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 3hxr_1_A DATA FIRST_RESID 0 DATA SEQUENCE SXACLSRIDA NLLQYYEKPE PNNTVDLYVS XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXGSEYSNC LLLSNSEYIC YHFSSRSTLL TFYPLSDAYH GKTINIHLPN DATA SEQUENCE ASXNQRYTLT IQEVEQQLLV NVILKDGSFL TLQLPLSFLF SSANTLNGEW DATA SEQUENCE FHLQNPYDFT VRVPHFLFYV SPQFSVVFLE DGGLLGLKKX XXXXXXXXXX DATA SEQUENCE XXXXYLKSLT RFFSRSSXXD YDSVISCKLF HERYLIVLTQ NCHLKIWDLT DATA SEQUENCE SFTLIQDYDX VSQSDSDPXX XXXXXXVGEY LSLYNNTLVT LLPLENGLFQ DATA SEQUENCE XGTXXXXXXX XXXXTFQNNI PTNLSASAIW SIVDLVLTRP LELNVEASYL DATA SEQUENCE NLIVLWKSGT ASKLQILNVN DESFKNYEWI ESVNKSLVDL QSEHDLDIVT DATA SEQUENCE KXXDVERGFC NLKSRYGTQI FERAQQILSE NKIIXAHNED EEYLANLETI DATA SEQUENCE LRDVKTAFNE ASSITLYGDE IILVNCFQPY NHSLYKLNTT VENWFYNXHS DATA SEQUENCE EXXXXELFKY LRTLNGFAST LSNDVLRSIS KKFLDIITGE LPDSXTTVEK DATA SEQUENCE FTDIFKNCLE NQFEITNLKI LFDELNSFDI PVVLNDLINN QXKPXXXXXX DATA SEQUENCE DFISAIKFDG FTSIISLESL HQLLSIHYRI TLQVLLTFVL FDLDTEIFGQ DATA SEQUENCE HISTLLDLHY KQFLLLNLYR QDKCLLAEVL LKDSSEFSFG VKFFNYGQLI DATA SEQUENCE AYIDSLNSNV YNASITENSF FXTFFRSYII E 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.621 174.600 0.035 0.000 1.055 0 S CA 0.000 58.218 58.200 0.030 0.000 1.107 0 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 3 C N 2.099 121.377 119.300 -0.038 0.000 3.183 3 C HA 0.487 4.947 4.460 -0.000 0.000 0.285 3 C C 0.298 175.230 174.990 -0.095 0.000 1.313 3 C CA 0.036 59.019 59.018 -0.058 0.000 1.711 3 C CB -1.569 26.136 27.740 -0.058 0.000 2.135 3 C HN 0.656 nan 8.230 nan 0.000 0.651 4 L N 0.901 122.066 121.223 -0.097 0.000 2.410 4 L HA 0.466 4.805 4.340 -0.000 0.000 0.270 4 L C -0.325 176.473 176.870 -0.120 0.000 0.983 4 L CA 0.133 54.921 54.840 -0.087 0.000 0.822 4 L CB 1.843 43.898 42.059 -0.007 0.000 1.285 4 L HN 0.001 nan 8.230 nan 0.000 0.409 5 S N 1.435 117.052 115.700 -0.139 0.000 2.646 5 S HA 0.581 5.051 4.470 -0.000 0.000 0.276 5 S C -0.314 174.189 174.600 -0.163 0.000 1.222 5 S CA -0.791 57.288 58.200 -0.202 0.000 1.014 5 S CB 1.949 65.082 63.200 -0.112 0.000 0.991 5 S HN 0.589 nan 8.310 nan 0.000 0.533 6 R N 1.098 121.455 120.500 -0.238 0.000 2.393 6 R HA 0.509 4.849 4.340 -0.000 0.000 0.310 6 R C -1.322 174.810 176.300 -0.280 0.000 0.968 6 R CA -0.429 55.377 56.100 -0.492 0.000 0.867 6 R CB 0.360 30.368 30.300 -0.488 0.000 1.124 6 R HN 0.544 nan 8.270 nan 0.000 0.450 7 I N 4.338 124.737 120.570 -0.285 0.000 2.439 7 I HA 0.233 4.403 4.170 -0.000 0.000 0.283 7 I C -0.895 175.149 176.117 -0.121 0.000 1.023 7 I CA -0.772 60.437 61.300 -0.152 0.000 1.100 7 I CB 1.611 39.533 38.000 -0.131 0.000 1.238 7 I HN 0.636 nan 8.210 nan 0.000 0.445 8 D N 5.967 126.326 120.400 -0.069 0.000 2.295 8 D HA 0.405 5.045 4.640 -0.000 0.000 0.248 8 D C 0.247 176.552 176.300 0.009 0.000 1.154 8 D CA -0.006 53.981 54.000 -0.022 0.000 0.857 8 D CB 2.196 42.992 40.800 -0.007 0.000 1.117 8 D HN 0.565 nan 8.370 nan 0.000 0.468 9 A N 3.540 126.399 122.820 0.064 0.000 2.322 9 A HA 0.178 4.498 4.320 -0.000 0.000 0.327 9 A C 0.223 177.892 177.584 0.142 0.000 1.394 9 A CA -0.749 51.340 52.037 0.086 0.000 0.921 9 A CB 0.076 19.180 19.000 0.174 0.000 1.153 9 A HN 0.515 nan 8.150 nan 0.000 0.523 10 N N 3.567 122.315 118.700 0.080 0.000 2.406 10 N HA 0.195 4.935 4.740 -0.000 0.000 0.251 10 N C 0.682 176.230 175.510 0.064 0.000 1.069 10 N CA -0.391 52.726 53.050 0.111 0.000 0.947 10 N CB 0.670 39.224 38.487 0.111 0.000 1.111 10 N HN 0.672 nan 8.380 nan 0.000 0.497 11 L N 3.456 124.763 121.223 0.140 0.000 2.191 11 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 11 L C 1.644 178.538 176.870 0.039 0.000 1.103 11 L CA 1.011 55.913 54.840 0.104 0.000 0.769 11 L CB -0.038 42.139 42.059 0.195 0.000 0.908 11 L HN 0.632 nan 8.230 nan 0.000 0.438 12 L N -0.783 120.449 121.223 0.016 0.000 2.592 12 L HA 0.000 4.340 4.340 -0.000 0.000 0.227 12 L C 2.234 179.168 176.870 0.106 0.000 1.127 12 L CA -0.131 54.747 54.840 0.062 0.000 0.884 12 L CB -0.180 41.845 42.059 -0.057 0.000 1.065 12 L HN 0.234 nan 8.230 nan 0.000 0.457 13 Q N 0.752 120.570 119.800 0.030 0.000 2.061 13 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 13 Q C 1.996 178.059 176.000 0.105 0.000 0.984 13 Q CA 2.079 57.906 55.803 0.040 0.000 0.846 13 Q CB -0.290 28.444 28.738 -0.007 0.000 0.902 13 Q HN 0.568 nan 8.270 nan 0.000 0.421 14 Y N -1.112 119.016 120.300 -0.287 0.000 2.333 14 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 14 Y C 0.176 175.579 175.900 -0.828 0.000 1.144 14 Y CA -0.450 57.293 58.100 -0.594 0.000 1.228 14 Y CB 0.047 38.098 38.460 -0.682 0.000 0.985 14 Y HN 0.114 nan 8.280 nan 0.000 0.542 15 Y N 0.601 120.809 120.300 -0.153 0.000 2.301 15 Y HA 0.060 4.610 4.550 -0.000 0.000 0.328 15 Y C 1.006 176.789 175.900 -0.195 0.000 1.242 15 Y CA -0.641 57.244 58.100 -0.358 0.000 1.323 15 Y CB 0.417 38.305 38.460 -0.952 0.000 1.266 15 Y HN -0.094 nan 8.280 nan 0.000 0.527 16 E N 0.818 120.998 120.200 -0.034 0.000 2.419 16 E HA 0.206 4.556 4.350 -0.000 0.000 0.190 16 E C -0.467 176.157 176.600 0.041 0.000 1.040 16 E CA -0.041 56.349 56.400 -0.016 0.000 0.900 16 E CB -0.040 29.641 29.700 -0.032 0.000 1.054 16 E HN 0.602 nan 8.360 nan 0.000 0.462 17 K N 2.019 122.473 120.400 0.091 0.000 2.731 17 K HA 0.289 4.609 4.320 -0.000 0.000 0.257 17 K C -3.147 173.567 176.600 0.190 0.000 1.032 17 K CA -1.473 54.899 56.287 0.141 0.000 0.983 17 K CB 1.002 33.603 32.500 0.169 0.000 1.248 17 K HN -0.068 nan 8.250 nan 0.000 0.484 18 P HA 0.407 nan 4.420 nan 0.000 0.296 18 P C -0.856 176.466 177.300 0.037 0.000 1.301 18 P CA -0.198 62.940 63.100 0.062 0.000 0.862 18 P CB 1.564 33.311 31.700 0.079 0.000 1.046 19 E N 3.879 124.065 120.200 -0.023 0.000 3.262 19 E HA 0.428 4.778 4.350 -0.000 0.000 0.257 19 E C -2.104 174.351 176.600 -0.243 0.000 1.195 19 E CA -2.146 54.171 56.400 -0.139 0.000 1.160 19 E CB -1.043 28.601 29.700 -0.094 0.000 1.416 19 E HN 0.388 nan 8.360 nan 0.000 0.630 20 P HA -0.084 nan 4.420 nan 0.000 0.269 20 P C -0.183 176.816 177.300 -0.501 0.000 1.209 20 P CA 0.322 63.039 63.100 -0.638 0.000 0.776 20 P CB 0.312 31.732 31.700 -0.467 0.000 0.876 21 N N 1.672 119.974 118.700 -0.663 0.000 2.223 21 N HA -0.202 4.538 4.740 -0.000 0.000 0.185 21 N C 0.297 175.680 175.510 -0.212 0.000 1.016 21 N CA 0.519 53.355 53.050 -0.356 0.000 0.863 21 N CB -0.290 38.009 38.487 -0.314 0.000 0.983 21 N HN 0.262 nan 8.380 nan 0.000 0.429 22 N N 1.009 119.577 118.700 -0.220 0.000 2.558 22 N HA 0.124 4.864 4.740 -0.000 0.000 0.242 22 N C -1.562 173.881 175.510 -0.113 0.000 0.979 22 N CA -0.381 52.589 53.050 -0.133 0.000 0.931 22 N CB 1.311 39.728 38.487 -0.118 0.000 1.122 22 N HN 0.253 nan 8.380 nan 0.000 0.508 23 T N 0.247 114.759 114.554 -0.071 0.000 2.824 23 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 23 T C -0.566 174.126 174.700 -0.014 0.000 0.993 23 T CA -0.622 61.454 62.100 -0.040 0.000 0.967 23 T CB 0.873 69.733 68.868 -0.015 0.000 0.960 23 T HN -0.023 nan 8.240 nan 0.000 0.441 24 V N 3.081 122.985 119.914 -0.017 0.000 2.483 24 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 24 V C -0.532 175.582 176.094 0.034 0.000 1.035 24 V CA -0.685 61.628 62.300 0.021 0.000 0.896 24 V CB 1.635 33.476 31.823 0.029 0.000 0.986 24 V HN 0.963 nan 8.190 nan 0.000 0.447 25 D N 4.273 124.717 120.400 0.073 0.000 2.472 25 D HA 0.489 5.129 4.640 -0.000 0.000 0.234 25 D C -0.473 175.860 176.300 0.056 0.000 1.088 25 D CA -0.086 53.944 54.000 0.051 0.000 0.882 25 D CB 0.946 41.799 40.800 0.089 0.000 1.037 25 D HN 0.343 nan 8.370 nan 0.000 0.520 26 L N 2.506 123.741 121.223 0.020 0.000 2.312 26 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 26 L C -0.314 176.655 176.870 0.165 0.000 1.070 26 L CA -0.762 54.170 54.840 0.153 0.000 0.805 26 L CB 0.468 42.495 42.059 -0.054 0.000 1.174 26 L HN 0.265 nan 8.230 nan 0.000 0.434 27 Y N 1.294 121.823 120.300 0.381 0.000 2.567 27 Y HA 0.554 5.104 4.550 -0.000 0.000 0.333 27 Y C 0.162 176.367 175.900 0.507 0.000 1.106 27 Y CA -0.981 57.325 58.100 0.344 0.000 1.157 27 Y CB 2.131 40.677 38.460 0.143 0.000 1.277 27 Y HN 0.272 nan 8.280 nan 0.000 0.490 28 V N -0.083 120.182 119.914 0.584 0.000 2.380 28 V HA 0.810 4.930 4.120 -0.000 0.000 0.272 28 V C -0.397 175.739 176.094 0.071 0.000 1.011 28 V CA -0.305 62.358 62.300 0.605 0.000 0.826 28 V CB 0.234 32.608 31.823 0.917 0.000 1.040 28 V HN 0.846 nan 8.190 nan 0.000 0.441 54 S N -2.002 113.584 115.700 -0.189 0.000 2.636 54 S HA 0.585 5.055 4.470 -0.000 0.000 0.266 54 S C -0.265 173.968 174.600 -0.611 0.000 1.147 54 S CA -0.160 57.874 58.200 -0.276 0.000 0.815 54 S CB 1.730 64.855 63.200 -0.124 0.000 1.119 54 S HN 0.666 nan 8.310 nan 0.000 0.470 55 E N -0.527 119.374 120.200 -0.498 0.000 2.505 55 E HA 0.250 4.600 4.350 -0.000 0.000 0.212 55 E C -1.183 175.226 176.600 -0.319 0.000 0.825 55 E CA 0.055 56.144 56.400 -0.518 0.000 1.333 55 E CB 1.537 31.085 29.700 -0.253 0.000 1.319 55 E HN 0.500 nan 8.360 nan 0.000 0.658 56 Y N 0.213 120.322 120.300 -0.318 0.000 2.521 56 Y HA 0.363 4.913 4.550 -0.000 0.000 0.328 56 Y C -1.871 173.849 175.900 -0.301 0.000 1.151 56 Y CA -0.610 57.367 58.100 -0.206 0.000 1.054 56 Y CB 2.051 40.401 38.460 -0.184 0.000 1.338 56 Y HN -0.231 nan 8.280 nan 0.000 0.453 57 S N 5.062 120.052 115.700 -1.183 0.000 2.619 57 S HA 0.483 4.953 4.470 -0.000 0.000 0.280 57 S C -1.562 172.259 174.600 -1.297 0.000 1.150 57 S CA -0.863 56.605 58.200 -1.220 0.000 0.978 57 S CB 1.601 64.185 63.200 -1.027 0.000 1.041 57 S HN 0.681 nan 8.310 nan 0.000 0.485 58 N N 0.200 118.104 118.700 -1.327 0.000 3.157 58 N HA 0.593 5.333 4.740 -0.000 0.000 0.291 58 N C -1.835 173.183 175.510 -0.819 0.000 1.515 58 N CA -0.476 51.992 53.050 -0.970 0.000 0.807 58 N CB 2.035 40.067 38.487 -0.758 0.000 1.672 58 N HN 0.621 nan 8.380 nan 0.000 0.592 59 C N 1.971 121.031 119.300 -0.399 0.000 2.442 59 C HA 0.485 4.945 4.460 -0.000 0.000 0.335 59 C C -0.808 174.225 174.990 0.072 0.000 1.134 59 C CA -0.798 58.119 59.018 -0.169 0.000 1.344 59 C CB -0.247 27.386 27.740 -0.178 0.000 1.956 59 C HN 0.473 nan 8.230 nan 0.000 0.438 60 L N 5.471 126.792 121.223 0.162 0.000 2.289 60 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 60 L C -0.468 176.418 176.870 0.027 0.000 1.049 60 L CA -0.273 54.654 54.840 0.145 0.000 0.804 60 L CB 1.363 43.521 42.059 0.165 0.000 1.195 60 L HN 0.655 nan 8.230 nan 0.000 0.428 61 L N 5.643 126.805 121.223 -0.101 0.000 2.305 61 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 61 L C -0.505 176.208 176.870 -0.262 0.000 1.085 61 L CA 0.072 54.662 54.840 -0.416 0.000 0.813 61 L CB 1.040 42.798 42.059 -0.501 0.000 1.157 61 L HN 0.530 nan 8.230 nan 0.000 0.436 62 L N 3.042 124.100 121.223 -0.274 0.000 2.376 62 L HA 0.455 4.795 4.340 -0.000 0.000 0.267 62 L C 1.483 178.243 176.870 -0.184 0.000 1.035 62 L CA -0.223 54.516 54.840 -0.168 0.000 0.800 62 L CB 1.520 43.530 42.059 -0.082 0.000 1.290 62 L HN 0.795 nan 8.230 nan 0.000 0.462 63 S N 0.838 116.455 115.700 -0.138 0.000 2.370 63 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 63 S C 0.761 175.270 174.600 -0.152 0.000 1.033 63 S CA 1.210 59.332 58.200 -0.130 0.000 1.011 63 S CB -0.549 62.591 63.200 -0.100 0.000 0.852 63 S HN 0.838 nan 8.310 nan 0.000 0.457 64 N N 0.909 119.501 118.700 -0.178 0.000 2.424 64 N HA 0.193 4.933 4.740 -0.000 0.000 0.257 64 N C -0.874 174.500 175.510 -0.226 0.000 1.250 64 N CA -0.262 52.664 53.050 -0.206 0.000 0.946 64 N CB 0.314 38.632 38.487 -0.281 0.000 1.175 64 N HN 0.025 nan 8.380 nan 0.000 0.477 65 S N -0.116 115.460 115.700 -0.207 0.000 3.919 65 S HA 0.153 4.623 4.470 -0.000 0.000 0.245 65 S C -0.529 173.942 174.600 -0.215 0.000 1.344 65 S CA -0.226 57.844 58.200 -0.216 0.000 0.896 65 S CB -1.164 61.953 63.200 -0.139 0.000 1.557 65 S HN 0.617 nan 8.310 nan 0.000 0.468 66 E N 1.139 121.174 120.200 -0.276 0.000 2.343 66 E HA 0.417 4.767 4.350 -0.000 0.000 0.278 66 E C -1.769 174.706 176.600 -0.209 0.000 0.910 66 E CA -0.589 55.716 56.400 -0.159 0.000 0.757 66 E CB 1.097 30.721 29.700 -0.126 0.000 1.218 66 E HN 0.357 nan 8.360 nan 0.000 0.435 67 Y N 3.183 123.491 120.300 0.014 0.000 2.326 67 Y HA 0.413 4.963 4.550 -0.000 0.000 0.337 67 Y C -0.066 175.833 175.900 -0.002 0.000 1.023 67 Y CA -0.579 57.507 58.100 -0.022 0.000 1.143 67 Y CB 0.975 39.387 38.460 -0.079 0.000 1.183 67 Y HN 0.376 nan 8.280 nan 0.000 0.485 68 I N 3.881 124.520 120.570 0.115 0.000 2.441 68 I HA 0.387 4.557 4.170 -0.000 0.000 0.295 68 I C -0.880 175.211 176.117 -0.043 0.000 0.994 68 I CA -0.572 60.748 61.300 0.034 0.000 1.144 68 I CB 1.090 39.133 38.000 0.072 0.000 1.314 68 I HN 0.628 nan 8.210 nan 0.000 0.445 69 C N 7.260 126.391 119.300 -0.280 0.000 2.435 69 C HA 0.641 5.100 4.460 -0.000 0.000 0.333 69 C C -0.453 174.280 174.990 -0.428 0.000 1.202 69 C CA -0.589 58.166 59.018 -0.439 0.000 1.830 69 C CB 0.880 28.161 27.740 -0.766 0.000 2.326 69 C HN 0.674 nan 8.230 nan 0.000 0.507 70 Y N -0.393 119.609 120.300 -0.497 0.000 2.536 70 Y HA 0.756 5.306 4.550 -0.000 0.000 0.347 70 Y C -0.185 175.475 175.900 -0.400 0.000 1.000 70 Y CA -0.928 56.802 58.100 -0.617 0.000 1.051 70 Y CB 0.986 38.965 38.460 -0.802 0.000 1.259 70 Y HN 0.643 nan 8.280 nan 0.000 0.468 71 H N 1.733 120.618 119.070 -0.309 0.000 2.851 71 H HA 0.424 4.980 4.556 -0.000 0.000 0.372 71 H C -2.028 173.233 175.328 -0.111 0.000 1.158 71 H CA -0.840 55.088 56.048 -0.200 0.000 1.159 71 H CB 2.903 32.538 29.762 -0.212 0.000 1.757 71 H HN 0.663 nan 8.280 nan 0.000 0.546 72 F N 2.149 122.079 119.950 -0.032 0.000 2.493 72 F HA 0.273 4.800 4.527 -0.000 0.000 0.329 72 F C -0.330 175.421 175.800 -0.081 0.000 1.126 72 F CA -0.780 57.192 58.000 -0.047 0.000 0.937 72 F CB 1.763 40.748 39.000 -0.026 0.000 1.146 72 F HN 0.387 nan 8.300 nan 0.000 0.442 73 S N 3.218 119.105 115.700 0.311 0.000 2.605 73 S HA 0.530 5.000 4.470 -0.000 0.000 0.308 73 S C -0.337 174.334 174.600 0.120 0.000 1.113 73 S CA 0.077 58.349 58.200 0.121 0.000 1.049 73 S CB 1.034 64.241 63.200 0.011 0.000 1.001 73 S HN 1.688 nan 8.310 nan 0.000 0.480 74 S N 0.215 115.936 115.700 0.035 0.000 3.797 74 S HA -0.188 4.282 4.470 -0.000 0.000 0.374 74 S C 0.593 175.208 174.600 0.025 0.000 0.970 74 S CA 0.879 59.088 58.200 0.015 0.000 1.177 74 S CB -2.682 60.536 63.200 0.029 0.000 0.891 74 S HN 1.889 nan 8.310 nan 0.000 0.491 75 R N -0.543 119.940 120.500 -0.028 0.000 2.393 75 R HA 0.724 5.064 4.340 -0.000 0.000 0.244 75 R C 0.906 177.059 176.300 -0.246 0.000 0.920 75 R CA 1.054 57.033 56.100 -0.201 0.000 1.076 75 R CB -0.393 29.742 30.300 -0.275 0.000 1.119 75 R HN 2.121 nan 8.270 nan 0.000 0.524 76 S N -3.491 112.347 115.700 0.230 0.000 2.757 76 S HA 0.494 4.964 4.470 -0.000 0.000 0.285 76 S C 0.623 175.429 174.600 0.343 0.000 1.196 76 S CA 1.197 59.824 58.200 0.712 0.000 0.856 76 S CB 1.016 64.424 63.200 0.348 0.000 1.212 76 S HN 1.509 nan 8.310 nan 0.000 0.516 77 T N -1.426 113.267 114.554 0.232 0.000 5.979 77 T HA -0.155 4.195 4.350 -0.000 0.000 0.273 77 T C -0.360 174.350 174.700 0.017 0.000 2.195 77 T CA 0.997 63.174 62.100 0.128 0.000 3.693 77 T CB -2.023 66.923 68.868 0.131 0.000 0.944 77 T HN 1.658 nan 8.240 nan 0.000 1.117 78 L N 0.763 121.974 121.223 -0.019 0.000 2.543 78 L HA 0.800 5.140 4.340 -0.000 0.000 0.265 78 L C -1.233 175.399 176.870 -0.396 0.000 0.945 78 L CA -1.038 53.680 54.840 -0.203 0.000 0.869 78 L CB 1.755 43.726 42.059 -0.147 0.000 1.294 78 L HN 0.543 nan 8.230 nan 0.000 0.405 79 L N 3.005 123.989 121.223 -0.398 0.000 2.422 79 L HA 0.767 5.107 4.340 -0.000 0.000 0.264 79 L C -0.516 176.243 176.870 -0.185 0.000 0.984 79 L CA -0.287 54.303 54.840 -0.417 0.000 0.819 79 L CB 2.646 44.478 42.059 -0.379 0.000 1.330 79 L HN 0.789 nan 8.230 nan 0.000 0.410 80 T N -0.312 114.118 114.554 -0.206 0.000 2.883 80 T HA 0.707 5.057 4.350 -0.000 0.000 0.301 80 T C -1.111 173.487 174.700 -0.170 0.000 1.158 80 T CA -0.503 61.585 62.100 -0.021 0.000 1.007 80 T CB 1.728 70.555 68.868 -0.068 0.000 1.186 80 T HN 0.255 nan 8.240 nan 0.000 0.499 81 F N 1.352 121.243 119.950 -0.098 0.000 2.599 81 F HA 0.772 5.299 4.527 -0.000 0.000 0.311 81 F C -0.935 174.831 175.800 -0.056 0.000 1.076 81 F CA -1.169 56.743 58.000 -0.146 0.000 0.937 81 F CB 2.255 41.138 39.000 -0.195 0.000 1.282 81 F HN 0.866 nan 8.300 nan 0.000 0.460 82 Y N -0.169 120.183 120.300 0.087 0.000 2.592 82 Y HA 0.648 5.198 4.550 -0.000 0.000 0.334 82 Y C -3.367 172.550 175.900 0.027 0.000 1.136 82 Y CA -3.422 54.703 58.100 0.041 0.000 1.042 82 Y CB 0.797 39.343 38.460 0.143 0.000 1.325 82 Y HN 0.185 nan 8.280 nan 0.000 0.457 83 P HA 0.046 nan 4.420 nan 0.000 0.276 83 P C 0.419 177.876 177.300 0.261 0.000 1.230 83 P CA -0.293 62.891 63.100 0.141 0.000 0.776 83 P CB 1.997 33.785 31.700 0.148 0.000 0.888 84 L N 3.618 124.936 121.223 0.158 0.000 2.093 84 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 84 L C 2.174 179.117 176.870 0.122 0.000 1.085 84 L CA 2.045 56.934 54.840 0.083 0.000 0.755 84 L CB -1.204 40.761 42.059 -0.157 0.000 0.904 84 L HN 0.287 nan 8.230 nan 0.000 0.435 85 S N -1.284 114.500 115.700 0.140 0.000 2.368 85 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 85 S C 0.884 175.515 174.600 0.052 0.000 1.029 85 S CA 1.222 59.480 58.200 0.097 0.000 0.988 85 S CB -0.272 62.978 63.200 0.083 0.000 0.838 85 S HN 0.527 nan 8.310 nan 0.000 0.462 86 D N 0.054 120.527 120.400 0.121 0.000 2.613 86 D HA 0.631 5.271 4.640 -0.000 0.000 0.312 86 D C 0.665 177.041 176.300 0.125 0.000 1.202 86 D CA -0.051 54.034 54.000 0.142 0.000 0.825 86 D CB 0.326 41.231 40.800 0.176 0.000 1.113 86 D HN 0.104 nan 8.370 nan 0.000 0.502 87 A N 1.000 123.887 122.820 0.111 0.000 1.933 87 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 87 A C 1.795 179.279 177.584 -0.167 0.000 1.175 87 A CA 1.126 53.172 52.037 0.016 0.000 0.628 87 A CB -0.604 18.381 19.000 -0.024 0.000 0.814 87 A HN 0.573 nan 8.150 nan 0.000 0.444 88 Y N -0.550 119.547 120.300 -0.339 0.000 2.206 88 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 88 Y C 2.445 178.016 175.900 -0.548 0.000 1.123 88 Y CA 2.030 59.767 58.100 -0.605 0.000 1.142 88 Y CB -0.055 37.709 38.460 -1.161 0.000 1.006 88 Y HN 0.473 nan 8.280 nan 0.000 0.518 89 H N -0.993 117.978 119.070 -0.164 0.000 2.562 89 H HA 0.245 4.801 4.556 -0.000 0.000 0.267 89 H C 1.148 176.399 175.328 -0.129 0.000 0.959 89 H CA 0.555 56.499 56.048 -0.174 0.000 1.204 89 H CB -0.300 29.448 29.762 -0.024 0.000 1.430 89 H HN 0.292 nan 8.280 nan 0.000 0.545 90 G N 1.522 110.335 108.800 0.021 0.000 2.634 90 G HA2 0.260 4.220 3.960 -0.000 0.000 0.255 90 G HA3 0.260 4.220 3.960 -0.000 0.000 0.255 90 G C -0.076 174.777 174.900 -0.080 0.000 1.205 90 G CA -0.574 44.525 45.100 -0.001 0.000 0.884 90 G HN 0.263 nan 8.290 nan 0.000 0.549 91 K N -0.535 119.799 120.400 -0.109 0.000 2.274 91 K HA 0.514 4.834 4.320 -0.000 0.000 0.262 91 K C -0.105 176.433 176.600 -0.103 0.000 0.961 91 K CA -0.627 55.581 56.287 -0.132 0.000 0.833 91 K CB 1.507 33.900 32.500 -0.178 0.000 1.102 91 K HN 0.518 nan 8.250 nan 0.000 0.436 92 T N 1.297 115.837 114.554 -0.023 0.000 2.910 92 T HA 0.393 4.743 4.350 -0.000 0.000 0.293 92 T C 0.231 174.919 174.700 -0.019 0.000 1.015 92 T CA -0.746 61.396 62.100 0.070 0.000 1.094 92 T CB 0.254 69.222 68.868 0.166 0.000 0.968 92 T HN 0.582 nan 8.240 nan 0.000 0.521 93 I N 3.279 123.847 120.570 -0.004 0.000 2.382 93 I HA 0.304 4.474 4.170 -0.000 0.000 0.285 93 I C -0.351 175.775 176.117 0.014 0.000 1.007 93 I CA -1.054 60.206 61.300 -0.068 0.000 1.142 93 I CB 1.210 39.066 38.000 -0.239 0.000 1.289 93 I HN 0.590 nan 8.210 nan 0.000 0.453 94 N N 7.714 126.395 118.700 -0.031 0.000 2.434 94 N HA 0.483 5.223 4.740 -0.000 0.000 0.272 94 N C -0.581 174.863 175.510 -0.111 0.000 1.040 94 N CA -0.193 52.807 53.050 -0.084 0.000 0.956 94 N CB 2.041 40.465 38.487 -0.105 0.000 1.108 94 N HN 0.493 nan 8.380 nan 0.000 0.481 95 I N 3.314 123.799 120.570 -0.143 0.000 2.428 95 I HA 0.137 4.307 4.170 -0.000 0.000 0.279 95 I C 0.352 176.401 176.117 -0.112 0.000 1.040 95 I CA -0.584 60.657 61.300 -0.098 0.000 1.171 95 I CB 0.460 38.404 38.000 -0.093 0.000 1.312 95 I HN 0.299 nan 8.210 nan 0.000 0.470 96 H N 6.180 125.172 119.070 -0.131 0.000 2.690 96 H HA 0.422 4.978 4.556 -0.000 0.000 0.365 96 H C -0.434 174.939 175.328 0.075 0.000 1.142 96 H CA -0.015 55.994 56.048 -0.065 0.000 1.417 96 H CB 1.774 31.439 29.762 -0.161 0.000 1.446 96 H HN 0.379 nan 8.280 nan 0.000 0.599 97 L N 2.555 123.899 121.223 0.201 0.000 2.381 97 L HA 0.200 4.540 4.340 -0.000 0.000 0.268 97 L C -1.514 175.466 176.870 0.183 0.000 0.997 97 L CA -1.931 53.022 54.840 0.188 0.000 0.818 97 L CB 2.535 44.678 42.059 0.141 0.000 1.310 97 L HN 0.434 nan 8.230 nan 0.000 0.416 98 P HA -0.032 nan 4.420 nan 0.000 0.215 98 P C -0.361 177.003 177.300 0.105 0.000 1.157 98 P CA 1.162 64.335 63.100 0.121 0.000 0.863 98 P CB 0.303 32.054 31.700 0.085 0.000 0.787 99 N N -1.671 117.093 118.700 0.106 0.000 2.284 99 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 99 N C -0.828 174.748 175.510 0.110 0.000 1.179 99 N CA -0.602 52.505 53.050 0.095 0.000 0.774 99 N CB 2.409 40.941 38.487 0.076 0.000 1.548 99 N HN -0.084 nan 8.380 nan 0.000 0.473 100 A N 0.695 123.573 122.820 0.097 0.000 2.429 100 A HA 0.266 4.586 4.320 -0.000 0.000 0.242 100 A C 0.941 178.579 177.584 0.089 0.000 1.088 100 A CA 0.063 52.160 52.037 0.099 0.000 0.784 100 A CB 0.142 19.177 19.000 0.059 0.000 1.038 100 A HN 0.599 nan 8.150 nan 0.000 0.501 104 Q N 2.461 122.215 119.800 -0.078 0.000 2.757 104 Q HA -0.141 4.199 4.340 -0.000 0.000 0.366 104 Q C 0.682 176.404 176.000 -0.463 0.000 1.083 104 Q CA 1.245 56.858 55.803 -0.317 0.000 1.146 104 Q CB 0.343 28.874 28.738 -0.345 0.000 1.060 104 Q HN 0.772 nan 8.270 nan 0.000 0.416 105 R N 1.576 121.676 120.500 -0.666 0.000 3.977 105 R HA -0.285 4.055 4.340 -0.000 0.000 0.428 105 R C -0.722 175.170 176.300 -0.679 0.000 1.079 105 R CA 2.365 58.049 56.100 -0.693 0.000 1.269 105 R CB -2.568 27.226 30.300 -0.843 0.000 1.856 105 R HN 0.688 nan 8.270 nan 0.000 0.551 106 Y N 0.013 120.124 120.300 -0.316 0.000 2.507 106 Y HA 0.283 4.833 4.550 -0.000 0.000 0.263 106 Y C 1.498 177.180 175.900 -0.364 0.000 1.093 106 Y CA 1.052 58.928 58.100 -0.372 0.000 1.285 106 Y CB 