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 1ja0_1_A DATA FIRST_RESID 63 DATA SEQUENCE PVKESSFVEK MKKTGRNIIV FYGSQTGTAE EFANRLSKDA HRYGMRGMSA DATA SEQUENCE DPEEYDLADL SSLPEIDKSL VVFCMATYGE GDPTDNAQDF YDWLQETDVD DATA SEQUENCE LTGVKFAVFG LGNKTYEHFN AMGKYVDQRL EQLGAQRIFE LGLGDDDGNL DATA SEQUENCE EEDFITWREQ FWPAVCEFFG VEATGEESSI RQYELVVHED MDVAKVYTGE DATA SEQUENCE MGRLKSYENQ KPPFDAKNPF LAAVTANRKL NQGTERHLMH LELDISDSKI DATA SEQUENCE RYESGDHVAV YPANDSALVN QIGEILGADL DVIMSLNNLD EESNKKHPFP DATA SEQUENCE CPTTYRTALT YYLDITNPPR TNVLYELAQY ASEPSEQEHL HKMASSSGEG DATA SEQUENCE KELYLSWVVE ARRHILAILQ DYPSLRPPID HLCELLPRLQ ARYYSIASSS DATA SEQUENCE KVHPNSVHIC AVAVEYEAKS GRVNKGVATS WLRAKEPXXX XXXXALVPMF DATA SEQUENCE VRKSQFRLPF KSTTPVIMVG PGTGIAPFMG FIQERAWLRE QGKEVGETLL DATA SEQUENCE YYGCRRSDED YLYREELARF HKDGALTQLN VAFSREQAHK VYVQHLLKRD DATA SEQUENCE REHLWKLIHE GGAHIYVCGD ARNMAKDVQN TFYDIVAEFG PMEHTQAVDY DATA SEQUENCE VKKLMTKGRY SLDV 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 63 P HA 0.000 nan 4.420 nan 0.000 0.216 63 P C 0.000 177.289 177.300 -0.018 0.000 1.155 63 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 63 P CB 0.000 31.702 31.700 0.003 0.000 0.726 64 V N 2.820 122.722 119.914 -0.019 0.000 4.394 64 V HA -0.128 4.033 4.120 0.069 0.000 0.413 64 V C 0.196 176.256 176.094 -0.057 0.000 0.674 64 V CA 0.382 62.663 62.300 -0.031 0.000 1.706 64 V CB -1.562 30.244 31.823 -0.030 0.000 2.080 64 V HN 0.480 nan 8.190 nan 0.000 0.482 65 K N 1.668 122.033 120.400 -0.057 0.000 2.230 65 K HA 0.377 4.738 4.320 0.069 0.000 0.253 65 K C 0.428 176.949 176.600 -0.133 0.000 1.008 65 K CA -0.247 55.980 56.287 -0.100 0.000 0.910 65 K CB 0.714 33.183 32.500 -0.052 0.000 0.994 65 K HN 0.756 nan 8.250 nan 0.000 0.495 66 E N 0.209 120.254 120.200 -0.258 0.000 2.314 66 E HA 0.090 4.481 4.350 0.069 0.000 0.262 66 E C -0.554 176.012 176.600 -0.056 0.000 1.093 66 E CA -0.190 56.068 56.400 -0.237 0.000 0.908 66 E CB 0.782 30.152 29.700 -0.549 0.000 1.091 66 E HN 0.530 nan 8.360 nan 0.000 0.425 67 S N 1.203 116.915 115.700 0.020 0.000 2.576 67 S HA 0.100 4.612 4.470 0.069 0.000 0.276 67 S C 0.155 174.848 174.600 0.156 0.000 1.339 67 S CA -0.456 57.782 58.200 0.064 0.000 1.039 67 S CB 1.126 64.351 63.200 0.040 0.000 0.902 67 S HN 0.521 nan 8.310 nan 0.000 0.516 68 S N 1.844 117.594 115.700 0.082 0.000 3.799 68 S HA -0.139 4.372 4.470 0.069 0.000 0.454 68 S C 0.827 175.435 174.600 0.014 0.000 1.130 68 S CA 0.143 58.339 58.200 -0.006 0.000 0.966 68 S CB -1.064 62.059 63.200 -0.127 0.000 0.680 68 S HN 0.875 nan 8.310 nan 0.000 0.496 69 F N 4.892 124.908 119.950 0.109 0.000 2.293 69 F HA 0.050 4.618 4.527 0.069 0.000 0.300 69 F C 1.997 177.765 175.800 -0.053 0.000 1.086 69 F CA 0.878 58.847 58.000 -0.052 0.000 1.375 69 F CB -1.261 37.469 39.000 -0.449 0.000 1.045 69 F HN 0.458 nan 8.300 nan 0.000 0.516 70 V N 0.282 119.743 119.914 -0.756 0.000 2.307 70 V HA -0.188 3.974 4.120 0.069 