -0.362 0.000 0.889 495 L HN 0.150 nan 8.230 nan 0.000 0.432 496 L N 0.020 120.911 121.223 -0.554 0.000 1.989 496 L HA -0.146 4.194 4.340 0.000 0.000 0.211 496 L C -0.117 176.252 176.870 -0.836 0.000 1.071 496 L CA 1.597 56.003 54.840 -0.725 0.000 0.749 496 L CB -2.333 39.273 42.059 -0.755 0.000 0.890 496 L HN 0.297 nan 8.230 nan 0.000 0.431 497 P HA -0.150 nan 4.420 nan 0.000 0.217 497 P C 1.744 178.739 177.300 -0.509 0.000 1.150 497 P CA 1.930 64.438 63.100 -0.986 0.000 0.832 497 P CB -0.112 31.158 31.700 -0.716 0.000 0.787 498 S N -1.577 113.896 115.700 -0.378 0.000 2.428 498 S HA -0.082 4.388 4.470 0.000 0.000 0.230 498 S C 1.871 176.328 174.600 -0.238 0.000 1.014 498 S CA 1.545 59.587 58.200 -0.264 0.000 0.957 498 S CB -1.845 61.228 63.200 -0.212 0.000 0.784 498 S HN 0.104 nan 8.310 nan 0.000 0.499 499 T N 2.269 116.666 114.554 -0.261 0.000 2.812 499 T HA 0.041 4.391 4.350 0.000 0.000 0.264 499 T C 1.888 176.520 174.700 -0.113 0.000 1.042 499 T CA 1.254 63.274 62.100 -0.132 0.000 1.140 499 T CB -0.512 68.239 68.868 -0.194 0.000 0.870 499 T HN 0.285 nan 8.240 nan 0.000 0.445 500 V N 1.480 121.229 119.914 -0.275 0.000 2.407 500 V HA -0.138 3.982 4.120 0.000 0.000 0.248 500 V C 2.527 178.525 176.094 -0.160 0.000 1.055 500 V CA 1.504 63.648 62.300 -0.260 0.000 1.049 500 V CB -0.483 31.173 31.823 -0.279 0.000 0.662 500 V HN 0.284 nan 8.190 nan 0.000 0.455 501 K N 0.576 120.864 120.400 -0.187 0.000 2.097 501 K HA -0.192 4.128 4.320 0.000 0.000 0.205 501 K C 2.124 178.614 176.600 -0.184 0.000 1.050 501 K CA 1.795 57.991 56.287 -0.153 0.000 0.938 501 K CB -0.284 32.120 32.500 -0.161 0.000 0.718 501 K HN 0.585 nan 8.250 nan 0.000 0.442 502 E N -1.522 118.520 120.200 -0.264 0.000 2.047 502 E HA -0.125 4.225 4.350 0.000 0.000 0.191 502 E C 0.996 177.237 176.600 -0.597 0.000 0.987 502 E CA 1.226 57.334 56.400 -0.485 0.000 0.799 502 E CB -0.015 29.262 29.700 -0.706 0.000 0.752 502 E HN 0.335 nan 8.360 nan 0.000 0.449 503 F N -0.653 119.193 119.950 -0.173 0.000 2.720 503 F HA 0.240 4.767 4.527 -0.000 0.000 0.301 503 F C 0.555 176.213 175.800 -0.236 0.000 1.103 503 F CA -0.082 57.789 58.000 -0.215 0.000 1.291 503 F CB 0.989 39.833 39.000 -0.260 0.000 1.086 503 F HN -0.111 nan 8.300 nan 0.000 0.592 504 D N -0.998 119.394 120.400 -0.014 0.000 3.060 504 D HA 0.161 4.801 4.640 0.000 0.000 0.326 504 D C 0.772 177.115 176.300 0.073 0.000 1.253 504 D CA 0.192 54.221 54.000 0.048 0.000 0.737 504 D CB 0.258 41.136 40.800 0.129 0.000 1.260 504 D HN -0.144 nan 8.370 nan 0.000 0.542 505 S N -0.402 115.326 115.700 0.046 0.000 2.419 505 S HA -0.108 4.362 4.470 0.000 0.000 0.233 505 S C 1.085 175.711 174.600 0.042 0.000 1.016 505 S CA 0.700 58.909 58.200 0.015 0.000 0.974 505 S CB 0.262 63.456 63.200 -0.009 0.000 0.786 505 S HN 0.366 nan 8.310 nan 0.000 0.492 506 D N 0.604 121.048 120.400 0.073 0.000 2.340 506 D HA 0.157 4.797 4.640 0.000 0.000 0.217 506 D C 0.437 176.793 176.300 0.093 0.000 1.081 506 D CA 0.148 54.186 54.000 0.064 0.000 0.842 506 D CB 0.290 41.118 40.800 0.045 0.000 0.934 506 D HN 0.275 nan 8.370 nan 0.000 0.511 507 R N 0.226 120.813 120.500 0.145 0.000 2.474 507 R HA 0.297 4.637 4.340 0.000 0.000 0.295 507 R C -0.365 176.083 176.300 0.247 0.000 0.980 507 R CA -0.821 55.400 56.100 0.201 0.000 0.934 507 R CB 1.485 31.961 30.300 0.293 0.000 1.101 507 R HN -0.121 nan 8.270 nan 0.000 0.469 508 F N 3.122 123.096 119.950 0.040 0.000 2.518 508 F HA 0.077 4.604 4.527 -0.000 0.000 0.359 508 F C -0.760 175.124 175.800 0.141 0.000 1.118 508 F CA 0.265 58.264 58.000 -0.001 0.000 1.287 508 F CB 0.343 39.222 39.000 -0.200 0.000 1.132 508 F HN 0.423 nan 8.300 nan 0.000 0.587 509 Y N 6.132 126.014 120.300 -0.697 0.000 2.425 509 Y HA 0.620 5.169 4.550 -0.000 0.000 0.344 509 Y C -1.791 173.508 175.900 -1.003 0.000 0.969 509 Y CA -1.041 56.740 58.100 -0.531 0.000 1.052 509 Y CB 1.566 39.917 38.460 -0.181 0.000 1.215 509 Y HN 0.572 nan 8.280 nan 0.000 0.451 510 V N 6.334 125.519 119.914 -1.214 0.000 2.823 510 V HA 0.265 4.385 4.120 0.000 0.000 0.312 510 V C 0.132 175.636 176.094 -0.984 0.000 1.072 510 V CA -0.401 61.388 62.300 -0.852 0.000 0.937 510 V CB 1.566 33.199 31.823 -0.316 0.000 1.013 510 V HN 1.058 nan 8.190 nan 0.000 0.430 511 H N 3.092 121.925 119.070 -0.395 0.000 2.457 511 H HA 0.367 4.923 4.556 -0.000 0.000 0.294 511 H C 0.738 176.056 175.328 -0.017 0.000 1.064 511 H CA 1.057 57.058 56.048 -0.078 0.000 1.330 511 H CB 0.174 30.071 29.762 0.225 0.000 1.395 511 H HN 0.561 nan 8.280 nan 0.000 0.541 512 S N -1.150 114.301 115.700 -0.416 0.000 2.567 512 S HA 0.466 4.936 4.470 0.000 0.000 0.270 512 S C -1.647 172.937 174.600 -0.026 0.000 1.152 512 S CA -0.455 57.658 58.200 -0.146 0.000 0.835 512 S CB 1.539 64.710 63.200 -0.048 0.000 1.115 512 S HN 0.395 nan 8.310 nan 0.000 0.459 513 S N 2.936 118.705 115.700 0.116 0.000 2.605 513 S HA 0.726 5.196 4.470 0.000 0.000 0.308 513 S C -2.974 171.514 174.600 -0.187 0.000 1.113 513 S CA -1.556 56.751 58.200 0.177 0.000 1.049 513 S CB 1.531 65.078 63.200 0.577 0.000 1.001 513 S HN 0.520 nan 8.310 nan 0.000 0.480 514 P HA 0.164 nan 4.420 nan 0.000 0.280 514 P C 0.178 177.401 177.300 -0.127 0.000 1.244 514 P CA -0.379 62.566 63.100 -0.259 0.000 0.784 514 P CB 0.324 31.862 31.700 -0.269 0.000 0.913 515 Y N 3.276 123.500 120.300 -0.127 0.000 2.373 515 Y HA 0.070 4.620 4.550 0.000 0.000 0.293 515 Y C 1.291 177.193 175.900 0.005 0.000 1.129 515 Y CA 1.032 59.034 58.100 -0.163 0.000 1.226 515 Y CB -0.629 37.700 38.460 -0.218 0.000 1.000 515 Y HN 0.234 nan 8.280 nan 0.000 0.549 516 L N -0.247 120.859 121.223 -0.196 0.000 2.718 516 L HA 0.610 4.950 4.340 0.000 0.000 0.247 516 L C 1.048 177.910 176.870 -0.015 0.000 1.028 516 L CA 0.519 55.355 54.840 -0.006 0.000 1.031 516 L CB -0.503 41.604 42.059 0.081 0.000 1.910 516 L HN 0.102 nan 8.230 nan 0.000 0.526 517 A N 1.487 124.240 122.820 -0.112 0.000 2.531 517 A HA 0.291 4.611 4.320 0.000 0.000 0.236 517 A C -0.059 177.574 177.584 0.081 0.000 1.062 517 A CA 0.395 52.455 52.037 0.039 0.000 0.760 517 A CB -0.338 18.708 19.000 0.076 0.000 0.995 517 A HN 0.501 nan 8.150 nan 0.000 0.501 518 N N 2.239 121.003 118.700 0.108 0.000 2.235 518 N HA 0.164 4.904 4.740 0.000 0.000 0.293 518 N C 0.652 176.313 175.510 0.252 0.000 1.083 518 N CA -0.633 52.421 53.050 0.006 0.000 0.801 518 N CB 1.040 39.182 38.487 -0.574 0.000 1.559 518 N HN 0.866 nan 8.380 nan 0.000 0.472 519 W N 3.020 124.475 121.300 0.258 0.000 2.595 519 W HA 0.185 4.845 4.660 -0.000 0.000 0.257 519 W C 0.480 177.256 176.519 0.430 0.000 1.267 519 W CA 0.731 58.319 57.345 0.406 0.000 1.300 519 W CB -0.420 29.216 29.460 0.295 0.000 1.120 519 W HN 0.565 nan 8.180 nan 0.000 0.618 520 G N 1.413 110.025 108.800 -0.313 0.000 3.042 520 G HA2 0.012 3.972 3.960 0.000 0.000 0.212 520 G HA3 0.012 3.972 3.960 0.000 0.000 0.212 520 G C 0.593 175.354 174.900 -0.232 0.000 1.166 520 G CA -0.315 44.547 45.100 -0.398 0.000 0.767 520 G HN -0.111 nan 8.290 nan 0.000 0.546 521 R N 0.399 120.773 120.500 -0.208 0.000 2.396 521 R HA 0.294 4.634 4.340 0.000 0.000 0.292 521 R C -2.226 173.679 176.300 -0.659 0.000 1.240 521 R CA -2.442 53.467 56.100 -0.319 0.000 1.270 521 R CB 1.423 31.561 30.300 -0.272 0.000 1.108 521 R HN 0.002 nan 8.270 nan 0.000 0.573 522 P HA -0.169 nan 4.420 nan 0.000 0.220 522 P C 1.087 177.717 177.300 -1.117 0.000 1.148 522 P CA 0.981 62.966 63.100 -1.857 0.000 0.803 522 P CB 0.424 31.446 31.700 -1.130 0.000 0.782 523 E N 0.174 120.038 120.200 -0.559 0.000 2.418 523 E HA -0.085 4.265 4.350 0.000 0.000 0.197 523 E C 1.320 177.810 176.600 -0.184 0.000 1.026 523 E CA 1.233 57.464 56.400 -0.282 0.000 0.862 523 E CB -0.822 28.779 29.700 -0.165 0.000 0.799 523 E HN 0.315 nan 8.360 nan 0.000 0.518 524 S N -0.860 114.692 115.700 -0.247 0.000 2.558 524 S HA 0.022 4.492 4.470 0.000 0.000 0.217 524 S C 1.223 175.899 174.600 0.126 0.000 0.975 524 S CA -0.433 57.739 58.200 -0.047 0.000 0.912 524 S CB -0.598 62.588 63.200 -0.024 0.000 0.776 524 S HN 0.233 nan 8.310 nan 0.000 0.526 525 W N 2.371 123.702 121.300 0.052 0.000 2.465 525 W HA 0.337 4.997 4.660 0.000 0.000 0.268 525 W C 2.217 178.791 176.519 0.092 0.000 1.242 525 W CA 0.093 57.483 57.345 0.074 0.000 1.248 525 W CB -1.317 28.212 29.460 0.115 0.000 1.118 525 W HN 0.517 nan 8.180 nan 0.000 0.587 526 G N -0.566 108.418 108.800 0.307 0.000 2.848 526 G HA2 -0.027 3.933 3.960 0.000 0.000 0.208 526 G HA3 -0.027 3.933 3.960 0.000 0.000 0.208 526 G C 0.139 175.102 174.900 0.104 0.000 1.152 526 G CA 0.380 45.606 45.100 0.210 0.000 0.789 526 G HN 0.040 nan 8.290 nan 0.000 0.531 527 T N 1.079 115.685 114.554 0.088 0.000 2.947 527 T HA 0.570 4.920 4.350 0.000 0.000 0.337 527 T C 0.805 175.422 174.700 -0.138 0.000 1.139 527 T CA 0.240 62.366 62.100 0.043 0.000 0.992 527 T CB 1.052 69.958 68.868 0.063 0.000 1.043 527 T HN 0.816 nan 8.240 nan 0.000 0.498 528 G N 4.194 112.966 108.800 -0.047 0.000 2.562 528 G HA2 -0.195 3.765 3.960 0.000 0.000 0.250 528 G HA3 -0.195 3.765 3.960 0.000 0.000 0.250 528 G C -0.605 174.120 174.900 -0.290 0.000 1.269 528 G CA -0.142 44.831 45.100 -0.211 0.000 0.919 528 G HN 0.846 nan 8.290 nan 0.000 0.574 529 D N 0.019 120.073 120.400 -0.576 0.000 2.283 529 D HA 0.596 5.236 4.640 0.000 0.000 0.248 529 D C -0.135 176.099 176.300 -0.110 0.000 1.072 529 D CA 0.100 53.917 54.000 -0.305 0.000 0.929 529 D CB 1.505 42.031 40.800 -0.457 0.000 1.182 529 D HN 0.478 nan 8.370 nan 0.000 0.433 530 S N -0.241 115.490 115.700 0.051 0.000 2.503 530 S HA 0.255 4.725 4.470 0.000 0.000 0.301 530 S C -0.557 174.203 174.600 0.266 0.000 1.087 530 S CA -0.727 57.531 58.200 0.096 0.000 1.042 530 S CB 0.976 64.163 63.200 -0.023 0.000 1.043 530 S HN 0.397 nan 8.310 nan 0.000 0.489 531 H N 2.572 121.704 119.070 0.104 0.000 2.702 531 H HA 0.202 4.758 4.556 -0.000 0.000 0.252 531 H C -0.187 175.176 175.328 0.058 0.000 1.493 531 H CA -0.491 55.629 56.048 0.120 0.000 1.273 531 H CB 0.215 30.213 29.762 0.392 0.000 1.537 531 H HN 0.338 nan 8.280 nan 0.000 0.547 532 N N 2.515 121.173 118.700 -0.071 0.000 2.508 532 N HA -0.058 4.682 4.740 0.000 0.000 0.253 532 N C -0.277 175.056 175.510 -0.295 0.000 1.145 532 N CA -0.143 52.848 53.050 -0.099 0.000 0.973 532 N CB 0.177 38.516 38.487 -0.248 0.000 1.305 532 N HN 0.629 nan 8.380 nan 0.000 0.506 533 W N 1.913 123.087 121.300 -0.210 0.000 3.305 533 W HA 0.309 4.969 4.660 -0.000 0.000 0.392 533 W C 1.887 177.779 176.519 -1.045 0.000 1.121 533 W CA -0.676 56.356 57.345 -0.521 0.000 1.909 533 W CB 0.400 29.627 29.460 -0.389 0.000 1.065 533 W HN 0.555 nan 8.180 nan 0.000 0.714 534 G N 0.523 109.022 108.800 -0.501 0.000 2.459 534 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 534 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 534 G C 0.686 175.541 174.900 -0.074 0.000 1.183 534 G CA 0.512 45.468 45.100 -0.239 0.000 0.776 534 G HN -0.037 nan 8.290 nan 0.000 0.552 535 V N 0.919 120.860 119.914 0.046 0.000 2.655 535 V HA 0.167 4.287 4.120 0.000 0.000 0.300 535 V C 0.947 177.255 176.094 0.356 0.000 1.044 535 V CA 0.324 62.746 62.300 0.203 0.000 1.095 535 V CB 0.448 32.416 31.823 0.242 0.000 0.952 535 V HN 0.628 nan 8.190 nan 0.000 0.485 536 W N 3.393 124.794 121.300 0.168 0.000 1.616 536 W HA -0.406 4.254 4.660 0.000 0.000 0.274 536 W C 1.460 177.942 176.519 -0.061 0.000 1.827 536 W CA 1.922 59.275 57.345 0.012 0.000 2.176 536 W CB -1.463 28.049 29.460 0.087 0.000 1.002 536 W HN 0.597 nan 8.180 nan 0.000 0.442 537 Y N 1.052 121.425 120.300 0.121 0.000 2.207 537 Y HA 0.001 4.551 4.550 -0.000 0.000 0.287 537 Y C 2.662 178.480 175.900 -0.138 0.000 1.156 537 Y CA 2.653 60.689 58.100 -0.107 0.000 1.182 537 Y CB -1.380 37.037 38.460 -0.071 0.000 0.979 537 Y HN 0.269 nan 8.280 nan 0.000 0.521 538 G N -0.926 107.762 108.800 -0.187 0.000 3.042 538 G HA2 0.018 3.978 3.960 0.000 0.000 0.212 538 G HA3 0.018 3.978 3.960 0.000 0.000 0.212 538 G C 0.644 175.609 174.900 0.110 0.000 1.166 538 G CA 0.007 45.149 45.100 0.072 0.000 0.767 538 G HN 0.326 nan 8.290 nan 0.000 0.546 539 K N -0.582 119.857 120.400 0.065 0.000 3.048 539 K HA -0.209 4.111 4.320 0.000 0.000 0.274 539 K C 0.220 176.797 176.600 -0.038 0.000 1.098 539 K CA 0.819 57.141 56.287 0.059 0.000 0.807 539 K CB -1.049 31.432 32.500 -0.031 0.000 1.217 539 K HN 0.417 nan 8.250 nan 0.000 0.477 540 K N 1.450 121.883 120.400 0.054 0.000 2.355 540 K HA 0.124 4.444 4.320 0.000 0.000 0.270 540 K C -2.053 174.488 176.600 -0.099 0.000 1.003 540 K CA -1.389 54.900 56.287 0.003 0.000 0.957 540 K CB 0.269 32.818 32.500 0.081 0.000 0.939 540 K HN -0.055 nan 8.250 nan 0.000 0.482 541 P HA -0.011 nan 4.420 nan 0.000 0.274 541 P C 0.184 177.438 177.300 -0.078 0.000 1.237 541 P CA -0.149 62.826 63.100 -0.209 0.000 0.793 541 P CB 0.375 31.996 31.700 -0.132 0.000 0.977 542 F N 0.488 120.484 119.950 0.076 0.000 2.192 542 F HA -0.178 4.349 4.527 0.000 0.000 0.301 542 F C 2.148 178.000 175.800 0.086 0.000 1.079 542 F CA 1.692 59.732 58.000 0.067 0.000 1.303 542 F CB -1.251 