0.688 38.970 38.460 -0.295 0.000 1.115 106 Y HN 0.413 nan 8.280 nan 0.000 0.533 107 T N -0.984 113.519 114.554 -0.085 0.000 3.268 107 T HA 0.425 4.775 4.350 -0.000 0.000 0.244 107 T C -0.394 174.292 174.700 -0.022 0.000 0.915 107 T CA -0.101 61.985 62.100 -0.023 0.000 0.935 107 T CB -0.667 68.237 68.868 0.060 0.000 1.110 107 T HN -0.003 nan 8.240 nan 0.000 0.573 108 L N 1.417 122.590 121.223 -0.084 0.000 2.354 108 L HA 0.861 5.201 4.340 -0.000 0.000 0.264 108 L C -0.633 176.182 176.870 -0.092 0.000 1.008 108 L CA -0.154 54.659 54.840 -0.045 0.000 0.819 108 L CB 2.550 44.622 42.059 0.022 0.000 1.339 108 L HN 0.425 nan 8.230 nan 0.000 0.420 109 T N 1.562 116.060 114.554 -0.093 0.000 2.993 109 T HA 0.719 5.069 4.350 -0.000 0.000 0.312 109 T C -1.214 173.367 174.700 -0.197 0.000 1.115 109 T CA -0.465 61.557 62.100 -0.131 0.000 1.027 109 T CB 1.168 70.005 68.868 -0.053 0.000 1.116 109 T HN 0.313 nan 8.240 nan 0.000 0.464 110 I N 2.375 122.773 120.570 -0.286 0.000 2.447 110 I HA 0.697 4.867 4.170 -0.000 0.000 0.287 110 I C -0.193 175.699 176.117 -0.374 0.000 1.023 110 I CA -0.273 60.824 61.300 -0.338 0.000 1.083 110 I CB 1.849 39.535 38.000 -0.524 0.000 1.245 110 I HN 0.811 nan 8.210 nan 0.000 0.434 111 Q N 3.086 122.660 119.800 -0.377 0.000 2.462 111 Q HA 0.498 4.838 4.340 -0.000 0.000 0.285 111 Q C -1.335 174.505 176.000 -0.267 0.000 1.035 111 Q CA -0.769 54.760 55.803 -0.457 0.000 0.799 111 Q CB 2.586 30.723 28.738 -1.002 0.000 1.452 111 Q HN 0.553 nan 8.270 nan 0.000 0.404 112 E N 1.794 121.871 120.200 -0.205 0.000 2.129 112 E HA 0.539 4.889 4.350 -0.000 0.000 0.268 112 E C -1.448 175.106 176.600 -0.077 0.000 0.900 112 E CA -0.631 55.698 56.400 -0.119 0.000 0.755 112 E CB 1.037 30.678 29.700 -0.100 0.000 1.117 112 E HN 0.418 nan 8.360 nan 0.000 0.410 113 V N 2.735 122.620 119.914 -0.049 0.000 2.588 113 V HA 0.306 4.426 4.120 -0.000 0.000 0.304 113 V C -0.092 175.989 176.094 -0.021 0.000 1.042 113 V CA -0.932 61.358 62.300 -0.016 0.000 0.877 113 V CB 1.317 33.150 31.823 0.015 0.000 0.996 113 V HN 0.926 nan 8.190 nan 0.000 0.425 114 E N 2.478 122.667 120.200 -0.018 0.000 2.252 114 E HA -0.246 4.104 4.350 -0.000 0.000 0.218 114 E C -0.094 176.492 176.600 -0.024 0.000 1.253 114 E CA 0.333 56.722 56.400 -0.019 0.000 0.705 114 E CB -0.936 28.756 29.700 -0.013 0.000 1.172 114 E HN 0.893 nan 8.360 nan 0.000 0.369 115 Q N -1.052 118.730 119.800 -0.030 0.000 2.452 115 Q HA -0.234 4.106 4.340 -0.000 0.000 0.318 115 Q C -0.681 175.305 176.000 -0.024 0.000 1.386 115 Q CA 1.915 57.702 55.803 -0.027 0.000 0.872 115 Q CB -0.845 27.880 28.738 -0.023 0.000 1.151 115 Q HN 0.641 nan 8.270 nan 0.000 0.417 116 Q N -0.370 119.409 119.800 -0.035 0.000 2.364 116 Q HA 0.412 4.752 4.340 -0.000 0.000 0.257 116 Q C -1.331 174.626 176.000 -0.071 0.000 0.956 116 Q CA -0.568 55.205 55.803 -0.049 0.000 0.924 116 Q CB 1.083 29.794 28.738 -0.045 0.000 1.413 116 Q HN 0.374 nan 8.270 nan 0.000 0.418 117 L N 4.845 126.008 121.223 -0.099 0.000 2.361 117 L HA 0.317 4.657 4.340 -0.000 0.000 0.278 117 L C -0.594 176.198 176.870 -0.130 0.000 1.113 117 L CA -0.060 54.706 54.840 -0.124 0.000 0.849 117 L CB 0.396 42.361 42.059 -0.157 0.000 1.155 117 L HN 0.537 nan 8.230 nan 0.000 0.452 118 L N 5.475 126.624 121.223 -0.124 0.000 2.272 118 L HA 0.494 4.834 4.340 -0.000 0.000 0.289 118 L C -0.529 176.268 176.870 -0.121 0.000 1.032 118 L CA -0.630 54.148 54.840 -0.102 0.000 0.810 118 L CB 1.725 43.751 42.059 -0.056 0.000 1.205 118 L HN 0.297 nan 8.230 nan 0.000 0.422 119 V N 2.467 122.316 119.914 -0.108 0.000 2.604 119 V HA 0.548 4.668 4.120 -0.000 0.000 0.305 119 V C -0.661 175.359 176.094 -0.123 0.000 1.043 119 V CA -0.842 61.389 62.300 -0.115 0.000 0.888 119 V CB 1.922 33.685 31.823 -0.100 0.000 0.995 119 V HN 0.734 nan 8.190 nan 0.000 0.429 120 N N 2.273 120.891 118.700 -0.136 0.000 2.321 120 N HA 0.894 5.634 4.740 -0.000 0.000 0.290 120 N C -1.140 174.246 175.510 -0.206 0.000 1.212 120 N CA -0.583 52.310 53.050 -0.261 0.000 0.767 120 N CB 2.445 40.807 38.487 -0.207 0.000 1.494 120 N HN 0.455 nan 8.380 nan 0.000 0.479 121 V N 0.435 120.158 119.914 -0.317 0.000 3.242 121 V HA 0.482 4.602 4.120 -0.000 0.000 0.298 121 V C -1.497 174.568 176.094 -0.049 0.000 1.352 121 V CA -0.712 61.532 62.300 -0.094 0.000 1.052 121 V CB 2.536 34.362 31.823 0.005 0.000 1.101 121 V HN 0.460 nan 8.190 nan 0.000 0.446 122 I N 2.839 123.463 120.570 0.088 0.000 2.411 122 I HA 0.485 4.655 4.170 -0.000 0.000 0.284 122 I C -0.029 176.152 176.117 0.106 0.000 1.012 122 I CA -0.437 60.954 61.300 0.153 0.000 1.119 122 I CB 1.253 39.371 38.000 0.197 0.000 1.261 122 I HN 0.356 nan 8.210 nan 0.000 0.448 123 L N 4.632 125.914 121.223 0.097 0.000 2.466 123 L HA 0.331 4.671 4.340 -0.000 0.000 0.257 123 L C 1.956 178.871 176.870 0.075 0.000 1.189 123 L CA -0.381 54.510 54.840 0.085 0.000 0.813 123 L CB 0.201 42.309 42.059 0.083 0.000 1.118 123 L HN 0.769 nan 8.230 nan 0.000 0.471 124 K N 0.323 120.764 120.400 0.068 0.000 2.280 124 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 124 K C 1.331 177.965 176.600 0.057 0.000 1.047 124 K CA 1.656 57.980 56.287 0.060 0.000 0.942 124 K CB -0.688 31.845 32.500 0.055 0.000 0.739 124 K HN 0.721 nan 8.250 nan 0.000 0.457 125 D N -0.706 119.729 120.400 0.057 0.000 2.144 125 D HA -0.045 4.595 4.640 -0.000 0.000 0.199 125 D C 1.512 177.844 176.300 0.053 0.000 0.984 125 D CA 2.135 56.166 54.000 0.052 0.000 0.834 125 D CB 0.071 40.902 40.800 0.052 0.000 0.955 125 D HN 0.666 nan 8.370 nan 0.000 0.465 126 G N 0.029 108.862 108.800 0.055 0.000 2.179 126 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 126 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 126 G C 0.434 175.354 174.900 0.033 0.000 0.990 126 G CA 0.491 45.613 45.100 0.037 0.000 0.646 126 G HN 0.434 nan 8.290 nan 0.000 0.517 127 S N -0.405 115.334 115.700 0.066 0.000 2.596 127 S HA 0.626 5.096 4.470 -0.000 0.000 0.260 127 S C -0.322 174.388 174.600 0.184 0.000 1.336 127 S CA -0.045 58.215 58.200 0.099 0.000 0.993 127 S CB 1.543 64.795 63.200 0.087 0.000 0.923 127 S HN 1.153 nan 8.310 nan 0.000 0.567 128 F N 1.019 121.001 119.950 0.053 0.000 2.507 128 F HA 0.611 5.138 4.527 -0.000 0.000 0.328 128 F C -1.105 174.773 175.800 0.130 0.000 1.136 128 F CA -1.278 56.783 58.000 0.101 0.000 0.930 128 F CB 1.323 40.414 39.000 0.152 0.000 1.166 128 F HN 0.528 nan 8.300 nan 0.000 0.436 129 L N 5.845 126.817 121.223 -0.418 0.000 2.329 129 L HA 0.709 5.049 4.340 -0.000 0.000 0.279 129 L C -0.853 175.801 176.870 -0.361 0.000 1.014 129 L CA -0.142 54.559 54.840 -0.231 0.000 0.814 129 L CB 1.726 43.749 42.059 -0.060 0.000 1.257 129 L HN 0.655 nan 8.230 nan 0.000 0.424 130 T N 5.913 120.404 114.554 -0.105 0.000 2.841 130 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 130 T C -0.461 174.231 174.700 -0.013 0.000 1.000 130 T CA -0.516 61.533 62.100 -0.084 0.000 0.977 130 T CB 1.329 70.182 68.868 -0.025 0.000 0.979 130 T HN 0.460 nan 8.240 nan 0.000 0.446 131 L N 2.857 124.053 121.223 -0.046 0.000 2.362 131 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 131 L C -0.252 176.578 176.870 -0.066 0.000 0.998 131 L CA -0.756 54.070 54.840 -0.024 0.000 0.820 131 L CB 2.117 44.139 42.059 -0.062 0.000 1.270 131 L HN 0.600 nan 8.230 nan 0.000 0.415 132 Q N 5.126 124.903 119.800 -0.038 0.000 2.401 132 Q HA 0.512 4.852 4.340 -0.000 0.000 0.260 132 Q C -1.228 174.685 176.000 -0.144 0.000 1.034 132 Q CA -0.297 55.461 55.803 -0.075 0.000 0.737 132 Q CB 2.034 30.752 28.738 -0.033 0.000 1.227 132 Q HN 0.506 nan 8.270 nan 0.000 0.488 133 L N 3.929 125.035 121.223 -0.196 0.000 2.295 133 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 133 L C -2.359 174.439 176.870 -0.120 0.000 1.018 133 L CA -2.328 52.378 54.840 -0.223 0.000 0.841 133 L CB 0.787 42.639 42.059 -0.344 0.000 1.218 133 L HN 0.234 nan 8.230 nan 0.000 0.424 134 P HA 0.019 nan 4.420 nan 0.000 0.268 134 P C 1.048 178.365 177.300 0.029 0.000 1.208 134 P CA -0.160 62.935 63.100 -0.008 0.000 0.777 134 P CB 0.935 32.644 31.700 0.014 0.000 0.875 135 L N 0.988 122.242 121.223 0.051 0.000 2.083 135 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 135 L C 2.128 179.130 176.870 0.220 0.000 1.083 135 L CA 1.928 56.856 54.840 0.148 0.000 0.752 135 L CB -0.875 41.254 42.059 0.117 0.000 0.899 135 L HN 0.423 nan 8.230 nan 0.000 0.433 136 S N 0.112 115.894 115.700 0.136 0.000 2.383 136 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 136 S C 1.760 176.451 174.600 0.150 0.000 1.030 136 S CA 1.247 59.530 58.200 0.139 0.000 1.002 136 S CB -0.556 62.697 63.200 0.088 0.000 0.829 136 S HN 0.350 nan 8.310 nan 0.000 0.467 137 F N 3.512 123.428 119.950 -0.055 0.000 2.134 137 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 137 F C 1.640 177.341 175.800 -0.165 0.000 1.097 137 F CA 0.827 58.755 58.000 -0.120 0.000 1.264 137 F CB -0.762 38.120 39.000 -0.195 0.000 1.001 137 F HN 0.140 nan 8.300 nan 0.000 0.479 138 L N -1.663 119.276 121.223 -0.473 0.000 2.093 138 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 138 L C 2.200 178.651 176.870 -0.699 0.000 1.085 138 L CA 1.587 55.965 54.840 -0.770 0.000 0.755 138 L CB -1.897 39.709 42.059 -0.754 0.000 0.904 138 L HN -0.032 nan 8.230 nan 0.000 0.435 139 F N 0.924 120.758 119.950 -0.193 0.000 2.163 139 F HA -0.010 4.516 4.527 -0.000 0.000 0.297 139 F C 2.147 177.880 175.800 -0.112 0.000 1.094 139 F CA 0.623 58.549 58.000 -0.124 0.000 1.290 139 F CB -0.960 37.992 39.000 -0.081 0.000 1.017 139 F HN 0.172 nan 8.300 nan 0.000 0.483 140 S N 0.030 115.752 115.700 0.038 0.000 2.598 140 S HA 0.019 4.489 4.470 -0.000 0.000 0.256 140 S C 1.317 175.885 174.600 -0.054 0.000 1.350 140 S CA -0.101 58.108 58.200 0.017 0.000 0.984 140 S CB 0.846 64.077 63.200 0.051 0.000 0.930 140 S HN 0.269 nan 8.310 nan 0.000 0.577 141 S N -0.079 115.609 115.700 -0.019 0.000 2.575 141 S HA 0.411 4.881 4.470 -0.000 0.000 0.215 141 S C 0.726 175.317 174.600 -0.015 0.000 0.966 141 S CA -0.130 58.050 58.200 -0.034 0.000 0.911 141 S CB -0.839 62.355 63.200 -0.011 0.000 0.780 141 S HN 1.194 nan 8.310 nan 0.000 0.514 142 A N 2.161 124.999 122.820 0.030 0.000 2.546 142 A HA 0.262 4.582 4.320 -0.000 0.000 0.243 142 A C 1.247 178.906 177.584 0.125 0.000 1.063 142 A CA -0.237 51.863 52.037 0.105 0.000 0.757 142 A CB -0.155 18.968 19.000 0.205 0.000 0.991 142 A HN 0.369 nan 8.150 nan 0.000 0.503 143 N N 0.116 118.873 118.700 0.094 0.000 2.166 143 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 143 N C 0.650 176.243 175.510 0.139 0.000 1.019 143 N CA 1.787 54.888 53.050 0.084 0.000 0.856 143 N CB -0.068 38.452 38.487 0.055 0.000 0.993 143 N HN 0.963 nan 8.380 nan 0.000 0.426 144 T N -2.913 111.733 114.554 0.153 0.000 2.942 144 T HA 0.465 4.815 4.350 -0.000 0.000 0.327 144 T C -1.407 173.281 174.700 -0.019 0.000 1.360 144 T CA -0.919 61.252 62.100 0.118 0.000 1.055 144 T CB 1.531 70.449 68.868 0.083 0.000 1.261 144 T HN -0.222 nan 8.240 nan 0.000 0.485 145 L N 3.105 124.148 121.223 -0.300 0.000 2.381 145 L HA 0.542 4.882 4.340 -0.000 0.000 0.274 145 L C -0.108 176.634 176.870 -0.213 0.000 0.988 145 L CA -0.588 54.003 54.840 -0.415 0.000 0.824 145 L CB 1.872 43.386 42.059 -0.909 0.000 1.263 145 L HN 0.828 nan 8.230 nan 0.000 0.410 146 N N 1.685 120.343 118.700 -0.071 0.000 2.413 146 N HA 0.709 5.449 4.740 -0.000 0.000 0.266 146 N C 0.394 175.937 175.510 0.054 0.000 1.238 146 N CA 0.093 53.166 53.050 0.038 0.000 0.972 146 N CB 1.875 40.378 38.487 0.028 0.000 1.210 146 N HN 0.742 nan 8.380 nan 0.000 0.547 147 G N -0.024 108.824 108.800 0.080 0.000 2.422 147 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.607 147 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.607 147 G C -1.729 173.222 174.900 0.084 0.000 1.270 147 G CA -0.803 44.340 45.100 0.071 0.000 0.992 147 G HN 0.675 nan 8.290 nan 0.000 0.499 148 E N 0.139 120.374 120.200 0.059 0.000 2.176 148 E HA 0.549 4.899 4.350 -0.000 0.000 0.267 148 E C 0.213 176.823 176.600 0.018 0.000 0.893 148 E CA -1.107 55.265 56.400 -0.048 0.000 0.761 148 E CB 1.410 31.110 29.700 -0.000 0.000 1.133 148 E HN 0.891 nan 8.360 nan 0.000 0.409 149 W N 2.454 123.679 121.300 -0.125 0.000 2.684 149 W HA 0.363 5.023 4.660 -0.000 0.000 0.381 149 W C -1.074 175.295 176.519 -0.250 0.000 0.975 149 W CA -0.778 56.436 57.345 -0.218 0.000 1.789 149 W CB -0.442 28.818 29.460 -0.333 0.000 1.161 149 W HN 0.226 nan 8.180 nan 0.000 0.564 150 F N 1.607 121.450 119.950 -0.179 0.000 2.420 150 F HA 0.349 4.876 4.527 -0.000 0.000 0.342 150 F C 1.149 176.991 175.800 0.070 0.000 1.113 150 F CA -0.402 57.538 58.000 -0.099 0.000 1.059 150 F CB 0.996 39.845 39.000 -0.252 0.000 1.128 150 F HN 0.010 nan 8.300 nan 0.000 0.475 151 H N 4.142 123.301 119.070 0.148 0.000 2.492 151 H HA 0.284 4.840 4.556 -0.000 0.000 0.264 151 H C -0.070 175.333 175.328 0.126 0.000 1.150 151 H CA -0.288 55.830 56.048 0.117 0.000 0.962 151 H CB 0.517 30.343 29.762 0.108 0.000 1.766 151 H HN 0.457 nan 8.280 nan 0.000 0.589 152 L N 2.449 123.761 121.223 0.148 0.000 2.601 152 L HA -0.067 4.273 4.340 -0.000 0.000 0.277 152 L C -0.098 176.839 176.870 0.111 0.000 1.219 152 L CA 1.110 56.022 54.840 0.119 0.000 0.915 152 L CB 0.358 42.453 42.059 0.060 0.000 1.160 152 L HN 0.358 nan 8.230 nan 0.000 0.494 153 Q N 3.303 123.212 119.800 0.181 0.000 2.421 153 Q HA 0.295 4.635 4.340 -0.000 0.000 0.280 153 Q C -0.481 175.615 176.000 0.160 0.000 1.085 153 Q CA -0.857 55.054 55.803 0.181 0.000 0.807 153 Q CB 1.980 30.887 28.738 0.282 0.000 1.405 153 Q HN 0.445 nan 8.270 nan 0.000 0.419 154 N N 1.088 119.842 118.700 0.090 0.000 2.238 154 N HA 0.159 4.899 4.740 -0.000 0.000 0.235 154 N C -2.344 173.130 175.510 -0.060 0.000 1.209 154 N CA -0.837 52.230 53.050 0.028 0.000 0.879 154 N CB 0.799 39.313 38.487 0.045 0.000 1.136 154 N HN 0.475 nan 8.380 nan 0.000 0.517 155 P HA 0.042 nan 4.420 nan 0.000 0.276 155 P C -0.160 177.121 177.300 -0.031 0.000 1.243 155 P CA 0.266 63.371 63.100 0.008 0.000 0.768 155 P CB 0.135 31.937 31.700 0.171 0.000 0.856 156 Y N -0.112 119.960 120.300 -0.380 0.000 4.936 156 Y HA -0.264 4.286 4.550 -0.000 0.000 0.266 156 Y C -1.432 174.158 175.900 -0.517 0.000 0.909 156 Y CA 0.854 58.693 58.100 -0.434 0.000 1.828 156 Y CB -2.735 35.625 38.460 -0.168 0.000 1.283 156 Y HN 0.356 nan 8.280 nan 0.000 0.511 157 D N 0.724 120.459 120.400 -1.108 0.000 2.619 157 D HA 0.730 5.370 4.640 -0.000 0.000 0.241 157 D C -0.765 175.108 176.300 -0.712 0.000 1.087 157 D CA -0.297 53.184 54.000 -0.865 0.000 0.851 157 D CB 0.899 41.230 40.800 -0.781 0.000 1.474 157 D HN 0.187 nan 8.370 nan 0.000 0.478 158 F N 0.168 120.053 119.950 -0.109 0.000 2.629 158 F HA 0.249 4.776 4.527 -0.000 0.000 0.316 158 F C 1.550 177.332 175.800 -0.030 0.000 1.081 158 F CA -0.984 56.980 58.000 -0.060 0.000 0.954 158 F CB 2.142 41.116 39.000 -0.043 0.000 1.337 158 F HN 0.179 nan 8.300 nan 0.000 0.474 159 T N 0.121 114.802 114.554 0.211 0.000 3.025 159 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 159 T C 1.781 176.547 174.700 0.109 0.000 1.126 159 T CA 0.658 62.826 62.100 0.113 0.000 1.105 159 T CB -0.042 68.870 68.868 0.073 0.000 0.884 159 T HN 0.435 nan 8.240 nan 0.000 0.522 160 V N 1.085 121.090 119.914 0.152 0.000 2.295 160 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 160 V C 0.823 176.986 176.094 0.113 0.000 1.049 160 V CA 1.459 63.834 62.300 0.126 0.000 1.024 160 V CB -0.069 31.855 31.823 0.169 0.000 0.648 160 V HN 0.402 nan 8.190 nan 0.000 0.447 161 R N -0.483 120.088 120.500 0.118 0.000 2.439 161 R HA 0.507 4.847 4.340 -0.000 0.000 0.310 161 R C -0.854 175.495 176.300 0.081 0.000 0.955 161 R CA -0.634 55.523 56.100 0.095 0.000 0.853 161 R CB 2.016 32.374 30.300 0.097 0.000 1.171 161 R HN 0.169 nan 8.270 nan 0.000 0.449 162 V N 4.186 124.150 119.914 0.083 0.000 2.811 162 V HA 0.158 4.278 4.120 -0.000 0.000 0.302 162 V C -1.724 174.445 176.094 0.125 0.000 1.063 162 V CA -1.485 60.869 62.300 0.090 0.000 1.088 162 V CB 0.622 32.494 31.823 0.081 0.000 0.982 162 V HN 0.645 nan 8.190 nan 0.000 0.485 163 P HA 0.261 nan 4.420 nan 0.000 0.275 163 P C -0.420 177.050 177.300 0.282 0.000 1.228 163 P CA 0.252 63.463 63.100 0.185 0.000 0.786 163 P CB 1.370 33.156 31.700 0.144 0.000 0.927 164 H N 1.202 120.386 119.070 0.191 0.000 1.997 164 H HA 0.404 4.960 4.556 -0.000 0.000 0.148 164 H C -1.223 174.293 175.328 0.314 0.000 1.058 164 H CA 0.147 56.327 56.048 0.219 0.000 1.092 164 H CB 0.210 30.109 29.762 0.229 0.000 0.873 164 H HN 0.301 nan 8.280 nan 0.000 0.301 165 F N 1.852 121.934 119.950 0.220 0.000 2.561 165 F HA 0.505 5.032 4.527 -0.000 0.000 0.313 165 F C -1.908 174.095 175.800 0.338 0.000 1.126 165 F CA -0.917 57.231 58.000 0.247 0.000 0.918 165 F CB 1.690 40.866 39.000 0.293 0.000 1.199 165 F HN 0.111 nan 8.300 nan 0.000 0.444 166 L N 7.396 128.600 121.223 -0.031 0.000 2.319 166 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 166 L C -1.724 175.197 176.870 0.085 0.000 1.005 166 L CA -0.720 54.170 54.840 0.083 0.000 0.828 166 L CB 1.235 43.326 42.059 0.053 0.000 1.227 166 L HN 0.713 nan 8.230 nan 0.000 0.415 167 F N 4.385 124.439 119.950 0.172 0.000 2.508 167 F HA 0.364 4.891 4.527 -0.000 0.000 0.325 167 F C -0.961 174.895 175.800 0.094 0.000 1.090 167 F CA -0.647 57.508 58.000 0.259 0.000 0.945 167 F CB 1.465 40.775 39.000 0.517 0.000 1.156 167 F HN 0.402 nan 8.300 nan 0.000 0.463 168 Y N 6.017 125.852 120.300 -0.775 0.000 2.327 168 Y HA 0.580 5.130 4.550 -0.000 0.000 0.336 168 Y C -1.187 174.446 175.900 -0.445 0.000 1.035 168 Y CA -0.674 57.121 58.100 -0.509 0.000 1.165 168 Y CB 0.931 39.149 38.460 -0.403 0.000 1.181 168 Y HN 0.378 nan 8.280 nan 0.000 0.494 169 V N 6.768 126.233 119.914 -0.748 0.000 2.509 169 V HA 0.076 4.196 4.120 -0.000 0.000 0.284 169 V C 0.921 176.623 176.094 -0.654 0.000 1.047 169 V CA 0.001 62.041 62.300 -0.433 0.000 0.952 169 V CB 1.294 33.014 31.823 -0.171 0.000 0.988 169 V HN 1.113 nan 8.190 nan 0.000 0.469 170 S N 5.366 120.943 115.700 -0.205 0.000 2.404 170 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 170 S C -1.237 173.322 174.600 -0.068 0.000 1.046 170 S CA 1.769 59.944 58.200 -0.042 0.000 1.135 170 S CB -0.895 62.344 63.200 0.065 0.000 1.056 170 S HN 0.736 nan 8.310 nan 0.000 0.426 171 P HA 0.129 nan 4.420 nan 0.000 0.220 171 P C -0.264 177.010 177.300 -0.043 0.000 1.806 171 P CA 0.214 63.305 63.100 -0.016 0.000 0.976 171 P CB -0.765 30.929 31.700 -0.010 0.000 1.952 172 Q N -0.620 119.112 119.800 -0.113 0.000 2.494 172 Q HA -0.252 4.088 4.340 -0.000 0.000 0.266 172 Q C -1.383 174.556 176.000 -0.101 0.000 1.053 172 Q CA 0.820 56.568 55.803 -0.091 0.000 1.029 172 Q CB -2.799 25.962 28.738 0.037 0.000 1.423 172 Q HN 0.399 nan 8.270 nan 0.000 0.516 173 F N 0.858 120.571 119.950 -0.395 0.000 2.469 173 F HA 0.644 5.171 4.527 -0.000 0.000 0.332 173 F C -0.360 175.239 175.800 -0.334 0.000 1.103 173 F CA -0.645 57.185 58.000 -0.284 0.000 0.979 173 F CB 1.919 40.794 39.000 -0.208 0.000 1.137 173 F HN 0.085 nan 8.300 nan 0.000 0.463 174 S N 3.906 118.936 115.700 -1.116 0.000 2.521 174 S HA 0.640 5.110 4.470 -0.000 0.000 0.295 174 S C -1.168 172.833 174.600 -0.998 0.000 1.098 174 S CA -0.699 57.029 58.200 -0.787 0.000 0.999 174 S CB 2.028 65.052 63.200 -0.292 0.000 1.034 174 S HN 0.440 nan 8.310 nan 0.000 0.483 175 V N 2.807 122.375 119.914 -0.576 0.000 2.483 175 V HA 0.634 4.754 4.120 -0.000 0.000 0.295 175 V C -0.206 175.636 176.094 -0.421 0.000 1.035 175 V CA -0.684 61.300 62.300 -0.527 0.000 0.896 175 V CB 1.658 33.219 31.823 -0.436 0.000 0.986 175 V HN 0.638 nan 8.190 nan 0.000 0.447 176 V N 5.798 125.455 119.914 -0.427 0.000 2.495 176 V HA 0.694 4.814 4.120 -0.000 0.000 0.298 176 V C -1.113 174.802 176.094 -0.298 0.000 1.031 176 V CA -0.379 61.783 62.300 -0.231 0.000 0.871 176 V CB 1.518 33.360 31.823 0.031 0.000 0.988 176 V HN 0.640 nan 8.190 nan 0.000 0.432 177 F N 6.482 126.572 119.950 0.233 0.000 2.483 177 F HA 0.768 5.295 4.527 -0.000 0.000 0.329 177 F C 0.210 176.166 175.800 0.261 0.000 1.064 177 F CA -0.855 57.271 58.000 0.210 0.000 0.986 177 F CB 1.706 40.840 39.000 0.222 0.000 1.218 177 F HN 0.526 nan 8.300 nan 0.000 0.484 178 L N -0.913 120.533 121.223 0.373 0.000 2.376 178 L HA 0.590 4.929 4.340 -0.000 0.000 0.258 178 L C 0.599 177.508 176.870 0.066 0.000 1.013 178 L CA -0.940 54.039 54.840 0.232 0.000 0.822 178 L CB 1.985 44.145 42.059 0.167 0.000 1.388 178 L HN 0.642 nan 8.230 nan 0.000 0.413 179 E N 0.242 120.354 120.200 -0.147 0.000 2.118 179 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 179 E C -0.410 176.158 176.600 -0.053 0.000 0.992 179 E CA 0.735 56.981 56.400 -0.256 0.000 0.804 179 E CB -0.641 28.872 29.700 -0.313 0.000 0.741 179 E HN 0.746 nan 8.360 nan 0.000 0.458 180 D N 2.278 122.692 120.400 0.023 0.000 2.533 180 D HA 0.162 4.802 4.640 -0.000 0.000 0.236 180 D C 0.584 176.934 176.300 0.084 0.000 1.137 180 D CA 0.867 54.910 54.000 0.073 0.000 0.867 180 D CB 0.159 41.028 40.800 0.115 0.000 1.170 180 D HN 0.196 nan 8.370 nan 0.000 0.474 181 G N 1.030 109.874 108.800 0.073 0.000 2.265 181 G HA2 0.445 4.405 3.960 -0.000 0.000 0.240 181 G HA3 0.445 4.405 3.960 -0.000 0.000 0.240 181 G C 0.496 175.498 174.900 0.171 0.000 1.270 181 G CA 0.198 45.349 45.100 0.085 0.000 0.901 181 G HN 0.698 nan 8.290 nan 0.000 0.507 182 G N 0.532 109.462 108.800 0.216 0.000 2.339 182 G HA2 0.599 4.558 3.960 -0.000 0.000 0.302 182 G HA3 0.599 4.558 3.960 -0.000 0.000 0.302 182 G C -1.207 173.843 174.900 0.250 0.000 1.425 182 G CA -0.218 45.030 45.100 0.246 0.000 0.899 182 G HN 1.774 nan 8.290 nan 0.000 0.619 183 L N -1.852 119.474 121.223 0.172 0.000 2.720 183 L HA 0.987 5.327 4.340 -0.000 0.000 0.261 183 L C -1.563 175.318 176.870 0.019 0.000 1.046 183 L CA -1.190 53.692 54.840 0.071 0.000 0.886 183 L CB 1.827 43.855 42.059 -0.052 0.000 1.493 183 L HN 1.104 nan 8.230 nan 0.000 0.407 184 L N 0.343 121.541 121.223 -0.041 0.000 2.350 184 L HA 0.966 5.306 4.340 -0.000 0.000 0.260 184 L C -0.264 176.510 176.870 -0.159 0.000 1.015 184 L CA 0.076 54.894 54.840 -0.037 0.000 0.821 184 L CB 2.014 44.120 42.059 0.078 0.000 1.370 184 L HN 0.958 nan 8.230 nan 0.000 0.416 185 G N 3.039 111.761 108.800 -0.130 0.000 2.389 185 G HA2 0.585 4.545 3.960 -0.000 