0.000 0.245 70 V C 2.334 178.360 176.094 -0.114 0.000 1.045 70 V CA 2.173 64.293 62.300 -0.300 0.000 1.024 70 V CB -0.671 30.964 31.823 -0.314 0.000 0.651 70 V HN 0.297 nan 8.190 nan 0.000 0.449 71 E N 0.852 120.980 120.200 -0.120 0.000 2.097 71 E HA -0.288 4.103 4.350 0.069 0.000 0.196 71 E C 2.165 178.760 176.600 -0.007 0.000 1.000 71 E CA 2.173 58.544 56.400 -0.048 0.000 0.804 71 E CB -0.445 29.231 29.700 -0.039 0.000 0.740 71 E HN 0.804 nan 8.360 nan 0.000 0.454 72 K N 0.162 120.575 120.400 0.021 0.000 2.097 72 K HA -0.094 4.267 4.320 0.069 0.000 0.206 72 K C 2.230 178.850 176.600 0.034 0.000 1.049 72 K CA 1.270 57.587 56.287 0.050 0.000 0.933 72 K CB -0.045 32.521 32.500 0.110 0.000 0.717 72 K HN 0.069 nan 8.250 nan 0.000 0.442 73 M N 0.392 120.012 119.600 0.033 0.000 2.175 73 M HA -0.148 4.373 4.480 0.069 0.000 0.264 73 M C 2.001 178.306 176.300 0.009 0.000 1.063 73 M CA 1.551 56.864 55.300 0.022 0.000 1.119 73 M CB -0.128 32.494 32.600 0.036 0.000 1.377 73 M HN 0.071 nan 8.290 nan 0.000 0.415 74 K N 0.545 120.947 120.400 0.003 0.000 2.032 74 K HA -0.139 4.223 4.320 0.069 0.000 0.209 74 K C 1.636 178.236 176.600 0.001 0.000 1.048 74 K CA 1.185 57.471 56.287 -0.001 0.000 0.927 74 K CB -0.135 32.361 32.500 -0.008 0.000 0.712 74 K HN 0.319 nan 8.250 nan 0.000 0.441 75 K N 0.194 120.596 120.400 0.004 0.000 2.525 75 K HA 0.011 4.372 4.320 0.069 0.000 0.192 75 K C 0.591 177.194 176.600 0.005 0.000 1.029 75 K CA 0.757 57.047 56.287 0.004 0.000 1.029 75 K CB 0.498 33.003 32.500 0.007 0.000 0.814 75 K HN 0.103 nan 8.250 nan 0.000 0.503 76 T N -0.655 113.902 114.554 0.005 0.000 3.111 76 T HA 0.121 4.512 4.350 0.069 0.000 0.284 76 T C 0.614 175.313 174.700 -0.000 0.000 0.983 76 T CA 0.181 62.283 62.100 0.003 0.000 0.900 76 T CB 1.145 70.017 68.868 0.006 0.000 1.132 76 T HN 0.339 nan 8.240 nan 0.000 0.531 77 G N 3.235 112.034 108.800 -0.002 0.000 2.314 77 G HA2 -0.273 3.728 3.960 0.069 0.000 0.292 77 G HA3 -0.273 3.728 3.960 0.069 0.000 0.292 77 G C -0.210 174.686 174.900 -0.008 0.000 1.059 77 G CA -0.314 44.782 45.100 -0.007 0.000 0.982 77 G HN 0.489 nan 8.290 nan 0.000 0.505 78 R N -0.039 120.459 120.500 -0.004 0.000 2.445 78 R HA 0.369 4.751 4.340 0.069 0.000 0.308 78 R C 0.993 177.289 176.300 -0.007 0.000 0.961 78 R CA -0.380 55.717 56.100 -0.005 0.000 0.862 78 R CB 0.873 31.169 30.300 -0.005 0.000 1.144 78 R HN 0.400 nan 8.270 nan 0.000 0.447 79 N N 3.273 121.963 118.700 -0.016 0.000 2.294 79 N HA 0.031 4.812 4.740 0.069 0.000 0.186 79 N C 0.469 175.967 175.510 -0.020 0.000 1.107 79 N CA 0.161 53.192 53.050 -0.031 0.000 0.884 79 N CB 1.173 39.611 38.487 -0.083 0.000 1.030 79 N HN 0.469 nan 8.380 nan 0.000 0.482 80 I N 0.457 121.029 120.570 0.003 0.000 2.498 80 I HA 0.492 4.704 4.170 0.069 0.000 0.290 80 I C -1.565 174.536 176.117 -0.028 0.000 1.032 80 I CA -1.071 60.242 61.300 0.022 0.000 1.073 80 I CB 2.261 40.325 38.000 0.107 0.000 1.251 80 I HN -0.118 