37.732 39.000 -0.029 0.000 1.024 542 F HN 0.315 nan 8.300 nan 0.000 0.494 543 E N -0.120 120.188 120.200 0.179 0.000 2.265 543 E HA -0.168 4.182 4.350 0.000 0.000 0.196 543 E C 2.304 178.994 176.600 0.151 0.000 0.996 543 E CA 1.209 57.704 56.400 0.159 0.000 0.832 543 E CB -0.647 29.094 29.700 0.068 0.000 0.756 543 E HN 0.400 nan 8.360 nan 0.000 0.491 544 S N 0.208 115.977 115.700 0.115 0.000 2.442 544 S HA -0.138 4.332 4.470 0.000 0.000 0.236 544 S C 1.854 176.494 174.600 0.067 0.000 1.007 544 S CA 0.714 58.969 58.200 0.092 0.000 0.965 544 S CB -0.412 62.839 63.200 0.084 0.000 0.773 544 S HN 0.251 nan 8.310 nan 0.000 0.504 545 L N 1.299 122.576 121.223 0.089 0.000 2.275 545 L HA -0.043 4.297 4.340 0.000 0.000 0.215 545 L C 1.993 178.836 176.870 -0.045 0.000 1.119 545 L CA 1.010 55.850 54.840 0.001 0.000 0.790 545 L CB -0.551 41.502 42.059 -0.010 0.000 0.919 545 L HN 0.255 nan 8.230 nan 0.000 0.443 546 D N -0.651 119.753 120.400 0.007 0.000 2.224 546 D HA -0.119 4.521 4.640 0.000 0.000 0.205 546 D C 2.142 178.441 176.300 -0.002 0.000 0.965 546 D CA 1.931 55.916 54.000 -0.024 0.000 0.852 546 D CB 0.111 40.937 40.800 0.042 0.000 0.947 546 D HN 0.434 nan 8.370 nan 0.000 0.494 547 T N -2.535 112.040 114.554 0.034 0.000 3.000 547 T HA 0.019 4.369 4.350 0.000 0.000 0.248 547 T C 0.592 175.347 174.700 0.091 0.000 1.034 547 T CA -0.204 61.932 62.100 0.061 0.000 1.060 547 T CB 0.217 69.142 68.868 0.096 0.000 0.983 547 T HN -0.259 nan 8.240 nan 0.000 0.482 548 D N 2.354 122.772 120.400 0.030 0.000 2.741 548 D HA 0.401 5.041 4.640 0.000 0.000 0.233 548 D C -0.407 175.749 176.300 -0.240 0.000 1.160 548 D CA -0.151 53.780 54.000 -0.114 0.000 1.003 548 D CB -0.054 40.509 40.800 -0.394 0.000 1.064 548 D HN 0.456 nan 8.370 nan 0.000 0.503 549 L N 2.187 123.416 121.223 0.009 0.000 2.371 549 L HA 0.402 4.742 4.340 0.000 0.000 0.272 549 L C -1.899 175.073 176.870 0.171 0.000 1.124 549 L CA -1.332 53.552 54.840 0.073 0.000 0.816 549 L CB 0.935 43.064 42.059 0.116 0.000 1.129 549 L HN 0.041 nan 8.230 nan 0.000 0.448 550 P HA 0.398 nan 4.420 nan 0.000 0.288 550 P C -0.514 176.823 177.300 0.062 0.000 1.300 550 P CA -0.797 62.340 63.100 0.063 0.000 0.910 550 P CB 1.732 33.350 31.700 -0.138 0.000 1.256 551 R N -0.176 120.315 120.500 -0.015 0.000 2.148 551 R HA 0.196 4.536 4.340 0.000 0.000 0.223 551 R C 0.241 176.633 176.300 0.154 0.000 1.088 551 R CA 0.808 56.874 56.100 -0.057 0.000 0.985 551 R CB -0.890 29.405 30.300 -0.007 0.000 0.880 551 R HN 0.584 nan 8.270 nan 0.000 0.451 552 F N -0.253 119.677 119.950 -0.032 0.000 2.670 552 F HA 0.268 4.795 4.527 -0.000 0.000 0.332 552 F C -1.255 174.492 175.800 -0.089 0.000 1.179 552 F CA -1.174 56.828 58.000 0.003 0.000 1.076 552 F CB 1.212 40.373 39.000 0.269 0.000 1.322 552 F HN -0.238 nan 8.300 nan 0.000 0.515 553 M N 5.380 124.756 119.600 -0.374 0.000 2.201 553 M HA 0.243 4.723 4.480 0.000 0.000 0.345 553 M C 0.469 176.777 176.300 0.014 0.000 1.352 553 M CA 0.323 55.475 55.300 -0.248 0.000 1.218 553 M CB 0.680 32.911 32.600 -0.615 0.000 1.512 553 M HN 0.541 nan 8.290 nan 0.000 0.447 554 S N 2.479 118.330 115.700 0.252 0.000 2.501 554 S HA 0.249 4.719 4.470 0.000 0.000 0.220 554 S C 0.045 174.605 174.600 -0.066 0.000 0.997 554 S CA 0.005 58.316 58.200 0.186 0.000 0.919 554 S CB -0.142 63.156 63.200 0.163 0.000 0.778 554 S HN 0.747 nan 8.310 nan 0.000 0.523 555 E N -0.026 120.130 120.200 -0.074 0.000 2.354 555 E HA 0.586 4.936 4.350 0.000 0.000 0.283 555 E C -1.560 174.944 176.600 -0.160 0.000 0.938 555 E CA -0.799 55.525 56.400 -0.127 0.000 0.777 555 E CB 2.331 31.838 29.700 -0.320 0.000 1.222 555 E HN 0.435 nan 8.360 nan 0.000 0.423 556 F N -0.619 119.041 119.950 -0.482 0.000 2.719 556 F HA 0.846 5.373 4.527 -0.000 0.000 0.309 556 F C -0.651 174.811 175.800 -0.564 0.000 1.138 556 F CA -0.590 56.909 58.000 -0.836 0.000 0.943 556 F CB 1.640 40.405 39.000 -0.392 0.000 1.304 556 F HN 0.594 nan 8.300 nan 0.000 0.445 557 G N 0.688 109.014 108.800 -0.791 0.000 2.451 557 G HA2 0.548 4.508 3.960 0.000 0.000 0.292 557 G HA3 0.548 4.508 3.960 0.000 0.000 0.292 557 G C -2.813 172.285 174.900 0.330 0.000 1.427 557 G CA -0.815 44.141 45.100 -0.239 0.000 0.792 557 G HN 1.168 nan 8.290 nan 0.000 0.498 558 F N 0.062 120.141 119.950 0.215 0.000 2.628 558 F HA 0.572 5.099 4.527 -0.000 0.000 0.309 558 F C -0.246 175.382 175.800 -0.286 0.000 1.108 558 F CA -0.696 57.355 58.000 0.084 0.000 0.971 558 F CB 1.963 41.060 39.000 0.162 0.000 1.279 558 F HN 0.560 nan 8.300 nan 0.000 0.441 559 Q N 2.404 121.239 119.800 -1.608 0.000 2.317 559 Q HA 0.665 5.005 4.340 0.000 0.000 0.229 559 Q C -0.927 174.685 176.000 -0.648 0.000 0.984 559 Q CA -0.546 54.449 55.803 -1.346 0.000 0.911 559 Q CB 1.826 29.431 28.738 -1.888 0.000 1.217 559 Q HN 0.714 nan 8.270 nan 0.000 0.501 560 S N -0.209 115.211 115.700 -0.467 0.000 2.550 560 S HA 0.515 4.985 4.470 0.000 0.000 0.270 560 S C -0.906 173.573 174.600 -0.201 0.000 1.145 560 S CA -0.893 57.171 58.200 -0.227 0.000 0.852 560 S CB 0.512 63.603 63.200 -0.182 0.000 1.119 560 S HN 0.368 nan 8.310 nan 0.000 0.465 561 F N 3.052 122.897 119.950 -0.175 0.000 2.572 561 F HA 0.326 4.853 4.527 0.000 0.000 0.370 561 F C -1.480 174.247 175.800 -0.121 0.000 1.103 561 F CA -0.927 57.009 58.000 -0.107 0.000 1.286 561 F CB 0.242 39.197 39.000 -0.074 0.000 1.105 561 F HN 0.404 nan 8.300 nan 0.000 0.583 562 P HA 0.034 nan 4.420 nan 0.000 0.272 562 P C -0.659 176.703 177.300 0.104 0.000 1.240 562 P CA -0.487 62.656 63.100 0.071 0.000 0.791 562 P CB 0.496 32.261 31.700 0.108 0.000 0.978 563 E N 1.251 121.510 120.200 0.098 0.000 2.428 563 E HA -0.009 4.341 4.350 0.000 0.000 0.257 563 E C 0.972 177.642 176.600 0.117 0.000 1.197 563 E CA -0.524 55.953 56.400 0.128 0.000 0.974 563 E CB 0.084 29.930 29.700 0.244 0.000 0.976 563 E HN 0.179 nan 8.360 nan 0.000 0.463 564 M N 1.080 120.742 119.600 0.104 0.000 2.159 564 M HA -0.148 4.332 4.480 0.000 0.000 0.263 564 M C 2.087 178.406 176.300 0.031 0.000 1.063 564 M CA 2.048 57.364 55.300 0.026 0.000 1.110 564 M CB -1.256 31.358 32.600 0.022 0.000 1.374 564 M HN 0.693 nan 8.290 nan 0.000 0.411 565 K N -1.012 119.430 120.400 0.071 0.000 2.152 565 K HA -0.122 4.198 4.320 0.000 0.000 0.206 565 K C 1.666 178.281 176.600 0.025 0.000 1.048 565 K CA 1.859 58.172 56.287 0.042 0.000 0.933 565 K CB -0.760 31.765 32.500 0.043 0.000 0.721 565 K HN 0.165 nan 8.250 nan 0.000 0.447 566 T N 1.795 116.408 114.554 0.098 0.000 2.812 566 T HA 0.060 4.410 4.350 0.000 0.000 0.264 566 T C 1.928 176.712 174.700 0.140 0.000 1.042 566 T CA 1.117 63.343 62.100 0.210 0.000 1.140 566 T CB -0.161 68.906 68.868 0.332 0.000 0.870 566 T HN 0.182 nan 8.240 nan 0.000 0.445 567 I N 1.600 122.148 120.570 -0.036 0.000 2.208 567 I HA -0.197 3.973 4.170 0.000 0.000 0.245 567 I C 2.854 178.666 176.117 -0.508 0.000 1.097 567 I CA 1.184 62.184 61.300 -0.500 0.000 1.363 567 I CB -0.460 37.345 38.000 -0.326 0.000 1.051 567 I HN 0.184 nan 8.210 nan 0.000 0.413 568 A N 0.608 123.344 122.820 -0.139 0.000 2.067 568 A HA -0.000 4.320 4.320 0.000 0.000 0.219 568 A C 2.453 180.073 177.584 0.061 0.000 1.158 568 A CA 1.439 53.492 52.037 0.028 0.000 0.661 568 A CB -0.547 18.507 19.000 0.090 0.000 0.801 568 A HN 0.436 nan 8.150 nan 0.000 0.452 569 A N -0.813 122.044 122.820 0.062 0.000 2.119 569 A HA 0.201 4.521 4.320 0.000 0.000 0.217 569 A C 1.567 179.379 177.584 0.380 0.000 1.153 569 A CA 1.244 53.413 52.037 0.221 0.000 0.692 569 A CB -0.579 18.533 19.000 0.186 0.000 0.799 569 A HN 1.105 nan 8.150 nan 0.000 0.458 570 F N -3.748 116.239 119.950 0.063 0.000 2.746 570 F HA 0.759 5.286 4.527 -0.000 0.000 0.320 570 F C 0.238 175.614 175.800 -0.707 0.000 1.097 570 F CA -0.244 57.589 58.000 -0.279 0.000 1.195 570 F CB 0.064 38.845 39.000 -0.364 0.000 1.056 570 F HN 0.175 nan 8.300 nan 0.000 0.562 571 A N 1.100 123.582 122.820 -0.564 0.000 2.556 571 A HA 0.880 5.200 4.320 0.000 0.000 0.294 571 A C -0.994 176.579 177.584 -0.018 0.000 1.091 571 A CA -0.453 51.369 52.037 -0.358 0.000 0.704 571 A CB 0.889 19.642 19.000 -0.411 0.000 1.300 571 A HN 0.556 nan 8.150 nan 0.000 0.406 572 A N 1.091 123.898 122.820 -0.021 0.000 2.294 572 A HA 0.778 5.098 4.320 0.000 0.000 0.330 572 A C -2.043 175.222 177.584 -0.532 0.000 1.133 572 A CA -1.801 50.176 52.037 -0.100 0.000 0.836 572 A CB 0.315 19.313 19.000 -0.004 0.000 1.190 572 A HN 0.450 nan 8.150 nan 0.000 0.492 573 P HA -0.138 nan 4.420 nan 0.000 0.221 573 P C 0.401 177.203 177.300 -0.829 0.000 1.145 573 P CA 1.370 63.698 63.100 -1.287 0.000 0.795 573 P CB 0.172 31.488 31.700 -0.641 0.000 0.775 574 E N -0.923 119.019 120.200 -0.431 0.000 2.482 574 E HA -0.089 4.261 4.350 0.000 0.000 0.196 574 E C 0.912 177.388 176.600 -0.206 0.000 1.047 574 E CA 0.751 57.001 56.400 -0.250 0.000 0.869 574 E CB -0.709 28.907 29.700 -0.140 0.000 0.836 574 E HN 0.368 nan 8.360 nan 0.000 0.520 575 D N -0.371 119.886 120.400 -0.237 0.000 2.349 575 D HA -0.049 4.591 4.640 0.000 0.000 0.214 575 D C -0.134 176.076 176.300 -0.149 0.000 1.063 575 D CA 0.074 54.003 54.000 -0.119 0.000 0.847 575 D CB 0.019 40.784 40.800 -0.059 0.000 0.933 575 D HN 0.194 nan 8.370 nan 0.000 0.513 576 Y N 2.147 122.122 120.300 -0.543 0.000 2.990 576 Y HA 0.240 4.790 4.550 0.000 0.000 0.360 576 Y C 0.211 175.542 175.900 -0.949 0.000 1.130 576 Y CA -0.235 57.182 58.100 -1.137 0.000 2.047 576 Y CB -1.321 36.654 38.460 -0.808 0.000 2.189 576 Y HN -0.080 nan 8.280 nan 0.000 0.406 577 Q N -0.314 119.182 119.800 -0.508 0.000 2.389 577 Q HA 0.354 4.694 4.340 0.000 0.000 0.277 577 Q C 1.115 177.120 176.000 0.009 0.000 1.082 577 Q CA -0.707 55.003 55.803 -0.155 0.000 0.810 577 Q CB 1.851 30.547 28.738 -0.070 0.000 1.374 577 Q HN 0.444 nan 8.270 nan 0.000 0.422 578 I N -2.272 118.352 120.570 0.090 0.000 2.614 578 I HA -0.051 4.119 4.170 0.000 0.000 0.258 578 I C 0.393 176.644 176.117 0.224 0.000 1.189 578 I CA 1.476 62.859 61.300 0.138 0.000 1.462 578 I CB 0.244 38.076 38.000 -0.280 0.000 1.092 578 I HN 0.604 nan 8.210 nan 0.000 0.442 579 E N 1.242 121.503 120.200 0.103 0.000 2.887 579 E HA 0.162 4.512 4.350 0.000 0.000 0.206 579 E C 0.475 177.117 176.600 0.070 0.000 0.983 579 E CA -0.190 56.268 56.400 0.096 0.000 1.141 579 E CB 0.530 30.264 29.700 0.056 0.000 1.061 579 E HN 0.629 nan 8.360 nan 0.000 0.468 580 S N -0.398 115.341 115.700 0.065 0.000 2.598 580 S HA 0.026 4.496 4.470 0.000 0.000 0.256 580 S C 1.248 175.893 174.600 0.076 0.000 1.350 580 S CA -0.262 57.965 58.200 0.045 0.000 0.984 580 S CB 1.359 64.563 63.200 0.007 0.000 0.930 580 S HN 0.288 nan 8.310 nan 0.000 0.577 581 E N -0.311 119.929 120.200 0.066 0.000 2.072 581 E HA -0.102 4.248 4.350 0.000 0.000 0.191 581 E C 1.872 178.547 176.600 0.124 0.000 0.985 581 E CA 1.272 57.721 56.400 0.082 0.000 0.801 581 E CB -0.230 29.512 29.700 0.069 0.000 0.750 581 E HN 0.565 nan 8.360 nan 0.000 0.452 582 V N 1.079 121.075 119.914 0.136 0.000 2.427 582 V HA -0.260 3.860 4.120 0.000 0.000 0.248 582 V C 2.328 178.600 176.094 0.296 0.000 1.051 582 V CA 1.235 63.660 62.300 0.210 0.000 1.048 582 V CB -0.312 31.595 31.823 0.140 0.000 0.666 582 V HN 0.383 nan 8.190 nan 0.000 0.456 583 M N -0.052 119.699 119.600 0.251 0.000 2.254 583 M HA -0.043 4.437 4.480 0.000 0.000 0.265 583 M C 1.961 178.380 176.300 0.198 0.000 1.066 583 M CA 1.268 56.756 55.300 0.314 0.000 1.123 583 M CB -1.434 31.418 32.600 0.420 0.000 1.388 583 M HN 0.372 nan 8.290 nan 0.000 0.425 584 N N 1.002 119.795 118.700 0.154 0.000 2.270 584 N HA -0.009 4.731 4.740 0.000 0.000 0.181 584 N C 1.699 177.259 175.510 0.083 0.000 1.016 584 N CA 1.383 54.489 53.050 0.095 0.000 0.870 584 N CB -0.279 38.254 38.487 0.076 0.000 0.979 584 N HN 0.332 nan 8.380 nan 0.000 0.431 585 A N 0.020 122.921 122.820 0.135 0.000 2.070 585 A HA -0.122 4.198 4.320 0.000 0.000 0.220 585 A C 0.713 178.319 177.584 0.035 0.000 1.159 585 A CA 1.314 53.426 52.037 0.125 0.000 0.656 585 A CB -0.426 18.703 19.000 0.215 0.000 0.800 585 A HN 0.341 nan 8.150 nan 0.000 0.453 586 H N -1.993 117.020 119.070 -0.095 0.000 2.467 586 H HA 0.440 4.996 4.556 -0.000 0.000 0.275 586 H C -0.409 174.721 175.328 -0.330 0.000 1.131 586 H CA 0.056 55.874 56.048 -0.383 0.000 0.989 586 H CB 0.367 29.564 29.762 -0.941 0.000 1.696 586 H HN 0.483 nan 8.280 nan 0.000 0.574 587 Q N 0.745 120.498 119.800 -0.079 0.000 2.285 587 Q HA 0.339 4.679 4.340 0.000 0.000 0.269 587 Q C -0.585 175.407 176.000 -0.014 0.000 1.030 587 Q CA -0.659 55.077 55.803 -0.112 0.000 0.788 587 Q CB 1.185 29.853 28.738 -0.117 0.000 1.266 587 Q HN -0.061 nan 8.270 nan 0.000 0.438 588 K N 1.733 122.147 120.400 0.023 0.000 2.477 588 K HA 0.225 4.545 4.320 0.000 0.000 0.208 588 K C -0.068 176.596 176.600 0.106 0.000 1.117 588 K CA -0.124 56.210 56.287 0.079 0.000 1.039 588 K CB 1.325 33.929 32.500 0.174 0.000 0.937 588 K HN 0.567 nan 8.250 nan 0.000 0.570 589 S N 1.209 116.987 115.700 0.130 0.000 2.603 589 S HA 0.067 4.537 4.470 0.000 0.000 0.268 589 S C 1.521 176.250 174.600 0.216 0.000 1.317 