0.000 0.328 185 G HA3 0.585 4.545 3.960 -0.000 0.000 0.328 185 G C -1.217 173.574 174.900 -0.182 0.000 1.133 185 G CA -0.586 44.484 45.100 -0.050 0.000 0.891 185 G HN 0.491 nan 8.290 nan 0.000 0.485 186 L N 2.517 123.640 121.223 -0.167 0.000 2.294 186 L HA 0.403 4.743 4.340 -0.000 0.000 0.283 186 L C 0.103 177.229 176.870 0.427 0.000 1.015 186 L CA -0.744 53.983 54.840 -0.188 0.000 0.831 186 L CB 1.841 43.593 42.059 -0.512 0.000 1.217 186 L HN 0.442 nan 8.230 nan 0.000 0.420 187 K N 1.703 122.144 120.400 0.069 0.000 2.402 187 K HA 0.133 4.453 4.320 -0.000 0.000 0.204 187 K C 0.979 177.555 176.600 -0.040 0.000 1.056 187 K CA 0.007 56.282 56.287 -0.021 0.000 1.069 187 K CB 0.378 32.741 32.500 -0.228 0.000 0.888 187 K HN 0.581 nan 8.250 nan 0.000 0.546 205 L N 3.077 124.218 121.223 -0.136 0.000 2.362 205 L HA 0.966 5.306 4.340 -0.000 0.000 0.275 205 L C -0.140 176.718 176.870 -0.019 0.000 0.998 205 L CA -1.119 53.656 54.840 -0.108 0.000 0.820 205 L CB 1.574 43.542 42.059 -0.152 0.000 1.270 205 L HN 0.783 nan 8.230 nan 0.000 0.415 206 K N 1.501 121.908 120.400 0.012 0.000 2.203 206 K HA 0.762 5.082 4.320 -0.000 0.000 0.251 206 K C -0.322 176.315 176.600 0.061 0.000 0.944 206 K CA -0.574 55.733 56.287 0.034 0.000 0.829 206 K CB 1.911 34.437 32.500 0.043 0.000 1.125 206 K HN 0.626 nan 8.250 nan 0.000 0.430 207 S N 0.337 116.085 115.700 0.080 0.000 2.651 207 S HA 0.517 4.987 4.470 -0.000 0.000 0.291 207 S C -0.214 174.459 174.600 0.122 0.000 1.141 207 S CA -0.635 57.678 58.200 0.188 0.000 1.027 207 S CB 0.980 64.286 63.200 0.177 0.000 1.043 207 S HN 0.611 nan 8.310 nan 0.000 0.530 208 L N 3.553 124.860 121.223 0.141 0.000 2.363 208 L HA 0.415 4.755 4.340 -0.000 0.000 0.286 208 L C -0.093 176.674 176.870 -0.173 0.000 1.106 208 L CA 0.355 54.908 54.840 -0.479 0.000 0.859 208 L CB -0.106 40.266 42.059 -2.811 0.000 1.223 208 L HN 0.844 nan 8.230 nan 0.000 0.446 209 T N 0.636 115.073 114.554 -0.196 0.000 3.588 209 T HA 0.327 4.677 4.350 -0.000 0.000 0.253 209 T C -0.278 174.141 174.700 -0.469 0.000 0.887 209 T CA -0.379 61.521 62.100 -0.334 0.000 1.582 209 T CB 0.137 69.129 68.868 0.208 0.000 0.810 209 T HN 0.598 nan 8.240 nan 0.000 0.598 210 R N 1.701 121.892 120.500 -0.515 0.000 2.205 210 R HA 0.723 5.063 4.340 -0.000 0.000 0.342 210 R C -0.804 175.268 176.300 -0.380 0.000 1.058 210 R CA -0.446 55.457 56.100 -0.328 0.000 0.904 210 R CB -0.553 29.574 30.300 -0.288 0.000 1.089 210 R HN 0.567 nan 8.270 nan 0.000 0.471 211 F N 2.683 122.667 119.950 0.057 0.000 2.385 211 F HA 0.558 5.085 4.527 -0.000 0.000 0.360 211 F C -0.198 175.766 175.800 0.274 0.000 1.122 211 F CA -1.232 56.843 58.000 0.125 0.000 1.090 211 F CB 1.461 40.530 39.000 0.115 0.000 1.150 211 F HN 0.461 nan 8.300 nan 0.000 0.472 212 F N 2.475 122.512 119.950 0.145 0.000 2.467 212 F HA 0.383 4.910 4.527 -0.000 0.000 0.336 212 F C 0.123 175.968 175.800 0.075 0.000 1.123 212 F CA -1.734 56.318 58.000 0.088 0.000 0.964 212 F CB 1.691 40.715 39.000 0.040 0.000 1.136 212 F HN 0.367 nan 8.300 nan 0.000 0.447 213 S N 3.290 118.977 115.700 -0.022 0.000 2.489 213 S HA 0.620 5.090 4.470 -0.000 0.000 0.277 213 S C 0.504 174.989 174.600 -0.192 0.000 1.230 213 S CA -0.331 57.819 58.200 -0.082 0.000 1.053 213 S CB 1.354 64.503 63.200 -0.085 0.000 0.955 213 S HN 0.866 nan 8.310 nan 0.000 0.488 214 R N 1.368 121.805 120.500 -0.104 0.000 2.509 214 R HA 0.533 4.873 4.340 -0.000 0.000 0.300 214 R C 1.453 177.706 176.300 -0.079 0.000 0.985 214 R CA 0.345 56.383 56.100 -0.103 0.000 1.092 214 R CB -0.673 29.595 30.300 -0.052 0.000 1.237 214 R HN 0.843 nan 8.270 nan 0.000 0.546 215 S N -1.391 114.261 115.700 -0.080 0.000 2.560 215 S HA 0.280 4.750 4.470 -0.000 0.000 0.281 215 S C -0.201 174.345 174.600 -0.090 0.000 1.075 215 S CA 1.025 59.182 58.200 -0.073 0.000 1.295 215 S CB 0.222 63.387 63.200 -0.059 0.000 1.156 215 S HN 1.272 nan 8.310 nan 0.000 0.627 220 Y N 0.887 121.177 120.300 -0.017 0.000 2.609 220 Y HA 0.422 4.972 4.550 -0.000 0.000 0.336 220 Y C 0.439 176.325 175.900 -0.023 0.000 1.129 220 Y CA 0.508 58.595 58.100 -0.022 0.000 1.040 220 Y CB 1.476 39.919 38.460 -0.028 0.000 1.310 220 Y HN 0.898 nan 8.280 nan 0.000 0.460 221 D N 1.404 121.794 120.400 -0.017 0.000 3.528 221 D HA -0.235 4.405 4.640 -0.000 0.000 0.163 221 D C -0.421 175.874 176.300 -0.007 0.000 1.069 221 D CA 1.462 55.473 54.000 0.018 0.000 1.082 221 D CB -1.260 39.600 40.800 0.099 0.000 0.538 221 D HN 1.251 nan 8.370 nan 0.000 0.579 222 S N -2.862 112.841 115.700 0.005 0.000 2.441 222 S HA 0.243 4.713 4.470 -0.000 0.000 0.310 222 S C -1.608 172.956 174.600 -0.061 0.000 0.647 222 S CA -0.061 58.116 58.200 -0.038 0.000 1.476 222 S CB -0.778 62.391 63.200 -0.052 0.000 1.791 222 S HN 1.265 nan 8.310 nan 0.000 0.430 223 V N 3.644 123.512 119.914 -0.076 0.000 2.417 223 V HA 0.588 4.708 4.120 -0.000 0.000 0.291 223 V C 0.653 176.607 176.094 -0.232 0.000 1.024 223 V CA -0.514 61.635 62.300 -0.252 0.000 0.861 223 V CB 1.498 33.014 31.823 -0.511 0.000 0.985 223 V HN 0.779 nan 8.190 nan 0.000 0.436 224 I N 2.575 122.989 120.570 -0.260 0.000 4.154 224 I HA 0.255 4.425 4.170 -0.000 0.000 0.334 224 I C 0.599 176.627 176.117 -0.148 0.000 1.371 224 I CA 0.547 61.750 61.300 -0.161 0.000 1.110 224 I CB 0.941 38.925 38.000 -0.028 0.000 1.085 224 I HN 0.736 nan 8.210 nan 0.000 0.398 225 S N 0.138 115.638 115.700 -0.334 0.000 2.578 225 S HA 0.565 5.035 4.470 -0.000 0.000 0.272 225 S C -1.385 172.970 174.600 -0.408 0.000 1.145 225 S CA -0.559 57.487 58.200 -0.255 0.000 0.835 225 S CB 1.914 65.118 63.200 0.007 0.000 1.104 225 S HN 0.232 nan 8.310 nan 0.000 0.458 226 C N 2.507 121.643 119.300 -0.274 0.000 3.311 226 C HA 0.899 5.359 4.460 -0.000 0.000 0.325 226 C C -2.148 172.738 174.990 -0.173 0.000 1.352 226 C CA -0.259 58.571 59.018 -0.314 0.000 1.308 226 C CB 0.916 28.315 27.740 -0.569 0.000 1.619 226 C HN 1.172 nan 8.230 nan 0.000 0.469 227 K N 1.330 121.601 120.400 -0.215 0.000 2.607 227 K HA 0.549 4.869 4.320 -0.000 0.000 0.287 227 K C -2.032 174.600 176.600 0.052 0.000 0.996 227 K CA -0.584 55.703 56.287 -0.001 0.000 0.876 227 K CB 1.956 34.525 32.500 0.115 0.000 1.496 227 K HN 0.764 nan 8.250 nan 0.000 0.415 228 L N 2.547 123.930 121.223 0.266 0.000 2.316 228 L HA 0.484 4.824 4.340 -0.000 0.000 0.280 228 L C -1.025 176.036 176.870 0.319 0.000 1.006 228 L CA -0.669 54.358 54.840 0.312 0.000 0.836 228 L CB 0.581 42.900 42.059 0.434 0.000 1.221 228 L HN 0.595 nan 8.230 nan 0.000 0.418 229 F N 5.720 125.810 119.950 0.233 0.000 2.427 229 F HA 0.274 4.801 4.527 -0.000 0.000 0.352 229 F C 1.175 177.195 175.800 0.366 0.000 1.100 229 F CA 0.324 58.474 58.000 0.251 0.000 1.191 229 F CB 0.235 39.369 39.000 0.222 0.000 1.128 229 F HN 0.775 nan 8.300 nan 0.000 0.533 230 H N 2.621 121.739 119.070 0.080 0.000 1.452 230 H HA -0.304 4.252 4.556 -0.000 0.000 0.090 230 H C 0.817 176.329 175.328 0.308 0.000 0.910 230 H CA 2.145 58.386 56.048 0.322 0.000 1.901 230 H CB -0.416 30.027 29.762 1.135 0.000 2.257 230 H HN 0.746 nan 8.280 nan 0.000 0.961 231 E N -0.146 120.429 120.200 0.626 0.000 2.372 231 E HA 0.209 4.559 4.350 -0.000 0.000 0.201 231 E C 2.410 179.096 176.600 0.144 0.000 0.938 231 E CA 1.767 58.351 56.400 0.306 0.000 0.944 231 E CB 0.216 30.058 29.700 0.237 0.000 0.937 231 E HN 0.566 nan 8.360 nan 0.000 0.495 232 R N -0.248 120.250 120.500 -0.004 0.000 2.225 232 R HA 0.209 4.549 4.340 -0.000 0.000 0.194 232 R C 0.206 176.367 176.300 -0.232 0.000 0.957 232 R CA 0.497 56.437 56.100 -0.267 0.000 1.042 232 R CB -0.537 29.388 30.300 -0.624 0.000 1.004 232 R HN 0.106 nan 8.270 nan 0.000 0.509 233 Y N 0.431 120.848 120.300 0.195 0.000 2.341 233 Y HA 0.558 5.108 4.550 -0.000 0.000 0.340 233 Y C 0.070 176.104 175.900 0.223 0.000 0.997 233 Y CA -1.110 57.103 58.100 0.188 0.000 1.149 233 Y CB 1.302 39.816 38.460 0.091 0.000 1.171 233 Y HN -0.015 nan 8.280 nan 0.000 0.494 234 L N 5.841 127.268 121.223 0.339 0.000 2.255 234 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 234 L C -0.514 176.498 176.870 0.236 0.000 1.046 234 L CA -0.390 54.578 54.840 0.214 0.000 0.816 234 L CB 0.527 42.646 42.059 0.100 0.000 1.197 234 L HN 0.583 nan 8.230 nan 0.000 0.427 235 I N 4.249 124.901 120.570 0.136 0.000 2.325 235 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 235 I C -0.032 176.079 176.117 -0.010 0.000 1.019 235 I CA -0.401 60.950 61.300 0.085 0.000 1.302 235 I CB 1.311 39.345 38.000 0.056 0.000 1.401 235 I HN 0.234 nan 8.210 nan 0.000 0.485 236 V N 6.845 126.764 119.914 0.009 0.000 2.919 236 V HA 0.523 4.643 4.120 -0.000 0.000 0.316 236 V C -0.183 175.812 176.094 -0.166 0.000 1.077 236 V CA -0.840 61.396 62.300 -0.108 0.000 0.977 236 V CB 2.566 34.382 31.823 -0.013 0.000 1.039 236 V HN 0.522 nan 8.190 nan 0.000 0.441 237 L N 1.755 122.815 121.223 -0.272 0.000 2.333 237 L HA 0.789 5.129 4.340 -0.000 0.000 0.263 237 L C -0.293 176.336 176.870 -0.402 0.000 1.014 237 L CA -0.219 54.437 54.840 -0.305 0.000 0.820 237 L CB 2.751 44.673 42.059 -0.228 0.000 1.352 237 L HN 0.934 nan 8.230 nan 0.000 0.421 238 T N -0.777 113.421 114.554 -0.594 0.000 2.942 238 T HA 0.203 4.553 4.350 -0.000 0.000 0.289 238 T C 0.333 174.844 174.700 -0.316 0.000 1.044 238 T CA -0.570 61.166 62.100 -0.606 0.000 1.023 238 T CB 1.824 69.745 68.868 -1.578 0.000 1.123 238 T HN 0.527 nan 8.240 nan 0.000 0.512 239 Q N 0.669 120.403 119.800 -0.112 0.000 2.291 239 Q HA -0.103 4.236 4.340 -0.000 0.000 0.206 239 Q C 1.584 177.579 176.000 -0.008 0.000 0.976 239 Q CA 1.579 57.343 55.803 -0.064 0.000 0.875 239 Q CB -0.742 27.972 28.738 -0.040 0.000 0.927 239 Q HN 0.619 nan 8.270 nan 0.000 0.450 240 N N -0.648 118.175 118.700 0.206 0.000 2.084 240 N HA -0.065 4.674 4.740 -0.000 0.000 0.190 240 N C 0.166 175.743 175.510 0.112 0.000 1.030 240 N CA 1.322 54.499 53.050 0.211 0.000 0.849 240 N CB -0.208 38.402 38.487 0.205 0.000 1.012 240 N HN 0.537 nan 8.380 nan 0.000 0.423 241 C N 0.201 119.583 119.300 0.137 0.000 2.493 241 C HA 0.822 5.282 4.460 -0.000 0.000 0.326 241 C C -0.385 174.766 174.990 0.268 0.000 1.200 241 C CA -1.007 58.078 59.018 0.112 0.000 1.739 241 C CB 1.289 28.960 27.740 -0.116 0.000 2.300 241 C HN 0.525 nan 8.230 nan 0.000 0.500 242 H N 1.440 120.475 119.070 -0.058 0.000 2.960 242 H HA 0.781 5.337 4.556 -0.000 0.000 0.323 242 H C -1.468 173.838 175.328 -0.037 0.000 1.326 242 H CA -1.074 54.959 56.048 -0.025 0.000 1.124 242 H CB 0.969 30.732 29.762 0.000 0.000 1.853 242 H HN 0.856 nan 8.280 nan 0.000 0.536 243 L N -1.132 120.077 121.223 -0.025 0.000 2.342 243 L HA 0.737 5.077 4.340 -0.000 0.000 0.271 243 L C -0.678 176.185 176.870 -0.011 0.000 1.008 243 L CA -0.730 54.051 54.840 -0.097 0.000 0.818 243 L CB 1.995 43.958 42.059 -0.159 0.000 1.296 243 L HN 0.553 nan 8.230 nan 0.000 0.427 244 K N 4.113 124.506 120.400 -0.011 0.000 2.502 244 K HA 0.622 4.942 4.320 -0.000 0.000 0.254 244 K C -1.130 175.476 176.600 0.011 0.000 0.947 244 K CA -0.476 55.808 56.287 -0.005 0.000 0.834 244 K CB 2.122 34.642 32.500 0.034 0.000 1.112 244 K HN 0.605 nan 8.250 nan 0.000 0.427 245 I N 1.941 122.462 120.570 -0.081 0.000 2.577 245 I HA 0.382 4.552 4.170 -0.000 0.000 0.300 245 I C -0.235 175.848 176.117 -0.056 0.000 0.990 245 I CA -0.617 60.686 61.300 0.005 0.000 1.283 245 I CB 0.936 38.921 38.000 -0.025 0.000 1.411 245 I HN 0.436 nan 8.210 nan 0.000 0.515 246 W N 3.477 124.864 121.300 0.145 0.000 3.031 246 W HA 0.388 5.048 4.660 -0.000 0.000 0.337 246 W C -1.121 175.500 176.519 0.170 0.000 1.187 246 W CA -0.330 57.101 57.345 0.143 0.000 1.166 246 W CB 2.126 31.653 29.460 0.112 0.000 1.437 246 W HN 0.413 nan 8.180 nan 0.000 0.551 247 D N 1.975 122.606 120.400 0.385 0.000 2.717 247 D HA 0.355 4.995 4.640 -0.000 0.000 0.223 247 D C -1.821 174.570 176.300 0.151 0.000 1.240 247 D CA -0.418 53.640 54.000 0.097 0.000 0.801 247 D CB 2.335 43.125 40.800 -0.016 0.000 1.556 247 D HN 0.414 nan 8.370 nan 0.000 0.462 248 L N 0.987 122.233 121.223 0.038 0.000 2.342 248 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 248 L C -0.376 176.468 176.870 -0.045 0.000 0.997 248 L CA -0.323 54.534 54.840 0.028 0.000 0.838 248 L CB 1.396 43.473 42.059 0.030 0.000 1.224 248 L HN 0.468 nan 8.230 nan 0.000 0.416 249 T N 0.940 115.452 114.554 -0.071 0.000 3.704 249 T HA -0.210 4.140 4.350 -0.000 0.000 0.388 249 T C 1.235 175.921 174.700 -0.023 0.000 0.763 249 T CA 1.024 63.072 62.100 -0.087 0.000 2.005 249 T CB -1.665 67.185 68.868 -0.031 0.000 1.752 249 T HN 0.863 nan 8.240 nan 0.000 0.747 250 S N 0.206 115.877 115.700 -0.049 0.000 2.383 250 S HA -0.005 4.465 4.470 -0.000 0.000 0.229 250 S C 0.798 175.558 174.600 0.267 0.000 1.030 250 S CA 1.471 59.721 58.200 0.083 0.000 1.002 250 S CB -0.226 63.041 63.200 0.113 0.000 0.829 250 S HN 0.865 nan 8.310 nan 0.000 0.467 251 F N 1.387 121.476 119.950 0.231 0.000 2.531 251 F HA 0.640 5.167 4.527 -0.000 0.000 0.333 251 F C -0.358 175.610 175.800 0.281 0.000 1.292 251 F CA -0.926 57.280 58.000 0.344 0.000 1.184 251 F CB 0.256 39.372 39.000 0.194 0.000 1.426 251 F HN -0.132 nan 8.300 nan 0.000 0.559 252 T N 2.133 116.851 114.554 0.273 0.000 2.916 252 T HA 0.874 5.224 4.350 -0.000 0.000 0.305 252 T C -1.392 173.071 174.700 -0.395 0.000 1.119 252 T CA -0.633 61.435 62.100 -0.053 0.000 1.008 252 T CB 2.278 71.099 68.868 -0.079 0.000 1.129 252 T HN 0.637 nan 8.240 nan 0.000 0.480 253 L N 1.876 122.885 121.223 -0.357 0.000 2.710 253 L HA 0.532 4.872 4.340 -0.000 0.000 0.260 253 L C 0.980 177.725 176.870 -0.207 0.000 0.993 253 L CA -1.308 53.263 54.840 -0.449 0.000 0.877 253 L CB -0.366 41.182 42.059 -0.852 0.000 1.461 253 L HN 0.682 nan 8.230 nan 0.000 0.413 254 I N -0.707 119.792 120.570 -0.118 0.000 2.226 254 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 254 I C 1.014 177.089 176.117 -0.071 0.000 1.100 254 I CA 1.545 62.822 61.300 -0.038 0.000 1.374 254 I CB 0.084 38.154 38.000 0.118 0.000 1.057 254 I HN 0.779 nan 8.210 nan 0.000 0.413 255 Q N -0.431 119.344 119.800 -0.041 0.000 3.045 255 Q HA -0.073 4.267 4.340 -0.000 0.000 0.328 255 Q C -1.519 174.501 176.000 0.034 0.000 0.844 255 Q CA -0.315 55.456 55.803 -0.054 0.000 0.930 255 Q CB 0.115 28.791 28.738 -0.104 0.000 1.432 255 Q HN 0.379 nan 8.270 nan 0.000 0.528 256 D N 1.600 122.014 120.400 0.023 0.000 2.671 256 D HA 0.078 4.718 4.640 -0.000 0.000 0.228 256 D C -0.565 175.806 176.300 0.118 0.000 1.102 256 D CA 0.129 54.183 54.000 0.091 0.000 1.044 256 D CB -0.570 40.252 40.800 0.036 0.000 1.113 256 D HN 0.270 nan 8.370 nan 0.000 0.480 257 Y N 0.957 121.256 120.300 -0.001 0.000 2.497 257 Y HA 0.158 4.708 4.550 -0.000 0.000 0.334 257 Y C 0.765 176.696 175.900 0.052 0.000 1.199 257 Y CA 0.581 58.677 58.100 -0.007 0.000 1.425 257 Y CB 0.840 39.294 38.460 -0.009 0.000 1.291 257 Y HN 0.257 nan 8.280 nan 0.000 0.562 261 S N 0.482 116.214 115.700 0.053 0.000 2.383 261 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 261 S C 1.738 176.348 174.600 0.017 0.000 1.026 261 S CA 2.316 60.531 58.200 0.025 0.000 0.981 261 S CB 0.084 63.280 63.200 -0.007 0.000 0.818 261 S HN 0.787 nan 8.310 nan 0.000 0.472 262 Q N 0.721 120.532 119.800 0.019 0.000 2.297 262 Q HA 0.150 4.490 4.340 -0.000 0.000 0.203 262 Q C -0.005 176.012 176.000 0.028 0.000 0.931 262 Q CA 0.248 56.061 55.803 0.017 0.000 0.885 262 Q CB 0.092 28.836 28.738 0.009 0.000 0.991 262 Q HN 0.287 nan 8.270 nan 0.000 0.498 263 S N 2.419 118.142 115.700 0.039 0.000 2.546 263 S HA -0.029 4.441 4.470 -0.000 0.000 0.290 263 S C -0.038 174.591 174.600 0.048 0.000 1.290 263 S CA 0.329 58.557 58.200 0.048 0.000 1.069 263 S CB 0.413 63.650 63.200 0.061 0.000 0.846 263 S HN 0.604 nan 8.310 nan 0.000 0.495 264 D N 1.271 121.702 120.400 0.050 0.000 3.798 264 D HA -0.214 4.426 4.640 -0.000 0.000 0.150 264 D C 0.229 176.555 176.300 0.042 0.000 0.953 264 D CA 1.790 55.821 54.000 0.051 0.000 1.089 264 D CB -1.401 39.435 40.800 0.060 0.000 0.535 264 D HN 0.775 nan 8.370 nan 0.000 0.563 265 S N 0.623 116.349 115.700 0.043 0.000 2.558 265 S HA 0.312 4.782 4.470 -0.000 0.000 0.293 265 S C -0.628 173.989 174.600 0.028 0.000 1.292 265 S CA 0.293 58.514 58.200 0.036 0.000 1.063 265 S CB 0.540 63.762 63.200 0.037 0.000 0.831 265 S HN 0.370 nan 8.310 nan 0.000 0.499 266 D N 3.089 123.503 120.400 0.024 0.000 2.329 266 D HA 0.556 5.196 4.640 -0.000 0.000 0.232 266 D C -1.808 174.502 176.300 0.016 0.000 1.088 266 D CA -1.410 52.601 54.000 0.018 0.000 0.835 266 D CB -0.324 40.485 40.800 0.016 0.000 1.078 266 D HN 0.355 nan 8.370 nan 0.000 0.495 277 G N 2.772 111.591 108.800 0.032 0.000 2.634 277 G HA2 0.652 4.612 3.960 -0.000 0.000 0.309 277 G HA3 0.652 4.612 3.960 -0.000 0.000 0.309 277 G C -1.585 173.075 174.900 -0.401 0.000 1.299 277 G CA -0.475 44.493 45.100 -0.220 0.000 0.798 277 G HN 0.541 nan 8.290 nan 0.000 0.490 278 E N 0.227 120.089 120.200 -0.563 0.000 2.206 278 E HA 0.457 4.806 4.350 -0.000 0.000 0.244 278 E C -0.879 175.458 176.600 -0.438 0.000 1.055 278 E CA -0.376 55.830 56.400 -0.322 0.000 0.970 278 E CB 0.070 29.683 29.700 -0.145 0.000 1.256 278 E HN 0.399 nan 8.360 nan 0.000 0.456 279 Y N 2.057 122.329 120.300 -0.046 0.000 2.625 279 Y HA 0.356 4.906 4.550 -0.000 0.000 0.285 279 Y C -0.067 175.749 175.900 -0.141 0.000 1.168 279 Y CA -0.280 57.751 58.100 -0.115 0.000 1.250 279 Y CB 0.270 38.663 38.460 -0.111 0.000 1.130 279 Y HN 0.172 nan 8.280 nan 0.000 0.526 280 L N -0.439 120.779 121.223 -0.009 0.000 2.434 280 L HA 0.690 5.030 4.340 -0.000 0.000 0.260 280 L C -0.560 176.305 176.870 -0.007 0.000 0.983 280 L CA -0.868 53.961 54.840 -0.017 0.000 0.820 280 L CB 2.512 44.571 42.059 0.000 0.000 1.361 280 L HN -0.152 nan 8.230 nan 0.000 0.410 281 S N 2.236 117.936 115.700 -0.000 0.000 2.543 281 S HA 0.754 5.224 4.470 -0.000 0.000 0.273 281 S C -1.768 172.861 174.600 0.049 0.000 1.152 281 S CA -0.528 57.689 58.200 0.029 0.000 0.910 281 S CB 1.664 64.873 63.200 0.015 0.000 1.105 281 S HN 0.514 nan 8.310 nan 0.000 0.465 282 L N 3.479 124.743 121.223 0.069 0.000 2.406 282 L HA 0.801 5.141 4.340 -0.000 0.000 0.272 282 L C -1.678 175.243 176.870 0.084 0.000 0.980 282 L CA -0.557 54.329 54.840 0.076 0.000 0.831 282 L CB 1.511 43.609 42.059 0.065 0.000 1.253 282 L HN 0.662 nan 8.230 nan 0.000 0.406 283 Y N 5.245 125.529 120.300 -0.027 0.000 2.341 283 Y HA 0.528 5.078 4.550 -0.000 0.000 0.338 283 Y C 0.800 176.662 175.900 -0.064 0.000 0.965 283 Y CA 0.025 58.092 58.100 -0.056 0.000 1.108 283 Y CB 0.907 39.330 38.460 -0.062 0.000 1.180 283 Y HN 1.016 nan 8.280 nan 0.000 0.458 284 N N 2.201 120.649 118.700 -0.421 0.000 1.170 284 N HA -0.361 4.379 4.740 -0.000 0.000 0.121 284 N C 0.198 175.632 175.510 -0.125 0.000 0.786 284 N CA 1.845 54.726 53.050 -0.282 0.000 0.876 284 N CB -0.696 37.749 38.487 -0.071 0.000 1.094 284 N HN 0.858 nan 8.380 nan 0.000 0.586 285 N N 0.405 119.145 118.700 0.067 0.000 2.398 285 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 285 N C -0.262 175.380 175.510 0.220 0.000 1.122 285 N CA 0.630 53.815 53.050 0.226 0.000 0.866 285 N CB -0.027 38.609 38.487 0.248 0.000 0.970 285 N HN 0.374 nan 8.380 nan 0.000 0.462 286 T N 1.593 116.264 114.554 0.196 0.000 2.767 286 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 286 T C -0.187 174.606 174.700 0.155 0.000 0.963 286 T CA -0.556 61.660 62.100 0.194 0.000 1.019 286 T CB 1.640 70.638 68.868 0.218 0.000 0.923 286 T HN -0.000 nan 8.240 nan 0.000 0.468 287 L N 4.250 125.549 121.223 0.125 0.000 2.362 287 L HA 0.784 5.123 4.340 -0.000 0.000 0.275 287 L C -1.240 175.662 176.870 0.053 0.000 0.998 287 L CA -0.646 54.245 54.840 0.085 0.000 0.820 287 L CB 1.766 43.868 42.059 0.072 0.000 1.270 287 L HN 0.445 nan 8.230 nan 0.000 0.415 288 V N 3.430 123.359 119.914 0.024 0.000 2.448 288 V HA 0.660 4.780 4.120 -0.000 0.000 0.295 288 V C -0.339 175.700 176.094 -0.092 0.000 1.025 288 V CA -0.271 62.019 62.300 -0.016 0.000 0.859 288 V CB 2.043 33.868 31.823 0.002 0.000 0.988 288 V HN 0.917 nan 8.190 nan 0.000 0.431 289 T N 4.272 118.749 114.554 -0.128 0.000 2.841 289 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 289 T C -0.797 173.729 174.700 -0.290 0.000 1.000 289 T CA -0.661 61.342 62.100 -0.162 0.000 0.977 289 T CB 1.978 70.789 68.868 -0.095 0.000 0.979 289 T HN 0.374 nan 8.240 nan 0.000 0.446 290 L N 4.211 125.241 121.223 -0.321 0.000 2.289 290 L HA 0.616 4.956 4.340 -0.000 0.000 0.285 290 L C -1.047 175.745 176.870 -0.130 0.000 1.049 290 L CA -1.146 53.462 54.840 -0.386 0.000 0.804 290 L CB 0.429 42.276 42.059 -0.352 0.000 1.195 290 L HN 0.718 nan 8.230 nan 0.000 0.428 291 L N 5.965 127.169 121.223 -0.032 0.000 2.322 291 L HA 0.473 4.813 4.340 -0.000 0.000 0.269 291 L C -1.649 175.246 176.870 0.042 0.000 1.012 291 L CA -1.711 53.124 54.840 -0.008 0.000 0.815 291 L CB 1.427 43.496 42.059 0.016 0.000 1.295 291 L HN 0.345 nan 8.230 nan 0.000 0.438 292 P HA -0.032 nan 4.420 nan 0.000 0.216 292 P C -0.046 177.294 177.300 0.066 0.000 1.153 292 P CA 1.167 64.280 63.100 0.022 0.000 0.844 292 P CB 0.331 32.018 31.700 -0.022 0.000 0.787 293 L N -6.045 115.214 121.223 0.060 0.000 2.485 293 L HA 0.529 4.869 4.340 -0.000 0.000 0.245 293 L C 0.814 177.722 176.870 0.063 0.000 1.137 293 L CA -0.871 54.007 54.840 0.063 0.000 0.954 293 L CB 0.730 42.815 42.059 0.044 0.000 1.560 293 L HN -0.470 nan 8.230 nan 0.000 0.403 294 E N 0.226 120.458 120.200 0.052 0.000 2.072 294 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 294 E C 0.065 176.696 176.600 0.051 0.000 0.985 294 E CA 1.213 57.639 56.400 0.044 0.000 0.801 294 E CB 0.105 29.824 29.700 0.032 0.000 0.750 294 E HN 0.484 nan 8.360 nan 0.000 0.452 295 N N -0.954 117.777 118.700 0.053 0.000 2.459 295 N HA 0.307 5.047 4.740 -0.000 0.000 0.288 295 N C -0.679 174.890 175.510 0.098 0.000 1.186 295 N CA -0.251 52.829 53.050 0.049 0.000 0.917 295 N CB 1.334 39.822 38.487 0.002 0.000 1.219 295 N HN 0.039 nan 8.380 nan 0.000 0.525 296 G N 0.907 109.787 108.800 0.133 0.000 2.192 296 G HA2 0.181 4.141 3.960 -0.000 0.000 0.258 296 G HA3 0.181 4.141 3.960 -0.000 0.000 0.258 296 G C -0.289 174.784 174.900 0.288 0.000 1.185 296 G CA 0.211 45.476 45.100 0.276 0.000 0.976 296 G HN 0.443 nan 8.290 nan 0.000 0.446 297 L N 2.596 123.988 121.223 0.281 0.000 2.272 297 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 