nan 8.210 nan 0.000 0.426 81 I N 7.848 128.353 120.570 -0.108 0.000 2.509 81 I HA 0.536 4.747 4.170 0.069 0.000 0.293 81 I C -1.421 174.465 176.117 -0.385 0.000 1.020 81 I CA -0.663 60.447 61.300 -0.317 0.000 1.088 81 I CB 1.854 39.544 38.000 -0.517 0.000 1.267 81 I HN 0.350 nan 8.210 nan 0.000 0.430 82 V N 7.517 127.188 119.914 -0.405 0.000 2.444 82 V HA 0.419 4.580 4.120 0.069 0.000 0.294 82 V C -0.648 175.204 176.094 -0.402 0.000 1.022 82 V CA -0.495 61.638 62.300 -0.279 0.000 0.850 82 V CB 1.233 33.040 31.823 -0.027 0.000 0.992 82 V HN 0.446 nan 8.190 nan 0.000 0.426 83 F N 4.567 124.309 119.950 -0.347 0.000 2.404 83 F HA 0.634 5.203 4.527 0.069 0.000 0.339 83 F C 0.008 175.786 175.800 -0.037 0.000 1.105 83 F CA -0.672 57.127 58.000 -0.336 0.000 1.087 83 F CB 1.392 40.085 39.000 -0.512 0.000 1.143 83 F HN 0.594 nan 8.300 nan 0.000 0.491 84 Y N -0.242 120.182 120.300 0.207 0.000 2.335 84 Y HA 0.731 5.322 4.550 0.069 0.000 0.338 84 Y C 0.019 176.025 175.900 0.178 0.000 0.977 84 Y CA -2.162 56.041 58.100 0.171 0.000 1.114 84 Y CB 1.063 39.582 38.460 0.098 0.000 1.182 84 Y HN 0.690 nan 8.280 nan 0.000 0.463 85 G N 2.468 111.468 108.800 0.334 0.000 3.161 85 G HA2 0.393 4.394 3.960 0.069 0.000 0.328 85 G HA3 0.393 4.394 3.960 0.069 0.000 0.328 85 G C -0.813 174.222 174.900 0.225 0.000 1.037 85 G CA -0.471 44.780 45.100 0.252 0.000 1.416 85 G HN 0.642 nan 8.290 nan 0.000 0.486 86 S N 0.484 116.341 115.700 0.260 0.000 2.578 86 S HA 0.499 5.010 4.470 0.069 0.000 0.301 86 S C 0.648 175.326 174.600 0.131 0.000 1.091 86 S CA -0.511 57.790 58.200 0.168 0.000 1.032 86 S CB 2.228 65.502 63.200 0.122 0.000 1.064 86 S HN 0.514 nan 8.310 nan 0.000 0.508 87 Q N 1.094 120.956 119.800 0.103 0.000 2.313 87 Q HA 0.335 4.716 4.340 0.069 0.000 0.263 87 Q C 0.568 176.652 176.000 0.141 0.000 0.820 87 Q CA 0.612 56.473 55.803 0.096 0.000 0.974 87 Q CB 0.648 29.431 28.738 0.076 0.000 1.156 87 Q HN 0.676 nan 8.270 nan 0.000 0.517 88 T N -1.330 113.288 114.554 0.107 0.000 3.209 88 T HA 0.431 4.822 4.350 0.069 0.000 0.295 88 T C 0.645 175.360 174.700 0.024 0.000 0.977 88 T CA 0.154 62.311 62.100 0.096 0.000 0.922 88 T CB 1.068 69.995 68.868 0.099 0.000 1.152 88 T HN 0.358 nan 8.240 nan 0.000 0.527 89 G N 1.427 110.217 108.800 -0.018 0.000 2.157 89 G HA2 -0.302 3.699 3.960 0.069 0.000 0.239 89 G HA3 -0.302 3.699 3.960 0.069 0.000 0.239 89 G C 0.838 175.616 174.900 -0.203 0.000 0.982 89 G CA 0.593 45.633 45.100 -0.099 0.000 0.650 89 G HN 0.480 nan 8.290 nan 0.000 0.527 90 T N 0.353 114.769 114.554 -0.229 0.000 2.901 90 T HA 0.352 4.743 4.350 0.069 0.000 0.252 90 T C 2.752 177.072 174.700 -0.634 0.000 1.035 90 T CA 1.843 63.654 62.100 -0.481 0.000 1.142 90 T CB -0.259 68.382 68.868 -0.379 0.000 0.869 90 T HN 1.067 nan 8.240 nan 0.000 0.442 91 A N 1.671 124.334 122.820 -0.262 0.000 1.930 91 A HA -0.110 4.252 4.320 0.069 0.000 0.217 91 A C 2.194 179.731 177.584 -0.078 0.000 1.175 91 A CA 1.913 