589 S CA 0.122 58.494 58.200 0.287 0.000 1.012 589 S CB 1.015 64.460 63.200 0.408 0.000 0.926 589 S HN 0.363 nan 8.310 nan 0.000 0.539 590 S N 2.943 118.799 115.700 0.259 0.000 2.399 590 S HA -0.064 4.406 4.470 0.000 0.000 0.231 590 S C 0.494 175.181 174.600 0.144 0.000 1.022 590 S CA 0.581 58.869 58.200 0.147 0.000 0.983 590 S CB -0.395 62.847 63.200 0.069 0.000 0.803 590 S HN 0.647 nan 8.310 nan 0.000 0.480 591 I N 1.313 122.010 120.570 0.211 0.000 2.436 591 I HA 0.748 4.918 4.170 0.000 0.000 0.289 591 I C 0.441 176.591 176.117 0.055 0.000 1.010 591 I CA -0.778 60.545 61.300 0.039 0.000 1.098 591 I CB 1.283 39.209 38.000 -0.125 0.000 1.266 591 I HN 0.138 nan 8.210 nan 0.000 0.434 592 G N 4.678 113.490 108.800 0.020 0.000 3.075 592 G HA2 0.144 4.104 3.960 0.000 0.000 0.156 592 G HA3 0.144 4.104 3.960 0.000 0.000 0.156 592 G C 0.519 175.471 174.900 0.085 0.000 1.403 592 G CA -0.148 44.992 45.100 0.067 0.000 1.033 592 G HN 0.558 nan 8.290 nan 0.000 0.589 593 N N 0.670 119.428 118.700 0.097 0.000 2.309 593 N HA -0.123 4.617 4.740 0.000 0.000 0.182 593 N C 2.489 178.124 175.510 0.208 0.000 1.018 593 N CA 1.450 54.621 53.050 0.200 0.000 0.876 593 N CB -0.190 38.468 38.487 0.285 0.000 0.972 593 N HN 0.414 nan 8.380 nan 0.000 0.434 594 S N 0.551 116.318 115.700 0.112 0.000 2.402 594 S HA -0.065 4.405 4.470 0.000 0.000 0.229 594 S C 1.904 176.560 174.600 0.093 0.000 1.021 594 S CA 0.405 58.659 58.200 0.090 0.000 0.974 594 S CB -0.418 62.807 63.200 0.042 0.000 0.800 594 S HN 0.171 nan 8.310 nan 0.000 0.484 595 L N 1.423 122.652 121.223 0.010 0.000 2.141 595 L HA 0.209 4.549 4.340 0.000 0.000 0.209 595 L C 2.133 179.106 176.870 0.172 0.000 1.094 595 L CA 1.275 56.084 54.840 -0.053 0.000 0.763 595 L CB -0.631 41.120 42.059 -0.512 0.000 0.908 595 L HN 0.372 nan 8.230 nan 0.000 0.437 596 I N -0.918 119.796 120.570 0.240 0.000 2.179 596 I HA -0.313 3.857 4.170 0.000 0.000 0.242 596 I C 2.722 179.097 176.117 0.430 0.000 1.088 596 I CA 1.314 62.855 61.300 0.402 0.000 1.357 596 I CB -0.386 37.854 38.000 0.401 0.000 1.051 596 I HN 0.272 nan 8.210 nan 0.000 0.409 597 R N 0.408 121.171 120.500 0.439 0.000 2.081 597 R HA -0.163 4.177 4.340 0.000 0.000 0.235 597 R C 2.289 178.748 176.300 0.264 0.000 1.131 597 R CA 2.071 58.419 56.100 0.413 0.000 0.960 597 R CB -0.333 30.159 30.300 0.320 0.000 0.856 597 R HN 0.299 nan 8.270 nan 0.000 0.436 598 T N 0.124 114.806 114.554 0.213 0.000 2.652 598 T HA -0.191 4.159 4.350 0.000 0.000 0.267 598 T C 1.503 176.284 174.700 0.135 0.000 1.039 598 T CA 1.718 63.895 62.100 0.127 0.000 1.153 598 T CB -0.440 68.466 68.868 0.064 0.000 0.863 598 T HN 0.314 nan 8.240 nan 0.000 0.428 599 Y N 0.663 121.034 120.300 0.118 0.000 2.181 599 Y HA -0.022 4.528 4.550 0.000 0.000 0.288 599 Y C 2.562 178.532 175.900 0.116 0.000 1.146 599 Y CA 1.103 59.266 58.100 0.104 0.000 1.164 599 Y CB -0.423 38.172 38.460 0.224 0.000 0.982 599 Y HN 0.141 nan 8.280 nan 0.000 0.515 600 M N -0.103 119.683 119.600 0.310 0.000 2.082 600 M HA -0.272 4.208 4.480 0.000 0.000 0.258 600 M C 2.315 178.724 176.300 0.183 0.000 1.069 600 M CA 1.889 57.312 55.300 0.204 0.000 1.102 600 M CB -0.210 32.422 32.600 0.052 0.000 1.336 600 M HN 0.181 nan 8.290 nan 0.000 0.404 601 E N 0.646 120.923 120.200 0.127 0.000 2.171 601 E HA -0.242 4.108 4.350 0.000 0.000 0.197 601 E C 1.806 178.414 176.600 0.012 0.000 0.997 601 E CA 1.500 57.937 56.400 0.062 0.000 0.810 601 E CB -0.128 29.600 29.700 0.046 0.000 0.738 601 E HN 0.604 nan 8.360 nan 0.000 0.467 602 R N -0.135 120.368 120.500 0.006 0.000 2.148 602 R HA -0.060 4.280 4.340 0.000 0.000 0.227 602 R C 1.387 177.638 176.300 -0.081 0.000 1.103 602 R CA 1.336 57.406 56.100 -0.050 0.000 0.983 602 R CB 0.129 30.377 30.300 -0.087 0.000 0.874 602 R HN 0.127 nan 8.270 nan 0.000 0.451 603 D N -2.243 118.107 120.400 -0.084 0.000 2.480 603 D HA 0.106 4.746 4.640 0.000 0.000 0.243 603 D C -0.590 175.316 176.300 -0.656 0.000 1.120 603 D CA 0.420 54.217 54.000 -0.339 0.000 0.835 603 D CB 0.864 41.438 40.800 -0.376 0.000 1.204 603 D HN -0.002 nan 8.370 nan 0.000 0.513 604 Y N 0.075 120.309 120.300 -0.110 0.000 2.588 604 Y HA 0.423 4.973 4.550 0.000 0.000 0.343 604 Y C 0.021 175.837 175.900 -0.140 0.000 1.065 604 Y CA -0.939 57.076 58.100 -0.142 0.000 1.038 604 Y CB 1.638 40.005 38.460 -0.155 0.000 1.297 604 Y HN -0.324 nan 8.280 nan 0.000 0.467 605 I N 3.502 124.047 120.570 -0.041 0.000 2.471 605 I HA 0.122 4.292 4.170 0.000 0.000 0.286 605 I C -0.214 175.921 176.117 0.031 0.000 1.079 605 I CA 0.102 61.343 61.300 -0.098 0.000 1.398 605 I CB 0.320 38.089 38.000 -0.385 0.000 1.403 605 I HN 0.366 nan 8.210 nan 0.000 0.530 606 I N 8.947 129.554 120.570 0.061 0.000 2.505 606 I HA 0.098 4.268 4.170 0.000 0.000 0.287 606 I C -1.896 174.307 176.117 0.143 0.000 1.104 606 I CA -1.385 59.987 61.300 0.120 0.000 1.387 606 I CB -0.034 38.062 38.000 0.160 0.000 1.404 606 I HN 0.313 nan 8.210 nan 0.000 0.528 607 P HA 0.126 nan 4.420 nan 0.000 0.274 607 P C 0.372 177.764 177.300 0.153 0.000 1.237 607 P CA -0.402 62.793 63.100 0.159 0.000 0.793 607 P CB 0.821 32.602 31.700 0.134 0.000 0.977 608 E N -0.093 120.179 120.200 0.119 0.000 2.046 608 E HA -0.043 4.307 4.350 0.000 0.000 0.190 608 E C 0.678 177.331 176.600 0.089 0.000 0.982 608 E CA 1.049 57.505 56.400 0.092 0.000 0.800 608 E CB -0.597 29.151 29.700 0.080 0.000 0.756 608 E HN 0.558 nan 8.360 nan 0.000 0.449 609 S N 0.069 115.828 115.700 0.098 0.000 2.565 609 S HA 0.132 4.602 4.470 0.000 0.000 0.274 609 S C 0.920 175.603 174.600 0.139 0.000 1.309 609 S CA -0.739 57.530 58.200 0.116 0.000 1.043 609 S CB 0.950 64.210 63.200 0.100 0.000 0.939 609 S HN 0.099 nan 8.310 nan 0.000 0.504 610 F N 2.498 122.448 119.950 -0.000 0.000 2.087 610 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 610 F C 2.067 177.849 175.800 -0.029 0.000 1.100 610 F CA 2.371 60.338 58.000 -0.056 0.000 1.226 610 F CB -0.570 38.381 39.000 -0.081 0.000 0.983 610 F HN 0.745 nan 8.300 nan 0.000 0.479 611 E N 0.298 120.550 120.200 0.086 0.000 2.058 611 E HA -0.222 4.128 4.350 0.000 0.000 0.194 611 E C 1.915 178.504 176.600 -0.019 0.000 0.997 611 E CA 1.760 58.156 56.400 -0.006 0.000 0.801 611 E CB -0.464 29.278 29.700 0.071 0.000 0.746 611 E HN 0.435 nan 8.360 nan 0.000 0.450 612 D N -0.486 119.936 120.400 0.037 0.000 2.117 612 D HA -0.128 4.512 4.640 0.000 0.000 0.198 612 D C 1.656 177.967 176.300 0.018 0.000 0.982 612 D CA 0.561 54.614 54.000 0.088 0.000 0.828 612 D CB -0.370 40.486 40.800 0.093 0.000 0.967 612 D HN 0.115 nan 8.370 nan 0.000 0.464 613 F N 1.382 121.220 119.950 -0.188 0.000 2.091 613 F HA -0.256 4.271 4.527 0.000 0.000 0.299 613 F C 2.205 177.764 175.800 -0.402 0.000 1.103 613 F CA 1.181 59.005 58.000 -0.293 0.000 1.228 613 F CB -0.181 38.610 39.000 -0.349 0.000 0.984 613 F HN -0.205 nan 8.300 nan 0.000 0.477 614 V N -0.264 119.429 119.914 -0.369 0.000 2.343 614 V HA -0.319 3.802 4.120 0.000 0.000 0.247 614 V C 2.062 177.997 176.094 -0.266 0.000 1.051 614 V CA 2.146 64.202 62.300 -0.406 0.000 1.036 614 V CB -1.157 30.381 31.823 -0.476 0.000 0.654 614 V HN 0.606 nan 8.190 nan 0.000 0.451 615 Y N 0.890 121.043 120.300 -0.245 0.000 2.145 615 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 615 Y C 2.283 178.017 175.900 -0.277 0.000 1.145 615 Y CA 1.947 59.940 58.100 -0.177 0.000 1.148 615 Y CB -0.639 37.800 38.460 -0.033 0.000 0.981 615 Y HN 0.049 nan 8.280 nan 0.000 0.507 616 V N 0.614 120.044 119.914 -0.807 0.000 2.453 616 V HA -0.175 3.945 4.120 0.000 0.000 0.247 616 V C 2.665 178.225 176.094 -0.889 0.000 1.048 616 V CA 1.761 63.445 62.300 -1.028 0.000 1.049 616 V CB -1.512 29.852 31.823 -0.765 0.000 0.672 616 V HN 0.641 nan 8.190 nan 0.000 0.457 617 G N -0.052 108.291 108.800 -0.762 0.000 2.442 617 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 617 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 617 G C 1.583 176.222 174.900 -0.435 0.000 1.141 617 G CA 0.901 45.659 45.100 -0.571 0.000 0.763 617 G HN 0.470 nan 8.290 nan 0.000 0.554 618 L N 0.130 121.068 121.223 -0.475 0.000 2.017 618 L HA -0.088 4.252 4.340 0.000 0.000 0.208 618 L C 2.999 179.492 176.870 -0.628 0.000 1.073 618 L CA 0.530 55.051 54.840 -0.531 0.000 0.745 618 L CB -0.547 41.149 42.059 -0.605 0.000 0.894 618 L HN 0.084 nan 8.230 nan 0.000 0.432 619 V N -0.011 119.510 119.914 -0.656 0.000 2.332 619 V HA -0.298 3.822 4.120 0.000 0.000 0.248 619 V C 2.386 178.173 176.094 -0.512 0.000 1.055 619 V CA 1.842 63.796 62.300 -0.577 0.000 1.038 619 V CB -0.465 30.980 31.823 -0.631 0.000 0.651 619 V HN 0.351 nan 8.190 nan 0.000 0.450 620 L N 0.087 120.957 121.223 -0.588 0.000 1.994 620 L HA -0.215 4.125 4.340 0.000 0.000 0.208 620 L C 2.513 179.146 176.870 -0.396 0.000 1.071 620 L CA 2.378 56.974 54.840 -0.408 0.000 0.745 620 L CB -0.904 40.944 42.059 -0.351 0.000 0.892 620 L HN 0.389 nan 8.230 nan 0.000 0.431 621 Q N -0.671 118.955 119.800 -0.290 0.000 2.096 621 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 621 Q C 2.021 177.782 176.000 -0.398 0.000 0.982 621 Q CA 1.845 57.529 55.803 -0.198 0.000 0.850 621 Q CB -0.502 28.204 28.738 -0.053 0.000 0.901 621 Q HN 0.679 nan 8.270 nan 0.000 0.422 622 G N 0.557 109.096 108.800 -0.434 0.000 2.433 622 G HA2 -0.275 3.685 3.960 0.000 0.000 0.216 622 G HA3 -0.275 3.685 3.960 0.000 0.000 0.216 622 G C 1.387 176.042 174.900 -0.408 0.000 1.186 622 G CA 0.662 45.503 45.100 -0.431 0.000 0.779 622 G HN 0.309 nan 8.290 nan 0.000 0.543 623 Q N 0.371 119.937 119.800 -0.390 0.000 2.079 623 Q HA -0.039 4.301 4.340 0.000 0.000 0.200 623 Q C 2.847 178.545 176.000 -0.504 0.000 0.974 623 Q CA 1.434 57.033 55.803 -0.340 0.000 0.840 623 Q CB -0.811 27.787 28.738 -0.232 0.000 0.898 623 Q HN 0.447 nan 8.270 nan 0.000 0.430 624 G N 0.655 108.910 108.800 -0.907 0.000 2.404 624 G HA2 -0.207 3.753 3.960 0.000 0.000 0.215 624 G HA3 -0.207 3.753 3.960 0.000 0.000 0.215 624 G C 1.465 175.773 174.900 -0.986 0.000 1.174 624 G CA 0.565 44.565 45.100 -1.833 0.000 0.780 624 G HN 0.155 nan 8.290 nan 0.000 0.537 625 M N 1.097 120.294 119.600 -0.672 0.000 2.175 625 M HA -0.009 4.471 4.480 0.000 0.000 0.264 625 M C 2.617 178.788 176.300 -0.216 0.000 1.063 625 M CA 1.377 56.490 55.300 -0.311 0.000 1.119 625 M CB -0.694 31.645 32.600 -0.434 0.000 1.377 625 M HN 0.393 nan 8.290 nan 0.000 0.415 626 R N -1.102 119.217 120.500 -0.301 0.000 2.148 626 R HA -0.137 4.203 4.340 0.000 0.000 0.227 626 R C 1.896 178.100 176.300 -0.160 0.000 1.103 626 R CA 1.687 57.638 56.100 -0.248 0.000 0.983 626 R CB -1.430 28.717 30.300 -0.255 0.000 0.874 626 R HN 0.330 nan 8.270 nan 0.000 0.451 627 H N 0.117 119.049 119.070 -0.229 0.000 2.387 627 H HA 0.029 4.585 4.556 0.000 0.000 0.299 627 H C 1.964 177.186 175.328 -0.178 0.000 1.099 627 H CA 2.160 58.106 56.048 -0.169 0.000 1.315 627 H CB -0.429 29.244 29.762 -0.149 0.000 1.380 627 H HN 0.411 nan 8.280 nan 0.000 0.513 628 G N -0.116 108.618 108.800 -0.111 0.000 2.396 628 G HA2 -0.144 3.816 3.960 0.000 0.000 0.214 628 G HA3 -0.144 3.816 3.960 0.000 0.000 0.214 628 G C 1.726 176.204 174.900 -0.703 0.000 1.166 628 G CA 0.605 45.477 45.100 -0.381 0.000 0.793 628 G HN 0.386 nan 8.290 nan 0.000 0.533 629 L N 0.298 121.400 121.223 -0.203 0.000 2.043 629 L HA -0.139 4.201 4.340 0.000 0.000 0.212 629 L C 2.898 179.688 176.870 -0.133 0.000 1.075 629 L CA 1.526 56.331 54.840 -0.057 0.000 0.752 629 L CB -0.459 41.559 42.059 -0.069 0.000 0.891 629 L HN 0.309 nan 8.230 nan 0.000 0.432 630 E N 0.044 120.111 120.200 -0.223 0.000 2.051 630 E HA -0.211 4.140 4.350 0.000 0.000 0.192 630 E C 2.335 178.764 176.600 -0.285 0.000 0.991 630 E CA 1.110 57.377 56.400 -0.222 0.000 0.799 630 E CB -0.211 29.352 29.700 -0.227 0.000 0.748 630 E HN 0.504 nan 8.360 nan 0.000 0.449 631 A N 1.111 123.683 122.820 -0.413 0.000 1.940 631 A HA -0.251 4.069 4.320 0.000 0.000 0.219 631 A C 1.717 179.205 177.584 -0.160 0.000 1.176 631 A CA 1.785 53.609 52.037 -0.354 0.000 0.631 631 A CB -0.931 17.827 19.000 -0.403 0.000 0.814 631 A HN 0.346 nan 8.150 nan 0.000 0.446 632 H N -1.135 117.874 119.070 -0.103 0.000 2.326 632 H HA -0.051 4.505 4.556 -0.000 0.000 0.301 632 H C 2.518 177.911 175.328 0.109 0.000 1.081 632 H CA 1.217 57.292 56.048 0.044 0.000 1.334 632 H CB -0.048 29.762 29.762 0.080 0.000 1.385 632 H HN 0.382 nan 8.280 nan 0.000 0.504 633 R N 0.632 121.127 120.500 -0.009 0.000 2.081 633 R HA -0.125 4.215 4.340 0.000 0.000 0.235 633 R C 2.480 178.609 176.300 -0.285 0.000 1.131 633 R CA 1.170 56.973 56.100 -0.495 0.000 0.960 633 R CB -0.217 29.831 30.300 -0.420 0.000 0.856 633 R HN 0.279 nan 8.270 nan 0.000 0.436 634 R N 0.873 121.244 120.500 -0.215 0.000 2.120 634 R HA -0.069 4.271 4.340 0.000 0.000 0.234 634 R C 0.853 177.044 176.300 -0.182 0.000 1.123 634 R CA 1.318 57.253 56.100 -0.274 0.000 0.975 634 R CB -0.007 30.015 30.300 -0.462 0.000 0.866 634 R HN 0.201 nan 8.270 nan 0.000 0.446 635 N N 1.109 119.769 118.700 -0.066 0.000 2.346 635 N HA -0.036 4.704 4.740 0.000 0.000 0.225 