297 L C -0.325 176.760 176.870 0.358 0.000 1.032 297 L CA -0.583 54.406 54.840 0.248 0.000 0.810 297 L CB 1.397 43.541 42.059 0.141 0.000 1.205 297 L HN 0.433 nan 8.230 nan 0.000 0.422 298 F N 2.668 122.662 119.950 0.074 0.000 2.361 298 F HA 0.285 4.812 4.527 -0.000 0.000 0.364 298 F C 0.566 176.373 175.800 0.011 0.000 1.120 298 F CA -0.597 57.436 58.000 0.054 0.000 1.102 298 F CB 1.635 40.661 39.000 0.043 0.000 1.183 298 F HN 0.511 nan 8.300 nan 0.000 0.476 315 F N 2.567 122.488 119.950 -0.047 0.000 2.506 315 F HA 0.551 5.078 4.527 -0.000 0.000 0.351 315 F C 1.000 176.799 175.800 -0.002 0.000 1.136 315 F CA 0.154 58.154 58.000 -0.001 0.000 1.298 315 F CB 0.872 39.885 39.000 0.021 0.000 1.145 315 F HN 0.098 nan 8.300 nan 0.000 0.593 316 Q N 3.883 123.706 119.800 0.038 0.000 3.122 316 Q HA 0.275 4.615 4.340 -0.000 0.000 0.282 316 Q C -1.718 174.341 176.000 0.098 0.000 0.947 316 Q CA -0.600 55.210 55.803 0.011 0.000 0.812 316 Q CB 0.824 29.517 28.738 -0.075 0.000 1.333 316 Q HN 0.646 nan 8.270 nan 0.000 0.430 317 N N 1.150 119.953 118.700 0.172 0.000 2.452 317 N HA 0.582 5.322 4.740 -0.000 0.000 0.277 317 N C -0.973 174.641 175.510 0.173 0.000 1.078 317 N CA -0.618 52.543 53.050 0.185 0.000 0.947 317 N CB 1.540 40.185 38.487 0.264 0.000 1.655 317 N HN 0.123 nan 8.380 nan 0.000 0.490 318 N N 0.168 118.953 118.700 0.142 0.000 3.501 318 N HA 0.162 4.902 4.740 -0.000 0.000 0.275 318 N C -1.959 173.635 175.510 0.139 0.000 1.320 318 N CA -0.556 52.580 53.050 0.143 0.000 0.776 318 N CB 0.826 39.401 38.487 0.147 0.000 1.623 318 N HN 0.505 nan 8.380 nan 0.000 0.377 319 I N 2.555 123.227 120.570 0.169 0.000 2.336 319 I HA 0.565 4.735 4.170 -0.000 0.000 0.292 319 I C -2.330 173.853 176.117 0.109 0.000 0.991 319 I CA -1.621 59.784 61.300 0.174 0.000 1.227 319 I CB 1.119 39.299 38.000 0.300 0.000 1.366 319 I HN 0.334 nan 8.210 nan 0.000 0.466 320 P HA 0.236 nan 4.420 nan 0.000 0.274 320 P C -0.593 176.690 177.300 -0.028 0.000 1.237 320 P CA 0.024 63.154 63.100 0.048 0.000 0.793 320 P CB 0.957 32.702 31.700 0.076 0.000 0.977 321 T N -1.207 113.313 114.554 -0.056 0.000 2.907 321 T HA 0.404 4.753 4.350 -0.000 0.000 0.292 321 T C 0.133 174.816 174.700 -0.030 0.000 1.043 321 T CA -0.855 61.121 62.100 -0.206 0.000 1.003 321 T CB 0.940 69.423 68.868 -0.640 0.000 1.084 321 T HN 0.184 nan 8.240 nan 0.000 0.483 322 N N 0.889 119.588 118.700 -0.002 0.000 2.327 322 N HA 0.566 5.306 4.740 -0.000 0.000 0.257 322 N C -0.412 175.142 175.510 0.073 0.000 1.281 322 N CA -0.608 52.482 53.050 0.067 0.000 0.942 322 N CB 0.213 38.737 38.487 0.062 0.000 1.199 322 N HN 0.620 nan 8.380 nan 0.000 0.532 323 L N -0.416 120.757 121.223 -0.082 0.000 2.301 323 L HA 0.450 4.790 4.340 -0.000 0.000 0.264 323 L C -0.214 176.300 176.870 -0.592 0.000 1.016 323 L CA -0.865 53.738 54.840 -0.394 0.000 0.821 323 L CB 1.887 43.812 42.059 -0.224 0.000 1.346 323 L HN 0.332 nan 8.230 nan 0.000 0.429 324 S N 0.812 115.939 115.700 -0.956 0.000 2.480 324 S HA 0.832 5.302 4.470 -0.000 0.000 0.286 324 S C -0.353 173.877 174.600 -0.617 0.000 1.180 324 S CA -0.586 57.180 58.200 -0.724 0.000 1.075 324 S CB 1.718 64.418 63.200 -0.833 0.000 0.996 324 S HN 0.703 nan 8.310 nan 0.000 0.487 325 A N 1.306 123.900 122.820 -0.376 0.000 2.608 325 A HA 0.848 5.168 4.320 -0.000 0.000 0.292 325 A C 0.212 177.743 177.584 -0.089 0.000 1.066 325 A CA -0.215 51.664 52.037 -0.263 0.000 0.676 325 A CB 1.242 20.120 19.000 -0.204 0.000 1.277 325 A HN 0.711 nan 8.150 nan 0.000 0.413 326 S N -0.504 115.227 115.700 0.051 0.000 3.952 326 S HA 0.583 5.053 4.470 -0.000 0.000 0.211 326 S C 1.049 175.692 174.600 0.072 0.000 1.098 326 S CA 1.590 59.825 58.200 0.058 0.000 0.954 326 S CB -0.687 62.550 63.200 0.062 0.000 1.222 326 S HN 2.207 nan 8.310 nan 0.000 0.585 327 A N 1.930 124.816 122.820 0.111 0.000 2.529 327 A HA 0.684 5.004 4.320 -0.000 0.000 0.269 327 A C -0.237 177.294 177.584 -0.089 0.000 1.509 327 A CA -0.490 51.522 52.037 -0.043 0.000 0.857 327 A CB -0.104 18.799 19.000 -0.162 0.000 1.531 327 A HN 0.500 nan 8.150 nan 0.000 0.541 328 I N -0.047 120.375 120.570 -0.246 0.000 2.321 328 I HA 0.243 4.412 4.170 -0.000 0.000 0.291 328 I C -1.420 174.506 176.117 -0.319 0.000 0.998 328 I CA 0.046 61.250 61.300 -0.161 0.000 1.227 328 I CB 0.455 38.411 38.000 -0.073 0.000 1.368 328 I HN 0.598 nan 8.210 nan 0.000 0.466 329 W N 5.011 126.323 121.300 0.020 0.000 2.666 329 W HA 0.479 5.139 4.660 -0.000 0.000 0.334 329 W C -0.148 176.538 176.519 0.278 0.000 1.051 329 W CA -0.593 56.816 57.345 0.107 0.000 1.224 329 W CB 1.654 31.064 29.460 -0.083 0.000 1.405 329 W HN 0.415 nan 8.180 nan 0.000 0.513 330 S N 2.853 118.893 115.700 0.566 0.000 2.519 330 S HA 0.515 4.985 4.470 -0.000 0.000 0.309 330 S C -0.729 174.128 174.600 0.430 0.000 1.100 330 S CA -0.889 57.586 58.200 0.459 0.000 1.059 330 S CB 1.473 64.838 63.200 0.275 0.000 1.008 330 S HN 0.597 nan 8.310 nan 0.000 0.478 331 I N 3.731 124.462 120.570 0.268 0.000 2.710 331 I HA 0.047 4.217 4.170 -0.000 0.000 0.286 331 I C 0.408 176.484 176.117 -0.068 0.000 1.181 331 I CA 0.064 61.279 61.300 -0.141 0.000 1.430 331 I CB 0.662 38.513 38.000 -0.249 0.000 1.367 331 I HN 0.601 nan 8.210 nan 0.000 0.577 332 V N 5.988 125.843 119.914 -0.099 0.000 2.581 332 V HA 0.154 4.274 4.120 -0.000 0.000 0.240 332 V C 0.530 176.585 176.094 -0.065 0.000 1.054 332 V CA 0.951 63.234 62.300 -0.028 0.000 1.076 332 V CB -0.318 31.509 31.823 0.007 0.000 0.748 332 V HN 0.839 nan 8.190 nan 0.000 0.474 333 D N -1.752 118.574 120.400 -0.123 0.000 2.639 333 D HA 0.457 5.097 4.640 -0.000 0.000 0.271 333 D C -1.900 174.314 176.300 -0.144 0.000 1.254 333 D CA -0.329 53.609 54.000 -0.104 0.000 0.810 333 D CB 2.484 43.257 40.800 -0.045 0.000 1.351 333 D HN 0.029 nan 8.370 nan 0.000 0.427 334 L N 1.516 122.680 121.223 -0.098 0.000 2.543 334 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 334 L C -1.741 175.108 176.870 -0.036 0.000 0.945 334 L CA -0.557 54.233 54.840 -0.084 0.000 0.869 334 L CB 1.849 43.849 42.059 -0.099 0.000 1.294 334 L HN 0.223 nan 8.230 nan 0.000 0.405 335 V N 4.874 124.773 119.914 -0.024 0.000 2.733 335 V HA 0.446 4.566 4.120 -0.000 0.000 0.306 335 V C -0.984 175.110 176.094 -0.001 0.000 1.084 335 V CA -0.517 61.784 62.300 0.001 0.000 0.905 335 V CB 2.339 34.164 31.823 0.004 0.000 1.010 335 V HN 0.550 nan 8.190 nan 0.000 0.424 336 L N 5.603 126.841 121.223 0.024 0.000 2.319 336 L HA 0.910 5.250 4.340 -0.000 0.000 0.281 336 L C 0.045 176.902 176.870 -0.022 0.000 1.005 336 L CA 0.668 55.504 54.840 -0.008 0.000 0.828 336 L CB 1.643 43.719 42.059 0.028 0.000 1.227 336 L HN 0.964 nan 8.230 nan 0.000 0.415 337 T N 1.325 115.756 114.554 -0.205 0.000 2.681 337 T HA 0.823 5.173 4.350 -0.000 0.000 0.296 337 T C 0.204 174.556 174.700 -0.580 0.000 1.157 337 T CA -0.179 61.716 62.100 -0.343 0.000 1.025 337 T CB 0.722 69.562 68.868 -0.046 0.000 1.441 337 T HN 0.768 nan 8.240 nan 0.000 0.504 338 R N 0.426 120.657 120.500 -0.448 0.000 2.827 338 R HA 0.591 4.931 4.340 -0.000 0.000 0.269 338 R C -2.600 173.587 176.300 -0.188 0.000 1.048 338 R CA -0.784 55.125 56.100 -0.318 0.000 1.173 338 R CB -1.972 28.263 30.300 -0.108 0.000 1.070 338 R HN 0.776 nan 8.270 nan 0.000 0.498 339 P HA 0.296 nan 4.420 nan 0.000 0.271 339 P C -0.740 176.551 177.300 -0.014 0.000 1.218 339 P CA -0.204 62.850 63.100 -0.076 0.000 0.780 339 P CB 0.520 32.188 31.700 -0.053 0.000 0.901 340 L N 0.666 121.897 121.223 0.013 0.000 2.334 340 L HA 0.432 4.772 4.340 -0.000 0.000 0.272 340 L C 0.702 177.598 176.870 0.044 0.000 1.020 340 L CA -1.044 53.838 54.840 0.071 0.000 0.812 340 L CB 0.743 42.877 42.059 0.126 0.000 1.264 340 L HN 0.266 nan 8.230 nan 0.000 0.439 341 E N 2.625 122.864 120.200 0.064 0.000 2.493 341 E HA 0.202 4.552 4.350 -0.000 0.000 0.255 341 E C -1.188 175.408 176.600 -0.007 0.000 0.999 341 E CA -0.018 56.401 56.400 0.032 0.000 0.934 341 E CB 0.465 30.192 29.700 0.046 0.000 0.940 341 E HN 0.255 nan 8.360 nan 0.000 0.473 342 L N 1.240 122.456 121.223 -0.012 0.000 2.424 342 L HA 0.430 4.770 4.340 -0.000 0.000 0.258 342 L C -0.477 176.383 176.870 -0.017 0.000 0.995 342 L CA -1.165 53.659 54.840 -0.028 0.000 0.821 342 L CB 0.960 43.004 42.059 -0.025 0.000 1.383 342 L HN 0.144 nan 8.230 nan 0.000 0.410 343 N N 1.346 120.032 118.700 -0.023 0.000 2.508 343 N HA 0.522 5.262 4.740 -0.000 0.000 0.253 343 N C -1.252 174.256 175.510 -0.003 0.000 1.145 343 N CA 0.223 53.266 53.050 -0.012 0.000 0.973 343 N CB 0.138 38.615 38.487 -0.017 0.000 1.305 343 N HN 0.611 nan 8.380 nan 0.000 0.506 344 V N 1.406 121.322 119.914 0.004 0.000 3.258 344 V HA 0.260 4.380 4.120 -0.000 0.000 0.299 344 V C -0.114 175.989 176.094 0.014 0.000 1.376 344 V CA -1.017 61.288 62.300 0.010 0.000 1.063 344 V CB 2.103 33.931 31.823 0.009 0.000 1.103 344 V HN 0.466 nan 8.190 nan 0.000 0.451 345 E N 0.902 121.113 120.200 0.018 0.000 2.376 345 E HA 0.539 4.889 4.350 -0.000 0.000 0.254 345 E C 0.130 176.746 176.600 0.026 0.000 1.213 345 E CA -0.130 56.282 56.400 0.020 0.000 0.945 345 E CB 0.777 30.488 29.700 0.019 0.000 1.057 345 E HN 0.897 nan 8.360 nan 0.000 0.479 346 A N 1.206 124.044 122.820 0.029 0.000 2.540 346 A HA 0.168 4.488 4.320 -0.000 0.000 0.239 346 A C 0.126 177.742 177.584 0.053 0.000 1.061 346 A CA 0.253 52.314 52.037 0.039 0.000 0.758 346 A CB -0.151 18.874 19.000 0.042 0.000 0.991 346 A HN 0.501 nan 8.150 nan 0.000 0.502 347 S N 1.263 116.998 115.700 0.060 0.000 2.536 347 S HA 0.491 4.961 4.470 -0.000 0.000 0.287 347 S C -0.218 174.448 174.600 0.111 0.000 1.101 347 S CA -0.317 57.930 58.200 0.079 0.000 0.950 347 S CB 1.154 64.378 63.200 0.040 0.000 1.056 347 S HN 1.148 nan 8.310 nan 0.000 0.481 348 Y N 3.393 123.690 120.300 -0.006 0.000 2.462 348 Y HA 0.596 5.146 4.550 -0.000 0.000 0.261 348 Y C -0.349 175.517 175.900 -0.057 0.000 1.146 348 Y CA -0.103 57.987 58.100 -0.017 0.000 1.283 348 Y CB 0.179 38.642 38.460 0.004 0.000 1.090 348 Y HN 0.648 nan 8.280 nan 0.000 0.526 349 L N -0.014 121.101 121.223 -0.182 0.000 2.654 349 L HA 0.397 4.737 4.340 -0.000 0.000 0.257 349 L C -1.526 175.228 176.870 -0.193 0.000 1.093 349 L CA -1.264 53.379 54.840 -0.329 0.000 0.903 349 L CB 2.230 44.075 42.059 -0.357 0.000 1.520 349 L HN -0.130 nan 8.230 nan 0.000 0.402 350 N N 0.988 119.554 118.700 -0.224 0.000 2.454 350 N HA 0.536 5.276 4.740 -0.000 0.000 0.291 350 N C -1.699 173.719 175.510 -0.154 0.000 1.079 350 N CA -0.298 52.656 53.050 -0.160 0.000 0.893 350 N CB 2.261 40.676 38.487 -0.120 0.000 1.512 350 N HN 0.274 nan 8.380 nan 0.000 0.497 351 L N 4.117 125.250 121.223 -0.150 0.000 2.294 351 L HA 0.618 4.958 4.340 -0.000 0.000 0.283 351 L C -1.124 175.675 176.870 -0.119 0.000 1.015 351 L CA -0.443 54.327 54.840 -0.117 0.000 0.831 351 L CB 0.330 42.329 42.059 -0.100 0.000 1.217 351 L HN 0.519 nan 8.230 nan 0.000 0.420 352 I N 5.878 126.402 120.570 -0.077 0.000 2.371 352 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 352 I C -0.517 175.549 176.117 -0.085 0.000 1.028 352 I CA -0.667 60.588 61.300 -0.076 0.000 1.345 352 I CB 1.220 39.186 38.000 -0.056 0.000 1.407 352 I HN 0.276 nan 8.210 nan 0.000 0.501 353 V N 7.207 127.059 119.914 -0.103 0.000 2.656 353 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 353 V C -0.261 175.693 176.094 -0.234 0.000 1.051 353 V CA -0.684 61.481 62.300 -0.225 0.000 0.893 353 V CB 2.520 34.131 31.823 -0.354 0.000 0.999 353 V HN 0.529 nan 8.190 nan 0.000 0.426 354 L N 4.263 125.298 121.223 -0.313 0.000 2.333 354 L HA 0.576 4.916 4.340 -0.000 0.000 0.280 354 L C -1.287 175.469 176.870 -0.189 0.000 1.004 354 L CA -0.209 54.531 54.840 -0.167 0.000 0.820 354 L CB 1.692 43.681 42.059 -0.117 0.000 1.247 354 L HN 0.650 nan 8.230 nan 0.000 0.416 355 W N 4.215 125.541 121.300 0.043 0.000 2.736 355 W HA 0.483 5.143 4.660 -0.000 0.000 0.355 355 W C -0.462 176.217 176.519 0.266 0.000 1.102 355 W CA -0.779 56.657 57.345 0.152 0.000 1.164 355 W CB 2.289 31.792 29.460 0.072 0.000 1.422 355 W HN 0.366 nan 8.180 nan 0.000 0.572 356 K N 1.176 121.955 120.400 0.632 0.000 2.581 356 K HA 0.308 4.628 4.320 -0.000 0.000 0.249 356 K C -1.454 175.325 176.600 0.298 0.000 0.966 356 K CA -0.235 56.312 56.287 0.432 0.000 0.811 356 K CB 1.878 34.497 32.500 0.198 0.000 1.223 356 K HN 0.239 nan 8.250 nan 0.000 0.438 357 S N 3.528 119.247 115.700 0.031 0.000 2.528 357 S HA 0.551 5.021 4.470 -0.000 0.000 0.303 357 S C 0.467 174.972 174.600 -0.158 0.000 1.123 357 S CA 0.641 58.660 58.200 -0.301 0.000 1.138 357 S CB 0.113 62.721 63.200 -0.986 0.000 0.984 357 S HN 1.097 nan 8.310 nan 0.000 0.474 358 G N 4.216 112.980 108.800 -0.060 0.000 2.574 358 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.286 358 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.286 358 G C 1.136 176.030 174.900 -0.010 0.000 1.212 358 G CA 1.114 46.201 45.100 -0.021 0.000 0.979 358 G HN 1.468 nan 8.290 nan 0.000 0.557 359 T N -0.468 114.083 114.554 -0.004 0.000 2.708 359 T HA 0.283 4.633 4.350 -0.000 0.000 0.266 359 T C 1.712 176.424 174.700 0.020 0.000 1.037 359 T CA 2.268 64.367 62.100 -0.002 0.000 1.146 359 T CB -0.693 68.189 68.868 0.024 0.000 0.865 359 T HN 2.225 nan 8.240 nan 0.000 0.435 360 A N 2.137 124.983 122.820 0.044 0.000 2.520 360 A HA 0.519 4.839 4.320 -0.000 0.000 0.245 360 A C 0.635 178.357 177.584 0.228 0.000 1.072 360 A CA -0.241 51.868 52.037 0.121 0.000 0.761 360 A CB -0.098 18.969 19.000 0.112 0.000 1.004 360 A HN 0.808 nan 8.150 nan 0.000 0.499 361 S N 1.912 117.775 115.700 0.271 0.000 2.566 361 S HA 0.740 5.210 4.470 -0.000 0.000 0.298 361 S C -0.637 174.151 174.600 0.313 0.000 1.083 361 S CA -0.928 57.468 58.200 0.326 0.000 0.978 361 S CB 1.826 65.140 63.200 0.190 0.000 1.073 361 S HN 0.775 nan 8.310 nan 0.000 0.491 362 K N 1.347 121.898 120.400 0.251 0.000 2.426 362 K HA 0.574 4.894 4.320 -0.000 0.000 0.254 362 K C -1.910 174.719 176.600 0.048 0.000 0.936 362 K CA -0.839 55.469 56.287 0.035 0.000 0.801 362 K CB 1.453 33.724 32.500 -0.381 0.000 1.139 362 K HN 0.683 nan 8.250 nan 0.000 0.424 363 L N 3.515 124.699 121.223 -0.064 0.000 2.307 363 L HA 0.418 4.758 4.340 -0.000 0.000 0.284 363 L C -1.131 175.712 176.870 -0.046 0.000 1.023 363 L CA 0.121 54.863 54.840 -0.163 0.000 0.810 363 L CB 1.645 43.333 42.059 -0.619 0.000 1.231 363 L HN 0.722 nan 8.230 nan 0.000 0.423 364 Q N 4.251 124.085 119.800 0.057 0.000 2.456 364 Q HA 0.642 4.982 4.340 -0.000 0.000 0.283 364 Q C -1.538 174.495 176.000 0.055 0.000 1.084 364 Q CA -0.676 55.215 55.803 0.147 0.000 0.801 364 Q CB 3.038 32.044 28.738 0.447 0.000 1.434 364 Q HN 0.558 nan 8.270 nan 0.000 0.419 365 I N 1.632 122.210 120.570 0.012 0.000 2.608 365 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 365 I C -1.149 174.829 176.117 -0.232 0.000 1.049 365 I CA -0.920 60.321 61.300 -0.098 0.000 1.063 365 I CB 1.682 39.639 38.000 -0.072 0.000 1.248 365 I HN 0.299 nan 8.210 nan 0.000 0.424 366 L N 4.999 126.001 121.223 -0.368 0.000 2.305 366 L HA 0.406 4.745 4.340 -0.000 0.000 0.284 366 L C -0.401 176.290 176.870 -0.297 0.000 1.013 366 L CA -0.422 54.081 54.840 -0.561 0.000 0.819 366 L CB 1.518 43.084 42.059 -0.821 0.000 1.227 366 L HN 0.587 nan 8.230 nan 0.000 0.417 367 N N 2.977 121.554 118.700 -0.205 0.000 2.498 367 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 367 N C -1.059 174.436 175.510 -0.026 0.000 1.097 367 N CA -0.191 52.807 53.050 -0.086 0.000 0.973 367 N CB 1.668 40.134 38.487 -0.035 0.000 1.153 367 N HN 0.266 nan 8.380 nan 0.000 0.472 368 V N 2.621 122.549 119.914 0.024 0.000 3.007 368 V HA 0.455 4.575 4.120 -0.000 0.000 0.311 368 V C -0.184 176.013 176.094 0.172 0.000 1.120 368 V CA -1.083 61.289 62.300 0.120 0.000 0.980 368 V CB 2.078 33.977 31.823 0.126 0.000 1.033 368 V HN 0.706 nan 8.190 nan 0.000 0.429 369 N N 1.281 120.097 118.700 0.194 0.000 2.489 369 N HA 0.294 5.034 4.740 -0.000 0.000 0.284 369 N C -0.903 174.669 175.510 0.102 0.000 1.158 369 N CA -0.822 52.315 53.050 0.146 0.000 0.965 369 N CB 1.353 39.898 38.487 0.097 0.000 1.195 369 N HN 0.707 nan 8.380 nan 0.000 0.506 370 D N 0.502 120.910 120.400 0.012 0.000 2.352 370 D HA -0.065 4.575 4.640 -0.000 0.000 0.238 370 D C 0.483 176.686 176.300 -0.161 0.000 1.286 370 D CA 0.906 54.749 54.000 -0.262 0.000 0.923 370 D CB 0.440 41.105 40.800 -0.226 0.000 1.146 370 D HN 0.576 nan 8.370 nan 0.000 0.471 371 E N -0.817 119.248 120.200 -0.226 0.000 4.217 371 E HA -0.229 4.121 4.350 -0.000 0.000 0.365 371 E C 0.314 176.881 176.600 -0.055 0.000 0.647 371 E CA 1.007 57.329 56.400 -0.129 0.000 1.399 371 E CB -1.953 27.682 29.700 -0.108 0.000 1.766 371 E HN 0.489 nan 8.360 nan 0.000 0.394 372 S N -0.888 114.758 115.700 -0.090 0.000 3.549 372 S HA -0.224 4.246 4.470 -0.000 0.000 0.366 372 S C -0.046 174.732 174.600 0.296 0.000 1.012 372 S CA 1.615 59.873 58.200 0.097 0.000 1.141 372 S CB -1.536 61.715 63.200 0.086 0.000 0.910 372 S HN 1.043 nan 8.310 nan 0.000 0.471 373 F N -2.941 117.044 119.950 0.058 0.000 0.905 373 F HA 0.104 4.631 4.527 -0.000 0.000 0.211 373 F C 0.498 176.339 175.800 0.068 0.000 0.802 373 F CA 1.190 59.253 58.000 0.104 0.000 2.721 373 F CB -1.538 37.543 39.000 0.134 0.000 3.559 373 F HN 0.214 nan 8.300 nan 0.000 0.235 374 K N 0.578 121.005 120.400 0.045 0.000 2.097 374 K HA 0.277 4.597 4.320 -0.000 0.000 0.206 374 K C 0.722 177.294 176.600 -0.047 0.000 1.049 374 K CA 2.256 58.481 56.287 -0.103 0.000 0.933 374 K CB -0.231 32.246 32.500 -0.039 0.000 0.717 374 K HN 0.545 nan 8.250 nan 0.000 0.442 375 N N -2.716 116.108 118.700 0.207 0.000 3.322 375 N HA 0.357 5.097 4.740 -0.000 0.000 0.233 375 N C -1.800 173.885 175.510 0.291 0.000 1.399 375 N CA -0.476 52.724 53.050 0.250 0.000 0.894 375 N CB 1.116 39.634 38.487 0.051 0.000 1.440 375 N HN 0.434 nan 8.380 nan 0.000 0.503 376 Y N -1.602 118.804 120.300 0.175 0.000 2.492 376 Y HA 0.740 5.290 4.550 -0.000 0.000 0.346 376 Y C -0.649 175.259 175.900 0.012 0.000 0.997 376 Y CA -0.848 57.269 58.100 0.028 0.000 1.025 376 Y CB 1.759 40.162 38.460 -0.096 0.000 1.263 376 Y HN 0.437 nan 8.280 nan 0.000 0.454 377 E N 2.877 123.172 120.200 0.158 0.000 2.212 377 E HA 0.391 4.741 4.350 -0.000 0.000 0.268 377 E C -2.032 174.622 176.600 0.089 0.000 0.902 377 E CA -0.870 55.614 56.400 0.140 0.000 0.779 377 E CB 1.261 31.005 29.700 0.072 0.000 1.172 377 E HN 0.742 nan 8.360 nan 0.000 0.409 378 W N 4.413 125.771 121.300 0.096 0.000 2.390 378 W HA 0.358 5.018 4.660 -0.000 0.000 0.312 378 W C -0.491 176.026 176.519 -0.002 0.000 1.123 378 W CA -0.529 56.834 57.345 0.029 0.000 1.202 378 W CB 0.887 30.348 29.460 0.001 0.000 1.251 378 W HN 0.315 nan 8.180 nan 0.000 0.511 379 I N 3.920 124.595 120.570 0.175 0.000 2.404 379 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 379 I C 0.401 176.580 176.117 0.103 0.000 0.992 379 I CA -1.312 60.047 61.300 0.098 0.000 1.149 379 I CB 1.086 39.098 38.000 0.021 0.000 1.315 379 I HN 0.404 nan 8.210 nan 0.000 0.446 380 E N 3.536 123.773 120.200 0.063 0.000 2.284 380 E HA 0.683 5.033 4.350 -0.000 0.000 0.255 380 E C -0.436 176.164 176.600 0.000 0.000 1.052 380 E CA -0.341 56.077 56.400 0.030 0.000 0.904 380 E CB 2.053 31.758 29.700 0.008 0.000 1.217 380 E HN 0.659 nan 8.360 nan 0.000 0.438 381 S N -1.691 114.005 115.700 -0.007 0.000 2.550 381 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 381 S C -0.760 173.839 174.600 -0.001 0.000 1.145 381 S CA -0.960 57.236 58.200 -0.006 0.000 0.852 381 S CB 0.841 64.068 63.200 0.045 0.000 1.119 381 S HN 0.131 nan 8.310 nan 0.000 0.465 382 V N 3.353 123.219 119.914 -0.080 0.000 2.446 382 V HA 0.224 4.344 4.120 -0.000 0.000 0.276 382 V C 0.601 176.728 176.094 0.055 0.000 1.030 382 V CA -0.400 61.848 62.300 -0.088 0.000 1.033 382 V CB -0.162 31.447 31.823 -0.356 0.000 0.993 382 V HN 0.915 nan 8.190 nan 0.000 0.477 383 N N 3.901 122.665 118.700 0.106 0.000 2.314 383 N HA 0.145 4.885 4.740 -0.000 0.000 0.200 383 N C 0.123 175.720 175.510 0.144 0.000 1.135 383 N CA 0.187 53.347 53.050 0.184 0.000 0.835 383 N CB 0.489 39.080 38.487 0.173 0.000 0.989 383 N HN 0.635 nan 8.380 nan 0.000 0.478 384 K N -0.095 120.363 120.400 0.095 0.000 2.469 384 K HA 0.254 4.574 4.320 -0.000 0.000 0.254 384 K C -0.296 176.337 176.600 0.055 0.000 0.939 384 K CA -0.597 55.741 56.287 0.084 0.000 0.812 384 K CB 2.219 34.791 32.500 0.121 0.000 1.301 384 K HN -0.037 nan 8.250 nan 0.000 0.433 385 S N 1.715 117.437 115.700 0.036 0.000 2.584 385 S HA 0.023 4.493 4.470 -0.000 0.000 0.270 385 S C 1.163 175.824 174.600 0.103 0.000 1.346 385 S CA -0.401 57.819 58.200 0.033 0.000 1.018 385 S CB 0.612 63.816 63.200 0.008 0.000 0.899 385 S HN 0.659 nan 8.310 nan 0.000 0.542 386 L N 3.289 124.586 121.223 0.125 0.000 2.083 386 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 386 L C 2.295 179.230 176.870 0.108 0.000 1.083 386 L CA 1.603 56.529 54.840 0.144 0.000 0.752 386 L CB -0.714 41.389 42.059 0.073 0.000 0.899 386 L HN 0.713 nan 8.230 nan 0.000 0.433 387 V N 0.146 120.113 119.914 0.089 0.000 2.255 387 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 387 V C 2.329 178.451 176.094 0.047 0.000 1.051 387 V CA 2.120 64.461 62.300 0.068 0.000 1.018 387 V CB -0.893 30.942 31.823 0.020 0.000 0.641 387 V HN 0.491 nan 8.190 nan 0.000 0.445 388 D N 0.002 120.427 120.400 0.043 0.000 2.106 388 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 388 D C 2.060 178.435 176.300 0.125 0.000 0.997 388 D CA 1.256 55.294 54.000 0.063 0.000 0.834 388 D CB -0.425 40.417 40.800 0.071 0.000 0.956 388 D HN 0.208 nan 8.370 nan 0.000 0.448 389 L N 1.117 122.435 121.223 0.159 0.000 2.013 389 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 389 L C 2.483 179.495 176.870 0.237 0.000 1.073 389 L CA 1.529 56.505 54.840 0.227 0.000 0.753 389 L CB -1.121 41.042 42.059 0.173 0.000 0.890 389 L HN 0.137 nan 8.230 nan 0.000 0.432 390 Q N -1.105 118.792 119.800 0.162 0.000 2.135 390 Q HA -0.202 4.137 4.340 -0.000 0.000 0.204 390 Q C 2.306 178.385 176.000 0.131 0.000 0.981 390 Q CA 1.966 57.854 55.803 0.142 0.000 0.856 390 Q CB -0.208 28.596 28.738 0.111 0.000 0.902 390 Q HN 0.712 nan 8.270 nan 0.000 0.425 391 S N 0.286 116.053 115.700 0.112 0.000 2.387 391 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 391 S C 1.678 176.327 174.600 0.081 0.000 1.026 391 