635 N C -0.460 175.155 175.510 0.176 0.000 1.144 635 N CA -0.048 53.032 53.050 0.050 0.000 0.837 635 N CB 0.313 38.846 38.487 0.077 0.000 1.069 635 N HN 0.201 nan 8.380 nan 0.000 0.487 636 R N 2.301 122.885 120.500 0.140 0.000 2.491 636 R HA 0.108 4.448 4.340 0.000 0.000 0.283 636 R C -1.586 174.803 176.300 0.148 0.000 1.072 636 R CA -0.821 55.399 56.100 0.199 0.000 1.048 636 R CB 0.796 31.181 30.300 0.141 0.000 0.983 636 R HN 0.003 nan 8.270 nan 0.000 0.450 637 P HA -0.035 nan 4.420 nan 0.000 0.264 637 P C 0.619 178.009 177.300 0.150 0.000 1.259 637 P CA 0.199 63.374 63.100 0.126 0.000 0.841 637 P CB -0.014 31.712 31.700 0.043 0.000 1.232 638 Y N 1.086 121.443 120.300 0.096 0.000 2.069 638 Y HA -0.204 4.346 4.550 0.000 0.000 0.278 638 Y C 1.231 177.208 175.900 0.129 0.000 1.175 638 Y CA 1.402 59.566 58.100 0.107 0.000 1.134 638 Y CB -0.651 37.867 38.460 0.098 0.000 0.965 638 Y HN 0.026 nan 8.280 nan 0.000 0.498 639 C N 2.057 121.530 119.300 0.287 0.000 2.350 639 C HA 0.371 4.831 4.460 0.000 0.000 0.348 639 C C 0.676 175.796 174.990 0.216 0.000 1.260 639 C CA -0.744 58.393 59.018 0.199 0.000 1.966 639 C CB -0.030 27.872 27.740 0.269 0.000 2.380 639 C HN 0.620 nan 8.230 nan 0.000 0.535 640 M N 4.582 124.183 119.600 0.001 0.000 2.416 640 M HA 0.317 4.797 4.480 0.000 0.000 0.337 640 M C 0.447 176.208 176.300 -0.898 0.000 1.074 640 M CA 0.183 55.389 55.300 -0.156 0.000 0.968 640 M CB 0.032 32.733 32.600 0.168 0.000 1.472 640 M HN 0.983 nan 8.290 nan 0.000 0.539 641 G N -0.380 107.572 108.800 -1.414 0.000 2.387 641 G HA2 0.386 4.346 3.960 0.000 0.000 0.294 641 G HA3 0.386 4.346 3.960 0.000 0.000 0.294 641 G C -1.664 172.436 174.900 -1.333 0.000 1.509 641 G CA -0.363 43.635 45.100 -1.836 0.000 0.806 641 G HN -0.101 nan 8.290 nan 0.000 0.546 642 T N 0.347 114.447 114.554 -0.758 0.000 3.109 642 T HA 0.575 4.925 4.350 0.000 0.000 0.311 642 T C -1.125 173.560 174.700 -0.025 0.000 1.011 642 T CA -0.446 61.517 62.100 -0.228 0.000 1.026 642 T CB 0.563 69.618 68.868 0.312 0.000 1.047 642 T HN 0.562 nan 8.240 nan 0.000 0.448 643 L N 6.775 128.003 121.223 0.007 0.000 2.318 643 L HA 0.513 4.853 4.340 0.000 0.000 0.277 643 L C -0.103 176.796 176.870 0.049 0.000 1.008 643 L CA -1.322 53.510 54.840 -0.013 0.000 0.846 643 L CB 0.660 42.669 42.059 -0.082 0.000 1.220 643 L HN 0.717 nan 8.230 nan 0.000 0.423 644 Y N 0.580 120.896 120.300 0.026 0.000 2.357 644 Y HA 0.224 4.774 4.550 0.000 0.000 0.340 644 Y C -0.296 175.458 175.900 -0.244 0.000 1.260 644 Y CA -0.768 57.191 58.100 -0.235 0.000 1.425 644 Y CB 0.697 38.871 38.460 -0.477 0.000 1.326 644 Y HN 0.549 nan 8.280 nan 0.000 0.580 645 W N 6.393 127.563 121.300 -0.217 0.000 2.314 645 W HA 0.363 5.023 4.660 0.000 0.000 0.310 645 W C -1.479 175.017 176.519 -0.039 0.000 1.075 645 W CA -0.699 56.530 57.345 -0.194 0.000 1.253 645 W CB 1.335 30.730 29.460 -0.110 0.000 1.238 645 W HN 0.923 nan 8.180 nan 0.000 0.440 646 Q N 3.949 123.496 119.800 -0.422 0.000 2.495 646 Q HA 0.267 4.607 4.340 0.000 0.000 0.287 646 Q C -0.330 175.339 176.000 -0.551 0.000 1.078 646 Q CA -0.866 54.311 55.803 -1.043 0.000 0.793 646 Q CB 1.932 29.598 28.738 -1.788 0.000 1.459 646 Q HN 0.391 nan 8.270 nan 0.000 0.422 647 L N 1.151 121.977 121.223 -0.663 0.000 2.027 647 L HA 0.010 4.350 4.340 0.000 0.000 0.206 647 L C 0.060 176.704 176.870 -0.376 0.000 1.074 647 L CA 2.065 56.651 54.840 -0.422 0.000 0.745 647 L CB -0.288 41.524 42.059 -0.412 0.000 0.898 647 L HN 0.911 nan 8.230 nan 0.000 0.433 648 N N -2.271 116.119 118.700 -0.515 0.000 2.774 648 N HA 0.263 5.003 4.740 0.000 0.000 0.264 648 N C -1.680 173.523 175.510 -0.512 0.000 1.415 648 N CA -0.672 52.105 53.050 -0.454 0.000 0.815 648 N CB 1.230 39.466 38.487 -0.418 0.000 1.514 648 N HN -0.138 nan 8.380 nan 0.000 0.523 649 D N -0.768 119.418 120.400 -0.358 0.000 2.575 649 D HA 0.301 4.941 4.640 0.000 0.000 0.236 649 D C 0.351 176.587 176.300 -0.106 0.000 1.075 649 D CA -0.361 53.475 54.000 -0.273 0.000 0.860 649 D CB 2.183 42.884 40.800 -0.166 0.000 1.475 649 D HN 0.605 nan 8.370 nan 0.000 0.474 650 S N 0.375 116.069 115.700 -0.011 0.000 2.524 650 S HA 0.140 4.610 4.470 0.000 0.000 0.216 650 S C 0.425 175.044 174.600 0.033 0.000 0.987 650 S CA -0.230 58.056 58.200 0.144 0.000 0.909 650 S CB 0.250 63.599 63.200 0.249 0.000 0.781 650 S HN 0.611 nan 8.310 nan 0.000 0.521 651 W N -0.660 120.276 121.300 -0.605 0.000 2.982 651 W HA 0.524 5.184 4.660 -0.000 0.000 0.344 651 W C -3.899 172.107 176.519 -0.855 0.000 1.215 651 W CA -2.523 53.923 57.345 -1.497 0.000 1.182 651 W CB -0.221 28.241 29.460 -1.664 0.000 1.437 651 W HN -0.256 nan 8.180 nan 0.000 0.570 652 P HA 0.346 nan 4.420 nan 0.000 0.276 652 P C -0.489 176.058 177.300 -1.254 0.000 1.253 652 P CA 0.477 63.188 63.100 -0.648 0.000 0.766 652 P CB 1.319 32.959 31.700 -0.099 0.000 0.845 653 V N 4.215 123.578 119.914 -0.919 0.000 3.264 653 V HA 0.268 4.388 4.120 0.000 0.000 0.294 653 V C -1.242 174.535 176.094 -0.529 0.000 1.429 653 V CA -0.922 60.799 62.300 -0.965 0.000 1.053 653 V CB 2.566 33.746 31.823 -1.071 0.000 1.128 653 V HN 0.040 nan 8.190 nan 0.000 0.452 654 V N 4.479 124.085 119.914 -0.513 0.000 2.432 654 V HA 0.761 4.881 4.120 0.000 0.000 0.271 654 V C 0.382 176.158 176.094 -0.530 0.000 1.046 654 V CA 0.856 62.818 62.300 -0.564 0.000 0.945 654 V CB 0.391 31.715 31.823 -0.832 0.000 0.992 654 V HN 1.180 nan 8.190 nan 0.000 0.471 655 S N 3.669 119.046 115.700 -0.538 0.000 2.727 655 S HA 0.439 4.909 4.470 0.000 0.000 0.278 655 S C -0.215 174.026 174.600 -0.599 0.000 1.186 655 S CA -0.824 57.032 58.200 -0.573 0.000 0.836 655 S CB 1.163 64.268 63.200 -0.158 0.000 1.186 655 S HN 0.497 nan 8.310 nan 0.000 0.499 656 W N 2.550 123.683 121.300 -0.279 0.000 3.180 656 W HA 0.195 4.855 4.660 -0.000 0.000 0.254 656 W C 1.186 177.534 176.519 -0.285 0.000 1.318 656 W CA 0.325 57.508 57.345 -0.271 0.000 1.608 656 W CB -0.570 28.891 29.460 0.002 0.000 1.124 656 W HN 0.796 nan 8.180 nan 0.000 0.694 657 S N 0.647 116.260 115.700 -0.145 0.000 2.573 657 S HA 0.024 4.494 4.470 0.000 0.000 0.277 657 S C 1.246 175.733 174.600 -0.188 0.000 1.346 657 S CA 0.304 58.373 58.200 -0.219 0.000 1.034 657 S CB 1.570 64.608 63.200 -0.270 0.000 0.879 657 S HN 0.129 nan 8.310 nan 0.000 0.528 658 S N 1.400 117.014 115.700 -0.144 0.000 2.517 658 S HA 0.323 4.793 4.470 0.000 0.000 0.214 658 S C 0.265 174.744 174.600 -0.201 0.000 0.991 658 S CA -0.418 57.687 58.200 -0.159 0.000 0.906 658 S CB -0.607 62.563 63.200 -0.051 0.000 0.789 658 S HN 0.714 nan 8.310 nan 0.000 0.513 659 I N 3.166 123.592 120.570 -0.239 0.000 2.478 659 I HA 0.338 4.508 4.170 0.000 0.000 0.287 659 I C -0.964 175.055 176.117 -0.164 0.000 1.042 659 I CA -0.987 60.168 61.300 -0.241 0.000 1.067 659 I CB 1.995 39.761 38.000 -0.389 0.000 1.233 659 I HN 0.121 nan 8.210 nan 0.000 0.431 660 D N 4.470 124.829 120.400 -0.068 0.000 2.414 660 D HA -0.080 4.560 4.640 0.000 0.000 0.251 660 D C 1.021 177.296 176.300 -0.042 0.000 1.252 660 D CA -0.078 53.899 54.000 -0.038 0.000 0.999 660 D CB 0.537 41.374 40.800 0.061 0.000 1.093 660 D HN 0.551 nan 8.370 nan 0.000 0.515 661 Y N -0.276 119.908 120.300 -0.194 0.000 2.256 661 Y HA -0.231 4.319 4.550 0.000 0.000 0.288 661 Y C 1.195 176.910 175.900 -0.307 0.000 1.155 661 Y CA 1.497 59.408 58.100 -0.315 0.000 1.203 661 Y CB -0.323 37.853 38.460 -0.473 0.000 0.980 661 Y HN 0.404 nan 8.280 nan 0.000 0.530 662 Y N -0.076 120.193 120.300 -0.052 0.000 2.490 662 Y HA 0.259 4.809 4.550 -0.000 0.000 0.281 662 Y C 1.895 177.762 175.900 -0.054 0.000 1.174 662 Y CA 0.411 58.465 58.100 -0.076 0.000 1.295 662 Y CB -0.035 38.474 38.460 0.081 0.000 1.062 662 Y HN 0.235 nan 8.280 nan 0.000 0.522 663 G N -0.073 108.745 108.800 0.031 0.000 2.141 663 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 663 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 663 G C -0.185 174.812 174.900 0.161 0.000 0.982 663 G CA -0.330 44.797 45.100 0.044 0.000 0.662 663 G HN 0.289 nan 8.290 nan 0.000 0.527 664 N N 0.346 119.162 118.700 0.194 0.000 2.458 664 N HA 0.280 5.020 4.740 0.000 0.000 0.270 664 N C -0.025 175.670 175.510 0.307 0.000 1.102 664 N CA -0.022 53.192 53.050 0.272 0.000 0.967 664 N CB 0.462 39.112 38.487 0.271 0.000 1.078 664 N HN 0.217 nan 8.380 nan 0.000 0.471 665 W N 2.483 123.803 121.300 0.034 0.000 2.308 665 W HA 0.160 4.819 4.660 -0.000 0.000 0.324 665 W C 1.106 177.669 176.519 0.073 0.000 1.387 665 W CA -0.311 56.991 57.345 -0.072 0.000 1.250 665 W CB -0.021 29.260 29.460 -0.297 0.000 1.257 665 W HN 0.205 nan 8.180 nan 0.000 0.554 666 K N 2.123 122.581 120.400 0.096 0.000 2.118 666 K HA 0.388 4.708 4.320 0.000 0.000 0.240 666 K C 1.290 177.744 176.600 -0.244 0.000 1.035 666 K CA -0.055 56.154 56.287 -0.130 0.000 0.899 666 K CB 0.565 32.918 32.500 -0.245 0.000 1.085 666 K HN 0.445 nan 8.250 nan 0.000 0.498 667 A N 1.125 123.341 122.820 -1.006 0.000 1.948 667 A HA -0.203 4.117 4.320 0.000 0.000 0.220 667 A C 2.005 179.369 177.584 -0.366 0.000 1.177 667 A CA 1.686 53.102 52.037 -1.034 0.000 0.636 667 A CB -0.591 17.524 19.000 -1.475 0.000 0.815 667 A HN 0.646 nan 8.150 nan 0.000 0.449 668 L N -0.926 120.044 121.223 -0.421 0.000 2.043 668 L HA -0.212 4.128 4.340 0.000 0.000 0.212 668 L C 2.231 178.853 176.870 -0.414 0.000 1.075 668 L CA 2.849 57.431 54.840 -0.429 0.000 0.752 668 L CB -0.925 40.843 42.059 -0.485 0.000 0.891 668 L HN 0.594 nan 8.230 nan 0.000 0.432 669 H N -2.019 116.803 119.070 -0.413 0.000 2.357 669 H HA -0.161 4.395 4.556 -0.000 0.000 0.301 669 H C 1.940 177.003 175.328 -0.441 0.000 1.082 669 H CA 2.342 58.037 56.048 -0.587 0.000 1.342 669 H CB -0.220 28.951 29.762 -0.985 0.000 1.389 669 H HN 0.463 nan 8.280 nan 0.000 0.511 670 Y N 0.185 120.532 120.300 0.079 0.000 2.207 670 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 670 Y C 2.581 178.455 175.900 -0.044 0.000 1.156 670 Y CA 1.183 59.400 58.100 0.195 0.000 1.182 670 Y CB -0.171 38.469 38.460 0.301 0.000 0.979 670 Y HN 0.278 nan 8.280 nan 0.000 0.521 671 Q N -0.286 119.497 119.800 -0.028 0.000 2.167 671 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 671 Q C 2.557 178.356 176.000 -0.335 0.000 0.970 671 Q CA 1.241 56.943 55.803 -0.169 0.000 0.855 671 Q CB -0.553 28.036 28.738 -0.250 0.000 0.911 671 Q HN 0.548 nan 8.270 nan 0.000 0.438 672 A N 1.434 123.945 122.820 -0.516 0.000 1.897 672 A HA -0.180 4.140 4.320 0.000 0.000 0.215 672 A C 2.143 179.371 177.584 -0.594 0.000 1.181 672 A CA 1.590 53.153 52.037 -0.790 0.000 0.620 672 A CB -0.407 18.089 19.000 -0.839 0.000 0.821 672 A HN 0.298 nan 8.150 nan 0.000 0.443 673 K N -0.114 120.071 120.400 -0.358 0.000 2.044 673 K HA -0.236 4.084 4.320 0.000 0.000 0.210 673 K C 2.220 178.808 176.600 -0.020 0.000 1.049 673 K CA 1.918 58.148 56.287 -0.094 0.000 0.927 673 K CB -0.203 32.330 32.500 0.054 0.000 0.713 673 K HN 0.469 nan 8.250 nan 0.000 0.443 674 R N -0.250 120.225 120.500 -0.043 0.000 2.066 674 R HA -0.056 4.284 4.340 0.000 0.000 0.232 674 R C 2.409 178.681 176.300 -0.046 0.000 1.131 674 R CA 1.283 57.375 56.100 -0.014 0.000 0.955 674 R CB -0.361 29.938 30.300 -0.001 0.000 0.851 674 R HN 0.264 nan 8.270 nan 0.000 0.432 675 A N 0.313 123.037 122.820 -0.161 0.000 2.066 675 A HA -0.064 4.256 4.320 0.000 0.000 0.218 675 A C 1.246 178.855 177.584 0.042 0.000 1.157 675 A CA 0.920 52.866 52.037 -0.152 0.000 0.670 675 A CB -0.172 18.639 19.000 -0.314 0.000 0.804 675 A HN 0.181 nan 8.150 nan 0.000 0.453 676 F N -0.198 119.727 119.950 -0.042 0.000 2.727 676 F HA 0.440 4.967 4.527 0.000 0.000 0.302 676 F C 1.480 177.266 175.800 -0.023 0.000 1.097 676 F CA -0.893 57.088 58.000 -0.031 0.000 1.330 676 F CB -1.002 37.979 39.000 -0.032 0.000 1.084 676 F HN 0.166 nan 8.300 nan 0.000 0.578 677 A N 1.618 124.533 122.820 0.158 0.000 2.565 677 A HA 0.108 4.428 4.320 0.000 0.000 0.237 677 A C -1.185 176.446 177.584 0.079 0.000 1.053 677 A CA -0.697 51.400 52.037 0.099 0.000 0.755 677 A CB -0.232 18.808 19.000 0.067 0.000 0.980 677 A HN 0.068 nan 8.150 nan 0.000 0.506 678 P HA -0.077 nan 4.420 nan 0.000 0.216 678 P C 0.050 177.386 177.300 0.059 0.000 1.153 678 P CA 1.073 64.215 63.100 0.071 0.000 0.858 678 P CB 0.027 31.778 31.700 0.085 0.000 0.789 679 V N 0.660 120.605 119.914 0.051 0.000 2.384 679 V HA 0.352 4.472 4.120 0.000 0.000 0.287 679 V C -0.289 175.821 176.094 0.027 0.000 1.020 679 V CA -0.673 61.649 62.300 0.037 0.000 0.850 679 V CB 1.501 33.344 31.823 0.034 0.000 0.987 679 V HN -0.153 nan 8.190 nan 0.000 0.436 680 L N 6.991 128.226 121.223 0.019 0.000 2.381 680 L HA 0.661 5.001 4.340 0.000 0.000 0.274 680 L C -0.583 176.298 176.870 0.017 0.000 0.988 680 L CA -0.051 54.797 54.840 0.014 0.000 0.824 680 L CB 1.647 43.708 42.059 0.003 0.000 1.263 680 L HN 0.556 nan 8.230 nan 0.000 0.410 681 I N 4.760 125.340 120.570 0.017 0.000 2.352 681 I HA 0.292 4.462 4.170 0.000 0.000 0.290 681 I C 0.187 176.322 176.117 0.030 0.000 1.036 681 I CA 0.020 61.335 61.300 0.025 0.000 1.336 681 I CB 0.701 38.708 38.000 0.012 0.000 1.407 681 I HN 0.651 nan 8.210 nan 0.000 0.497 682 N N 8.509 127.241 118.700 0.054 0.000 2.696 682 N HA 0.348 5.088 4.740 0.000 0.000 0.246 682 N C -2.737 172.821 175.510 0.081 0.000 1.057 682 N CA -1.615 51.461 53.050 0.042 0.000 0.867 682 N CB 1.538 40.025 38.487 -0.000 0.000 1.141 682 N HN 0.212 nan 8.380 nan 0.000 0.517 683 P HA 0.183 nan 4.420 nan 0.000 0.276 683 P C -0.787 176.496 177.300 -0.028 0.000 1.243 683 P CA -0.263 62.812 63.100 -0.040 0.000 0.768 683 P CB 0.971 32.551 31.700 -0.201 0.000 0.856 684 I N 2.121 122.704 120.570 0.022 0.000 2.466 684 I HA 0.342 4.512 4.170 0.000 0.000 0.289 684 I C -0.880 175.295 176.117 0.098 0.000 1.026 684 I CA -0.779 60.566 61.300 0.074 0.000 1.078 684 I CB 1.839 39.864 38.000 0.041 0.000 1.249 684 I HN 0.239 nan 8.210 nan 0.000 0.429 685 Q N 6.826 126.729 119.800 0.171 0.000 2.322 685 Q HA 0.608 4.948 4.340 0.000 0.000 0.265 685 Q C -1.675 174.437 176.000 0.185 0.000 0.985 685 Q CA -0.552 55.373 55.803 0.204 0.000 0.849 685 Q CB 1.267 30.210 28.738 0.342 0.000 1.274 685 Q HN 0.735 nan 8.270 nan 0.000 0.449 686 Q N 2.693 122.584 119.800 0.151 0.000 2.340 686 Q HA 0.286 4.626 4.340 0.000 0.000 0.276 686 Q C -1.036 175.025 176.000 0.101 0.000 1.048 686 Q CA -0.838 55.037 55.803 0.119 0.000 0.832 686 Q CB 1.799 30.599 28.738 0.104 0.000 1.373 686 Q HN 0.890 nan 8.270 nan 0.000 0.409 687 N N 1.627 120.376 118.700 0.083 0.000 2.714 687 N HA -0.243 4.497 4.740 0.000 0.000 0.252 687 N C -0.950 174.604 175.510 0.072 0.000 1.014 687 N CA 0.846 53.936 53.050 0.067 0.000 0.735 687 N CB -0.734 37.788 38.487 0.057 0.000 0.924 687 N HN 0.891 nan 8.380 nan 0.000 0.540 688 D N -1.447 119.004 120.400 0.086 0.000 2.911 688 D HA -0.201 4.439 4.640 0.000 0.000 0.227 688 D C -0.881 175.486 176.300 0.111 0.000 1.164 688 D CA 1.719 55.773 54.000 0.090 0.000 0.782 688 D CB -0.762 40.072 40.800 0.058 0.000 1.094 688 D HN 0.504 nan 8.370 nan 0.000 0.425 689 S N -0.934 114.844 115.700 0.130 0.000 2.548 689 S HA 0.705 5.175 4.470 0.000 0.000 0.286 689 S C -1.369 173.340 174.600 0.181 0.000 1.098 689 S CA -0.940 57.346 58.200 0.144 0.000 0.930 689 S CB 1.351 64.606 63.200 0.092 0.000 1.070 689 S HN 0.260 nan 8.310 nan 0.000 0.480 690 L N 3.485 124.844 121.223 0.226 0.000 2.307 690 L HA 0.755 5.095 4.340 0.000 0.000 0.284 690 L C -0.562 176.407 176.870 0.164 0.000 1.023 690 L CA 0.336 55.313 54.840 0.229 0.000 0.810 690 L CB 1.674 43.970 42.059 0.394 0.000 1.231 690 L HN 0.624 nan 8.230 nan 0.000 0.423 691 S N 3.050 118.838 115.700 0.147 0.000 2.536 691 S HA 0.794 5.264 4.470 0.000 0.000 0.298 691 S C -1.131 173.571 174.600 0.170 0.000 1.083 691 S CA -0.589 57.691 58.200 0.133 0.000 0.995 691 S CB 2.055 65.360 63.200 0.176 0.000 1.058 691 S HN 0.399 nan 8.310 nan 0.000 0.488 692 V N 3.175 123.162 119.914 0.122 0.000 2.487 692 V HA 0.462 4.582 4.120 0.000 0.000 0.298 692 V C -1.464 174.644 176.094 0.024 0.000 1.028 692 V CA -0.594 61.777 62.300 0.118 0.000 0.860 692 V CB 0.867 32.744 31.823 0.090 0.000 0.991 692 V HN 0.863 nan 8.190 nan 0.000 0.427 693 Y N 4.316 124.621 120.300 0.008 0.000 2.409 693 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 693 Y C 0.036 175.931 175.900 -0.010 0.000 1.033 693 Y CA -0.841 57.258 58.100 -0.001 0.000 1.094 693 Y CB 1.925 40.376 38.460 -0.015 0.000 1.210 693 Y HN 0.412 nan 8.280 nan 0.000 0.456 694 L N 5.262 126.558 121.223 0.122 0.000 2.296 694 L HA 0.554 4.894 4.340 0.000 0.000 0.286 694 L C -0.839 176.078 176.870 0.079 0.000 1.023 694 L CA -0.486 54.397 54.840 0.071 0.000 0.812 694 L CB 1.148 43.225 42.059 0.031 0.000 1.223 694 L HN 0.525 nan 8.230 nan 0.000 0.421 695 I N 2.373 122.973 120.570 0.049 0.000 2.436 695 I HA 0.367 4.537 4.170 0.000 0.000 0.289 695 I C -0.225 175.898 176.117 0.011 0.000 1.010 695 I CA -0.208 61.102 61.300 0.016 0.000 1.098 695 I CB 2.139 40.120 38.000 -0.033 0.000 1.266 695 I HN 0.508 nan 8.210 nan 0.000 0.434 696 S N 3.708 119.419 115.700 0.018 0.000 2.557 696 S HA 0.393 4.864 4.470 0.000 0.000 0.291 696 S C -0.501 174.139 174.600 0.066 0.000 1.116 696 S CA -0.615 57.610 58.200 0.042 0.000 0.992 696 S CB 1.383 64.612 63.200 0.049 0.000 1.028 696 S HN 0.573 nan 8.310 nan 0.000 0.484 697 D N 2.800 123.259 120.400 0.100 0.000 2.424 697 D HA 0.222 4.862 4.640 0.000 0.000 0.220 697 D C 0.323 176.820 176.300 0.328 0.000 1.150 697 D CA -0.001 54.121 54.000 0.203 0.000 0.831 697 D CB 0.383 41.271 40.800 0.146 0.000 0.981 697 D HN 0.454 nan 8.370 nan 0.000 0.500 698 R N 0.155 120.771 120.500 0.193 0.000 2.641 698 R HA 0.299 4.639 4.340 0.000 0.000 0.269 698 R C 1.445 177.771 176.300 0.044 0.000 1.074 698 R CA -0.268 55.919 56.100 0.146 0.000 1.133 698 R CB 1.225 31.573 30.300 0.080 0.000 1.029 698 R HN -0.010 nan 8.270 nan 0.000 0.488 699 L N 0.838 121.998 121.223 -0.105 0.000 2.418 699 L HA -0.010 4.330 4.340 0.000 0.000 0.218 699 L C 0.509 177.300 176.870 -0.131 0.000 1.125 699 L CA 0.435 55.122 54.840 -0.255 0.000 0.835 699 L CB -0.339 41.456 42.059 -0.440 0.000 0.953 699 L HN 0.684 nan 8.230 nan 0.000 0.454 700 D N -0.820 119.541 120.400 -0.066 0.000 2.163 700 D HA 0.143 4.783 4.640 0.000 0.000 0.248 700 D C -0.211 176.082 176.300 -0.011 0.000 1.035 700 D CA -0.366 53.612 54.000 -0.036 0.000 0.872 700 D CB 1.393 42.181 40.800 -0.021 0.000 1.183 700 D HN -0.258 nan 8.370 nan 0.000 0.445 701 T N 1.533 116.082 114.554 -0.008 0.000 2.913 701 T HA 0.288 4.638 4.350 0.000 0.000 0.297 701 T C 0.428 175.135 174.700 0.011 0.000 1.029 701 T CA -0.264 61.839 62.100 0.005 0.000 1.104 701 T CB 0.581 69.451 68.868 0.003 0.000 0.964 701 T HN 0.280 nan 8.240 nan 0.000 0.532 702 M N 2.490 122.100 119.600 0.018 0.000 2.364 702 M HA 0.422 4.902 4.480 0.000 0.000 0.334 702 M C -0.053 176.259 176.300 0.020 0.000 1.107 702 M CA -0.496 54.818 55.300 0.022 0.000 0.988 702 M CB 1.836 34.452 32.600 0.028 0.000 1.673 702 M HN 0.562 nan 8.290 nan 0.000 0.441 703 E N 1.142 121.355 120.200 0.021 0.000 2.312 703 E HA 0.324 4.674 4.350 0.000 0.000 0.267 703 E C -1.030 175.585 176.600 0.026 0.000 0.894 703 E CA -0.730 55.682 56.400 0.020 0.000 0.773 703 E CB 1.784 31.494 29.700 0.016 0.000 1.241 703 E HN 0.566 nan 8.360 nan 0.000 0.432 704 Q N 1.185 121.001 119.800 0.027 0.000 2.452 704 Q HA -0.208 4.132 4.340 0.000 0.000 0.318 704 Q C -0.509 175.519 176.000 0.046 0.000 1.386 704 Q CA 0.414 56.239 55.803 0.036 0.000 0.872 704 Q CB -0.995 27.761 28.738 0.030 0.000 1.151 704 Q HN 0.384 nan 8.270 nan 0.000 0.417 705 M N 0.053 119.676 119.600 0.039 0.000 2.342 705 M HA 0.363 4.843 4.480 0.000 0.000 0.332 705 M C 0.572 176.891 176.300 0.033 0.000 1.166 705 M CA 0.107 55.426 55.300 0.033 0.000 1.086 705 M CB 1.262 33.871 32.600 0.016 0.000 1.541 705 M HN -0.034 nan 8.290 nan 0.000 0.462 706 T N 2.785 117.348 114.554 0.015 0.000 2.792 706 T HA 0.557 4.907 4.350 0.000 0.000 0.280 706 T C -0.857 173.784 174.700 -0.099 0.000 0.990 706 T CA -0.552 61.518 62.100 -0.051 0.000 0.960 706 T CB 1.417 70.280 68.868 -0.007 0.000 0.939 706 T HN 0.482 nan 8.240 nan 0.000 0.439 707 L N 3.643 124.776 121.223 -0.150 0.000 2.275 707 L HA 0.572 4.912 4.340 0.000 0.000 0.288 707 L C -0.055 176.692 176.870 -0.204 0.000 1.046 707 L CA -0.120 54.630 54.840 -0.150 0.000 0.805 707 L CB 0.801 42.774 42.059 -0.143 0.000 1.193 707 L HN 0.649 nan 8.230 nan 0.000 0.426 708 E N 5.686 125.792 120.200 -0.156 0.000 2.199 708 E HA 0.541 4.891 4.350 0.000 0.000 0.265 708 E C -1.548 174.983 176.600 -0.115 0.000 0.882 708 E CA -0.624 55.688 56.400 -0.148 0.000 0.759 708 E CB 1.286 30.926 29.700 -0.100 0.000 1.148 708 E HN 0.714 nan 8.360 nan 0.000 0.412 709 M N 3.996 123.520 119.600 -0.128 0.000 2.395 709 M HA 0.411 4.891 4.480 0.000 0.000 0.307 709 M C -1.020 175.274 176.300 -0.010 0.000 1.091 709 M CA -0.784 54.474 55.300 -0.069 0.000 0.919 709 M CB 2.273 34.802 32.600 -0.119 0.000 1.662 709 M HN 0.364 nan 8.290 nan 0.000 0.440 710 K N 0.958 121.378 120.400 0.035 0.000 2.502 710 K HA 0.748 5.068 4.320 0.000 0.000 0.257 710 K C -1.572 175.057 176.600 0.048 0.000 0.938 710 K CA -0.982 55.334 56.287 0.049 0.000 0.819 710 K CB 1.940 34.445 32.500 0.009 0.000 1.333 710 K HN 0.423 nan 8.250 nan 0.000 0.434 711 V N 2.458 122.411 119.914 0.066 0.000 2.461 711 V HA 0.279 4.399 4.120 0.000 0.000 0.275 711 V C -0.455 175.522 176.094 -0.194 0.000 1.047 711 V CA -0.574 61.705 62.300 -0.035 0.000 0.955 711 V CB 1.127 32.948 31.823 -0.003 0.000 0.988 711 V HN 0.564 nan 8.190 nan 0.000 0.471 712 V N 4.514 124.153 119.914 -0.458 0.000 2.588 712 V HA 0.386 4.506 4.120 0.000 0.000 0.304 712 V C -0.340 175.406 176.094 -0.580 0.000 1.042 712 V CA -0.956 61.010 62.300 -0.558 0.000 0.877 712 V CB 2.095 33.454 31.823 -0.773 0.000 0.996 712 V HN 1.043 nan 8.190 nan 0.000 0.425 713 D N 2.883 123.115 120.400 -0.278 0.000 2.377 713 D HA 0.136 4.776 4.640 0.000 0.000 0.245 713 D C 0.691 177.057 176.300 0.110 0.000 1.196 713 D CA -0.501 53.389 54.000 -0.183 0.000 0.962 713 D CB 0.480 41.190 40.800 -0.150 0.000 1.127 713 D HN 0.243 nan 8.370 nan 0.000 0.471 714 F N -0.581 119.422 119.950 0.088 0.000 2.664 714 F HA -0.012 4.515 4.527 0.000 0.000 0.297 714 F C 1.391 177.260 175.800 0.115 0.000 1.164 714 F CA 0.302 58.411 58.000 0.182 0.000 1.472 714 F CB -0.646 38.458 39.000 0.175 0.000 1.108 714 F HN 0.348 nan 8.300 nan 0.000 0.596 715 D N -1.046 119.490 120.400 0.226 0.000 2.369 715 D HA 0.196 4.836 4.640 0.000 0.000 0.211 715 D C 2.061 178.424 176.300 0.106 0.000 1.077 715 D CA 0.933 55.014 54.000 0.134 0.000 0.842 715 D CB 0.637 41.489 40.800 0.085 0.000 0.947 715 D HN 0.336 nan 8.370 nan 0.000 0.509 716 G N 1.115 109.982 108.800 0.112 0.000 2.176 716 G HA2 -0.251 3.709 3.960 0.000 0.000 0.232 716 G HA3 -0.251 3.709 3.960 0.000 0.000 0.232 716 G C 0.466 175.381 174.900 0.026 0.000 0.986 716 G CA 0.002 45.154 45.100 0.087 0.000 0.643 716 G HN 0.192 nan 8.290 nan 0.000 0.522 717 K N 1.248 121.649 120.400 0.002 0.000 2.276 717 K HA 0.606 4.926 4.320 0.000 0.000 0.283 717 K C 0.733 177.297 176.600 -0.060 0.000 1.044 717 K CA 0.369 56.645 56.287 -0.019 0.000 0.944 717 K CB 0.701 33.194 32.500 -0.013 0.000 1.012 717 K HN 0.409 nan 8.250 nan 0.000 0.472 718 T N 4.943 119.469 114.554 -0.048 0.000 2.870 718 T HA 0.270 4.620 4.350 0.000 0.000 0.300 718 T C 0.220 174.890 174.700 -0.050 0.000 0.989 718 T CA -0.197 61.868 62.100 -0.058 0.000 1.139 718 T CB 0.004 68.856 68.868 -0.028 0.000 0.920 718 T HN 0.418 nan 8.240 nan 0.000 0.537 719 L N 3.389 124.577 121.223 -0.060 0.000 2.272 719 L HA 0.598 4.938 4.340 0.000 0.000 0.289 719 L C 1.226 178.100 176.870 0.008 0.000 1.032 719 L CA -0.647 54.167 54.840 -0.043 0.000 0.810 719 L CB 0.540 42.547 42.059 -0.087 0.000 1.205 719 L HN 0.975 nan 8.230 nan 0.000 0.422 720 G N 1.797 110.608 108.800 0.018 0.000 2.645 720 G HA2 -0.168 3.792 3.960 0.000 0.000 0.246 720 G HA3 -0.168 3.792 3.960 0.000 0.000 0.246 720 G C -0.253 174.669 174.900 0.036 0.000 1.322 720 G CA 0.044 45.171 45.100 0.045 0.000 0.898 720 G HN 0.867 nan 8.290 nan 0.000 0.573 721 K N 0.037 120.461 120.400 0.039 0.000 2.132 721 K HA 0.758 5.078 4.320 0.000 0.000 0.241 721 K C 0.770 177.382 176.600 0.021 0.000 1.000 721 K CA 0.302 56.602 56.287 0.022 0.000 0.911 721 K CB 0.396 nan 32.500 nan 0.000 1.093 721 K HN 0.899 nan 8.250 nan 0.000 0.460 722 K N 0.120 120.523 120.400 0.005 0.000 2.440 722 K HA 0.230 4.550 4.320 0.000 0.000 0.270 722 K C -0.327 176.250 176.600 -0.040 0.000 0.980 722 K CA 0.262 56.541 56.287 -0.012 0.000 0.953 722 K CB 0.120 32.610 32.500 -0.018 0.000 0.925 722 K HN 0.510 nan 8.250 nan 0.000 0.497 723 I N 2.120 122.640 120.570 -0.084 0.000 2.404 723 I HA 0.164 4.334 4.170 0.000 0.000 0.293 723 I C -0.273 175.728 176.117 -0.195 0.000 0.992 723 I CA -0.403 60.804 61.300 -0.154 0.000 1.149 723 I CB 1.623 39.467 38.000 -0.260 0.000 1.315 723 I HN 0.375 nan 8.210 nan 0.000 0.446 724 Q N 5.173 124.860 119.800 -0.190 0.000 2.337 724 Q HA 0.650 4.990 4.340 0.000 0.000 0.270 724 Q C -1.446 174.366 176.000 -0.314 0.000 1.043 724 Q CA -0.862 54.764 55.803 -0.295 0.000 0.794 724 Q CB 3.346 31.905 28.738 -0.298 0.000 1.281 724 Q HN 0.429 nan 8.270 nan 0.000 0.446 725 V N 2.952 122.647 119.914 -0.365 0.000 2.376 725 V HA 0.348 4.468 4.120 0.000 0.000 0.287 725 V C -0.338 175.592 176.094 -0.273 0.000 1.015 725 V CA -0.841 61.326 62.300 -0.221 0.000 0.834 725 V CB 0.933 32.689 31.823 -0.113 0.000 1.001 725 V HN 0.733 nan 8.190 nan 0.000 0.428 726 H N 2.062 121.123 119.070 -0.015 0.000 2.570 726 H HA 0.480 5.036 4.556 -0.000 0.000 0.342 726 H C 0.821 176.144 175.328 -0.007 0.000 1.245 726 H CA -0.014 56.027 56.048 -0.012 0.000 1.318 726 H CB 1.828 31.584 29.762 -0.011 0.000 1.694 726 H HN 0.721 nan 8.280 nan 0.000 0.592 727 S N -0.017 115.771 115.700 0.146 0.000 3.635 727 S HA -0.155 4.315 4.470 0.000 0.000 0.328 727 S C 0.146 174.772 174.600 0.043 0.000 1.135 727 S CA 0.081 58.326 58.200 0.074 0.000 0.942 727 S CB -1.645 61.593 63.200 0.063 0.000 0.930 727 S HN 0.351 nan 8.310 nan 0.000 0.512 