S CA 0.854 59.109 58.200 0.092 0.000 0.972 391 S CB -0.131 63.122 63.200 0.089 0.000 0.814 391 S HN 0.308 nan 8.310 nan 0.000 0.477 392 E N 0.876 121.134 120.200 0.097 0.000 2.028 392 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 392 E C 1.283 177.821 176.600 -0.104 0.000 0.988 392 E CA 1.150 57.541 56.400 -0.014 0.000 0.799 392 E CB -0.207 29.481 29.700 -0.020 0.000 0.755 392 E HN 0.707 nan 8.360 nan 0.000 0.447 393 H N 0.169 119.272 119.070 0.056 0.000 2.537 393 H HA 0.027 4.583 4.556 -0.000 0.000 0.295 393 H C -0.088 175.268 175.328 0.046 0.000 1.054 393 H CA 0.114 56.192 56.048 0.049 0.000 1.156 393 H CB 0.268 30.063 29.762 0.055 0.000 1.468 393 H HN 0.178 nan 8.280 nan 0.000 0.551 394 D N 0.716 121.190 120.400 0.122 0.000 2.792 394 D HA -0.194 4.446 4.640 -0.000 0.000 0.231 394 D C 1.006 177.366 176.300 0.099 0.000 1.160 394 D CA 0.081 54.134 54.000 0.088 0.000 0.697 394 D CB -0.987 39.847 40.800 0.057 0.000 1.070 394 D HN 0.225 nan 8.370 nan 0.000 0.426 395 L N 0.691 121.989 121.223 0.126 0.000 2.109 395 L HA 0.071 4.411 4.340 -0.000 0.000 0.207 395 L C 1.318 178.254 176.870 0.110 0.000 1.086 395 L CA 1.259 56.169 54.840 0.118 0.000 0.760 395 L CB -0.626 41.513 42.059 0.134 0.000 0.910 395 L HN 0.308 nan 8.230 nan 0.000 0.437 396 D N -0.519 119.942 120.400 0.102 0.000 2.493 396 D HA -0.073 4.567 4.640 -0.000 0.000 0.240 396 D C 0.790 177.148 176.300 0.096 0.000 1.142 396 D CA 0.362 54.418 54.000 0.093 0.000 0.872 396 D CB 1.169 42.014 40.800 0.077 0.000 1.173 396 D HN 0.060 nan 8.370 nan 0.000 0.467 397 I N 3.834 124.476 120.570 0.120 0.000 4.312 397 I HA -0.081 4.089 4.170 -0.000 0.000 0.324 397 I C 2.120 178.311 176.117 0.123 0.000 1.298 397 I CA 0.006 61.396 61.300 0.149 0.000 1.231 397 I CB 0.441 38.593 38.000 0.254 0.000 1.152 397 I HN 0.303 nan 8.210 nan 0.000 0.421 398 V N 0.649 120.583 119.914 0.032 0.000 2.427 398 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 398 V C 1.002 177.055 176.094 -0.068 0.000 1.051 398 V CA 1.476 63.717 62.300 -0.098 0.000 1.048 398 V CB -0.824 30.825 31.823 -0.290 0.000 0.666 398 V HN 0.390 nan 8.190 nan 0.000 0.456 399 T N 1.175 115.715 114.554 -0.023 0.000 2.900 399 T HA 0.242 4.592 4.350 -0.000 0.000 0.307 399 T C -0.017 174.689 174.700 0.011 0.000 1.065 399 T CA 0.056 62.149 62.100 -0.012 0.000 1.105 399 T CB 0.758 69.632 68.868 0.010 0.000 0.979 399 T HN 0.392 nan 8.240 nan 0.000 0.544 404 V N 0.811 120.783 119.914 0.097 0.000 2.407 404 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 404 V C 2.073 178.256 176.094 0.148 0.000 1.055 404 V CA 1.524 63.900 62.300 0.126 0.000 1.049 404 V CB -0.525 31.367 31.823 0.116 0.000 0.662 404 V HN 0.546 nan 8.190 nan 0.000 0.455 405 E N 1.034 121.307 120.200 0.120 0.000 2.058 405 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 405 E C 2.404 179.099 176.600 0.159 0.000 0.997 405 E CA 2.004 58.474 56.400 0.117 0.000 0.801 405 E CB -0.269 29.505 29.700 0.123 0.000 0.746 405 E HN 0.695 nan 8.360 nan 0.000 0.450 406 R N -0.561 120.010 120.500 0.118 0.000 2.075 406 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 406 R C 2.393 178.759 176.300 0.110 0.000 1.126 406 R CA 1.609 57.765 56.100 0.094 0.000 0.963 406 R CB -0.627 29.706 30.300 0.056 0.000 0.858 406 R HN 0.212 nan 8.270 nan 0.000 0.435 407 G N -0.209 108.669 108.800 0.130 0.000 2.422 407 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 407 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 407 G C 1.284 176.283 174.900 0.166 0.000 1.146 407 G CA 0.597 45.773 45.100 0.127 0.000 0.769 407 G HN 0.378 nan 8.290 nan 0.000 0.547 408 F N 1.054 121.042 119.950 0.064 0.000 2.075 408 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 408 F C 2.834 178.654 175.800 0.033 0.000 1.113 408 F CA 1.671 59.727 58.000 0.092 0.000 1.218 408 F CB -0.265 38.784 39.000 0.081 0.000 0.984 408 F HN 0.197 nan 8.300 nan 0.000 0.472 409 C N 0.607 119.986 119.300 0.131 0.000 2.413 409 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 409 C C 2.461 177.394 174.990 -0.096 0.000 1.265 409 C CA 1.172 60.173 59.018 -0.029 0.000 1.752 409 C CB -1.591 26.164 27.740 0.024 0.000 1.998 409 C HN 0.529 nan 8.230 nan 0.000 0.489 410 N N 1.112 119.795 118.700 -0.029 0.000 2.069 410 N HA -0.074 4.666 4.740 -0.000 0.000 0.191 410 N C 1.544 177.042 175.510 -0.019 0.000 1.031 410 N CA 1.182 54.215 53.050 -0.028 0.000 0.852 410 N CB -0.572 37.925 38.487 0.015 0.000 1.018 410 N HN 0.459 nan 8.380 nan 0.000 0.423 411 L N 0.783 122.012 121.223 0.011 0.000 2.083 411 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 411 L C 2.323 179.265 176.870 0.121 0.000 1.083 411 L CA 1.121 56.043 54.840 0.137 0.000 0.752 411 L CB -0.228 41.915 42.059 0.140 0.000 0.899 411 L HN 0.150 nan 8.230 nan 0.000 0.433 412 K N -0.838 119.391 120.400 -0.284 0.000 2.057 412 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 412 K C 2.396 178.860 176.600 -0.226 0.000 1.049 412 K CA 1.535 57.444 56.287 -0.629 0.000 0.931 412 K CB -0.064 31.888 32.500 -0.913 0.000 0.714 412 K HN 0.074 nan 8.250 nan 0.000 0.440 413 S N 0.134 115.728 115.700 -0.176 0.000 2.383 413 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 413 S C 1.895 176.413 174.600 -0.137 0.000 1.026 413 S CA 1.121 59.222 58.200 -0.165 0.000 0.981 413 S CB -0.141 62.947 63.200 -0.188 0.000 0.818 413 S HN 0.332 nan 8.310 nan 0.000 0.472 414 R N -1.134 119.329 120.500 -0.061 0.000 2.235 414 R HA 0.049 4.389 4.340 -0.000 0.000 0.213 414 R C -0.643 175.485 176.300 -0.288 0.000 1.059 414 R CA 0.731 56.736 56.100 -0.157 0.000 0.997 414 R CB 0.058 30.278 30.300 -0.132 0.000 0.884 414 R HN 0.352 nan 8.270 nan 0.000 0.462 415 Y N -1.395 118.890 120.300 -0.025 0.000 2.485 415 Y HA 0.478 5.028 4.550 -0.000 0.000 0.345 415 Y C 0.731 176.634 175.900 0.006 0.000 0.998 415 Y CA -1.039 57.065 58.100 0.006 0.000 1.059 415 Y CB 1.584 40.067 38.460 0.038 0.000 1.234 415 Y HN -0.021 nan 8.280 nan 0.000 0.461 416 G N -0.022 108.877 108.800 0.164 0.000 2.559 416 G HA2 0.202 4.162 3.960 -0.000 0.000 0.235 416 G HA3 0.202 4.162 3.960 -0.000 0.000 0.235 416 G C 1.019 176.004 174.900 0.141 0.000 1.266 416 G CA 0.152 45.324 45.100 0.119 0.000 0.847 416 G HN 0.844 nan 8.290 nan 0.000 0.583 417 T N -1.339 113.268 114.554 0.089 0.000 2.849 417 T HA -0.238 4.112 4.350 -0.000 0.000 0.270 417 T C 1.950 176.745 174.700 0.158 0.000 1.066 417 T CA 1.835 63.997 62.100 0.103 0.000 1.130 417 T CB -0.309 68.589 68.868 0.049 0.000 0.864 417 T HN 0.614 nan 8.240 nan 0.000 0.481 418 Q N 0.736 120.633 119.800 0.161 0.000 2.014 418 Q HA -0.124 4.216 4.340 -0.000 0.000 0.207 418 Q C 2.361 178.487 176.000 0.209 0.000 0.993 418 Q CA 2.057 57.987 55.803 0.211 0.000 0.850 418 Q CB -0.359 28.542 28.738 0.272 0.000 0.916 418 Q HN 0.675 nan 8.270 nan 0.000 0.417 419 I N 0.008 120.663 120.570 0.142 0.000 2.163 419 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 419 I C 2.247 178.312 176.117 -0.086 0.000 1.085 419 I CA 1.158 62.392 61.300 -0.110 0.000 1.347 419 I CB -0.302 37.637 38.000 -0.103 0.000 1.044 419 I HN 0.264 nan 8.210 nan 0.000 0.408 420 F N 1.572 121.462 119.950 -0.100 0.000 2.171 420 F HA -0.212 4.314 4.527 -0.000 0.000 0.300 420 F C 2.504 178.253 175.800 -0.084 0.000 1.090 420 F CA 1.703 59.618 58.000 -0.142 0.000 1.293 420 F CB -0.152 38.774 39.000 -0.124 0.000 1.013 420 F HN 0.038 nan 8.300 nan 0.000 0.486 421 E N -0.515 119.802 120.200 0.196 0.000 2.106 421 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 421 E C 2.209 178.838 176.600 0.049 0.000 0.984 421 E CA 0.932 57.417 56.400 0.142 0.000 0.806 421 E CB -0.146 29.642 29.700 0.146 0.000 0.750 421 E HN 0.144 nan 8.360 nan 0.000 0.458 422 R N 1.229 121.747 120.500 0.031 0.000 2.092 422 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 422 R C 1.891 178.141 176.300 -0.084 0.000 1.119 422 R CA 1.669 57.779 56.100 0.018 0.000 0.970 422 R CB -0.611 29.738 30.300 0.081 0.000 0.864 422 R HN 0.104 nan 8.270 nan 0.000 0.440 423 A N 0.415 123.108 122.820 -0.212 0.000 1.929 423 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 423 A C 1.988 179.432 177.584 -0.233 0.000 1.176 423 A CA 1.131 52.994 52.037 -0.290 0.000 0.628 423 A CB -0.390 18.315 19.000 -0.493 0.000 0.816 423 A HN 0.407 nan 8.150 nan 0.000 0.444 424 Q N -0.674 118.996 119.800 -0.216 0.000 2.030 424 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 424 Q C 2.256 178.254 176.000 -0.004 0.000 0.986 424 Q CA 2.052 57.811 55.803 -0.073 0.000 0.843 424 Q CB -0.413 28.344 28.738 0.032 0.000 0.904 424 Q HN 0.789 nan 8.270 nan 0.000 0.420 425 Q N 0.923 120.725 119.800 0.003 0.000 2.030 425 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 425 Q C 1.986 177.994 176.000 0.013 0.000 0.986 425 Q CA 1.449 57.266 55.803 0.024 0.000 0.843 425 Q CB -0.476 28.284 28.738 0.036 0.000 0.904 425 Q HN 0.393 nan 8.270 nan 0.000 0.420 426 I N -0.093 120.473 120.570 -0.007 0.000 2.194 426 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 426 I C 2.103 178.215 176.117 -0.009 0.000 1.093 426 I CA 1.052 62.345 61.300 -0.011 0.000 1.355 426 I CB -0.222 37.759 38.000 -0.032 0.000 1.046 426 I HN 0.269 nan 8.210 nan 0.000 0.413 427 L N -0.007 121.206 121.223 -0.017 0.000 2.191 427 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 427 L C 2.611 179.513 176.870 0.052 0.000 1.103 427 L CA 1.665 56.515 54.840 0.017 0.000 0.769 427 L CB -0.502 41.581 42.059 0.039 0.000 0.908 427 L HN 0.402 nan 8.230 nan 0.000 0.438 428 S N -1.569 114.158 115.700 0.045 0.000 2.478 428 S HA -0.061 4.409 4.470 -0.000 0.000 0.222 428 S C 1.591 176.210 174.600 0.031 0.000 1.008 428 S CA 0.109 58.335 58.200 0.043 0.000 0.928 428 S CB -0.016 63.209 63.200 0.043 0.000 0.781 428 S HN 0.407 nan 8.310 nan 0.000 0.518 429 E N 1.103 121.319 120.200 0.026 0.000 2.274 429 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 429 E C 0.598 177.211 176.600 0.021 0.000 0.996 429 E CA 0.747 57.161 56.400 0.023 0.000 0.840 429 E CB -0.142 29.571 29.700 0.022 0.000 0.772 429 E HN 0.594 nan 8.360 nan 0.000 0.491 430 N N 0.138 118.851 118.700 0.021 0.000 2.214 430 N HA 0.084 4.824 4.740 -0.000 0.000 0.214 430 N C -0.906 174.619 175.510 0.025 0.000 1.132 430 N CA 0.020 53.081 53.050 0.019 0.000 0.856 430 N CB 0.545 39.039 38.487 0.012 0.000 1.020 430 N HN -0.064 nan 8.380 nan 0.000 0.509 431 K N 0.447 120.864 120.400 0.029 0.000 3.150 431 K HA -0.167 4.153 4.320 -0.000 0.000 0.267 431 K C -0.936 175.687 176.600 0.039 0.000 1.028 431 K CA 0.514 56.818 56.287 0.028 0.000 0.753 431 K CB -1.686 30.826 32.500 0.020 0.000 1.288 431 K HN 0.341 nan 8.250 nan 0.000 0.473 432 I N 1.683 122.291 120.570 0.063 0.000 2.347 432 I HA 0.275 4.445 4.170 -0.000 0.000 0.283 432 I C 0.860 177.050 176.117 0.122 0.000 1.058 432 I CA -0.609 60.755 61.300 0.107 0.000 1.202 432 I CB 0.546 38.626 38.000 0.134 0.000 1.386 432 I HN 0.122 nan 8.210 nan 0.000 0.475 436 H N -0.022 118.953 119.070 -0.159 0.000 1.452 436 H HA -0.218 4.338 4.556 -0.000 0.000 0.090 436 H C 0.532 175.804 175.328 -0.093 0.000 0.642 436 H CA 1.690 57.650 56.048 -0.146 0.000 1.901 436 H CB -0.786 28.909 29.762 -0.112 0.000 2.257 436 H HN 0.649 nan 8.280 nan 0.000 0.961 437 N N 1.891 120.831 118.700 0.399 0.000 2.416 437 N HA -0.040 4.700 4.740 -0.000 0.000 0.246 437 N C -0.561 175.005 175.510 0.094 0.000 1.260 437 N CA 1.220 54.393 53.050 0.204 0.000 0.897 437 N CB 0.214 38.785 38.487 0.140 0.000 1.110 437 N HN 0.601 nan 8.380 nan 0.000 0.439 438 E N -0.503 119.745 120.200 0.079 0.000 2.586 438 E HA -0.249 4.101 4.350 -0.000 0.000 0.259 438 E C -0.821 175.815 176.600 0.060 0.000 1.107 438 E CA 0.564 56.999 56.400 0.058 0.000 0.754 438 E CB -0.973 28.749 29.700 0.038 0.000 1.335 438 E HN 0.520 nan 8.360 nan 0.000 0.411 439 D N -0.094 120.353 120.400 0.078 0.000 2.670 439 D HA 0.103 4.742 4.640 -0.000 0.000 0.255 439 D C 0.889 177.277 176.300 0.147 0.000 1.286 439 D CA -0.092 53.958 54.000 0.083 0.000 0.830 439 D CB 0.286 41.106 40.800 0.034 0.000 1.065 439 D HN 0.286 nan 8.370 nan 0.000 0.486 440 E N 0.073 120.345 120.200 0.119 0.000 2.160 440 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 440 E C 1.474 178.142 176.600 0.112 0.000 0.991 440 E CA 0.599 57.073 56.400 0.124 0.000 0.810 440 E CB 0.244 29.994 29.700 0.084 0.000 0.742 440 E HN 0.337 nan 8.360 nan 0.000 0.466 441 E N 0.322 120.581 120.200 0.097 0.000 2.169 441 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 441 E C 1.776 178.435 176.600 0.098 0.000 1.016 441 E CA 1.271 57.717 56.400 0.076 0.000 0.817 441 E CB -0.280 29.462 29.700 0.071 0.000 0.736 441 E HN 0.469 nan 8.360 nan 0.000 0.462 442 Y N 1.546 121.856 120.300 0.016 0.000 2.114 442 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 442 Y C 2.342 178.258 175.900 0.027 0.000 1.143 442 Y CA 1.964 60.074 58.100 0.016 0.000 1.135 442 Y CB -0.224 38.245 38.460 0.014 0.000 0.980 442 Y HN 0.081 nan 8.280 nan 0.000 0.499 443 L N 0.806 121.976 121.223 -0.089 0.000 2.027 443 L HA 0.082 4.422 4.340 -0.000 0.000 0.206 443 L C 2.486 179.250 176.870 -0.176 0.000 1.074 443 L CA 1.872 56.587 54.840 -0.208 0.000 0.745 443 L CB -2.092 40.025 42.059 0.097 0.000 0.898 443 L HN 0.149 nan 8.230 nan 0.000 0.433 444 A N 0.298 123.075 122.820 -0.070 0.000 2.023 444 A HA -0.370 3.950 4.320 -0.000 0.000 0.223 444 A C 2.214 179.729 177.584 -0.114 0.000 1.180 444 A CA 2.498 54.498 52.037 -0.063 0.000 0.659 444 A CB -1.369 17.616 19.000 -0.025 0.000 0.817 444 A HN 0.678 nan 8.150 nan 0.000 0.466 445 N N -1.399 117.201 118.700 -0.167 0.000 2.409 445 N HA -0.005 4.735 4.740 -0.000 0.000 0.179 445 N C 1.387 176.734 175.510 -0.272 0.000 1.032 445 N CA 0.968 53.905 53.050 -0.188 0.000 0.898 445 N CB -0.105 38.282 38.487 -0.166 0.000 0.971 445 N HN 0.453 nan 8.380 nan 0.000 0.441 446 L N 0.464 121.461 121.223 -0.377 0.000 2.202 446 L HA 0.202 4.542 4.340 -0.000 0.000 0.205 446 L C 1.568 178.232 176.870 -0.343 0.000 1.083 446 L CA 1.398 55.985 54.840 -0.420 0.000 0.790 446 L CB -0.543 41.195 42.059 -0.535 0.000 0.942 446 L HN 0.062 nan 8.230 nan 0.000 0.452 447 E N -0.504 119.551 120.200 -0.241 0.000 2.086 447 E HA -0.303 4.046 4.350 -0.000 0.000 0.200 447 E C 2.021 178.517 176.600 -0.173 0.000 1.012 447 E CA 2.098 58.394 56.400 -0.174 0.000 0.812 447 E CB -0.428 29.229 29.700 -0.072 0.000 0.743 447 E HN 0.656 nan 8.360 nan 0.000 0.453 448 T N 0.189 114.654 114.554 -0.150 0.000 2.857 448 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 448 T C 1.832 176.442 174.700 -0.149 0.000 1.048 448 T CA 0.716 62.746 62.100 -0.116 0.000 1.139 448 T CB -0.036 68.780 68.868 -0.088 0.000 0.874 448 T HN -0.001 nan 8.240 nan 0.000 0.455 449 I N 1.191 121.638 120.570 -0.204 0.000 2.315 449 I HA -0.033 4.137 4.170 -0.000 0.000 0.248 449 I C 2.488 178.430 176.117 -0.291 0.000 1.117 449 I CA 0.882 62.051 61.300 -0.219 0.000 1.404 449 I CB -1.324 36.535 38.000 -0.235 0.000 1.071 449 I HN 0.359 nan 8.210 nan 0.000 0.419 450 L N 0.420 121.390 121.223 -0.421 0.000 1.970 450 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 450 L C 2.881 179.559 176.870 -0.322 0.000 1.071 450 L CA 1.604 56.069 54.840 -0.626 0.000 0.751 450 L CB -0.688 40.643 42.059 -1.213 0.000 0.889 450 L HN 0.165 nan 8.230 nan 0.000 0.432 451 R N 0.032 120.453 120.500 -0.132 0.000 2.115 451 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 451 R C 1.999 178.293 176.300 -0.011 0.000 1.133 451 R CA 2.052 58.175 56.100 0.039 0.000 0.935 451 R CB -0.794 29.528 30.300 0.036 0.000 0.853 451 R HN 0.382 nan 8.270 nan 0.000 0.433 452 D N 0.168 120.535 120.400 -0.055 0.000 2.133 452 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 452 D C 1.986 178.253 176.300 -0.055 0.000 0.997 452 D CA 1.042 55.017 54.000 -0.041 0.000 0.840 452 D CB -0.314 40.457 40.800 -0.049 0.000 0.947 452 D HN 0.027 nan 8.370 nan 0.000 0.452 453 V N 0.669 120.495 119.914 -0.148 0.000 2.343 453 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 453 V C 2.418 178.315 176.094 -0.330 0.000 1.051 453 V CA 1.639 63.777 62.300 -0.269 0.000 1.036 453 V CB -0.347 31.205 31.823 -0.451 0.000 0.654 453 V HN 0.195 nan 8.190 nan 0.000 0.451 454 K N 0.229 120.518 120.400 -0.186 0.000 2.031 454 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 454 K C 2.331 178.983 176.600 0.086 0.000 1.049 454 K CA 1.879 58.143 56.287 -0.039 0.000 0.939 454 K CB -0.369 32.198 32.500 0.110 0.000 0.717 454 K HN 0.641 nan 8.250 nan 0.000 0.438 455 T N -1.208 113.389 114.554 0.071 0.000 2.803 455 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 455 T C 1.919 176.680 174.700 0.103 0.000 1.052 455 T CA 1.266 63.415 62.100 0.081 0.000 1.136 455 T CB -0.335 68.570 68.868 0.061 0.000 0.864 455 T HN 0.265 nan 8.240 nan 0.000 0.467 456 A N 0.731 123.633 122.820 0.137 0.000 1.872 456 A HA 0.216 4.536 4.320 -0.000 0.000 0.214 456 A C 2.029 179.801 177.584 0.313 0.000 1.187 456 A CA 1.013 53.172 52.037 0.202 0.000 0.614 456 A CB -1.035 18.101 19.000 0.227 0.000 0.826 456 A HN 0.455 nan 8.150 nan 0.000 0.442 457 F N 0.781 120.769 119.950 0.063 0.000 2.161 457 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 457 F C 1.707 177.528 175.800 0.035 0.000 1.089 457 F CA 1.523 59.565 58.000 0.069 0.000 1.282 457 F CB -0.702 38.338 39.000 0.067 0.000 1.010 457 F HN 0.219 nan 8.300 nan 0.000 0.485 458 N N 0.031 118.854 118.700 0.204 0.000 2.398 458 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 458 N C 0.189 175.683 175.510 -0.026 0.000 1.122 458 N CA 0.019 53.120 53.050 0.084 0.000 0.866 458 N CB -0.306 38.236 38.487 0.092 0.000 0.970 458 N HN 0.293 nan 8.380 nan 0.000 0.462 459 E N 0.856 120.986 120.200 -0.117 0.000 2.480 459 E HA 0.159 4.509 4.350 -0.000 0.000 0.258 459 E C -0.242 176.028 176.600 -0.549 0.000 0.984 459 E CA -0.386 55.798 56.400 -0.361 0.000 0.930 459 E CB 0.458 29.819 29.700 -0.566 0.000 0.936 459 E HN 0.238 nan 8.360 nan 0.000 0.466 460 A N 3.516 126.126 122.820 -0.350 0.000 2.304 460 A HA 0.326 4.646 4.320 -0.000 0.000 0.271 460 A C 0.704 178.119 177.584 -0.282 0.000 1.091 460 A CA 0.233 52.132 52.037 -0.231 0.000 0.812 460 A CB 0.915 19.880 19.000 -0.059 0.000 1.056 460 A HN 0.811 nan 8.150 nan 0.000 0.489 461 S N -1.353 114.279 115.700 -0.114 0.000 2.612 461 S HA 0.402 4.872 4.470 -0.000 0.000 0.278 461 S C 0.212 174.798 174.600 -0.025 0.000 1.082 461 S CA 0.732 58.954 58.200 0.037 0.000 1.185 461 S CB -0.312 62.991 63.200 0.172 0.000 1.077 461 S HN 2.129 nan 8.310 nan 0.000 0.585 462 S N 0.523 116.161 115.700 -0.103 0.000 2.597 462 S HA 0.581 5.051 4.470 -0.000 0.000 0.274 462 S C -2.156 172.393 174.600 -0.085 0.000 1.132 462 S CA -0.715 57.424 58.200 -0.102 0.000 0.835 462 S CB 1.392 64.447 63.200 -0.241 0.000 1.092 462 S HN 0.689 nan 8.310 nan 0.000 0.457 463 I N 3.025 123.561 120.570 -0.056 0.000 2.433 463 I HA 0.631 4.801 4.170 -0.000 0.000 0.292 463 I C -0.941 175.154 176.117 -0.036 0.000 1.001 463 I CA 0.027 61.305 61.300 -0.037 0.000 1.119 463 I CB 1.585 39.565 38.000 -0.033 0.000 1.289 463 I HN 0.791 nan 8.210 nan 0.000 0.438 464 T N 7.775 122.307 114.554 -0.037 0.000 2.855 464 T HA 0.484 4.833 4.350 -0.000 0.000 0.281 464 T C -0.546 174.146 174.700 -0.012 0.000 1.007 464 T CA -0.446 61.630 62.100 -0.040 0.000 1.009 464 T CB 1.784 70.588 68.868 -0.107 0.000 0.983 464 T HN 0.448 nan 8.240 nan 0.000 0.455 465 L N 3.277 124.508 121.223 0.012 0.000 2.262 465 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 465 L C -0.782 176.107 176.870 0.032 0.000 1.035 465 L CA -0.664 54.195 54.840 0.031 0.000 0.820 465 L CB 0.398 42.480 42.059 0.037 0.000 1.204 465 L HN 0.690 nan 8.230 nan 0.000 0.424 466 Y N 4.980 125.196 120.300 -0.141 0.000 2.570 466 Y HA 0.424 4.974 4.550 -0.000 0.000 0.336 466 Y C 1.108 176.992 175.900 -0.026 0.000 1.284 466 Y CA -0.556 57.416 58.100 -0.213 0.000 1.761 466 Y CB -0.128 38.214 38.460 -0.196 0.000 1.724 466 Y HN 0.682 nan 8.280 nan 0.000 0.455 467 G N 3.083 111.888 108.800 0.009 0.000 2.647 467 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.234 467 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.234 467 G C 0.542 175.391 174.900 -0.086 0.000 1.252 467 G CA -0.117 44.964 45.100 -0.031 0.000 0.846 467 G HN 0.637 nan 8.290 nan 0.000 0.589 468 D N -0.025 120.339 120.400 -0.061 0.000 2.084 468 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 468 D C 2.148 178.445 176.300 -0.006 0.000 0.990 468 D CA 1.851 55.831 54.000 -0.035 0.000 0.826 468 D CB 0.153 40.954 40.800 0.001 0.000 0.971 468 D HN 0.818 nan 8.370 nan 0.000 0.453 469 E N -0.222 119.965 120.200 -0.021 0.000 2.601 469 E HA 0.056 4.406 4.350 -0.000 0.000 0.219 469 E C 0.346 176.856 176.600 -0.149 0.000 0.964 469 E CA -0.237 56.140 56.400 -0.039 0.000 1.050 469 E CB 0.527 30.230 29.700 0.006 0.000 1.068 469 E HN 0.046 nan 8.360 nan 0.000 0.496 470 I N 2.620 123.054 120.570 -0.226 0.000 2.752 470 I HA 0.088 4.258 4.170 -0.000 0.000 0.287 470 I C 0.716 176.831 176.117 -0.003 0.000 1.188 470 I CA -0.075 61.048 61.300 -0.295 0.000 1.427 470 I CB 0.289 38.237 38.000 -0.087 0.000 1.365 470 I HN 0.134 nan 8.210 nan 0.000 0.585 471 I N 6.371 127.018 120.570 0.128 0.000 2.307 471 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 471 I C -0.242 175.975 176.117 0.167 0.000 1.021 471 I CA -0.384 61.011 61.300 0.158 0.000 1.224 471 I CB 1.320 39.442 38.000 0.204 0.000 1.376 471 I HN 0.267 nan 8.210 nan 0.000 0.470 472 L N 8.397 129.676 121.223 0.094 0.000 2.305 472 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 472 L C -0.714 176.205 176.870 0.082 0.000 1.013 472 L CA -0.561 54.324 54.840 0.074 0.000 0.819 472 L CB 1.905 43.930 42.059 -0.055 0.000 1.227 472 L HN 0.220 nan 8.230 nan 0.000 0.417 473 V N 5.681 125.691 119.914 0.159 0.000 2.370 473 V HA 0.401 4.521 4.120 -0.000 0.000 0.283 473 V C 0.044 176.207 176.094 0.114 0.000 1.023 473 V CA -0.946 61.432 62.300 0.130 0.000 0.857 473 V CB 1.772 33.735 31.823 0.233 0.000 0.985 473 V HN 0.704 nan 8.190 nan 0.000 0.443 474 N N 3.468 122.187 118.700 0.032 0.000 2.455 474 N HA 0.418 5.158 4.740 -0.000 0.000 0.280 474 N C -0.429 175.015 175.510 -0.110 0.000 1.055 474 N CA -0.318 52.737 53.050 0.008 0.000 0.961 474 N CB 1.667 40.087 38.487 -0.111 0.000 1.121 474 N HN 0.551 nan 8.380 nan 0.000 0.476 475 C N 0.624 119.837 