728 L N 1.129 122.373 121.223 0.034 0.000 2.334 728 L HA 0.509 4.849 4.340 0.000 0.000 0.277 728 L C 0.586 177.466 176.870 0.016 0.000 1.075 728 L CA -0.093 54.757 54.840 0.015 0.000 0.804 728 L CB 1.054 43.113 42.059 0.000 0.000 1.174 728 L HN 0.272 nan 8.230 nan 0.000 0.438 729 E N 1.780 121.987 120.200 0.012 0.000 2.183 729 E HA 0.450 4.801 4.350 0.000 0.000 0.271 729 E C -1.481 175.127 176.600 0.013 0.000 0.919 729 E CA -0.695 55.713 56.400 0.013 0.000 0.781 729 E CB 2.087 31.794 29.700 0.012 0.000 1.140 729 E HN 0.302 nan 8.360 nan 0.000 0.402 730 V N 5.978 125.902 119.914 0.017 0.000 2.250 730 V HA 0.287 4.407 4.120 0.000 0.000 0.268 730 V C -2.340 173.768 176.094 0.023 0.000 1.043 730 V CA -1.803 60.510 62.300 0.020 0.000 0.814 730 V CB 0.567 32.404 31.823 0.023 0.000 1.072 730 V HN 0.656 nan 8.190 nan 0.000 0.451 731 P HA 0.170 nan 4.420 nan 0.000 0.269 731 P C 0.217 177.533 177.300 0.027 0.000 1.209 731 P CA 0.171 63.283 63.100 0.021 0.000 0.776 731 P CB 0.627 32.340 31.700 0.023 0.000 0.876 732 A N 3.286 126.117 122.820 0.019 0.000 2.565 732 A HA -0.013 4.307 4.320 0.000 0.000 0.237 732 A C 0.762 178.376 177.584 0.050 0.000 1.053 732 A CA 0.228 52.278 52.037 0.022 0.000 0.755 732 A CB -0.984 18.004 19.000 -0.019 0.000 0.980 732 A HN 0.735 nan 8.150 nan 0.000 0.506 733 N N -0.213 118.542 118.700 0.090 0.000 2.725 733 N HA -0.153 4.587 4.740 0.000 0.000 0.251 733 N C 0.036 175.600 175.510 0.090 0.000 1.031 733 N CA 1.658 54.787 53.050 0.131 0.000 0.720 733 N CB -1.443 37.149 38.487 0.174 0.000 0.930 733 N HN 1.312 nan 8.380 nan 0.000 0.543 734 T N -4.265 110.327 114.554 0.063 0.000 2.864 734 T HA 0.659 5.009 4.350 0.000 0.000 0.299 734 T C -0.457 174.270 174.700 0.044 0.000 1.166 734 T CA -0.703 61.430 62.100 0.054 0.000 1.007 734 T CB 2.650 71.549 68.868 0.052 0.000 1.219 734 T HN 0.058 nan 8.240 nan 0.000 0.506 735 S N 0.538 116.276 115.700 0.064 0.000 2.605 735 S HA 0.640 5.110 4.470 0.000 0.000 0.308 735 S C -1.252 173.455 174.600 0.178 0.000 1.113 735 S CA -0.754 57.509 58.200 0.105 0.000 1.049 735 S CB 0.259 63.496 63.200 0.063 0.000 1.001 735 S HN 0.722 nan 8.310 nan 0.000 0.480 736 K N 2.760 123.264 120.400 0.174 0.000 2.468 736 K HA 0.359 4.679 4.320 0.000 0.000 0.252 736 K C -1.128 175.389 176.600 -0.138 0.000 0.932 736 K CA -0.709 55.619 56.287 0.068 0.000 0.794 736 K CB 1.767 34.276 32.500 0.015 0.000 1.241 736 K HN 0.670 nan 8.250 nan 0.000 0.428 737 C N 3.361 122.372 119.300 -0.482 0.000 2.566 737 C HA 0.176 4.636 4.460 0.000 0.000 0.393 737 C C 1.644 176.436 174.990 -0.331 0.000 1.309 737 C CA -0.259 58.268 59.018 -0.819 0.000 1.801 737 C CB -1.108 26.137 27.740 -0.825 0.000 2.493 737 C HN 0.688 nan 8.230 nan 0.000 0.575 738 V N 3.734 123.514 119.914 -0.224 0.000 3.605 738 V HA 0.405 4.525 4.120 0.000 0.000 0.284 738 V C -0.188 175.924 176.094 0.030 0.000 1.386 738 V CA 0.022 62.277 62.300 -0.075 0.000 1.053 738 V CB -0.826 30.974 31.823 -0.038 0.000 0.857 738 V HN 0.837 nan 8.190 nan 0.000 0.436 739 Y N 0.487 120.686 120.300 -0.168 0.000 2.465 739 Y HA 0.680 5.230 4.550 0.000 0.000 0.323 739 Y C -0.879 174.951 175.900 -0.117 0.000 1.191 739 Y CA -1.046 56.976 58.100 -0.130 0.000 1.082 739 Y CB 1.412 39.804 38.460 -0.112 0.000 1.334 739 Y HN 0.236 nan 8.280 nan 0.000 0.449 740 R N 4.297 124.415 120.500 -0.637 0.000 2.564 740 R HA 0.930 5.270 4.340 0.000 0.000 0.284 740 R C -2.076 173.854 176.300 -0.616 0.000 1.031 740 R CA -0.623 55.223 56.100 -0.424 0.000 0.904 740 R CB 1.716 31.878 30.300 -0.231 0.000 1.199 740 R HN 0.840 nan 8.270 nan 0.000 0.443 741 A N 4.185 126.815 122.820 -0.318 0.000 2.459 741 A HA 0.365 4.685 4.320 0.000 0.000 0.296 741 A C -1.291 176.325 177.584 0.052 0.000 1.039 741 A CA -1.034 50.871 52.037 -0.219 0.000 0.698 741 A CB 1.208 20.014 19.000 -0.324 0.000 1.261 741 A HN 0.802 nan 8.150 nan 0.000 0.405 742 K N 2.294 122.723 120.400 0.049 0.000 2.295 742 K HA 0.434 4.754 4.320 0.000 0.000 0.270 742 K C -0.007 176.742 176.600 0.248 0.000 1.011 742 K CA -0.562 55.797 56.287 0.122 0.000 0.953 742 K CB 0.670 33.208 32.500 0.062 0.000 0.956 742 K HN 0.545 nan 8.250 nan 0.000 0.477 743 L N 0.384 121.734 121.223 0.211 0.000 2.156 743 L HA -0.066 4.274 4.340 0.000 0.000 0.208 743 L C 0.610 177.537 176.870 0.095 0.000 1.095 743 L CA 0.609 55.543 54.840 0.157 0.000 0.770 743 L CB -0.383 41.676 42.059 -0.001 0.000 0.914 743 L HN 0.852 nan 8.230 nan 0.000 0.439 744 D N 0.138 120.582 120.400 0.073 0.000 2.382 744 D HA 0.276 4.916 4.640 0.000 0.000 0.259 744 D C 1.048 177.390 176.300 0.071 0.000 1.224 744 D CA 1.208 55.234 54.000 0.045 0.000 0.894 744 D CB 0.561 41.379 40.800 0.030 0.000 1.127 744 D HN 0.323 nan 8.370 nan 0.000 0.487 745 G N 3.239 112.075 108.800 0.061 0.000 2.195 745 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 745 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 745 G C 0.551 175.544 174.900 0.154 0.000 0.984 745 G CA 0.355 45.500 45.100 0.075 0.000 0.633 745 G HN 0.560 nan 8.290 nan 0.000 0.525 746 W N 0.602 121.866 121.300 -0.060 0.000 3.008 746 W HA 0.641 5.301 4.660 -0.000 0.000 0.259 746 W C 0.382 176.833 176.519 -0.113 0.000 1.045 746 W CA 0.614 57.917 57.345 -0.069 0.000 1.814 746 W CB 0.020 29.448 29.460 -0.053 0.000 1.089 746 W HN 0.105 nan 8.180 nan 0.000 0.606 747 L N 2.389 123.457 121.223 -0.257 0.000 2.362 747 L HA 0.341 4.681 4.340 0.000 0.000 0.275 747 L C 0.563 177.263 176.870 -0.284 0.000 0.998 747 L CA -0.798 53.760 54.840 -0.470 0.000 0.820 747 L CB 1.838 43.332 42.059 -0.942 0.000 1.270 747 L HN -0.117 nan 8.230 nan 0.000 0.415 748 T N -1.062 113.359 114.554 -0.222 0.000 2.868 748 T HA 0.217 4.567 4.350 0.000 0.000 0.292 748 T C -1.931 172.670 174.700 -0.164 0.000 1.028 748 T CA -1.501 60.509 62.100 -0.149 0.000 1.059 748 T CB 1.065 69.867 68.868 -0.110 0.000 0.991 748 T HN 0.329 nan 8.240 nan 0.000 0.531 749 P HA -0.023 nan 4.420 nan 0.000 0.217 749 P C 1.784 179.030 177.300 -0.089 0.000 1.148 749 P CA 1.821 64.866 63.100 -0.091 0.000 0.828 749 P CB -0.264 31.403 31.700 -0.055 0.000 0.783 750 E N 0.363 120.509 120.200 -0.091 0.000 2.047 750 E HA -0.240 4.110 4.350 0.000 0.000 0.191 750 E C 1.760 178.282 176.600 -0.130 0.000 0.987 750 E CA 1.685 58.032 56.400 -0.089 0.000 0.799 750 E CB -1.732 27.923 29.700 -0.076 0.000 0.752 750 E HN 0.264 nan 8.360 nan 0.000 0.449 751 D N -0.098 120.198 120.400 -0.173 0.000 2.133 751 D HA -0.130 4.510 4.640 0.000 0.000 0.195 751 D C 2.093 178.245 176.300 -0.247 0.000 0.997 751 D CA 1.552 55.409 54.000 -0.239 0.000 0.840 751 D CB -0.742 39.874 40.800 -0.306 0.000 0.947 751 D HN 0.540 nan 8.370 nan 0.000 0.452 752 C N 0.512 119.673 119.300 -0.233 0.000 2.419 752 C HA -0.051 4.409 4.460 0.000 0.000 0.283 752 C C 2.305 177.336 174.990 0.068 0.000 1.373 752 C CA 0.311 59.264 59.018 -0.109 0.000 1.781 752 C CB -0.841 26.832 27.740 -0.110 0.000 1.886 752 C HN 0.326 nan 8.230 nan 0.000 0.520 753 R N -0.007 120.486 120.500 -0.012 0.000 2.300 753 R HA 0.116 4.456 4.340 0.000 0.000 0.199 753 R C 1.389 177.650 176.300 -0.066 0.000 0.920 753 R CA 0.381 56.504 56.100 0.039 0.000 1.046 753 R CB 0.030 30.341 30.300 0.019 0.000 0.984 753 R HN 0.550 nan 8.270 nan 0.000 0.493 754 R N 0.010 120.305 120.500 -0.341 0.000 2.566 754 R HA 0.154 4.494 4.340 0.000 0.000 0.388 754 R C -0.394 175.134 176.300 -1.286 0.000 0.989 754 R CA 0.025 55.591 56.100 -0.889 0.000 1.164 754 R CB 1.324 31.358 30.300 -0.444 0.000 1.459 754 R HN 0.056 nan 8.270 nan 0.000 0.553 755 S N -0.107 115.166 115.700 -0.712 0.000 2.656 755 S HA 0.735 5.205 4.470 0.000 0.000 0.273 755 S C -0.856 173.877 174.600 0.221 0.000 1.168 755 S CA -0.979 57.038 58.200 -0.303 0.000 0.817 755 S CB 1.611 64.664 63.200 -0.245 0.000 1.146 755 S HN 0.173 nan 8.310 nan 0.000 0.475 756 F N -0.938 119.060 119.950 0.080 0.000 2.629 756 F HA 0.882 5.409 4.527 0.000 0.000 0.316 756 F C -1.536 174.165 175.800 -0.165 0.000 1.081 756 F CA -1.467 56.349 58.000 -0.307 0.000 0.954 756 F CB 0.903 39.417 39.000 -0.810 0.000 1.337 756 F HN 0.634 nan 8.300 nan 0.000 0.474 757 L N 2.773 123.924 121.223 -0.121 0.000 2.282 757 L HA 0.597 4.937 4.340 0.000 0.000 0.288 757 L C -0.662 176.288 176.870 0.133 0.000 1.033 757 L CA -0.474 54.394 54.840 0.046 0.000 0.807 757 L CB 1.060 43.188 42.059 0.116 0.000 1.209 757 L HN 0.745 nan 8.230 nan 0.000 0.423 758 K N 4.394 124.875 120.400 0.135 0.000 2.185 758 K HA 0.730 5.050 4.320 0.000 0.000 0.269 758 K C -1.730 174.909 176.600 0.064 0.000 0.987 758 K CA -0.141 56.232 56.287 0.142 0.000 0.865 758 K CB 0.884 33.484 32.500 0.167 0.000 1.090 758 K HN 0.530 nan 8.250 nan 0.000 0.450 759 L N 5.958 127.204 121.223 0.039 0.000 2.409 759 L HA 0.593 4.933 4.340 0.000 0.000 0.272 759 L C -0.599 176.265 176.870 -0.011 0.000 0.980 759 L CA -0.626 54.214 54.840 0.001 0.000 0.826 759 L CB 1.518 43.577 42.059 -0.001 0.000 1.268 759 L HN 0.653 nan 8.230 nan 0.000 0.407 760 I N 0.356 120.907 120.570 -0.032 0.000 2.647 760 I HA 0.713 4.883 4.170 0.000 0.000 0.295 760 I C -1.514 174.571 176.117 -0.053 0.000 1.078 760 I CA -1.096 60.181 61.300 -0.039 0.000 1.048 760 I CB 2.362 40.339 38.000 -0.037 0.000 1.239 760 I HN 0.430 nan 8.210 nan 0.000 0.421 761 L N 5.160 126.352 121.223 -0.052 0.000 2.313 761 L HA 0.594 4.934 4.340 0.000 0.000 0.283 761 L C -0.773 176.061 176.870 -0.059 0.000 1.013 761 L CA -0.029 54.781 54.840 -0.051 0.000 0.816 761 L CB 1.201 43.239 42.059 -0.035 0.000 1.236 761 L HN 0.661 nan 8.230 nan 0.000 0.419 762 K N 2.633 123.007 120.400 -0.043 0.000 2.316 762 K HA 0.423 4.743 4.320 0.000 0.000 0.251 762 K C -1.053 175.554 176.600 0.011 0.000 0.934 762 K CA -0.902 55.367 56.287 -0.030 0.000 0.802 762 K CB 1.685 34.178 32.500 -0.012 0.000 1.171 762 K HN 0.742 nan 8.250 nan 0.000 0.426 763 D N 1.130 121.555 120.400 0.041 0.000 2.371 763 D HA 0.076 4.716 4.640 0.000 0.000 0.242 763 D C 1.200 177.540 176.300 0.067 0.000 1.218 763 D CA -0.286 53.756 54.000 0.069 0.000 0.945 763 D CB 0.490 41.356 40.800 0.110 0.000 1.137 763 D HN 0.442 nan 8.370 nan 0.000 0.464 764 K N 0.173 120.608 120.400 0.058 0.000 2.173 764 K HA -0.187 4.133 4.320 0.000 0.000 0.207 764 K C 2.078 178.707 176.600 0.049 0.000 1.046 764 K CA 2.319 58.636 56.287 0.050 0.000 0.929 764 K CB -1.476 31.045 32.500 0.035 0.000 0.720 764 K HN 0.629 nan 8.250 nan 0.000 0.453 765 S N -1.828 113.906 115.700 0.056 0.000 2.527 765 S HA 0.326 4.796 4.470 0.000 0.000 0.222 765 S C 1.774 176.415 174.600 0.068 0.000 0.985 765 S CA 1.103 59.335 58.200 0.053 0.000 0.921 765 S CB -0.121 63.107 63.200 0.047 0.000 0.772 765 S HN 1.769 nan 8.310 nan 0.000 0.529 766 G N 0.515 109.363 108.800 0.080 0.000 2.157 766 G HA2 -0.252 3.708 3.960 0.000 0.000 0.239 766 G HA3 -0.252 3.708 3.960 0.000 0.000 0.239 766 G C -0.084 174.871 174.900 0.091 0.000 0.982 766 G CA 0.189 45.332 45.100 0.072 0.000 0.650 766 G HN 0.948 nan 8.290 nan 0.000 0.527 767 H N 0.901 119.981 119.070 0.016 0.000 2.722 767 H HA 0.547 5.103 4.556 0.000 0.000 0.328 767 H C 0.581 175.917 175.328 0.013 0.000 1.067 767 H CA 0.417 56.473 56.048 0.013 0.000 1.447 767 H CB 0.750 30.519 29.762 0.012 0.000 1.469 767 H HN 0.431 nan 8.280 nan 0.000 0.544 768 Q N 4.158 123.658 119.800 -0.501 0.000 2.297 768 Q HA 0.155 4.495 4.340 0.000 0.000 0.267 768 Q C -0.446 175.207 176.000 -0.578 0.000 1.006 768 Q CA -0.333 55.228 55.803 -0.404 0.000 0.896 768 Q CB 0.791 29.397 28.738 -0.219 0.000 1.186 768 Q HN 0.715 nan 8.270 nan 0.000 0.392 769 V N 3.002 122.749 119.914 -0.279 0.000 3.263 769 V HA 0.388 4.508 4.120 0.000 0.000 0.248 769 V C 0.055 176.107 176.094 -0.070 0.000 1.145 769 V CA 0.979 63.193 62.300 -0.144 0.000 1.107 769 V CB 0.675 32.469 31.823 -0.049 0.000 0.797 769 V HN 0.827 nan 8.190 nan 0.000 0.467 770 A N 0.408 123.186 122.820 -0.069 0.000 2.608 770 A HA 0.749 5.069 4.320 0.000 0.000 0.292 770 A C -1.135 176.428 177.584 -0.036 0.000 1.066 770 A CA -0.519 51.496 52.037 -0.035 0.000 0.676 770 A CB 1.504 20.496 19.000 -0.014 0.000 1.277 770 A HN 0.288 nan 8.150 nan 0.000 0.413 771 E N 0.288 120.476 120.200 -0.021 0.000 2.408 771 E HA 0.860 5.210 4.350 0.000 0.000 0.275 771 E C -1.065 175.534 176.600 -0.001 0.000 0.935 771 E CA -0.777 55.614 56.400 -0.014 0.000 0.775 771 E CB 2.131 31.822 29.700 -0.016 0.000 1.277 771 E HN 0.475 nan 8.360 nan 0.000 0.455 772 S N 0.034 115.738 115.700 0.006 0.000 2.638 772 S HA 0.584 5.054 4.470 0.000 0.000 0.274 772 S C -1.393 173.218 174.600 0.019 0.000 1.157 772 S CA -0.687 57.523 58.200 0.016 0.000 0.826 772 S CB 1.962 65.176 63.200 0.024 0.000 1.139 772 S HN 0.427 nan 8.310 nan 0.000 0.474 773 V N 1.798 121.720 119.914 0.013 0.000 2.709 773 V HA 0.541 4.661 4.120 0.000 0.000 0.308 773 V C -1.185 174.895 176.094 -0.022 0.000 1.062 773 V CA -0.593 61.685 62.300 -0.036 0.000 0.901 773 V CB 1.794 33.532 31.823 -0.142 0.000 1.003 773 V HN 0.966 nan 8.190 nan 0.000 0.425 774 H N 3.393 122.314 119.070 -0.248 0.000 2.589 774 H HA 0.697 5.253 4.556 -0.000 0.000 0.351 774 H C -1.636 173.310 175.328 -0.636 0.000 1.074 774 H CA -0.575 55.299 56.048 -0.291 0.000 1.203 774 H CB 1.372 30.989 29.762 -0.243 0.000 1.558 774 H HN 0.431 nan 8.280 nan 0.000 0.522 775 F N 4.435 123.888 119.950 -0.829 0.000 2.422 775 F HA 0.234 4.761 4.527 -0.000 0.000 0.333 775 F C 0.190 175.435 175.800 -0.924 0.000 1.095 775 F CA -0.566 57.041 58.000 -0.656 0.000 1.038 775 F CB 0.897 39.730 39.000 -0.278 0.000 1.156 775 F HN 0.583 nan 8.300 nan 0.000 0.483 776 F N 0.847 120.741 119.950 -0.092 0.000 2.776 776 F HA 0.266 4.793 4.527 0.000 0.000 0.300 776 F C 0.863 176.659 175.800 -0.007 0.000 1.116 776 F CA 0.134 58.102 58.000 -0.053 0.000 1.375 776 F CB -0.074 38.903 39.000 -0.039 0.000 1.109 776 F HN 0.153 nan 8.300 nan 0.000 0.585 777 R N 0.024 120.618 120.500 0.156 0.000 2.836 777 R HA 0.350 4.690 4.340 0.000 0.000 0.269 777 R C -0.355 175.936 176.300 -0.014 0.000 1.010 777 R CA -1.089 55.058 56.100 0.079 0.000 0.930 777 R CB 1.351 31.709 30.300 0.096 0.000 1.218 777 R HN -0.013 nan 8.270 nan 0.000 0.473 778 K N 0.280 120.632 120.400 -0.079 0.000 2.469 778 K HA 0.025 4.345 4.320 0.000 0.000 0.274 778 K C 0.972 177.431 176.600 -0.235 0.000 0.983 778 K CA 0.280 56.453 56.287 -0.191 0.000 0.974 778 K CB 0.453 32.833 32.500 -0.200 0.000 0.913 778 K HN 0.423 nan 8.250 nan 0.000 0.493 779 T N 2.346 116.654 114.554 -0.410 0.000 2.720 779 T HA -0.200 4.150 4.350 0.000 0.000 0.268 779 T C 1.604 176.133 174.700 -0.284 0.000 1.037 779 T CA 1.816 63.675 62.100 -0.402 0.000 1.144 779 T CB -0.114 68.408 68.868 -0.577 0.000 0.864 779 T HN 0.644 nan 8.240 nan 0.000 0.444 780 K N 0.951 121.149 120.400 -0.337 0.000 2.280 780 K HA -0.108 4.212 4.320 0.000 0.000 0.202 780 K C 1.149 177.648 176.600 -0.168 0.000 1.047 780 K CA 1.585 57.723 56.287 -0.249 0.000 0.942 780 K CB -0.011 32.354 32.500 -0.225 0.000 0.739 780 K HN 0.193 nan 8.250 nan 0.000 0.457 781 D N 0.833 121.162 120.400 -0.119 0.000 2.350 781 D HA 0.123 4.763 4.640 0.000 0.000 0.213 781 D C 0.430 176.744 176.300 0.023 0.000 1.031 781 D CA 0.130 54.101 54.000 -0.048 0.000 0.861 781 D CB 0.182 40.958 40.800 -0.041 0.000 0.926 781 D HN 0.180 nan 8.370 nan 0.000 0.520 782 L N 1.166 122.418 121.223 0.049 0.000 2.439 782 L HA 0.131 4.471 4.340 0.000 0.000 0.269 782 L C 0.764 177.771 176.870 0.229 0.000 1.179 782 L CA 0.020 54.981 54.840 0.202 0.000 0.828 782 L CB 0.571 42.760 42.059 0.217 0.000 1.106 782 L HN -0.298 nan 8.230 nan 0.000 0.467 783 Q N 4.019 124.015 119.800 0.327 0.000 2.673 783 Q HA 0.341 4.681 4.340 0.000 0.000 0.224 783 Q C -0.837 175.413 176.000 0.417 0.000 1.226 783 Q CA -0.220 55.749 55.803 0.277 0.000 1.019 783 Q CB 0.497 29.335 28.738 0.167 0.000 1.312 783 Q HN 0.499 nan 8.270 nan 0.000 0.566 784 L N 4.109 125.523 121.223 0.318 0.000 2.416 784 L HA 0.274 4.614 4.340 0.000 0.000 0.272 784 L C -1.806 175.174 176.870 0.184 0.000 1.161 784 L CA -1.660 53.306 54.840 0.210 0.000 0.845 784 L CB 0.064 42.206 42.059 0.139 0.000 1.119 784 L HN 0.239 nan 8.230 nan 0.000 0.464 785 P HA 0.230 nan 4.420 nan 0.000 0.279 785 P C -2.546 174.792 177.300 0.064 0.000 1.252 785 P CA -1.987 61.184 63.100 0.119 0.000 0.811 785 P CB 0.225 32.004 31.700 0.132 0.000 1.035 786 P HA 0.027 nan 4.420 nan 0.000 0.230 786 P C 0.223 177.541 177.300 0.030 0.000 1.791 786 P CA 0.179 63.295 63.100 0.027 0.000 1.020 786 P CB -0.650 31.055 31.700 0.009 0.000 1.977 787 T N 0.432 115.002 114.554 0.027 0.000 2.898 787 T HA 0.153 4.503 4.350 0.000 0.000 0.301 787 T C 0.025 174.710 174.700 -0.025 0.000 1.049 787 T CA 0.015 62.093 62.100 -0.037 0.000 1.095 787 T CB 0.185 68.961 68.868 -0.154 0.000 0.976 787 T HN 0.144 nan 8.240 nan 0.000 0.539 788 S N 3.251 118.928 115.700 -0.038 0.000 2.438 788 S HA 0.541 5.011 4.470 0.000 0.000 0.316 788 S C -0.823 173.755 174.600 -0.036 0.000 1.084 788 S CA -0.783 57.412 58.200 -0.008 0.000 1.107 788 S CB 0.370 63.580 63.200 0.016 0.000 0.981 788 S HN 0.589 nan 8.310 nan 0.000 0.466 789 V N 5.833 125.738 119.914 -0.014 0.000 2.347 789 V HA 0.546 4.666 4.120 0.000 0.000 0.280 789 V C 0.256 176.404 176.094 0.089 0.000 1.021 789 V CA -0.568 61.726 62.300 -0.010 0.000 0.847 789 V CB 1.111 32.895 31.823 -0.064 0.000 0.990 789 V HN 0.983 nan 8.190 nan 0.000 0.444 790 S N 5.011 120.791 115.700 0.133 0.000 2.664 790 S HA 0.936 5.406 4.470 0.000 0.000 0.304 790 S C -0.950 173.790 174.600 0.234 0.000 1.099 790 S CA -0.708 57.572 58.200 0.132 0.000 1.003 790 S CB 2.032 65.293 63.200 0.102 0.000 1.092 790 S HN 0.844 nan 8.310 nan 0.000 0.525 791 Y N -1.511 118.813 120.300 0.041 0.000 2.581 791 Y HA 0.697 5.247 4.550 0.000 0.000 0.337 791 Y C -1.252 174.657 175.900 0.014 0.000 1.108 791 Y CA -1.273 56.848 58.100 0.035 0.000 1.033 791 Y CB 0.867 39.337 38.460 0.018 0.000 1.318 791 Y HN 0.652 nan 8.280 nan 0.000 0.459 792 Q N 3.333 123.196 119.800 0.104 0.000 2.274 792 Q HA 0.623 4.963 4.340 0.000 0.000 0.260 792 Q C -1.010 175.075 176.000 0.142 0.000 0.974 792 Q CA -1.003 54.819 55.803 0.033 0.000 0.876 792 Q CB 2.491 31.235 28.738 0.011 0.000 1.297 792 Q HN 0.619 nan 8.270 nan 0.000 0.446 793 M N 1.898 121.557 119.600 0.099 0.000 2.311 793 M HA 0.349 4.829 4.480 0.000 0.000 0.325 793 M C -0.997 175.331 176.300 0.046 0.000 1.061 793 M CA -0.503 54.866 55.300 0.115 0.000 0.957 793 M CB 1.918 34.603 32.600 0.142 0.000 1.646 793 M HN 0.501 nan 8.290 nan 0.000 0.434 794 K N 3.552 123.971 120.400 0.032 0.000 2.464 794 K HA 0.307 4.627 4.320 0.000 0.000 0.252 794 K C -1.045 175.556 176.600 0.002 0.000 1.000 794 K CA -0.241 56.052 56.287 0.011 0.000 0.951 794 K CB 1.258 33.761 32.500 0.006 0.000 1.183 794 K HN 0.704 nan 8.250 nan 0.000 0.445 795 Q N 3.018 122.817 119.800 -0.001 0.000 2.307 795 Q HA 0.279 4.619 4.340 0.000 0.000 0.262 795 Q C -1.112 174.880 176.000 -0.013 0.000 0.961 795 Q CA -0.511 55.286 55.803 -0.010 0.000 0.882 795 Q CB 1.468 30.201 28.738 -0.008 0.000 1.264 795 Q HN 0.707 nan 8.270 nan 0.000 0.446 796 T N -0.062 114.481 114.554 -0.018 0.000 2.906 796 T HA 0.388 4.738 4.350 0.000 0.000 0.295 796 T C -0.676 174.012 174.700 -0.020 0.000 1.075 796 T CA -1.089 61.001 62.100 -0.016 0.000 1.005 796 T CB 1.133 69.993 68.868 -0.014 0.000 1.136 796 T HN 0.671 nan 8.240 nan 0.000 0.498 797 D N -0.073 120.317 120.400 -0.017 0.000 2.472 797 D HA 0.402 5.042 4.640 0.000 0.000 0.237 797 D C 1.562 177.849 176.300 -0.021 0.000 1.141 797 D CA 0.696 54.685 54.000 -0.018 0.000 0.875 797 D CB -0.211 40.581 40.800 -0.013 0.000 1.192 797 D HN 1.205 nan 8.370 nan 0.000 0.450 798 G N 1.283 110.067 108.800 -0.027 0.000 2.299 798 G HA2 -0.314 3.646 3.960 0.000 0.000 0.237 798 G HA3 -0.314 3.646 3.960 0.000 0.000 0.237 798 G C 0.264 175.135 174.900 -0.048 0.000 1.027 798 G CA 0.439 45.520 45.100 -0.032 0.000 0.619 798 G HN 0.854 nan 8.290 nan 0.000 0.513 799 K N -0.791 119.580 120.400 -0.048 0.000 2.542 799 K HA 0.575 4.895 4.320 0.000 0.000 0.259 799 K C -1.508 175.058 176.600 -0.057 0.000 0.932 799 K CA -0.264 55.988 56.287 -0.058 0.000 0.820 799 K CB 1.932 34.405 32.500 -0.045 0.000 1.345 799 K HN 0.567 nan 8.250 nan 0.000 0.432 800 C N 3.457 122.713 119.300 -0.075 0.000 2.364 800 C HA 0.510 4.970 4.460 0.000 0.000 0.324 800 C C -1.119 173.838 174.990 -0.055 0.000 1.234 800 C CA -0.328 58.653 59.018 -0.061 0.000 1.417 800 C CB 0.567 28.258 27.740 -0.081 0.000 2.101 800 C HN 0.895 nan 8.230 nan 0.000 0.466 801 E N 4.552 124.738 120.200 -0.024 0.000 2.113 801 E HA 0.522 4.872 4.350 0.000 0.000 0.273 801 E C -1.155 175.454 176.600 0.016 0.000 0.924 801 E CA -0.384 56.009 56.400 -0.011 0.000 0.764 801 E CB 1.415 31.112 29.700 -0.005 0.000 1.104 801 E HN 0.538 nan 8.360 nan 0.000 0.406 802 L N 2.416 123.650 121.223 0.018 0.000 2.325 802 L HA 0.374 4.714 4.340 0.000 0.000 0.278 802 L C -0.018 176.894 176.870 0.070 0.000 1.023 802 L CA -0.309 54.567 54.840 0.059 0.000 0.811 802 L CB 1.904 43.958 42.059 -0.008 0.000 1.249 802 L HN 0.395 nan 8.230 nan 0.000 0.431 803 T N 3.764 118.386 114.554 0.114 0.000 2.791 803 T HA 0.688 5.038 4.350 0.000 0.000 0.288 803 T C -0.348 174.451 174.700 0.165 0.000 0.999 803 T CA -0.456 61.706 62.100 0.103 0.000 0.952 803 T CB 0.677 69.591 68.868 0.076 0.000 0.938 803 T HN 0.126 nan 8.240 nan 0.000 0.444 804 L N 3.374 124.690 121.223 0.155 0.000 2.334 804 L HA 0.786 5.126 4.340 0.000 0.000 0.275 804 L C -0.607 176.407 176.870 0.240 0.000 1.036 804 L CA -0.778 54.180 54.840 0.197 0.000 0.807 804 L CB 1.113 43.261 42.059 0.148 0.000 1.231 804 L HN 0.620 nan 8.230 nan 0.000 0.438 805 F N 1.016 121.001 119.950 0.058 0.000 2.608 805 F HA 0.709 5.236 4.527 -0.000 0.000 0.309 805 F C -0.719 175.090 175.800 0.016 0.000 1.103 805 F CA -0.295 57.723 58.000 0.030 0.000 0.954 805 F CB 2.138 41.151 39.000 0.022 0.000 1.267 805 F HN 0.366 nan 8.300 nan 0.000 0.444 806 S N 2.177 117.206 115.700 -1.119 0.000 2.614 806 S HA 0.356 4.826 4.470 0.000 0.000 0.275 806 S C 0.154 174.152 174.600 -1.004 0.000 1.161 806 S CA 0.004 57.736 58.200 -0.780 0.000 0.969 806 S CB 1.279 64.240 63.200 -0.398 0.000 1.059 806 S HN 0.912 nan 8.310 nan 0.000 0.482 807 S N 4.296 119.655 115.700 -0.568 0.000 2.481 807 S HA 0.225 4.695 4.470 0.000 0.000 0.231 807 S C 0.625 175.153 174.600 -0.120 0.000 0.996 807 S CA 0.298 58.357 58.200 -0.235 0.000 0.942 807 S CB -0.469 62.749 63.200 0.031 0.000 0.768 807 S HN 0.687 nan 8.310 nan 0.000 0.520 808 M N 0.776 120.296 119.600 -0.134 0.000 2.644 808 M HA 0.482 4.962 4.480 0.000 0.000 0.304 808 M C -0.960 175.287 176.300 -0.088 0.000 1.215 808 M CA -1.090 54.188 55.300 -0.037 0.000 0.871 808 M CB 1.714 34.314 32.600 0.001 0.000 1.740 808 M HN 0.046 nan 8.290 nan 0.000 0.464 809 L N 2.388 123.597 121.223 -0.023 0.000 2.640 809 L HA 0.254 4.594 4.340 0.000 0.000 0.280 809 L C -0.407 176.320 176.870 -0.238 0.000 1.229 809 L CA 0.700 55.455 54.840 -0.141 0.000 0.919 809 L CB 0.040 41.949 42.059 -0.250 0.000 1.168 809 L HN 0.766 nan 8.230 nan 0.000 0.496 810 A N 5.268 127.920 122.820 -0.279 0.000 2.287 810 A HA 0.573 4.893 4.320 0.000 0.000 0.317 810 A C -0.442 177.000 177.584 -0.237 0.000 1.220 810 A CA -0.829 50.985 52.037 -0.372 0.000 0.835 810 A CB 0.735 19.369 19.000 -0.609 0.000 1.180 810 A HN 0.669 nan 8.150 nan 0.000 0.500 811 K N 2.328 122.631 120.400 -0.161 0.000 2.258 811 K HA 0.320 4.640 4.320 0.000 0.000 0.284 811 K C -0.530 176.040 176.600 -0.051 0.000 1.051 811 K CA 0.097 56.287 56.287 -0.161 0.000 0.923 811 K CB 0.215 32.597 32.500 -0.197 0.000 1.046 811 K HN 0.677 nan 8.250 nan 0.000 0.474 812 D N 3.320 123.667 120.400 -0.089 0.000 2.697 812 D HA -0.220 4.420 4.640 0.000 0.000 0.238 812 D C -0.242 176.049 176.300 -0.015 0.000 1.152 812 D CA 0.579 54.561 54.000 -0.030 0.000 0.666 812 D CB -0.631 40.172 40.800 0.005 0.000 1.037 812 D HN 0.440 nan 8.370 nan 0.000 0.423 813 I N 0.626 121.037 120.570 -0.265 0.000 2.752 813 I HA -0.037 4.133 4.170 0.000 0.000 0.289 813 I C 0.637 176.397 176.117 -0.595 0.000 1.197 813 I CA 0.606 61.647 61.300 -0.432 0.000 1.432 813 I CB -0.023 37.590 38.000 -0.644 0.000 1.359 813 I HN 0.039 nan 8.210 nan 0.000 0.571 814 F N 8.662 128.172 119.950 -0.734 0.000 2.460 814 F HA 0.499 5.026 4.527 -0.000 0.000 0.341 814 F C -0.362 174.998 175.800 -0.734 0.000 1.130 814 F CA -1.446 55.956 58.000 -0.997 0.000 0.962 814 F CB 0.802 39.262 39.000 -0.899 0.000 1.171 814 F HN 0.198 nan 8.300 nan 0.000 0.436 815 I N 5.713 125.743 120.570 -0.901 0.000 2.291 815 I HA 0.234 4.404 4.170 0.000 0.000 0.292 815 I C -0.123 175.419 176.117 -0.958 0.000 1.064 815 I CA -0.155 60.702 61.300 -0.738 0.000 1.269 815 I CB 0.807 38.593 38.000 -0.357 0.000 1.418 815 I HN 0.561 nan 8.210 nan 0.000 0.485 816 E N 6.163 125.756 120.200 -1.012 0.000 2.151 816 E HA 0.461 4.811 4.350 0.000 0.000 0.275 816 E C -0.778 175.611 176.600 -0.353 0.000 0.936 816 E CA -0.512 55.326 56.400 -0.937 0.000 0.777 816 E CB 1.382 30.439 29.700 -1.072 0.000 1.108 816 E HN 0.659 nan 8.360 nan 0.000 0.401 817 T N 0.963 115.440 114.554 -0.128 0.000 2.916 817 T HA 0.489 4.839 4.350 0.000 0.000 0.292 817 T C -2.210 172.478 174.700 -0.020 0.000 1.055 817 T CA -1.682 60.380 62.100 -0.064 0.000 1.009 817 T CB 1.796 70.636 68.868 -0.046 0.000 1.118 817 T HN 0.263 nan 8.240 nan 0.000 0.497 818 P HA 0.268 nan 4.420 nan 0.000 0.255 818 P C 0.136 177.434 177.300 -0.003 0.000 1.248 818 P CA -0.137 62.958 63.100 -0.009 0.000 0.807 818 P CB 0.152 31.842 31.700 -0.016 0.000 1.150 819 L N 1.263 122.482 121.223 -0.007 0.000 2.369 819 L HA 0.133 4.473 4.340 0.000 0.000 0.279 819 L C 0.934 177.814 176.870 0.016 0.000 1.108 819 L CA -0.367 54.468 54.840 -0.009 0.000 0.852 819 L CB 0.132 42.173 42.059 -0.030 0.000 1.169 819 L HN -0.084 nan 8.230 nan 0.000 0.452 820 Q N 2.478 122.280 119.800 0.003 0.000 2.300 820 Q HA 0.060 4.400 4.340 0.000 0.000 0.280 820 Q C 1.192 177.229 176.000 0.063 0.000 1.033 820 Q CA 1.025 56.840 55.803 0.020 0.000 0.903 820 Q CB 0.950 29.651 28.738 -0.061 0.000 1.195 820 Q HN 0.927 nan 8.270 nan 0.000 0.386 821 G N 1.801 110.668 108.800 