119.300 -0.145 0.000 2.354 475 C HA 0.410 4.870 4.460 -0.000 0.000 0.381 475 C C 2.231 177.243 174.990 0.037 0.000 1.240 475 C CA -0.760 58.203 59.018 -0.091 0.000 2.089 475 C CB 0.230 27.934 27.740 -0.060 0.000 2.234 475 C HN 0.735 nan 8.230 nan 0.000 0.544 476 F N -0.542 119.351 119.950 -0.095 0.000 2.084 476 F HA -0.092 4.435 4.527 -0.000 0.000 0.296 476 F C 1.819 177.587 175.800 -0.053 0.000 1.111 476 F CA 0.799 58.751 58.000 -0.080 0.000 1.224 476 F CB -0.129 38.845 39.000 -0.044 0.000 0.991 476 F HN 0.502 nan 8.300 nan 0.000 0.471 477 Q N 1.861 121.664 119.800 0.005 0.000 2.289 477 Q HA 0.104 4.444 4.340 -0.000 0.000 0.273 477 Q C -2.234 173.594 176.000 -0.287 0.000 1.029 477 Q CA -1.670 53.928 55.803 -0.342 0.000 0.896 477 Q CB 0.540 28.701 28.738 -0.962 0.000 1.182 477 Q HN -0.030 nan 8.270 nan 0.000 0.385 478 P HA -0.091 nan 4.420 nan 0.000 0.267 478 P C -0.764 176.093 177.300 -0.739 0.000 1.200 478 P CA 0.485 62.953 63.100 -1.052 0.000 0.772 478 P CB 0.140 31.012 31.700 -1.380 0.000 0.855 479 Y N -1.466 118.669 120.300 -0.274 0.000 4.929 479 Y HA -0.242 4.308 4.550 -0.000 0.000 0.252 479 Y C 0.369 176.224 175.900 -0.074 0.000 0.950 479 Y CA 0.051 58.030 58.100 -0.202 0.000 1.935 479 Y CB -2.144 36.157 38.460 -0.265 0.000 1.440 479 Y HN 0.425 nan 8.280 nan 0.000 0.567 480 N N 1.902 120.516 118.700 -0.144 0.000 2.476 480 N HA 0.302 5.042 4.740 -0.000 0.000 0.257 480 N C -0.707 174.590 175.510 -0.354 0.000 0.970 480 N CA -0.318 52.673 53.050 -0.099 0.000 0.938 480 N CB 0.901 39.398 38.487 0.017 0.000 1.144 480 N HN 0.295 nan 8.380 nan 0.000 0.500 481 H N -0.080 119.064 119.070 0.125 0.000 2.894 481 H HA 0.452 5.008 4.556 -0.000 0.000 0.368 481 H C -0.627 174.754 175.328 0.088 0.000 1.181 481 H CA -0.575 55.528 56.048 0.092 0.000 1.146 481 H CB 2.155 31.966 29.762 0.081 0.000 1.839 481 H HN 0.307 nan 8.280 nan 0.000 0.557 482 S N 2.006 117.822 115.700 0.193 0.000 2.647 482 S HA 0.204 4.674 4.470 -0.000 0.000 0.300 482 S C -0.829 173.813 174.600 0.069 0.000 1.129 482 S CA -0.667 57.572 58.200 0.065 0.000 1.029 482 S CB 1.482 64.688 63.200 0.009 0.000 1.007 482 S HN 0.354 nan 8.310 nan 0.000 0.484 483 L N 3.793 125.012 121.223 -0.007 0.000 2.295 483 L HA 0.587 4.927 4.340 -0.000 0.000 0.285 483 L C -1.660 175.151 176.870 -0.098 0.000 1.035 483 L CA -0.615 54.245 54.840 0.033 0.000 0.806 483 L CB -0.082 41.986 42.059 0.015 0.000 1.214 483 L HN 0.633 nan 8.230 nan 0.000 0.426 484 Y N 4.799 125.141 120.300 0.070 0.000 2.367 484 Y HA 0.412 4.962 4.550 -0.000 0.000 0.342 484 Y C 0.409 176.369 175.900 0.101 0.000 0.979 484 Y CA -0.111 58.021 58.100 0.054 0.000 1.161 484 Y CB 1.041 39.529 38.460 0.046 0.000 1.155 484 Y HN 0.552 nan 8.280 nan 0.000 0.503 485 K N 3.539 123.998 120.400 0.097 0.000 2.123 485 K HA 0.409 4.729 4.320 -0.000 0.000 0.259 485 K C -1.034 175.454 176.600 -0.188 0.000 0.960 485 K CA -0.966 55.347 56.287 0.043 0.000 0.872 485 K CB 1.066 33.564 32.500 -0.004 0.000 1.079 485 K HN 0.608 nan 8.250 nan 0.000 0.440 486 L N 3.719 124.638 121.223 -0.507 0.000 2.410 486 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 486 L C -0.454 176.284 176.870 -0.219 0.000 1.152 486 L CA 0.238 54.795 54.840 -0.471 0.000 0.855 486 L CB 0.358 42.014 42.059 -0.672 0.000 1.129 486 L HN 0.589 nan 8.230 nan 0.000 0.463 487 N N 1.792 120.400 118.700 -0.153 0.000 2.520 487 N HA 0.171 4.911 4.740 -0.000 0.000 0.273 487 N C -0.027 175.421 175.510 -0.102 0.000 1.155 487 N CA -0.071 52.929 53.050 -0.084 0.000 0.967 487 N CB 0.825 39.296 38.487 -0.027 0.000 1.092 487 N HN 0.710 nan 8.380 nan 0.000 0.457 488 T N -1.415 113.083 114.554 -0.093 0.000 2.726 488 T HA 0.080 4.430 4.350 -0.000 0.000 0.294 488 T C 1.431 176.009 174.700 -0.203 0.000 1.013 488 T CA -0.233 61.794 62.100 -0.122 0.000 0.996 488 T CB 0.380 69.191 68.868 -0.096 0.000 1.016 488 T HN 0.371 nan 8.240 nan 0.000 0.529 489 T N 0.778 115.149 114.554 -0.304 0.000 2.720 489 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 489 T C 2.015 176.187 174.700 -0.880 0.000 1.037 489 T CA 1.718 63.458 62.100 -0.601 0.000 1.144 489 T CB -0.570 67.899 68.868 -0.664 0.000 0.864 489 T HN 0.548 nan 8.240 nan 0.000 0.444 490 V N 1.240 120.818 119.914 -0.561 0.000 2.594 490 V HA -0.122 3.998 4.120 -0.000 0.000 0.253 490 V C 2.233 178.307 176.094 -0.034 0.000 1.069 490 V CA 1.464 63.595 62.300 -0.281 0.000 1.082 490 V CB -0.676 31.130 31.823 -0.029 0.000 0.680 490 V HN 0.561 nan 8.190 nan 0.000 0.469 491 E N 0.364 120.532 120.200 -0.054 0.000 2.158 491 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 491 E C 2.031 178.779 176.600 0.247 0.000 0.982 491 E CA 0.786 57.246 56.400 0.099 0.000 0.823 491 E CB -0.156 29.603 29.700 0.099 0.000 0.766 491 E HN 0.583 nan 8.360 nan 0.000 0.468 492 N N 0.437 119.182 118.700 0.074 0.000 2.142 492 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 492 N C 1.438 177.106 175.510 0.263 0.000 1.023 492 N CA 0.891 54.011 53.050 0.117 0.000 0.852 492 N CB -0.243 38.210 38.487 -0.056 0.000 0.998 492 N HN 0.275 nan 8.380 nan 0.000 0.424 493 W N 1.071 122.454 121.300 0.139 0.000 2.335 493 W HA -0.077 4.583 4.660 0.000 0.000 0.311 493 W C 2.231 178.918 176.519 0.280 0.000 1.213 493 W CA 0.143 57.651 57.345 0.273 0.000 1.274 493 W CB -1.519 28.148 29.460 0.346 0.000 1.148 493 W HN 0.019 nan 8.180 nan 0.000 0.498 494 F N -0.567 119.540 119.950 0.261 0.000 2.102 494 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 494 F C 2.301 178.057 175.800 -0.073 0.000 1.105 494 F CA 1.739 59.748 58.000 0.015 0.000 1.239 494 F CB -0.963 37.934 39.000 -0.171 0.000 0.991 494 F HN -0.242 nan 8.300 nan 0.000 0.474 495 Y N 0.752 121.185 120.300 0.222 0.000 2.293 495 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 495 Y C 1.083 176.979 175.900 -0.007 0.000 1.137 495 Y CA 1.157 59.304 58.100 0.078 0.000 1.202 495 Y CB -0.617 37.934 38.460 0.150 0.000 0.990 495 Y HN 0.075 nan 8.280 nan 0.000 0.537 499 S N 2.518 118.374 115.700 0.260 0.000 2.560 499 S HA 0.113 4.583 4.470 -0.000 0.000 0.284 499 S C 0.440 175.177 174.600 0.229 0.000 1.327 499 S CA -0.279 58.034 58.200 0.189 0.000 1.055 499 S CB 1.495 64.765 63.200 0.117 0.000 0.868 499 S HN 0.244 nan 8.310 nan 0.000 0.506 506 L N 1.780 122.971 121.223 -0.053 0.000 2.040 506 L HA -0.290 4.050 4.340 -0.000 0.000 0.228 506 L C 2.599 179.275 176.870 -0.324 0.000 1.092 506 L CA 2.653 57.373 54.840 -0.201 0.000 0.805 506 L CB -0.465 41.421 42.059 -0.288 0.000 0.905 506 L HN 0.299 nan 8.230 nan 0.000 0.443 507 F N 0.751 120.224 119.950 -0.795 0.000 2.082 507 F HA -0.380 4.147 4.527 -0.000 0.000 0.298 507 F C 2.347 177.935 175.800 -0.354 0.000 1.091 507 F CA 2.465 59.943 58.000 -0.871 0.000 1.230 507 F CB -0.346 38.136 39.000 -0.862 0.000 0.983 507 F HN 0.076 nan 8.300 nan 0.000 0.485 508 K N -1.237 119.007 120.400 -0.260 0.000 2.026 508 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 508 K C 2.032 178.520 176.600 -0.187 0.000 1.048 508 K CA 1.845 58.027 56.287 -0.175 0.000 0.929 508 K CB -0.909 31.689 32.500 0.163 0.000 0.713 508 K HN 0.456 nan 8.250 nan 0.000 0.439 509 Y N 2.011 122.070 120.300 -0.401 0.000 2.081 509 Y HA -0.261 4.289 4.550 -0.000 0.000 0.280 509 Y C 1.832 177.422 175.900 -0.516 0.000 1.163 509 Y CA 1.574 59.177 58.100 -0.828 0.000 1.135 509 Y CB -0.293 37.662 38.460 -0.842 0.000 0.970 509 Y HN -0.064 nan 8.280 nan 0.000 0.498 510 L N -0.070 120.984 121.223 -0.281 0.000 2.131 510 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 510 L C 2.709 179.361 176.870 -0.364 0.000 1.092 510 L CA 1.610 56.284 54.840 -0.277 0.000 0.759 510 L CB -0.517 41.460 42.059 -0.136 0.000 0.903 510 L HN 0.220 nan 8.230 nan 0.000 0.435 511 R N -0.014 120.198 120.500 -0.479 0.000 2.073 511 R HA -0.150 4.189 4.340 -0.000 0.000 0.229 511 R C 2.532 178.654 176.300 -0.297 0.000 1.120 511 R CA 1.863 57.692 56.100 -0.452 0.000 0.967 511 R CB -0.187 29.744 30.300 -0.615 0.000 0.862 511 R HN 0.454 nan 8.270 nan 0.000 0.436 512 T N -0.976 113.396 114.554 -0.303 0.000 2.821 512 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 512 T C 1.996 176.562 174.700 -0.222 0.000 1.046 512 T CA 1.007 62.972 62.100 -0.224 0.000 1.139 512 T CB -0.278 68.461 68.868 -0.214 0.000 0.871 512 T HN 0.171 nan 8.240 nan 0.000 0.454 513 L N 1.438 122.452 121.223 -0.349 0.000 2.017 513 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 513 L C 3.107 179.911 176.870 -0.111 0.000 1.073 513 L CA 1.852 56.536 54.840 -0.261 0.000 0.745 513 L CB -0.917 40.917 42.059 -0.375 0.000 0.894 513 L HN 0.431 nan 8.230 nan 0.000 0.432 514 N N 0.454 119.069 118.700 -0.141 0.000 2.364 514 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 514 N C 1.736 177.202 175.510 -0.074 0.000 1.022 514 N CA 1.152 54.143 53.050 -0.099 0.000 0.883 514 N CB 0.139 38.550 38.487 -0.128 0.000 0.965 514 N HN 0.352 nan 8.380 nan 0.000 0.438 515 G N 0.240 109.000 108.800 -0.067 0.000 2.433 515 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 515 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 515 G C 1.280 176.184 174.900 0.007 0.000 1.186 515 G CA 0.378 45.462 45.100 -0.028 0.000 0.779 515 G HN 0.365 nan 8.290 nan 0.000 0.543 516 F N 2.316 122.199 119.950 -0.111 0.000 2.128 516 F HA 0.195 4.722 4.527 -0.000 0.000 0.295 516 F C 2.804 178.533 175.800 -0.117 0.000 1.100 516 F CA 1.354 59.285 58.000 -0.115 0.000 1.260 516 F CB -0.349 38.569 39.000 -0.137 0.000 1.009 516 F HN 0.218 nan 8.300 nan 0.000 0.476 517 A N 0.115 122.881 122.820 -0.090 0.000 1.978 517 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 517 A C 2.328 179.791 177.584 -0.202 0.000 1.170 517 A CA 2.111 54.046 52.037 -0.170 0.000 0.636 517 A CB -1.499 17.477 19.000 -0.039 0.000 0.810 517 A HN 0.566 nan 8.150 nan 0.000 0.448 518 S N -0.747 114.864 115.700 -0.148 0.000 2.440 518 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 518 S C 1.472 175.989 174.600 -0.138 0.000 1.010 518 S CA 1.790 59.926 58.200 -0.108 0.000 0.972 518 S CB -1.078 62.082 63.200 -0.068 0.000 0.774 518 S HN 0.513 nan 8.310 nan 0.000 0.501 519 T N 1.702 116.114 114.554 -0.235 0.000 3.148 519 T HA 0.332 4.682 4.350 -0.000 0.000 0.253 519 T C -0.042 174.526 174.700 -0.220 0.000 1.134 519 T CA 0.026 61.992 62.100 -0.223 0.000 1.051 519 T CB -0.262 68.439 68.868 -0.278 0.000 0.959 519 T HN 0.161 nan 8.240 nan 0.000 0.525 520 L N 2.775 123.856 121.223 -0.238 0.000 2.289 520 L HA 0.400 4.740 4.340 -0.000 0.000 0.285 520 L C 0.808 177.619 176.870 -0.097 0.000 1.049 520 L CA -0.718 54.013 54.840 -0.181 0.000 0.804 520 L CB 1.147 43.077 42.059 -0.216 0.000 1.195 520 L HN 0.143 nan 8.230 nan 0.000 0.428 521 S N 1.769 117.428 115.700 -0.068 0.000 2.566 521 S HA 0.002 4.472 4.470 -0.000 0.000 0.280 521 S C 0.987 175.571 174.600 -0.027 0.000 1.343 521 S CA -0.087 58.090 58.200 -0.038 0.000 1.036 521 S CB 0.161 63.343 63.200 -0.031 0.000 0.866 521 S HN 0.651 nan 8.310 nan 0.000 0.526 522 N N 1.773 120.471 118.700 -0.005 0.000 2.223 522 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 522 N C 1.015 176.533 175.510 0.015 0.000 1.016 522 N CA 1.525 54.584 53.050 0.016 0.000 0.863 522 N CB -0.265 38.243 38.487 0.034 0.000 0.983 522 N HN 0.637 nan 8.380 nan 0.000 0.429 523 D N 0.239 120.641 120.400 0.003 0.000 2.106 523 D HA -0.124 4.516 4.640 -0.000 0.000 0.191 523 D C 2.007 178.296 176.300 -0.018 0.000 0.997 523 D CA 0.911 54.910 54.000 -0.002 0.000 0.834 523 D CB -0.630 40.164 40.800 -0.010 0.000 0.956 523 D HN 0.034 nan 8.370 nan 0.000 0.448 524 V N 1.055 120.948 119.914 -0.035 0.000 2.332 524 V HA -0.223 3.896 4.120 -0.000 0.000 0.248 524 V C 2.662 178.718 176.094 -0.063 0.000 1.055 524 V CA 1.155 63.419 62.300 -0.060 0.000 1.038 524 V CB -0.463 31.317 31.823 -0.072 0.000 0.651 524 V HN 0.181 nan 8.190 nan 0.000 0.450 525 L N -0.732 120.469 121.223 -0.036 0.000 2.046 525 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 525 L C 2.774 179.658 176.870 0.024 0.000 1.077 525 L CA 1.718 56.551 54.840 -0.012 0.000 0.747 525 L CB -0.542 41.526 42.059 0.015 0.000 0.896 525 L HN 0.220 nan 8.230 nan 0.000 0.432 526 R N -0.451 120.077 120.500 0.047 0.000 2.092 526 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 526 R C 2.499 178.811 176.300 0.020 0.000 1.119 526 R CA 1.573 57.723 56.100 0.083 0.000 0.970 526 R CB -0.380 29.968 30.300 0.080 0.000 0.864 526 R HN 0.392 nan 8.270 nan 0.000 0.440 527 S N 1.235 116.916 115.700 -0.030 0.000 2.356 527 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 527 S C 2.046 176.554 174.600 -0.152 0.000 1.032 527 S CA 1.050 59.205 58.200 -0.074 0.000 1.005 527 S CB -0.315 62.837 63.200 -0.080 0.000 0.867 527 S HN 0.206 nan 8.310 nan 0.000 0.449 528 I N 1.422 121.870 120.570 -0.202 0.000 2.252 528 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 528 I C 2.863 178.630 176.117 -0.583 0.000 1.102 528 I CA 1.196 62.243 61.300 -0.422 0.000 1.385 528 I CB -0.421 37.356 38.000 -0.373 0.000 1.064 528 I HN 0.339 nan 8.210 nan 0.000 0.414 529 S N 0.708 116.289 115.700 -0.200 0.000 2.382 529 S HA -0.263 4.207 4.470 -0.000 0.000 0.228 529 S C 2.064 176.664 174.600 -0.000 0.000 1.027 529 S CA 1.814 60.062 58.200 0.080 0.000 0.991 529 S CB -0.131 63.315 63.200 0.410 0.000 0.823 529 S HN 0.298 nan 8.310 nan 0.000 0.469 530 K N 1.054 121.412 120.400 -0.069 0.000 2.097 530 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 530 K C 2.383 178.911 176.600 -0.120 0.000 1.049 530 K CA 1.769 57.996 56.287 -0.099 0.000 0.933 530 K CB -0.492 31.967 32.500 -0.068 0.000 0.717 530 K HN 0.334 nan 8.250 nan 0.000 0.442 531 K N 0.213 120.482 120.400 -0.218 0.000 2.103 531 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 531 K C 1.880 178.414 176.600 -0.110 0.000 1.048 531 K CA 1.793 57.960 56.287 -0.199 0.000 0.930 531 K CB -1.153 31.165 32.500 -0.304 0.000 0.716 531 K HN 0.205 nan 8.250 nan 0.000 0.444 532 F N 0.985 120.854 119.950 -0.135 0.000 2.216 532 F HA 0.029 4.555 4.527 -0.000 0.000 0.300 532 F C 2.121 177.863 175.800 -0.097 0.000 1.085 532 F CA 0.437 58.319 58.000 -0.197 0.000 1.326 532 F CB -0.704 37.969 39.000 -0.545 0.000 1.027 532 F HN 0.023 nan 8.300 nan 0.000 0.497 533 L N -0.443 120.847 121.223 0.113 0.000 2.046 533 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 533 L C 2.157 179.104 176.870 0.129 0.000 1.077 533 L CA 1.332 56.261 54.840 0.148 0.000 0.747 533 L CB -0.684 41.370 42.059 -0.009 0.000 0.896 533 L HN 0.032 nan 8.230 nan 0.000 0.432 534 D N 0.301 120.742 120.400 0.068 0.000 2.149 534 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 534 D C 2.224 178.563 176.300 0.066 0.000 0.990 534 D CA 1.262 55.296 54.000 0.057 0.000 0.839 534 D CB -0.099 40.718 40.800 0.029 0.000 0.948 534 D HN 0.353 nan 8.370 nan 0.000 0.460 535 I N 0.720 121.343 120.570 0.088 0.000 2.226 535 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 535 I C 2.312 178.452 176.117 0.037 0.000 1.100 535 I CA 0.632 61.980 61.300 0.079 0.000 1.374 535 I CB -0.108 37.966 38.000 0.123 0.000 1.057 535 I HN -0.001 nan 8.210 nan 0.000 0.413 536 I N 1.007 121.596 120.570 0.031 0.000 2.252 536 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 536 I C 2.881 178.959 176.117 -0.065 0.000 1.102 536 I CA 2.178 63.437 61.300 -0.069 0.000 1.385 536 I CB -1.403 36.483 38.000 -0.190 0.000 1.064 536 I HN 0.402 nan 8.210 nan 0.000 0.414 537 T N -1.234 113.332 114.554 0.020 0.000 2.881 537 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 537 T C 1.674 176.388 174.700 0.024 0.000 1.068 537 T CA 1.240 63.368 62.100 0.048 0.000 1.131 537 T CB -0.463 68.457 68.868 0.088 0.000 0.871 537 T HN 0.535 nan 8.240 nan 0.000 0.479 538 G N 0.801 109.613 108.800 0.020 0.000 2.157 538 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 538 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 538 G C 0.510 175.423 174.900 0.023 0.000 0.979 538 G CA 0.651 45.760 45.100 0.015 0.000 0.650 538 G HN 0.574 nan 8.290 nan 0.000 0.529 539 E N -0.238 119.980 120.200 0.031 0.000 2.118 539 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 539 E C 1.514 178.130 176.600 0.026 0.000 0.992 539 E CA 0.639 57.056 56.400 0.028 0.000 0.804 539 E CB -0.094 29.623 29.700 0.029 0.000 0.741 539 E HN 0.566 nan 8.360 nan 0.000 0.458 540 L N 2.644 123.886 121.223 0.033 0.000 2.385 540 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 540 L C -2.052 174.834 176.870 0.028 0.000 1.106 540 L CA -1.880 52.981 54.840 0.036 0.000 0.856 540 L CB 0.433 42.524 42.059 0.055 0.000 1.186 540 L HN 0.005 nan 8.230 nan 0.000 0.453 541 P HA -0.145 nan 4.420 nan 0.000 0.261 541 P C 0.285 177.592 177.300 0.011 0.000 1.158 541 P CA 0.361 63.470 63.100 0.015 0.000 0.758 541 P CB 0.589 32.297 31.700 0.014 0.000 0.763 542 D N 1.819 122.222 120.400 0.005 0.000 2.178 542 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 542 D C 0.964 177.260 176.300 -0.007 0.000 0.974 542 D CA 0.876 54.874 54.000 -0.002 0.000 0.841 542 D CB -0.105 40.691 40.800 -0.006 0.000 0.953 542 D HN 0.394 nan 8.370 nan 0.000 0.478 546 T N 1.311 115.783 114.554 -0.137 0.000 2.720 546 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 546 T C 2.144 176.667 174.700 -0.295 0.000 1.037 546 T CA 1.710 63.643 62.100 -0.279 0.000 1.144 546 T CB -0.140 68.509 68.868 -0.365 0.000 0.864 546 T HN 0.433 nan 8.240 nan 0.000 0.444 547 V N 1.615 121.432 119.914 -0.162 0.000 2.287 547 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 547 V C 2.500 178.616 176.094 0.037 0.000 1.053 547 V CA 1.825 64.097 62.300 -0.046 0.000 1.027 547 V CB -0.641 31.175 31.823 -0.012 0.000 0.646 547 V HN 0.586 nan 8.190 nan 0.000 0.447 548 E N 0.078 120.289 120.200 0.018 0.000 2.049 548 E HA -0.289 4.061 4.350 -0.000 0.000 0.198 548 E C 2.285 178.946 176.600 0.101 0.000 1.007 548 E CA 1.570 57.998 56.400 0.048 0.000 0.809 548 E CB -0.262 29.453 29.700 0.025 0.000 0.749 548 E HN 0.597 nan 8.360 nan 0.000 0.450 549 K N 0.236 120.701 120.400 0.109 0.000 2.063 549 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 549 K C 2.016 178.837 176.600 0.367 0.000 1.048 549 K CA 1.317 57.721 56.287 0.195 0.000 0.928 549 K CB -0.227 32.384 32.500 0.185 0.000 0.713 549 K HN 0.139 nan 8.250 nan 0.000 0.442 550 F N 0.995 120.997 119.950 0.087 0.000 2.163 550 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 550 F C 2.848 178.727 175.800 0.131 0.000 1.094 550 F CA 1.051 59.127 58.000 0.127 0.000 1.290 550 F CB -0.356 38.727 39.000 0.138 0.000 1.017 550 F HN 0.201 nan 8.300 nan 0.000 0.483 551 T N -2.658 112.058 114.554 0.270 0.000 2.915 551 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 551 T C 1.452 176.259 174.700 0.178 0.000 1.071 551 T CA 1.536 63.727 62.100 0.153 0.000 1.132 551 T CB -0.472 68.432 68.868 0.059 0.000 0.878 551 T HN 0.194 nan 8.240 nan 0.000 0.479 552 D N 1.617 122.114 120.400 0.162 0.000 2.077 552 D HA -0.033 4.606 4.640 -0.000 0.000 0.196 552 D C 2.001 178.368 176.300 0.112 0.000 0.986 552 D CA 1.019 55.092 54.000 0.122 0.000 0.829 552 D CB -0.546 40.313 40.800 0.099 0.000 0.983 552 D HN 0.496 nan 8.370 nan 0.000 0.453 553 I N -0.111 120.520 120.570 0.102 0.000 2.248 553 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 553 I C 2.229 178.360 176.117 0.023 0.000 1.107 553 I CA 0.823 62.126 61.300 0.005 0.000 1.373 553 I CB -0.382 37.568 38.000 -0.084 0.000 1.055 553 I HN 0.059 nan 8.210 nan 0.000 0.418 554 F N 2.164 122.095 119.950 -0.032 0.000 2.031 554 F HA -0.324 4.203 4.527 -0.000 0.000 0.295 554 F C 2.787 178.583 175.800 -0.006 0.000 1.133 554 F CA 2.789 60.777 58.000 -0.020 0.000 1.188 554 F CB -0.579 38.423 39.000 0.005 0.000 0.974 554 F HN -0.092 nan 8.300 nan 0.000 0.473 555 K N 0.133 120.766 120.400 0.388 0.000 2.152 555 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 555 K C 1.653 178.277 176.600 0.040 0.000 1.048 555 K CA 2.019 58.452 56.287 0.243 0.000 0.933 555 K CB -1.327 31.295 32.500 0.202 0.000 0.721 555 K HN 0.491 nan 8.250 nan 0.000 0.447 556 N N -0.999 117.706 118.700 0.008 0.000 2.368 556 N HA 0.032 4.772 4.740 -0.000 0.000 0.176 556 N C 1.604 177.068 175.510 -0.078 0.000 1.021 556 N CA 1.317 54.349 53.050 -0.031 0.000 0.888 556 N CB 0.007 38.480 38.487 -0.022 0.000 0.995 556 N HN 0.578 nan 8.380 nan 0.000 0.437 557 C N -1.043 118.182 119.300 -0.125 0.000 2.628 557 C HA 0.371 4.831 4.460 -0.000 0.000 0.393 557 C C 2.033 176.916 174.990 -0.179 0.000 1.328 557 C CA -0.251 58.680 59.018 -0.145 0.000 2.079 557 C CB -0.285 27.355 27.740 -0.166 0.000 2.663 557 C HN 0.290 nan 8.230 nan 0.000 0.557 558 L N 1.461 122.508 121.223 -0.292 0.000 2.638 558 L HA 0.120 4.459 4.340 -0.000 0.000 0.232 558 L C 2.292 178.928 176.870 -0.389 0.000 1.099 558 L CA 0.453 55.102 54.840 -0.318 0.000 0.883 558 L CB -0.607 41.204 42.059 -0.414 0.000 1.136 558 L HN 0.327 nan 8.230 nan 0.000 0.492 559 E N 1.246 121.160 120.200 -0.477 0.000 2.118 559 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 559 E C 0.878 177.360 176.600 -0.197 0.000 0.992 559 E CA 0.967 57.173 56.400 -0.324 0.000 0.804 559 E CB -0.776 28.859 29.700 -0.109 0.000 0.741 559 E HN 0.589 nan 8.360 nan 0.000 0.458 560 N N 1.944 120.547 118.700 -0.161 0.000 2.340 560 N HA -0.108 4.632 4.740 -0.000 0.000 0.236 560 N C -0.348 175.058 175.510 -0.172 0.000 1.296 560 N CA -0.145 52.828 53.050 -0.128 0.000 0.896 560 N CB 0.329 38.762 38.487 -0.091 0.000 1.127 560 N HN 0.261 nan 8.380 nan 0.000 0.442 561 Q N -0.228 119.471 119.800 -0.168 0.000 2.315 561 Q HA 0.292 4.632 4.340 -0.000 0.000 0.289 561 Q C -0.934 174.989 176.000 -0.129 0.000 1.044 561 Q CA 0.253 55.917 55.803 -0.232 0.000 0.920 561 Q CB -0.290 28.358 28.738 -0.150 0.000 1.214 561 Q HN 0.580 nan 8.270 nan 0.000 0.392 562 F N -1.623 118.296 119.950 -0.052 0.000 2.581 562 F HA 0.529 5.056 4.527 -0.000 0.000 0.311 562 F C -0.720 175.075 175.800 -0.008 0.000 1.113 562 F CA -1.440 56.520 58.000 -0.066 0.000 0.935 562 F CB 1.565 40.520 39.000 -0.075 0.000 1.232 562 F HN 0.481 nan 8.300 nan 0.000 0.445 563 E N 3.899 124.284 120.200 0.308 0.000 2.465 563 E HA 0.006 4.356 4.350 -0.000 0.000 0.260 563 E C 0.805 177.631 176.600 0.376 0.000 0.980 563 E CA -0.232 56.289 56.400 0.202 0.000 0.927 563 E CB 1.152 30.931 29.700 0.132 0.000 0.934 563 E HN 0.576 nan 8.360 nan 0.000 0.459 564 I N 2.367 