0.112 0.000 2.162 821 G HA2 -0.325 3.635 3.960 0.000 0.000 0.260 821 G HA3 -0.325 3.635 3.960 0.000 0.000 0.260 821 G C 0.407 175.342 174.900 0.057 0.000 0.976 821 G CA 0.223 45.385 45.100 0.103 0.000 0.655 821 G HN 0.923 nan 8.290 nan 0.000 0.533 822 A N 0.160 123.002 122.820 0.037 0.000 2.540 822 A HA 0.568 4.888 4.320 0.000 0.000 0.239 822 A C 0.876 178.423 177.584 -0.062 0.000 1.061 822 A CA 0.504 52.501 52.037 -0.067 0.000 0.758 822 A CB 0.199 19.110 19.000 -0.150 0.000 0.991 822 A HN 0.562 nan 8.150 nan 0.000 0.502 823 R N 0.831 121.231 120.500 -0.167 0.000 2.474 823 R HA 0.525 4.865 4.340 0.000 0.000 0.295 823 R C -1.545 174.617 176.300 -0.229 0.000 0.980 823 R CA -0.178 55.820 56.100 -0.170 0.000 0.934 823 R CB 1.240 31.434 30.300 -0.176 0.000 1.101 823 R HN 0.762 nan 8.270 nan 0.000 0.469 824 Y N -0.513 119.684 120.300 -0.171 0.000 2.446 824 Y HA 0.070 4.620 4.550 0.000 0.000 0.345 824 Y C 1.485 177.351 175.900 -0.056 0.000 0.984 824 Y CA -0.653 57.410 58.100 -0.061 0.000 1.058 824 Y CB 2.279 40.758 38.460 0.031 0.000 1.220 824 Y HN 0.712 nan 8.280 nan 0.000 0.455 825 S N -0.283 115.486 115.700 0.116 0.000 2.399 825 S HA -0.093 4.377 4.470 0.000 0.000 0.231 825 S C 0.107 174.804 174.600 0.161 0.000 1.022 825 S CA 1.470 59.719 58.200 0.082 0.000 0.983 825 S CB 0.059 63.283 63.200 0.040 0.000 0.803 825 S HN 0.737 nan 8.310 nan 0.000 0.480 826 D N -0.596 119.932 120.400 0.214 0.000 2.623 826 D HA 0.612 5.252 4.640 0.000 0.000 0.241 826 D C -1.650 174.690 176.300 0.066 0.000 1.241 826 D CA -0.479 53.645 54.000 0.206 0.000 0.788 826 D CB 1.855 42.707 40.800 0.087 0.000 1.413 826 D HN 0.087 nan 8.370 nan 0.000 0.429 827 N N 0.253 118.745 118.700 -0.347 0.000 3.185 827 N HA 0.341 5.081 4.740 0.000 0.000 0.238 827 N C -1.197 173.952 175.510 -0.601 0.000 1.451 827 N CA -0.478 52.150 53.050 -0.703 0.000 0.888 827 N CB 0.720 38.519 38.487 -1.147 0.000 1.413 827 N HN 0.449 nan 8.380 nan 0.000 0.511 828 F N -0.132 119.438 119.950 -0.634 0.000 2.969 828 F HA -0.215 4.312 4.527 -0.000 0.000 0.273 828 F C -0.538 175.099 175.800 -0.271 0.000 0.986 828 F CA 0.653 58.404 58.000 -0.416 0.000 0.926 828 F CB -1.788 37.030 39.000 -0.303 0.000 0.887 828 F HN 0.324 nan 8.300 nan 0.000 0.816 829 F N -1.949 117.963 119.950 -0.063 0.000 2.577 829 F HA 0.738 5.265 4.527 0.000 0.000 0.318 829 F C -0.072 175.681 175.800 -0.079 0.000 1.065 829 F CA -2.171 55.793 58.000 -0.061 0.000 0.929 829 F CB 0.786 39.739 39.000 -0.078 0.000 1.237 829 F HN -0.158 nan 8.300 nan 0.000 0.468 830 D N 2.410 122.912 120.400 0.170 0.000 2.351 830 D HA 0.203 4.843 4.640 0.000 0.000 0.251 830 D C -0.679 175.721 176.300 0.167 0.000 1.137 830 D CA 0.073 54.111 54.000 0.063 0.000 0.879 830 D CB 2.068 42.866 40.800 -0.004 0.000 1.181 830 D HN 0.486 nan 8.370 nan 0.000 0.448 831 L N 3.885 125.150 121.223 0.069 0.000 2.261 831 L HA 0.231 4.571 4.340 0.000 0.000 0.289 831 L C -0.555 176.258 176.870 -0.094 0.000 1.059 831 L CA -0.304 54.560 54.840 0.040 0.000 0.816 831 L CB 0.359 42.425 42.059 0.011 0.000 1.191 831 L HN 0.224 nan 8.230 nan 0.000 0.431 832 L N 7.005 128.173 121.223 -0.093 0.000 2.395 832 L HA 0.415 4.755 4.340 0.000 0.000 0.269 832 L C -1.832 175.017 176.870 -0.036 0.000 1.133 832 L CA -2.027 52.759 54.840 -0.089 0.000 0.812 832 L CB 0.472 42.497 42.059 -0.055 0.000 1.125 832 L HN 0.482 nan 8.230 nan 0.000 0.452 833 P HA 0.005 nan 4.420 nan 0.000 0.262 833 P C 0.756 178.046 177.300 -0.018 0.000 1.199 833 P CA 0.612 63.711 63.100 -0.003 0.000 0.763 833 P CB 0.700 32.471 31.700 0.119 0.000 0.790 834 G N 2.709 111.407 108.800 -0.170 0.000 2.168 834 G HA2 -0.268 3.692 3.960 0.000 0.000 0.263 834 G HA3 -0.268 3.692 3.960 0.000 0.000 0.263 834 G C -0.108 174.897 174.900 0.175 0.000 0.977 834 G CA -0.087 45.051 45.100 0.063 0.000 0.659 834 G HN 0.605 nan 8.290 nan 0.000 0.533 835 E N 0.431 120.662 120.200 0.052 0.000 2.063 835 E HA 0.394 4.744 4.350 0.000 0.000 0.265 835 E C 0.550 177.201 176.600 0.084 0.000 0.919 835 E CA -0.771 55.678 56.400 0.083 0.000 0.756 835 E CB 1.032 30.758 29.700 0.043 0.000 1.120 835 E HN 0.376 nan 8.360 nan 0.000 0.414 836 R N 2.514 123.123 120.500 0.182 0.000 2.640 836 R HA 0.029 4.369 4.340 0.000 0.000 0.270 836 R C -0.361 175.972 176.300 0.055 0.000 1.024 836 R CA 0.394 56.607 56.100 0.189 0.000 1.085 836 R CB 0.440 30.844 30.300 0.174 0.000 0.963 836 R HN 0.152 nan 8.270 nan 0.000 0.426 837 K N 2.853 123.275 120.400 0.035 0.000 2.507 837 K HA 0.218 4.538 4.320 0.000 0.000 0.252 837 K C -1.524 175.054 176.600 -0.036 0.000 0.943 837 K CA -0.636 55.610 56.287 -0.069 0.000 0.808 837 K CB 1.302 33.687 32.500 -0.192 0.000 1.142 837 K HN 0.393 nan 8.250 nan 0.000 0.426 838 K N 3.482 123.850 120.400 -0.054 0.000 2.201 838 K HA 0.463 4.783 4.320 0.000 0.000 0.278 838 K C -1.225 175.353 176.600 -0.036 0.000 1.027 838 K CA -0.737 55.536 56.287 -0.022 0.000 0.909 838 K CB 1.125 33.616 32.500 -0.015 0.000 1.062 838 K HN 0.398 nan 8.250 nan 0.000 0.465 839 V N 6.266 126.184 119.914 0.006 0.000 2.531 839 V HA 0.408 4.528 4.120 0.000 0.000 0.301 839 V C -0.370 175.733 176.094 0.014 0.000 1.034 839 V CA -0.852 61.469 62.300 0.036 0.000 0.865 839 V CB 1.636 33.534 31.823 0.125 0.000 0.995 839 V HN 0.689 nan 8.190 nan 0.000 0.424 840 I N 5.604 126.176 120.570 0.003 0.000 2.359 840 I HA 0.507 4.677 4.170 0.000 0.000 0.294 840 I C -0.496 175.563 176.117 -0.096 0.000 0.987 840 I CA -0.314 60.962 61.300 -0.039 0.000 1.225 840 I CB 1.530 39.510 38.000 -0.034 0.000 1.366 840 I HN 0.400 nan 8.210 nan 0.000 0.466 841 I N 5.379 125.845 120.570 -0.173 0.000 2.389 841 I HA 0.345 4.515 4.170 0.000 0.000 0.288 841 I C -0.033 175.941 176.117 -0.240 0.000 0.999 841 I CA -0.451 60.644 61.300 -0.343 0.000 1.129 841 I CB 1.813 39.532 38.000 -0.467 0.000 1.288 841 I HN 0.567 nan 8.210 nan 0.000 0.444 842 T N 1.712 116.129 114.554 -0.229 0.000 2.855 842 T HA 0.714 5.064 4.350 0.000 0.000 0.281 842 T C -0.404 174.212 174.700 -0.141 0.000 1.007 842 T CA -0.839 61.173 62.100 -0.147 0.000 1.009 842 T CB 1.985 70.793 68.868 -0.100 0.000 0.983 842 T HN 0.571 nan 8.240 nan 0.000 0.455 843 S N 2.169 117.810 115.700 -0.098 0.000 2.560 843 S HA 0.474 4.944 4.470 0.000 0.000 0.283 843 S C -2.599 171.975 174.600 -0.043 0.000 1.141 843 S CA -1.026 57.132 58.200 -0.069 0.000 0.902 843 S CB 1.607 64.760 63.200 -0.078 0.000 1.104 843 S HN 0.441 nan 8.310 nan 0.000 0.454 844 P HA 0.042 nan 4.420 nan 0.000 0.223 844 P C 0.663 177.955 177.300 -0.013 0.000 1.144 844 P CA 0.747 63.840 63.100 -0.013 0.000 0.783 844 P CB 0.007 31.707 31.700 -0.001 0.000 0.771 845 R N -0.990 119.499 120.500 -0.017 0.000 2.310 845 R HA 0.185 4.525 4.340 0.000 0.000 0.202 845 R C 0.550 176.835 176.300 -0.025 0.000 0.933 845 R CA -0.022 56.069 56.100 -0.016 0.000 1.054 845 R CB -0.328 29.965 30.300 -0.012 0.000 0.985 845 R HN 0.246 nan 8.270 nan 0.000 0.489 846 I N 0.955 121.504 120.570 -0.035 0.000 2.395 846 I HA 0.275 4.445 4.170 0.000 0.000 0.289 846 I C 0.871 176.973 176.117 -0.026 0.000 1.023 846 I CA 0.288 61.566 61.300 -0.037 0.000 1.350 846 I CB 1.322 39.290 38.000 -0.054 0.000 1.409 846 I HN 0.155 nan 8.210 nan 0.000 0.507 847 K N 3.547 123.936 120.400 -0.020 0.000 2.860 847 K HA 0.404 4.724 4.320 0.000 0.000 0.302 847 K C 0.551 177.142 176.600 -0.015 0.000 2.811 847 K CA 0.074 56.349 56.287 -0.021 0.000 1.485 847 K CB -0.916 nan 32.500 nan 0.000 3.188 847 K HN 0.502 nan 8.250 nan 0.000 0.463 848 K N 1.427 121.820 120.400 -0.013 0.000 2.513 848 K HA 0.409 4.729 4.320 0.000 0.000 0.275 848 K C 1.299 177.894 176.600 -0.009 0.000 1.025 848 K CA 0.814 57.094 56.287 -0.010 0.000 1.125 848 K CB -1.701 30.794 32.500 -0.009 0.000 0.843 848 K HN 2.281 nan 8.250 nan 0.000 0.486 849 G N 2.835 111.630 108.800 -0.008 0.000 2.148 849 G HA2 -0.216 3.744 3.960 0.000 0.000 0.242 849 G HA3 -0.216 3.744 3.960 0.000 0.000 0.242 849 G C 0.083 174.979 174.900 -0.007 0.000 0.515 849 G CA 0.763 45.858 45.100 -0.008 0.000 1.030 849 G HN 0.914 nan 8.290 nan 0.000 0.423 850 E N 1.221 121.416 120.200 -0.008 0.000 2.159 850 E HA 0.431 4.781 4.350 0.000 0.000 0.272 850 E C 1.132 177.726 176.600 -0.011 0.000 1.138 850 E CA 0.369 56.764 56.400 -0.009 0.000 0.915 850 E CB 0.130 29.825 29.700 -0.009 0.000 1.028 850 E HN 0.732 nan 8.360 nan 0.000 0.423 851 E N 3.796 123.991 120.200 -0.008 0.000 2.417 851 E HA -0.005 4.345 4.350 0.000 0.000 0.261 851 E C -0.275 176.320 176.600 -0.009 0.000 1.000 851 E CA -0.366 56.032 56.400 -0.005 0.000 0.919 851 E CB 0.409 30.110 29.700 0.001 0.000 0.955 851 E HN 0.364 nan 8.360 nan 0.000 0.455 852 L N 5.069 126.283 121.223 -0.014 0.000 2.433 852 L HA 0.301 4.641 4.340 0.000 0.000 0.275 852 L C -2.221 174.635 176.870 -0.022 0.000 1.128 852 L CA -1.853 52.970 54.840 -0.028 0.000 0.875 852 L CB 0.780 42.810 42.059 -0.050 0.000 1.171 852 L HN 0.376 nan 8.230 nan 0.000 0.463 853 P HA 0.087 nan 4.420 nan 0.000 0.264 853 P C -1.212 176.052 177.300 -0.060 0.000 1.193 853 P CA 0.103 63.185 63.100 -0.029 0.000 0.763 853 P CB 0.584 32.265 31.700 -0.032 0.000 0.810 854 V N 3.812 123.690 119.914 -0.061 0.000 2.525 854 V HA 0.383 4.503 4.120 0.000 0.000 0.299 854 V C -0.234 175.771 176.094 -0.149 0.000 1.034 854 V CA -0.486 61.728 62.300 -0.143 0.000 0.863 854 V CB 1.844 33.548 31.823 -0.199 0.000 0.999 854 V HN 0.479 nan 8.190 nan 0.000 0.423 855 N N 4.827 123.384 118.700 -0.238 0.000 2.483 855 N HA 0.496 5.236 4.740 0.000 0.000 0.267 855 N C -1.030 174.257 175.510 -0.372 0.000 0.998 855 N CA -0.371 52.531 53.050 -0.247 0.000 0.918 855 N CB 1.069 39.416 38.487 -0.234 0.000 1.215 855 N HN 0.624 nan 8.380 nan 0.000 0.500 856 I N 3.295 123.687 120.570 -0.298 0.000 2.312 856 I HA 0.227 4.397 4.170 0.000 0.000 0.291 856 I C 0.365 176.291 176.117 -0.318 0.000 1.031 856 I CA -0.444 60.653 61.300 -0.338 0.000 1.293 856 I CB 0.668 38.527 38.000 -0.235 0.000 1.403 856 I HN 0.252 nan 8.210 nan 0.000 0.484 857 K N 5.755 125.869 120.400 -0.477 0.000 2.118 857 K HA 0.670 4.990 4.320 0.000 0.000 0.254 857 K C -0.869 175.448 176.600 -0.472 0.000 0.961 857 K CA -0.816 55.114 56.287 -0.596 0.000 0.876 857 K CB 1.767 33.673 32.500 -0.990 0.000 1.077 857 K HN 0.672 nan 8.250 nan 0.000 0.440 858 H N -1.909 116.927 119.070 -0.390 0.000 2.990 858 H HA 0.298 4.854 4.556 -0.000 0.000 0.336 858 H C 0.284 175.650 175.328 0.062 0.000 1.306 858 H CA -0.964 55.010 56.048 -0.123 0.000 1.118 858 H CB 0.426 30.104 29.762 -0.140 0.000 1.856 858 H HN 0.271 nan 8.280 nan 0.000 0.538 859 I N 0.099 120.815 120.570 0.245 0.000 2.315 859 I HA -0.120 4.050 4.170 0.000 0.000 0.248 859 I C 2.425 178.599 176.117 0.095 0.000 1.117 859 I CA 1.134 62.574 61.300 0.233 0.000 1.404 859 I CB -0.799 37.320 38.000 0.198 0.000 1.071 859 I HN 0.702 nan 8.210 nan 0.000 0.419 860 R N 1.981 122.481 120.500 -0.001 0.000 2.105 860 R HA -0.182 4.158 4.340 0.000 0.000 0.239 860 R C 1.899 177.861 176.300 -0.563 0.000 1.135 860 R CA 1.493 57.425 56.100 -0.279 0.000 0.967 860 R CB -0.485 29.787 30.300 -0.046 0.000 0.861 860 R HN 0.438 nan 8.270 nan 0.000 0.442 861 E N -0.805 119.088 120.200 -0.512 0.000 2.409 861 E HA -0.099 4.251 4.350 0.000 0.000 0.198 861 E C 0.972 177.403 176.600 -0.281 0.000 1.024 861 E CA 1.388 57.526 56.400 -0.436 0.000 0.861 861 E CB 0.017 29.404 29.700 -0.521 0.000 0.788 861 E HN 0.597 nan 8.360 nan 0.000 0.521 862 T N -1.739 112.696 114.554 -0.197 0.000 3.086 862 T HA 0.025 4.375 4.350 0.000 0.000 0.250 862 T C 0.154 174.923 174.700 0.115 0.000 1.074 862 T CA -0.311 61.798 62.100 0.015 0.000 0.988 862 T CB -0.267 68.699 68.868 0.164 0.000 0.988 862 T HN 0.220 nan 8.240 nan 0.000 0.530 863 Y N -1.074 119.230 120.300 0.007 0.000 2.588 863 Y HA 0.761 5.311 4.550 -0.000 0.000 0.343 863 Y C -0.789 175.119 175.900 0.013 0.000 1.065 863 Y CA -2.103 56.011 58.100 0.023 0.000 1.038 863 Y CB 1.491 39.972 38.460 0.035 0.000 1.297 863 Y HN -0.099 nan 8.280 nan 0.000 0.467 864 K N 2.070 122.594 120.400 0.207 0.000 2.307 864 K HA 0.282 4.602 4.320 0.000 0.000 0.263 864 K C -1.029 175.686 176.600 0.192 0.000 0.973 864 K CA -0.495 55.857 56.287 0.109 0.000 0.846 864 K CB 1.031 33.579 32.500 0.080 0.000 1.100 864 K HN 0.785 nan 8.250 nan 0.000 0.438 865 E N 3.154 123.421 120.200 0.112 0.000 2.331 865 E HA 0.104 4.454 4.350 0.000 0.000 0.272 865 E C -0.254 176.317 176.600 -0.049 0.000 1.036 865 E CA -0.184 56.275 56.400 0.099 0.000 0.864 865 E CB 1.030 30.766 29.700 0.061 0.000 1.035 865 E HN 0.536 nan 8.360 nan 0.000 0.408 866 H N 0.745 119.815 119.070 0.000 0.000 2.615 866 H HA 0.213 4.769 4.556 0.000 0.000 0.346 866 H C 0.542 175.846 175.328 -0.039 0.000 1.200 866 H CA -0.717 55.314 56.048 -0.028 0.000 1.264 866 H CB 1.175 30.951 29.762 0.022 0.000 1.699 866 H HN 0.448 nan 8.280 nan 0.000 0.567 867 H N 0.000 119.150 119.070 0.133 0.000 2.539 867 H HA 0.000 4.556 4.556 0.000 0.000 0.296 867 H CA 0.000 56.098 56.048 0.084 0.000 1.023 867 H CB 0.000 29.803 29.762 0.069 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496