123.036 120.570 0.165 0.000 2.286 564 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 564 I C 2.563 178.840 176.117 0.267 0.000 1.115 564 I CA 1.393 62.845 61.300 0.253 0.000 1.392 564 I CB -1.832 36.221 38.000 0.089 0.000 1.065 564 I HN 0.605 nan 8.210 nan 0.000 0.418 565 T N 1.407 116.069 114.554 0.179 0.000 2.737 565 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 565 T C 1.785 176.591 174.700 0.176 0.000 1.040 565 T CA 2.002 64.191 62.100 0.147 0.000 1.142 565 T CB -0.180 68.748 68.868 0.100 0.000 0.861 565 T HN 0.253 nan 8.240 nan 0.000 0.456 566 N N 0.948 119.782 118.700 0.224 0.000 2.106 566 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 566 N C 1.962 177.646 175.510 0.290 0.000 1.029 566 N CA 1.258 54.451 53.050 0.238 0.000 0.848 566 N CB -0.716 37.906 38.487 0.226 0.000 1.007 566 N HN 0.492 nan 8.380 nan 0.000 0.423 567 L N 1.430 122.855 121.223 0.337 0.000 2.042 567 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 567 L C 2.328 179.303 176.870 0.175 0.000 1.076 567 L CA 1.716 56.645 54.840 0.149 0.000 0.749 567 L CB -0.229 41.941 42.059 0.186 0.000 0.893 567 L HN 0.084 nan 8.230 nan 0.000 0.432 568 K N 0.209 120.737 120.400 0.214 0.000 1.991 568 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 568 K C 2.026 178.726 176.600 0.168 0.000 1.049 568 K CA 2.186 58.599 56.287 0.211 0.000 0.932 568 K CB -0.244 32.359 32.500 0.172 0.000 0.717 568 K HN 0.302 nan 8.250 nan 0.000 0.441 569 I N 1.679 122.324 120.570 0.124 0.000 2.143 569 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 569 I C 2.390 178.538 176.117 0.051 0.000 1.068 569 I CA 1.338 62.684 61.300 0.077 0.000 1.326 569 I CB -1.185 36.862 38.000 0.079 0.000 1.028 569 I HN 0.439 nan 8.210 nan 0.000 0.412 570 L N 0.453 121.715 121.223 0.064 0.000 1.989 570 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 570 L C 2.609 179.470 176.870 -0.015 0.000 1.071 570 L CA 2.155 56.989 54.840 -0.011 0.000 0.749 570 L CB -1.064 40.892 42.059 -0.171 0.000 0.890 570 L HN 0.191 nan 8.230 nan 0.000 0.431 571 F N 0.952 120.848 119.950 -0.091 0.000 2.113 571 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 571 F C 2.200 177.898 175.800 -0.171 0.000 1.103 571 F CA 1.785 59.636 58.000 -0.249 0.000 1.248 571 F CB -0.168 38.749 39.000 -0.138 0.000 0.999 571 F HN 0.157 nan 8.300 nan 0.000 0.475 572 D N 0.616 120.855 120.400 -0.268 0.000 2.149 572 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 572 D C 2.114 178.252 176.300 -0.271 0.000 0.990 572 D CA 1.642 55.443 54.000 -0.332 0.000 0.839 572 D CB -0.306 40.430 40.800 -0.107 0.000 0.948 572 D HN 0.527 nan 8.370 nan 0.000 0.460 573 E N -0.390 119.720 120.200 -0.149 0.000 2.072 573 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 573 E C 2.018 178.657 176.600 0.065 0.000 0.985 573 E CA 0.250 56.626 56.400 -0.040 0.000 0.801 573 E CB 0.004 29.715 29.700 0.017 0.000 0.750 573 E HN 0.135 nan 8.360 nan 0.000 0.452 574 L N 1.516 122.696 121.223 -0.071 0.000 2.265 574 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 574 L C 1.371 178.233 176.870 -0.014 0.000 1.117 574 L CA 1.173 56.004 54.840 -0.015 0.000 0.782 574 L CB -0.358 41.549 42.059 -0.253 0.000 0.914 574 L HN 0.056 nan 8.230 nan 0.000 0.441 575 N N -1.586 116.967 118.700 -0.244 0.000 2.571 575 N HA -0.050 4.690 4.740 -0.000 0.000 0.189 575 N C 1.326 176.739 175.510 -0.162 0.000 1.154 575 N CA 0.630 53.530 53.050 -0.251 0.000 0.907 575 N CB -0.046 38.194 38.487 -0.412 0.000 0.977 575 N HN 0.202 nan 8.380 nan 0.000 0.449 576 S N -0.535 115.062 115.700 -0.172 0.000 2.577 576 S HA 0.266 4.736 4.470 -0.000 0.000 0.219 576 S C -0.231 174.033 174.600 -0.561 0.000 0.962 576 S CA -0.202 57.765 58.200 -0.388 0.000 0.921 576 S CB 0.048 62.915 63.200 -0.554 0.000 0.789 576 S HN 0.098 nan 8.310 nan 0.000 0.497 577 F N 1.318 121.225 119.950 -0.071 0.000 2.551 577 F HA 0.392 4.919 4.527 -0.000 0.000 0.316 577 F C 0.040 175.811 175.800 -0.048 0.000 1.089 577 F CA -1.736 56.236 58.000 -0.047 0.000 0.915 577 F CB 0.832 39.830 39.000 -0.003 0.000 1.186 577 F HN -0.155 nan 8.300 nan 0.000 0.456 578 D N 3.184 123.660 120.400 0.127 0.000 2.470 578 D HA 0.180 4.820 4.640 -0.000 0.000 0.226 578 D C 1.228 177.565 176.300 0.062 0.000 1.196 578 D CA 0.376 54.417 54.000 0.069 0.000 0.979 578 D CB 0.187 41.009 40.800 0.037 0.000 1.059 578 D HN 0.551 nan 8.370 nan 0.000 0.515 579 I N 3.952 124.565 120.570 0.072 0.000 2.208 579 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 579 I C -0.476 175.634 176.117 -0.012 0.000 1.097 579 I CA 0.751 62.035 61.300 -0.027 0.000 1.363 579 I CB -0.881 37.129 38.000 0.016 0.000 1.051 579 I HN 0.358 nan 8.210 nan 0.000 0.413 580 P HA -0.131 nan 4.420 nan 0.000 0.216 580 P C 1.912 179.270 177.300 0.097 0.000 1.150 580 P CA 1.444 64.681 63.100 0.228 0.000 0.837 580 P CB -0.002 31.814 31.700 0.193 0.000 0.786 581 V N 0.794 120.731 119.914 0.038 0.000 2.407 581 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 581 V C 2.880 178.941 176.094 -0.055 0.000 1.041 581 V CA 1.848 64.155 62.300 0.012 0.000 1.040 581 V CB -1.041 30.794 31.823 0.020 0.000 0.671 581 V HN 0.020 nan 8.190 nan 0.000 0.455 582 V N -1.699 118.132 119.914 -0.138 0.000 2.626 582 V HA -0.141 3.979 4.120 -0.000 0.000 0.252 582 V C 2.081 177.973 176.094 -0.337 0.000 1.067 582 V CA 1.585 63.737 62.300 -0.247 0.000 1.081 582 V CB -0.569 31.014 31.823 -0.400 0.000 0.686 582 V HN 0.426 nan 8.190 nan 0.000 0.468 583 L N 0.596 121.598 121.223 -0.369 0.000 1.988 583 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 583 L C 2.636 179.365 176.870 -0.236 0.000 1.071 583 L CA 2.539 57.147 54.840 -0.386 0.000 0.744 583 L CB -0.896 40.836 42.059 -0.544 0.000 0.893 583 L HN 0.363 nan 8.230 nan 0.000 0.433 584 N N -0.182 118.446 118.700 -0.119 0.000 2.184 584 N HA -0.265 4.475 4.740 -0.000 0.000 0.190 584 N C 1.425 176.954 175.510 0.032 0.000 1.011 584 N CA 1.644 54.728 53.050 0.058 0.000 0.867 584 N CB -0.074 38.488 38.487 0.125 0.000 0.993 584 N HN 0.280 nan 8.380 nan 0.000 0.433 585 D N 0.033 120.432 120.400 -0.003 0.000 2.149 585 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 585 D C 1.819 178.146 176.300 0.044 0.000 0.972 585 D CA 0.451 54.471 54.000 0.033 0.000 0.835 585 D CB -0.063 40.760 40.800 0.039 0.000 0.966 585 D HN 0.202 nan 8.370 nan 0.000 0.476 586 L N 0.243 121.460 121.223 -0.010 0.000 2.072 586 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 586 L C 2.032 178.901 176.870 -0.002 0.000 1.079 586 L CA 0.857 55.703 54.840 0.010 0.000 0.752 586 L CB -0.072 41.953 42.059 -0.057 0.000 0.906 586 L HN 0.099 nan 8.230 nan 0.000 0.436 587 I N -0.498 120.063 120.570 -0.015 0.000 2.429 587 I HA -0.151 4.018 4.170 -0.000 0.000 0.247 587 I C 1.578 177.720 176.117 0.042 0.000 1.099 587 I CA 0.954 62.259 61.300 0.009 0.000 1.422 587 I CB -1.030 36.999 38.000 0.048 0.000 1.112 587 I HN 0.390 nan 8.210 nan 0.000 0.430 588 N N 1.049 119.788 118.700 0.065 0.000 2.353 588 N HA 0.008 4.748 4.740 -0.000 0.000 0.185 588 N C 0.893 176.442 175.510 0.065 0.000 1.098 588 N CA 0.363 53.455 53.050 0.069 0.000 0.872 588 N CB 0.292 38.826 38.487 0.078 0.000 0.970 588 N HN 0.414 nan 8.380 nan 0.000 0.467 589 N N 0.571 119.309 118.700 0.064 0.000 2.820 589 N HA 0.023 4.763 4.740 -0.000 0.000 0.236 589 N C 0.703 176.254 175.510 0.067 0.000 1.023 589 N CA 0.302 53.391 53.050 0.066 0.000 1.062 589 N CB -0.234 38.294 38.487 0.069 0.000 1.582 589 N HN 0.009 nan 8.380 nan 0.000 0.485 601 F N 1.161 121.135 119.950 0.039 0.000 2.577 601 F HA 0.597 5.124 4.527 -0.000 0.000 0.318 601 F C -0.015 175.773 175.800 -0.021 0.000 1.065 601 F CA -1.388 56.616 58.000 0.007 0.000 0.929 601 F CB 1.864 40.880 39.000 0.026 0.000 1.237 601 F HN -0.055 nan 8.300 nan 0.000 0.468 602 I N 0.156 120.812 120.570 0.143 0.000 2.499 602 I HA 0.508 4.678 4.170 -0.000 0.000 0.288 602 I C -0.784 175.263 176.117 -0.116 0.000 1.048 602 I CA 0.023 61.332 61.300 0.015 0.000 1.062 602 I CB 2.212 40.205 38.000 -0.012 0.000 1.238 602 I HN 0.528 nan 8.210 nan 0.000 0.426 603 S N 4.817 120.459 115.700 -0.097 0.000 2.891 603 S HA 0.313 4.783 4.470 -0.000 0.000 0.247 603 S C 1.309 175.967 174.600 0.097 0.000 1.063 603 S CA 0.624 58.825 58.200 0.002 0.000 0.857 603 S CB 0.544 63.700 63.200 -0.074 0.000 0.800 603 S HN 0.813 nan 8.310 nan 0.000 0.540 604 A N 1.110 123.970 122.820 0.066 0.000 2.348 604 A HA 0.607 4.927 4.320 -0.000 0.000 0.224 604 A C 0.951 178.522 177.584 -0.021 0.000 1.227 604 A CA -0.078 51.939 52.037 -0.033 0.000 0.885 604 A CB -0.458 18.500 19.000 -0.070 0.000 0.933 604 A HN 0.463 nan 8.150 nan 0.000 0.506 605 I N -2.316 118.181 120.570 -0.121 0.000 4.908 605 I HA -0.421 3.749 4.170 -0.000 0.000 0.038 605 I C 0.823 177.110 176.117 0.285 0.000 0.635 605 I CA 1.635 62.785 61.300 -0.250 0.000 0.202 605 I CB -1.044 36.777 38.000 -0.300 0.000 0.318 605 I HN 0.478 nan 8.210 nan 0.000 0.150 606 K N 1.156 121.609 120.400 0.088 0.000 2.380 606 K HA 0.254 4.574 4.320 -0.000 0.000 0.267 606 K C -0.613 175.868 176.600 -0.199 0.000 0.990 606 K CA 0.439 56.735 56.287 0.015 0.000 0.946 606 K CB -0.213 32.260 32.500 -0.045 0.000 0.937 606 K HN 0.455 nan 8.250 nan 0.000 0.491 607 F N 2.106 121.608 119.950 -0.747 0.000 2.538 607 F HA 0.404 4.931 4.527 -0.000 0.000 0.371 607 F C 0.022 175.673 175.800 -0.247 0.000 1.087 607 F CA 0.122 57.651 58.000 -0.784 0.000 1.250 607 F CB 0.817 39.331 39.000 -0.810 0.000 1.110 607 F HN 0.675 nan 8.300 nan 0.000 0.570 608 D N 3.858 123.586 120.400 -1.120 0.000 2.484 608 D HA 0.440 5.080 4.640 -0.000 0.000 0.206 608 D C 0.045 175.963 176.300 -0.637 0.000 1.322 608 D CA 0.558 54.077 54.000 -0.801 0.000 0.913 608 D CB 0.881 41.497 40.800 -0.308 0.000 1.559 608 D HN 0.874 nan 8.370 nan 0.000 0.565 609 G N 2.989 111.437 108.800 -0.586 0.000 2.163 609 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.207 609 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.207 609 G C 0.630 175.462 174.900 -0.114 0.000 2.263 609 G CA 0.142 44.924 45.100 -0.530 0.000 1.616 609 G HN 0.564 nan 8.290 nan 0.000 0.521 610 F N 1.740 121.589 119.950 -0.168 0.000 2.317 610 F HA 0.349 4.876 4.527 -0.000 0.000 0.290 610 F C 2.608 178.356 175.800 -0.087 0.000 1.075 610 F CA 2.350 60.287 58.000 -0.104 0.000 1.380 610 F CB -0.216 38.739 39.000 -0.076 0.000 1.093 610 F HN 0.280 nan 8.300 nan 0.000 0.524 611 T N -0.722 113.730 114.554 -0.170 0.000 2.788 611 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 611 T C 2.302 176.936 174.700 -0.110 0.000 1.044 611 T CA 1.765 63.746 62.100 -0.199 0.000 1.139 611 T CB -0.584 68.139 68.868 -0.241 0.000 0.867 611 T HN 0.370 nan 8.240 nan 0.000 0.454 612 S N 0.080 115.715 115.700 -0.108 0.000 2.368 612 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 612 S C 2.000 176.639 174.600 0.065 0.000 1.030 612 S CA 1.054 59.275 58.200 0.035 0.000 0.999 612 S CB -0.395 62.864 63.200 0.097 0.000 0.844 612 S HN 0.545 nan 8.310 nan 0.000 0.459 613 I N 0.785 121.296 120.570 -0.098 0.000 2.252 613 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 613 I C 2.010 178.068 176.117 -0.099 0.000 1.102 613 I CA 0.723 61.951 61.300 -0.119 0.000 1.385 613 I CB -0.290 37.515 38.000 -0.325 0.000 1.064 613 I HN 0.309 nan 8.210 nan 0.000 0.414 614 I N 0.725 121.148 120.570 -0.246 0.000 2.286 614 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 614 I C 2.683 178.738 176.117 -0.104 0.000 1.115 614 I CA 1.403 62.559 61.300 -0.239 0.000 1.392 614 I CB -0.921 36.856 38.000 -0.372 0.000 1.065 614 I HN 0.137 nan 8.210 nan 0.000 0.418 615 S N 0.263 115.982 115.700 0.033 0.000 2.356 615 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 615 S C 2.101 176.733 174.600 0.054 0.000 1.032 615 S CA 0.934 59.199 58.200 0.108 0.000 1.005 615 S CB -0.530 62.876 63.200 0.342 0.000 0.867 615 S HN 0.392 nan 8.310 nan 0.000 0.449 616 L N 1.523 122.805 121.223 0.099 0.000 2.056 616 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 616 L C 2.592 179.513 176.870 0.085 0.000 1.078 616 L CA 1.491 56.398 54.840 0.111 0.000 0.749 616 L CB -0.438 41.745 42.059 0.207 0.000 0.901 616 L HN 0.297 nan 8.230 nan 0.000 0.433 617 E N -0.338 119.909 120.200 0.079 0.000 2.072 617 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 617 E C 2.234 178.817 176.600 -0.028 0.000 0.985 617 E CA 1.259 57.684 56.400 0.042 0.000 0.801 617 E CB -0.146 29.572 29.700 0.030 0.000 0.750 617 E HN 0.410 nan 8.360 nan 0.000 0.452 618 S N 1.473 117.133 115.700 -0.067 0.000 2.368 618 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 618 S C 2.003 176.520 174.600 -0.140 0.000 1.030 618 S CA 0.509 58.643 58.200 -0.109 0.000 0.999 618 S CB -0.218 62.899 63.200 -0.139 0.000 0.844 618 S HN 0.210 nan 8.310 nan 0.000 0.459 619 L N 0.832 121.977 121.223 -0.130 0.000 2.046 619 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 619 L C 2.492 179.230 176.870 -0.220 0.000 1.077 619 L CA 1.982 56.713 54.840 -0.183 0.000 0.747 619 L CB -0.435 41.533 42.059 -0.152 0.000 0.896 619 L HN 0.416 nan 8.230 nan 0.000 0.432 620 H N -0.227 118.651 119.070 -0.320 0.000 2.353 620 H HA -0.265 4.291 4.556 -0.000 0.000 0.300 620 H C 2.297 177.393 175.328 -0.386 0.000 1.090 620 H CA 2.304 58.070 56.048 -0.470 0.000 1.327 620 H CB -0.022 29.258 29.762 -0.804 0.000 1.383 620 H HN 0.406 nan 8.280 nan 0.000 0.508 621 Q N -0.026 119.568 119.800 -0.343 0.000 2.084 621 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 621 Q C 2.339 178.099 176.000 -0.400 0.000 0.978 621 Q CA 1.625 57.205 55.803 -0.373 0.000 0.844 621 Q CB -0.194 28.437 28.738 -0.179 0.000 0.898 621 Q HN 0.602 nan 8.270 nan 0.000 0.426 622 L N 0.320 121.337 121.223 -0.344 0.000 2.017 622 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 622 L C 2.393 178.974 176.870 -0.482 0.000 1.073 622 L CA 1.027 55.642 54.840 -0.374 0.000 0.745 622 L CB -0.275 41.553 42.059 -0.385 0.000 0.894 622 L HN 0.437 nan 8.230 nan 0.000 0.432 623 L N -1.013 119.922 121.223 -0.480 0.000 2.046 623 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 623 L C 2.647 179.385 176.870 -0.219 0.000 1.077 623 L CA 1.449 56.071 54.840 -0.364 0.000 0.747 623 L CB -0.642 41.233 42.059 -0.307 0.000 0.896 623 L HN 0.316 nan 8.230 nan 0.000 0.432 624 S N 0.248 115.709 115.700 -0.398 0.000 2.368 624 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 624 S C 1.962 176.442 174.600 -0.201 0.000 1.030 624 S CA 1.088 59.092 58.200 -0.328 0.000 0.999 624 S CB -0.261 62.597 63.200 -0.570 0.000 0.844 624 S HN 0.313 nan 8.310 nan 0.000 0.459 625 I N 1.191 121.563 120.570 -0.329 0.000 2.286 625 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 625 I C 2.491 178.621 176.117 0.021 0.000 1.115 625 I CA 1.401 62.493 61.300 -0.347 0.000 1.392 625 I CB -0.487 37.237 38.000 -0.460 0.000 1.065 625 I HN 0.425 nan 8.210 nan 0.000 0.418 626 H N -0.968 118.066 119.070 -0.059 0.000 2.353 626 H HA -0.243 4.313 4.556 -0.000 0.000 0.300 626 H C 2.191 177.584 175.328 0.108 0.000 1.090 626 H CA 1.752 57.837 56.048 0.062 0.000 1.327 626 H CB -0.048 29.799 29.762 0.143 0.000 1.383 626 H HN 0.358 nan 8.280 nan 0.000 0.508 627 Y N 1.912 122.279 120.300 0.112 0.000 2.145 627 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 627 Y C 2.914 178.866 175.900 0.086 0.000 1.145 627 Y CA 1.726 59.867 58.100 0.068 0.000 1.148 627 Y CB -0.034 38.423 38.460 -0.005 0.000 0.981 627 Y HN -0.012 nan 8.280 nan 0.000 0.507 628 R N 0.638 121.185 120.500 0.079 0.000 2.080 628 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 628 R C 2.140 178.446 176.300 0.010 0.000 1.137 628 R CA 2.409 58.522 56.100 0.022 0.000 0.943 628 R CB -0.691 29.691 30.300 0.136 0.000 0.846 628 R HN 0.499 nan 8.270 nan 0.000 0.431 629 I N 0.649 121.256 120.570 0.061 0.000 2.127 629 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 629 I C 2.298 178.425 176.117 0.017 0.000 1.075 629 I CA 1.937 63.269 61.300 0.053 0.000 1.334 629 I CB -0.567 37.478 38.000 0.075 0.000 1.040 629 I HN 0.326 nan 8.210 nan 0.000 0.405 630 T N 1.311 115.871 114.554 0.010 0.000 2.720 630 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 630 T C 1.999 176.693 174.700 -0.010 0.000 1.037 630 T CA 1.155 63.258 62.100 0.005 0.000 1.144 630 T CB -0.313 68.582 68.868 0.044 0.000 0.864 630 T HN 0.258 nan 8.240 nan 0.000 0.444 631 L N 0.649 121.842 121.223 -0.050 0.000 2.012 631 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 631 L C 2.785 179.675 176.870 0.033 0.000 1.073 631 L CA 1.704 56.538 54.840 -0.009 0.000 0.748 631 L CB -0.383 41.572 42.059 -0.174 0.000 0.891 631 L HN 0.410 nan 8.230 nan 0.000 0.431 632 Q N -1.326 118.475 119.800 0.001 0.000 2.079 632 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 632 Q C 2.181 178.179 176.000 -0.004 0.000 0.974 632 Q CA 1.474 57.279 55.803 0.004 0.000 0.840 632 Q CB -0.117 28.606 28.738 -0.025 0.000 0.898 632 Q HN 0.377 nan 8.270 nan 0.000 0.430 633 V N 1.313 121.231 119.914 0.006 0.000 2.332 633 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 633 V C 2.187 178.355 176.094 0.123 0.000 1.055 633 V CA 1.583 63.911 62.300 0.047 0.000 1.038 633 V CB -0.481 31.400 31.823 0.096 0.000 0.651 633 V HN 0.368 nan 8.190 nan 0.000 0.450 634 L N -0.939 120.316 121.223 0.053 0.000 2.083 634 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 634 L C 2.458 179.374 176.870 0.076 0.000 1.083 634 L CA 1.126 55.952 54.840 -0.024 0.000 0.752 634 L CB -0.550 41.113 42.059 -0.660 0.000 0.899 634 L HN 0.353 nan 8.230 nan 0.000 0.433 635 L N 0.181 121.468 121.223 0.106 0.000 2.043 635 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 635 L C 2.742 179.613 176.870 0.001 0.000 1.075 635 L CA 2.630 57.525 54.840 0.091 0.000 0.752 635 L CB -0.815 41.296 42.059 0.087 0.000 0.891 635 L HN 0.478 nan 8.230 nan 0.000 0.432 636 T N -3.570 110.973 114.554 -0.019 0.000 2.821 636 T HA -0.199 4.150 4.350 -0.000 0.000 0.267 636 T C 1.813 176.511 174.700 -0.003 0.000 1.046 636 T CA 1.446 63.514 62.100 -0.054 0.000 1.139 636 T CB -0.973 67.821 68.868 -0.123 0.000 0.871 636 T HN 0.273 nan 8.240 nan 0.000 0.454 637 F N 1.273 121.269 119.950 0.076 0.000 2.216 637 F HA 0.065 4.592 4.527 -0.000 0.000 0.300 637 F C 2.693 178.621 175.800 0.212 0.000 1.085 637 F CA 0.549 58.679 58.000 0.216 0.000 1.326 637 F CB -0.650 38.583 39.000 0.387 0.000 1.027 637 F HN 0.034 nan 8.300 nan 0.000 0.497 638 V N 0.187 120.147 119.914 0.077 0.000 2.307 638 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 638 V C 2.293 178.442 176.094 0.092 0.000 1.045 638 V CA 1.674 63.953 62.300 -0.034 0.000 1.024 638 V CB -0.626 31.108 31.823 -0.149 0.000 0.651 638 V HN 0.273 nan 8.190 nan 0.000 0.449 639 L N -1.333 119.835 121.223 -0.092 0.000 2.027 639 L HA -0.017 4.323 4.340 -0.000 0.000 0.206 639 L C 0.511 177.129 176.870 -0.420 0.000 1.074 639 L CA 1.263 55.927 54.840 -0.292 0.000 0.745 639 L CB -0.367 41.166 42.059 -0.876 0.000 0.898 639 L HN 0.254 nan 8.230 nan 0.000 0.433 640 F N -0.498 119.459 119.950 0.012 0.000 2.375 640 F HA 0.303 4.830 4.527 -0.000 0.000 0.361 640 F C -0.401 175.439 175.800 0.066 0.000 1.117 640 F CA -1.247 56.743 58.000 -0.017 0.000 1.037 640 F CB 0.354 39.326 39.000 -0.046 0.000 1.192 640 F HN -0.184 nan 8.300 nan 0.000 0.452 641 D N 4.668 125.202 120.400 0.222 0.000 2.352 641 D HA 0.320 4.960 4.640 -0.000 0.000 0.245 641 D C 0.302 176.746 176.300 0.241 0.000 1.224 641 D CA -0.008 54.146 54.000 0.256 0.000 0.879 641 D CB 0.725 41.637 40.800 0.186 0.000 1.057 641 D HN 0.343 nan 8.370 nan 0.000 0.491 642 L N 0.960 122.377 121.223 0.323 0.000 2.682 642 L HA 0.388 4.728 4.340 -0.000 0.000 0.209 642 L C 0.211 177.267 176.870 0.310 0.000 1.195 642 L CA -0.915 54.120 54.840 0.326 0.000 0.869 642 L CB 0.229 42.575 42.059 0.479 0.000 1.599 642 L HN 0.169 nan 8.230 nan 0.000 0.518 643 D N -0.298 120.259 120.400 0.262 0.000 2.336 643 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 643 D C 0.875 177.271 176.300 0.161 0.000 1.213 643 D CA 0.005 54.086 54.000 0.135 0.000 0.870 643 D CB 1.344 42.148 40.800 0.008 0.000 1.076 643 D HN 0.415 nan 8.370 nan 0.000 0.483 644 T N 1.862 116.483 114.554 0.112 0.000 2.929 644 T HA -0.182 4.168 4.350 -0.000 0.000 0.271 644 T C 1.705 176.403 174.700 -0.003 0.000 1.085 644 T CA 1.177 63.302 62.100 0.042 0.000 1.125 644 T CB -0.040 68.795 68.868 -0.056 0.000 0.874 644 T HN 0.597 nan 8.240 nan 0.000 0.494 645 E N 1.010 121.199 120.200 -0.018 0.000 2.077 645 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 645 E C 2.041 178.584 176.600 -0.095 0.000 0.989 645 E CA 1.082 57.450 56.400 -0.054 0.000 0.800 645 E CB -0.438 29.232 29.700 -0.049 0.000 0.746 645 E HN 0.435 nan 8.360 nan 0.000 0.452 646 I N -0.292 120.185 120.570 -0.156 0.000 2.480 646 I HA -0.089 4.081 4.170 -0.000 0.000 0.251 646 I C 1.015 176.912 176.117 -0.368 0.000 1.124 646 I CA 0.649 61.747 61.300 -0.336 0.000 1.444 646 I CB 0.105 37.764 38.000 -0.568 0.000 1.098 646 I HN 0.039 nan 8.210 nan 0.000 0.428 647 F N 0.538 120.547 119.950 0.098 0.000 2.668 647 F HA 0.288 4.815 4.527 -0.000 0.000 0.297 647 F C 1.953 177.715 175.800 -0.064 0.000 1.124 647 F CA -0.292 57.778 58.000 0.117 0.000 1.353 647 F CB -0.689 38.493 39.000 0.303 0.000 0.992 647 F HN -0.115 nan 8.300 nan 0.000 0.524 648 G N -0.255 108.553 108.800 0.013 0.000 2.421 648 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 648 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 648 G C 1.575 176.426 174.900 -0.082 0.000 1.171 648 G CA 0.517 45.579 45.100 -0.064 0.000 0.775 648 G HN 0.322 nan 8.290 nan 0.000 0.543 649 Q N -0.848 118.879 119.800 -0.121 0.000 2.124 649 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 649 Q C 2.456 178.402 176.000 -0.090 0.000 0.977 649 Q CA 1.033 56.754 55.803 -0.137 0.000 0.850 649 Q CB -0.082 28.542 28.738 -0.190 0.000 0.901 649 Q HN 0.542 nan 8.270 nan 0.000 0.429 650 H N -0.005 119.078 119.070 0.021 0.000 2.321 650 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 650 H C 2.080 177.345 175.328 -0.104 0.000 1.087 650 H CA 1.165 57.218 56.048 0.008 0.000 1.319 650 H CB -0.203 29.635 29.762 0.127 0.000 1.379 650 H HN 0.266 nan 8.280 nan 0.000 0.501 651 I N 0.849 121.380 120.570 -0.065 0.000 2.315 651 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 651 I C 2.619 178.649 176.117 -0.146 0.000 1.117 651 I CA 1.312 62.465 61.300 -0.245 0.000 1.404 651 I CB -0.207 37.558 38.000 -0.392 0.000 1.071 651 I HN 0.266 nan 8.210 nan 0.000 0.419 652 S N 0.409 116.047 115.700 -0.103 0.000 2.368 652 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 652 S C 2.052 176.617 174.600 -0.058 0.000 1.030 652 S CA 1.787 59.939 58.200 -0.080 0.000 0.999 652 S CB -1.154 62.005 63.200 -0.069 0.000 0.844 652 S HN 0.537 nan 8.310 nan 0.000 0.459 653 T N 1.861 116.389 114.554 -0.043 0.000 2.821 653 T HA 0.123 4.473 4.350 -0.000 0.000 0.267 653 T C 1.897 176.566 174.700 -0.052 0.000 1.046 653 T CA 0.988 63.065 62.100 -0.038 0.000 1.139 653 T CB -0.611 68.246 68.868 -0.018 0.000 0.871 653 T HN 0.239 nan 8.240 nan 0.000 0.454 654 L N 0.595 121.781 121.223 -0.061 0.000 2.046 654 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 654 L C 2.714 179.548 176.870 -0.061 0.000 1.077 654 L CA 1.515 56.310 54.840 -0.075 0.000 0.747 654 L CB -1.043 40.945 42.059 -0.119 0.000 0.896 654 L HN 0.340 nan 8.230 nan 0.000 0.432 655 L N -0.530 120.642 121.223 -0.085 0.000 2.056 655 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 655 L C 2.488 179.401 176.870 0.072 0.000 1.078 655 L CA 1.358 56.168 54.840 -0.049 0.000 0.749 655 L CB -0.598 41.425 42.059 -0.060 0.000 0.901 655 L HN 0.370 nan 8.230 nan 0.000 0.433 656 D N 0.568 120.988 120.400 0.034 0.000 2.097 656 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 656 D C 2.291 178.677 176.300 0.142 0.000 0.984 656 D CA 1.196 55.238 54.000 0.071 0.000 0.826 656 D CB 0.180 40.989 40.800 0.015 0.000 0.973 656 D HN 0.279 nan 8.370 nan 0.000 0.460 657 L N 0.323 121.570 121.223 0.039 0.000 2.046 657 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 657 L C 2.778 179.763 176.870 0.192 0.000 1.077 657 L CA 1.038 55.861 54.840 -0.028 0.000 0.747 657 L CB -0.982 40.917 42.059 -0.266 0.000 0.896 657 L HN 0.289 nan 8.230 nan 0.000 0.432 658 H N -0.311 118.840 119.070 0.135 0.000 2.353 658 H HA -0.276 4.280 4.556 -0.000 0.000 0.300 658 H C 2.216 177.754 175.328 0.350 0.000 1.090 658 H CA 2.141 58.338 56.048 0.249 0.000 1.327 658 H CB -0.231 29.622 29.762 0.151 0.000 1.383 658 H HN 0.358 nan 8.280 nan 0.000 0.508 659 Y N 1.693 122.220 120.300 0.378 0.000 2.181 659 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 659 Y C 2.590 178.649 175.900 0.265 0.000 1.146 659 Y CA 1.953 60.241 58.100 0.312 0.000 1.164 659 Y CB -0.035 38.556 38.460 0.218 0.000 0.982 659 Y HN 0.079 nan 8.280 nan 0.000 0.515 660 K N -0.178 120.453 120.400 0.385 0.000 2.057 660 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 660 K C 2.124 178.844 176.600 0.200 0.000 1.050 660 K CA 1.812 58.270 56.287 0.284 0.000 0.935 660 K CB -0.164 32.565 32.500 0.381 0.000 0.715 660 K HN 0.460 nan 8.250 nan 0.000 0.439 661 Q N -0.287 119.663 119.800 0.250 0.000 2.084 661 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 661 Q C 1.879 177.863 176.000 -0.026 0.000 0.978 661 Q CA 1.504 57.403 55.803 0.159 0.000 0.844 661 Q CB -0.159 28.739 28.738 0.267 0.000 0.898 661 Q HN 0.256 nan 8.270 nan 0.000 0.426 662 F N 0.851 120.689 119.950 -0.186 0.000 2.134 662 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 662 F C 1.686 177.350 175.800 -0.227 0.000 1.097 662 F CA 1.141 58.955 58.000 -0.309 0.000 1.264 662 F CB 0.026 38.891 39.000 -0.225 0.000 1.001 662 F HN -0.016 nan 8.300 nan 0.000 0.479 663 L N -0.614 120.583 121.223 -0.043 0.000 2.056 663 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 663 L C 2.406 179.192 176.870 -0.140 0.000 1.078 663 L CA 1.003 55.778 54.840 -0.108 0.000 0.749 663 L CB -0.679 41.330 42.059 -0.083 0.000 0.901 663 L HN 0.244 nan 8.230 nan 0.000 0.433 664 L N -0.240 120.920 121.223 -0.105 0.000 2.017 664 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 664 L C 2.282 179.088 176.870 -0.106 0.000 1.073 664 L CA 1.542 56.329 54.840 -0.089 0.000 0.745 664 L CB -0.248 41.763 42.059 -0.079 0.000 0.894 664 L HN 0.126 nan 8.230 nan 0.000 0.432 665 L N -0.507 120.600 121.223 -0.193 0.000 2.450 665 L HA -0.165 4.175 4.340 -0.000 0.000 0.224 665 L C 2.039 178.800 176.870 -0.183 0.000 1.149 665 L CA 0.563 55.297 54.840 -0.176 0.000 0.816 665 L CB -0.735 41.120 42.059 -0.340 0.000 0.932 665 L HN 0.406 nan 8.230 nan 0.000 0.449 666 N N -0.167 118.364 118.700 -0.281 0.000 2.368 666 N HA 0.033 4.773 4.740 -0.000 0.000 0.178 666 N C 1.949 177.375 175.510 -0.138 0.000 1.021 666 N CA 0.665 53.559 53.050 -0.261 0.000 0.875 666 N CB 0.219 38.491 38.487 -0.358 0.000 1.020 666 N HN 0.279 nan 8.380 nan 0.000 0.433 667 L N 0.255 121.415 121.223 -0.104 0.000 2.042 667 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 667 L C 2.382 179.197 176.870 -0.092 0.000 1.076 667 L CA 1.290 56.080 54.840 -0.083 0.000 0.749 667 L CB -0.712 41.309 42.059 -0.063 0.000 0.893 667 L HN 0.193 nan 8.230 nan 0.000 0.432 668 Y N 1.328 121.519 120.300 -0.181 0.000 2.114 668 Y HA -0.383 4.167 4.550 -0.000 0.000 0.282 668 Y C 2.921 178.681 175.900 -0.233 0.000 1.165 668 Y CA 2.778 60.747 58.100 -0.218 0.000 1.148 668 Y CB -0.506 37.824 38.460 -0.217 0.000 0.972 668 Y HN 0.084 nan 8.280 nan 0.000 0.504 669 R N 1.015 121.426 120.500 -0.147 0.000 2.081 669 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 669 R C 0.959 177.109 176.300 -0.249 0.000 1.131 669 R CA 1.820 57.793 56.100 -0.212 0.000 0.960 669 R CB -1.373 28.858 30.300 -0.114 0.000 0.856 669 R HN 0.653 nan 8.270 nan 0.000 0.436 670 Q N 0.667 120.346 119.800 -0.200 0.000 2.290 670 Q HA 0.295 4.635 4.340 -0.000 0.000 0.259 670 Q C -1.105 174.766 176.000 -0.215 0.000 0.941 670 Q CA -0.820 54.877 55.803 -0.176 0.000 0.912 670 Q CB 1.814 30.488 28.738 -0.107 0.000 1.244 670 Q HN 0.411 nan 8.270 nan 0.000 0.441 671 D N 2.093 122.353 120.400 -0.234 0.000 2.803 671 D HA -0.174 4.466 4.640 -0.000 0.000 0.233 671 D C 0.247 176.332 176.300 -0.359 0.000 1.182 671 D CA 0.718 54.558 54.000 -0.266 0.000 0.726 671 D CB -0.139 40.544 40.800 -0.196 0.000 0.987 671 D HN 0.686 nan 8.370 nan 0.000 0.412 672 K N -0.063 120.038 120.400 -0.499 0.000 2.152 672 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 672 K C 2.290 178.428 176.600 -0.771 0.000 1.048 672 K CA 1.473 57.370 56.287 -0.649 0.000 0.933 672 K CB -0.240 31.755 32.500 -0.842 0.000 0.721 672 K HN 0.565 nan 8.250 nan 0.000 0.447 673 C N 1.074 119.895 119.300 -0.799 0.000 2.429 673 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 673 C C 2.454 177.227 174.990 -0.362 0.000 1.262 673 C CA 0.538 59.132 59.018 -0.707 0.000 1.733 673 C CB -0.815 26.620 27.740 -0.508 0.000 2.010 673 C HN 0.485 nan 8.230 nan 0.000 0.483 674 L N 0.634 121.691 121.223 -0.278 0.000 2.093 674 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 674 L C 2.286 179.071 176.870 -0.142 0.000 1.085 674 L CA 1.697 56.435 54.840 -0.170 0.000 0.755 674 L CB -0.920 41.049 42.059 -0.150 0.000 0.904 674 L HN 0.481 nan 8.230 nan 0.000 0.435 675 L N -0.782 120.334 121.223 -0.180 0.000 2.083 675 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 675 L C 2.452 179.273 176.870 -0.082 0.000 1.083 675 L CA 1.587 56.353 54.840 -0.124 0.000 0.752 675 L CB -0.487 41.492 42.059 -0.133 0.000 0.899 675 L HN 0.428 nan 8.230 nan 0.000 0.433 676 A N -0.399 122.355 122.820 -0.110 0.000 1.898 676 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 676 A C 2.014 179.634 177.584 0.061 0.000 1.181 676 A CA 1.603 53.642 52.037 0.003 0.000 0.620 676 A CB -0.435 18.596 19.000 0.052 0.000 0.819 676 A HN 0.552 nan 8.150 nan 0.000 0.442 677 E N -0.330 119.893 120.200 0.037 0.000 2.077 677 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 677 E C 2.011 178.642 176.600 0.051 0.000 0.989 677 E CA 1.346 57.791 56.400 0.074 0.000 0.800 677 E CB -0.268 29.453 29.700 0.035 0.000 0.746 677 E HN 0.416 nan 8.360 nan 0.000 0.452 678 V N 1.709 121.629 119.914 0.010 0.000 2.295 678 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 678 V C 2.345 178.450 176.094 0.018 0.000 1.049 678 V CA 1.391 63.693 62.300 0.005 0.000 1.024 678 V CB -0.446 31.366 31.823 -0.018 0.000 0.648 678 V HN 0.301 nan 8.190 nan 0.000 0.447 679 L N -0.688 120.546 121.223 0.018 0.000 2.083 679 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 679 L C 2.323 179.227 176.870 0.057 0.000 1.083 679 L CA 1.270 56.121 54.840 0.017 0.000 0.752 679 L CB -0.408 41.652 42.059 0.002 0.000 0.899 679 L HN 0.333 nan 8.230 nan 0.000 0.433 680 L N -0.261 121.025 121.223 0.106 0.000 2.418 680 L HA -0.117 4.223 4.340 -0.000 0.000 0.218 680 L C 2.312 179.263 176.870 0.134 0.000 1.125 680 L CA 1.075 56.016 54.840 0.169 0.000 0.835 680 L CB -0.594 41.597 42.059 0.221 0.000 0.953 680 L HN 0.320 nan 8.230 nan 0.000 0.454 681 K N -0.048 120.404 120.400 0.087 0.000 2.243 681 K HA -0.106 4.214 4.320 -0.000 0.000 0.201 681 K C 1.362 177.979 176.600 0.029 0.000 1.051 681 K CA 0.741 57.055 56.287 0.044 0.000 0.970 681 K CB 0.367 32.883 32.500 0.025 0.000 0.755 681 K HN 0.053 nan 8.250 nan 0.000 0.465 682 D N -0.147 120.275 120.400 0.036 0.000 2.162 682 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 682 D C 1.530 177.858 176.300 0.047 0.000 0.967 682 D CA 1.239 55.256 54.000 0.029 0.000 0.840 682 D CB 0.259 41.071 40.800 0.020 0.000 0.972 682 D HN 0.222 nan 8.370 nan 0.000 0.482 683 S N -1.539 114.206 115.700 0.075 0.000 2.535 683 S HA 0.152 4.622 4.470 -0.000 0.000 0.214 683 S C 0.937 175.642 174.600 0.176 0.000 0.980 683 S CA -0.486 57.788 58.200 0.123 0.000 0.907 683 S CB 0.547 63.812 63.200 0.107 0.000 0.790 683 S HN -0.052 nan 8.310 nan 0.000 0.510 684 S N 1.690 117.468 115.700 0.129 0.000 2.442 684 S HA 0.254 4.724 4.470 -0.000 0.000 0.297 684 S C 0.968 175.605 174.600 0.061 0.000 1.131 684 S CA -0.687 57.583 58.200 0.116 0.000 1.092 684 S CB 1.298 64.562 63.200 0.108 0.000 0.998 684 S HN 0.520 nan 8.310 nan 0.000 0.478 685 E N 3.856 124.110 120.200 0.090 0.000 2.077 685 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 685 E C 0.466 176.990 176.600 -0.126 0.000 0.989 685 E CA 1.615 58.024 56.400 0.014 0.000 0.800 685 E CB -0.127 29.634 29.700 0.102 0.000 0.746 685 E HN 0.796 nan 8.360 nan 0.000 0.452 686 F N 0.274 120.164 119.950 -0.099 0.000 2.695 686 F HA 0.123 4.650 4.527 -0.000 0.000 0.303 686 F C 1.163 176.700 175.800 -0.438 0.000 1.091 686 F CA 0.676 58.540 58.000 -0.226 0.000 1.300 686 F CB 0.786 39.678 39.000 -0.181 0.000 1.071 686 F HN 0.168 nan 8.300 nan 0.000 0.578 687 S N -1.541 114.094 115.700 -0.109 0.000 3.018 687 S HA -0.312 4.158 4.470 -0.000 0.000 0.274 687 S C 0.670 175.280 174.600 0.016 0.000 1.300 687 S CA 1.121 59.256 58.200 -0.109 0.000 1.179 687 S CB -2.791 60.292 63.200 -0.196 0.000 1.427 687 S HN 0.474 nan 8.310 nan 0.000 0.668 688 F N 2.483 122.534 119.950 0.168 0.000 2.695 688 F HA 0.519 5.046 4.527 -0.000 0.000 0.303 688 F C 1.816 177.641 175.800 0.043 0.000 1.091 688 F CA 0.296 58.388 58.000 0.152 0.000 1.300 688 F CB 1.006 40.099 39.000 0.155 0.000 1.071 688 F HN 0.867 nan 8.300 nan 0.000 0.578 689 G N 0.735 109.626 108.800 0.152 0.000 2.566 689 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.599 689 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.599 689 G C -1.009 173.713 174.900 -0.297 0.000 1.292 689 G CA -1.007 44.053 45.100 -0.065 0.000 0.922 689 G HN -0.070 nan 8.290 nan 0.000 0.514 690 V N 0.199 119.668 119.914 -0.743 0.000 3.369 690 V HA 0.875 4.995 4.120 -0.000 0.000 0.309 690 V C 1.076 176.645 176.094 -0.875 0.000 1.069 690 V CA 0.416 62.245 62.300 -0.784 0.000 1.042 690 V CB 1.368 32.499 31.823 -1.153 0.000 1.192 690 V HN 1.646 nan 8.190 nan 0.000 0.447 691 K N 0.716 120.667 120.400 -0.749 0.000 2.274 691 K HA 0.682 5.002 4.320 -0.000 0.000 0.262 691 K C -1.113 174.990 176.600 -0.828 0.000 0.961 691 K CA -0.491 55.298 56.287 -0.830 0.000 0.833 691 K CB 0.919 32.955 32.500 -0.774 0.000 1.102 691 K HN 0.388 nan 8.250 nan 0.000 0.436 692 F N 2.206 121.969 119.950 -0.312 0.000 2.404 692 F HA 0.522 5.049 4.527 -0.000 0.000 0.358 692 F C 0.405 176.257 175.800 0.087 0.000 1.120 692 F CA -1.197 56.733 58.000 -0.117 0.000 1.144 692 F CB 0.709 39.727 39.000 0.030 0.000 1.133 692 F HN 0.529 nan 8.300 nan 0.000 0.495 693 F N 0.470 120.555 119.950 0.225 0.000 2.784 693 F HA 0.239 4.766 4.527 -0.000 0.000 0.323 693 F C 0.280 176.123 175.800 0.070 0.000 1.085 693 F CA -0.447 57.621 58.000 0.112 0.000 1.196 693 F CB -0.047 38.986 39.000 0.054 0.000 1.053 693 F HN 0.258 nan 8.300 nan 0.000 0.578 694 N N -0.937 117.917 118.700 0.255 0.000 2.225 694 N HA 0.127 4.867 4.740 -0.000 0.000 0.298 694 N C 0.264 175.841 175.510 0.111 0.000 1.076 694 N CA -0.483 52.657 53.050 0.150 0.000 0.792 694 N CB 1.471 40.065 38.487 0.177 0.000 1.498 694 N HN -0.207 nan 8.380 nan 0.000 0.474 695 Y N 1.457 121.821 120.300 0.105 0.000 2.128 695 Y HA -0.116 4.434 4.550 -0.000 0.000 0.284 695 Y C 2.386 178.313 175.900 0.045 0.000 1.154 695 Y CA 2.079 60.207 58.100 0.048 0.000 1.149 695 Y CB -0.657 37.822 38.460 0.032 0.000 0.976 695 Y HN 0.788 nan 8.280 nan 0.000 0.505 696 G N -1.181 107.760 108.800 0.234 0.000 2.462 696 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 696 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 696 G C 1.568 176.575 174.900 0.178 0.000 1.121 696 G CA 0.936 46.136 45.100 0.166 0.000 0.758 696 G HN 0.440 nan 8.290 nan 0.000 0.559 697 Q N -0.891 119.029 119.800 0.200 0.000 2.269 697 Q HA 0.115 4.455 4.340 -0.000 0.000 0.201 697 Q C 2.315 178.462 176.000 0.245 0.000 0.946 697 Q CA 0.407 56.364 55.803 0.256 0.000 0.877 697 Q CB -0.064 28.824 28.738 0.251 0.000 0.963 697 Q HN 0.436 nan 8.270 nan 0.000 0.472 698 L N 0.097 121.394 121.223 0.123 0.000 2.068 698 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 698 L C 1.848 178.694 176.870 -0.040 0.000 1.076 698 L CA 1.471 56.239 54.840 -0.120 0.000 0.753 698 L CB -0.397 41.443 42.059 -0.365 0.000 0.910 698 L HN 0.217 nan 8.230 nan 0.000 0.439 699 I N 0.277 120.863 120.570 0.028 0.000 2.208 699 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 699 I C 2.636 178.793 176.117 0.066 0.000 1.097 699 I CA 1.287 62.602 61.300 0.025 0.000 1.363 699 I CB -0.635 37.388 38.000 0.039 0.000 1.051 699 I HN 0.426 nan 8.210 nan 0.000 0.413 700 A N 0.062 122.972 122.820 0.151 0.000 1.908 700 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 700 A C 2.283 180.018 177.584 0.253 0.000 1.181 700 A CA 1.874 54.055 52.037 0.239 0.000 0.627 700 A CB -1.021 18.204 19.000 0.376 0.000 0.818 700 A HN 0.539 nan 8.150 nan 0.000 0.445 701 Y N 0.264 120.583 120.300 0.030 0.000 2.220 701 Y HA -0.094 4.456 4.550 -0.000 0.000 0.291 701 Y C 2.001 177.855 175.900 -0.077 0.000 1.129 701 Y CA 1.036 59.049 58.100 -0.145 0.000 1.161 701 Y CB -0.047 38.283 38.460 -0.216 0.000 0.997 701 Y HN 0.222 nan 8.280 nan 0.000 0.522 702 I N 0.478 120.977 120.570 -0.119 0.000 2.286 702 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 702 I C 2.193 178.188 176.117 -0.204 0.000 1.115 702 I CA 1.602 62.779 61.300 -0.204 0.000 1.392 702 I CB -1.268 36.644 38.000 -0.146 0.000 1.065 702 I HN 0.319 nan 8.210 nan 0.000 0.418 703 D N 0.778 121.113 120.400 -0.109 0.000 2.144 703 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 703 D C 2.287 178.538 176.300 -0.082 0.000 0.978 703 D CA 1.645 55.603 54.000 -0.071 0.000 0.833 703 D CB 0.304 41.110 40.800 0.009 0.000 0.961 703 D HN 0.389 nan 8.370 nan 0.000 0.470 704 S N -0.062 115.592 115.700 -0.077 0.000 2.355 704 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 704 S C 2.236 176.739 174.600 -0.162 0.000 1.031 704 S CA 0.517 58.682 58.200 -0.057 0.000 0.993 704 S CB -0.646 62.588 63.200 0.056 0.000 0.859 704 S HN 0.148 nan 8.310 nan 0.000 0.453 705 L N 2.987 124.017 121.223 -0.323 0.000 2.013 705 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 705 L C 2.537 179.260 176.870 -0.245 0.000 1.073 705 L CA 1.931 56.590 54.840 -0.301 0.000 0.753 705 L CB -1.421 40.409 42.059 -0.382 0.000 0.890 705 L HN 0.544 nan 8.230 nan 0.000 0.432 706 N N -1.519 117.019 118.700 -0.270 0.000 2.043 706 N HA -0.260 4.480 4.740 -0.000 0.000 0.193 706 N C 2.138 177.461 175.510 -0.312 0.000 1.037 706 N CA 1.351 54.187 53.050 -0.357 0.000 0.851 706 N CB -0.011 38.290 38.487 -0.310 0.000 1.027 706 N HN 0.329 nan 8.380 nan 0.000 0.422 707 S N 0.763 116.385 115.700 -0.130 0.000 2.359 707 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 707 S C 1.605 176.201 174.600 -0.007 0.000 1.035 707 S CA 1.621 59.814 58.200 -0.013 0.000 1.018 707 S CB -0.505 62.710 63.200 0.025 0.000 0.876 707 S HN 0.395 nan 8.310 nan 0.000 0.448 708 N N 0.610 119.283 118.700 -0.046 0.000 2.205 708 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 708 N C 1.561 177.064 175.510 -0.013 0.000 1.015 708 N CA 1.347 54.383 53.050 -0.023 0.000 0.862 708 N CB -0.491 37.968 38.487 -0.047 0.000 0.986 708 N HN 0.303 nan 8.380 nan 0.000 0.429 709 V N -0.473 119.395 119.914 -0.076 0.000 2.446 709 V HA -0.124 3.996 4.120 -0.000 0.000 0.244 709 V C 1.309 177.467 176.094 0.108 0.000 1.039 709 V CA 1.058 63.329 62.300 -0.049 0.000 1.045 709 V CB -0.522 31.189 31.823 -0.186 0.000 0.681 709 V HN 0.261 nan 8.190 nan 0.000 0.459 710 Y N 0.723 121.056 120.300 0.054 0.000 2.571 710 Y HA 0.014 4.564 4.550 -0.000 0.000 0.294 710 Y C 1.994 177.938 175.900 0.073 0.000 1.141 710 Y CA 0.416 58.563 58.100 0.078 0.000 1.308 710 Y CB -0.639 37.871 38.460 0.085 0.000 1.002 710 Y HN 0.379 nan 8.280 nan 0.000 0.551 711 N N -0.511 118.311 118.700 0.204 0.000 2.205 711 N HA 0.189 4.929 4.740 -0.000 0.000 0.201 711 N C 0.505 176.081 175.510 0.111 0.000 1.128 711 N CA 0.336 53.468 53.050 0.136 0.000 0.867 711 N CB 0.057 38.605 38.487 0.102 0.000 0.996 711 N HN 0.053 nan 8.380 nan 0.000 0.503 712 A N 0.756 123.648 122.820 0.120 0.000 2.466 712 A HA 0.295 4.615 4.320 -0.000 0.000 0.238 712 A C 0.575 178.227 177.584 0.115 0.000 1.074 712 A CA -0.244 51.857 52.037 0.106 0.000 0.774 712 A CB 0.038 19.103 19.000 0.109 0.000 1.015 712 A HN 0.285 nan 8.150 nan 0.000 0.498 713 S N 2.138 117.897 115.700 0.099 0.000 2.411 713 S HA 0.329 4.799 4.470 -0.000 0.000 0.304 713 S C 0.889 175.561 174.600 0.119 0.000 1.098 713 S CA -0.546 57.709 58.200 0.092 0.000 1.068 713 S CB -0.046 63.196 63.200 0.071 0.000 1.032 713 S HN 0.499 nan 8.310 nan 0.000 0.511 714 I N 2.540 123.187 120.570 0.130 0.000 2.118 714 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 714 I C 1.648 177.835 176.117 0.116 0.000 1.070 714 I CA 1.105 62.502 61.300 0.161 0.000 1.327 714 I CB -1.039 36.990 38.000 0.048 0.000 1.034 714 I HN 0.750 nan 8.210 nan 0.000 0.405 715 T N 1.949 116.540 114.554 0.062 0.000 2.849 715 T HA -0.069 4.281 4.350 -0.000 0.000 0.289 715 T C 0.115 174.862 174.700 0.079 0.000 1.010 715 T CA -0.369 61.762 62.100 0.051 0.000 1.161 715 T CB -0.138 68.750 68.868 0.033 0.000 0.989 715 T HN 0.365 nan 8.240 nan 0.000 0.523 716 E N 3.606 123.857 120.200 0.085 0.000 2.194 716 E HA 0.146 4.496 4.350 -0.000 0.000 0.284 716 E C 0.729 177.373 176.600 0.074 0.000 1.035 716 E CA -0.959 55.502 56.400 0.101 0.000 0.836 716 E CB 0.757 30.530 29.700 0.122 0.000 1.070 716 E HN 0.738 nan 8.360 nan 0.000 0.401 717 N N 3.378 122.118 118.700 0.067 0.000 2.051 717 N HA -0.181 4.559 4.740 -0.000 0.000 0.192 717 N C 0.690 176.216 175.510 0.026 0.000 1.049 717 N CA 1.393 54.467 53.050 0.040 0.000 0.845 717 N CB -0.561 37.943 38.487 0.029 0.000 1.031 717 N HN 0.511 nan 8.380 nan 0.000 0.425 718 S N -1.085 114.624 115.700 0.015 0.000 2.766 718 S HA 0.447 4.917 4.470 -0.000 0.000 0.307 718 S C 0.935 175.527 174.600 -0.014 0.000 1.121 718 S CA -0.558 57.621 58.200 -0.036 0.000 0.980 718 S CB 0.485 63.640 63.200 -0.075 0.000 1.159 718 S HN 0.291 nan 8.310 nan 0.000 0.546 719 F N 0.120 120.086 119.950 0.027 0.000 2.365 719 F HA 0.318 4.845 4.527 -0.000 0.000 0.300 719 F C 0.421 176.125 175.800 -0.160 0.000 1.090 719 F CA -1.086 56.868 58.000 -0.077 0.000 1.408 719 F CB -1.440 37.466 39.000 -0.158 0.000 1.060 719 F HN 0.384 nan 8.300 nan 0.000 0.534 723 F N 2.009 121.944 119.950 -0.027 0.000 2.134 723 F HA 0.148 4.675 4.527 -0.000 0.000 0.299 723 F C 1.466 177.356 175.800 0.151 0.000 1.097 723 F CA 1.667 59.663 58.000 -0.007 0.000 1.264 723 F CB -0.302 38.617 39.000 -0.135 0.000 1.001 723 F HN 0.255 nan 8.300 nan 0.000 0.479 724 F N 0.861 121.080 119.950 0.447 0.000 2.134 724 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 724 F C 2.724 178.643 175.800 0.198 0.000 1.097 724 F CA 1.473 59.668 58.000 0.325 0.000 1.264 724 F CB -1.434 37.734 39.000 0.281 0.000 1.001 724 F HN -0.013 nan 8.300 nan 0.000 0.479 725 R N 0.588 121.305 120.500 0.362 0.000 2.075 725 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 725 R C 2.084 178.489 176.300 0.174 0.000 1.126 725 R CA 1.754 58.006 56.100 0.253 0.000 0.963 725 R CB -0.778 29.680 30.300 0.263 0.000 0.858 725 R HN 0.207 nan 8.270 nan 0.000 0.435 726 S N 0.267 116.033 115.700 0.111 0.000 2.382 726 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 726 S C 1.577 176.178 174.600 0.002 0.000 1.027 726 S CA 1.173 59.393 58.200 0.033 0.000 0.991 726 S CB -0.471 62.709 63.200 -0.033 0.000 0.823 726 S HN 0.503 nan 8.310 nan 0.000 0.469 727 Y N 1.421 121.610 120.300 -0.185 0.000 2.315 727 Y HA -0.101 4.449 4.550 -0.000 0.000 0.288 727 Y C 1.742 177.620 175.900 -0.036 0.000 1.154 727 Y CA 1.270 59.260 58.100 -0.182 0.000 1.229 727 Y CB -0.095 38.250 38.460 -0.191 0.000 0.980 727 Y HN 0.229 nan 8.280 nan 0.000 0.540 728 I N -1.502 119.102 120.570 0.056 0.000 2.731 728 I HA -0.156 4.014 4.170 -0.000 0.000 0.260 728 I C 1.493 177.645 176.117 0.057 0.000 1.138 728 I CA 0.258 61.571 61.300 0.022 0.000 1.461 728 I CB -0.038 38.015 38.000 0.089 0.000 1.128 728 I HN 0.094 nan 8.210 nan 0.000 0.438 729 I N 1.487 122.108 120.570 0.085 0.000 2.916 729 I HA -0.175 3.995 4.170 -0.000 0.000 0.267 729 I C 1.620 177.758 176.117 0.035 0.000 1.263 729 I CA 0.609 61.965 61.300 0.094 0.000 1.471 729 I CB -0.933 37.112 38.000 0.076 0.000 1.089 729 I HN 0.333 nan 8.210 nan 0.000 0.468 730 E N 0.000 120.183 120.200 -0.028 0.000 2.725 730 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 730 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 730 E CB 0.000 29.611 29.700 -0.149 0.000 0.812 730 E HN 0.000 nan 8.360 nan 0.000 0.440