53.917 52.037 -0.055 0.000 0.627 91 A CB -0.612 18.465 19.000 0.128 0.000 0.815 91 A HN 0.616 nan 8.150 nan 0.000 0.443 92 E N -0.003 120.050 120.200 -0.245 0.000 2.077 92 E HA -0.271 4.121 4.350 0.069 0.000 0.193 92 E C 1.924 178.300 176.600 -0.373 0.000 0.989 92 E CA 1.602 57.631 56.400 -0.618 0.000 0.800 92 E CB -0.163 29.069 29.700 -0.780 0.000 0.746 92 E HN 0.643 nan 8.360 nan 0.000 0.452 93 E N 0.043 120.052 120.200 -0.318 0.000 2.031 93 E HA -0.205 4.186 4.350 0.069 0.000 0.193 93 E C 1.712 178.261 176.600 -0.085 0.000 0.994 93 E CA 1.689 57.958 56.400 -0.219 0.000 0.800 93 E CB -0.538 28.983 29.700 -0.298 0.000 0.752 93 E HN 0.308 nan 8.360 nan 0.000 0.447 94 F N 1.095 120.888 119.950 -0.263 0.000 2.126 94 F HA -0.055 4.514 4.527 0.070 0.000 0.299 94 F C 2.487 178.238 175.800 -0.081 0.000 1.096 94 F CA 0.975 58.704 58.000 -0.452 0.000 1.255 94 F CB -1.524 36.956 39.000 -0.867 0.000 0.997 94 F HN 0.217 nan 8.300 nan 0.000 0.479 95 A N 0.381 123.304 122.820 0.172 0.000 1.865 95 A HA -0.273 4.088 4.320 0.069 0.000 0.217 95 A C 2.127 179.814 177.584 0.172 0.000 1.191 95 A CA 2.178 54.333 52.037 0.196 0.000 0.623 95 A CB -1.338 17.832 19.000 0.283 0.000 0.826 95 A HN 0.507 nan 8.150 nan 0.000 0.444 96 N N -0.992 117.773 118.700 0.108 0.000 2.149 96 N HA -0.189 4.593 4.740 0.069 0.000 0.188 96 N C 2.013 177.613 175.510 0.150 0.000 1.019 96 N CA 1.377 54.487 53.050 0.099 0.000 0.857 96 N CB -0.155 38.360 38.487 0.047 0.000 0.997 96 N HN 0.494 nan 8.380 nan 0.000 0.426 97 R N 0.685 121.309 120.500 0.206 0.000 2.062 97 R HA 0.012 4.393 4.340 0.069 0.000 0.229 97 R C 2.240 178.736 176.300 0.327 0.000 1.128 97 R CA 0.819 57.075 56.100 0.261 0.000 0.960 97 R CB -0.360 30.155 30.300 0.358 0.000 0.855 97 R HN 0.201 nan 8.270 nan 0.000 0.432 98 L N 0.146 121.611 121.223 0.404 0.000 2.046 98 L HA -0.207 4.174 4.340 0.069 0.000 0.208 98 L C 2.673 179.836 176.870 0.487 0.000 1.077 98 L CA 1.297 56.441 54.840 0.507 0.000 0.747 98 L CB -0.595 41.678 42.059 0.356 0.000 0.896 98 L HN 0.265 nan 8.230 nan 0.000 0.432 99 S N 0.735 116.612 115.700 0.296 0.000 2.351 99 S HA -0.250 4.262 4.470 0.069 0.000 0.220 99 S C 1.960 176.668 174.600 0.180 0.000 1.035 99 S CA 2.064 60.392 58.200 0.212 0.000 1.031 99 S CB -0.166 63.103 63.200 0.115 0.000 0.928 99 S HN 0.523 nan 8.310 nan 0.000 0.433 100 K N 0.059 120.540 120.400 0.134 0.000 2.362 100 K HA -0.050 4.311 4.320 0.069 0.000 0.200 100 K C 1.295 177.927 176.600 0.053 0.000 1.046 100 K CA 1.394 57.722 56.287 0.068 0.000 0.952 100 K CB -0.285 32.232 32.500 0.028 0.000 0.753 100 K HN 0.284 nan 8.250 nan 0.000 0.466 101 D N 2.119 122.581 120.400 0.105 0.000 2.097 101 D HA -0.110 4.571 4.640 0.069 0.000 0.195 101 D C 2.100 178.250 176.300 -0.250 0.000 0.989 101 D CA 1.607 55.577 54.000 -0.050 0.000 0.827 101 D CB -0.308 40.556 40.800 0.107 0.000 0.966 101 D HN 0.340 nan 8.370 nan 0.000 0.456 102 A N 1.375 124.108 122.820 -0.145 0.000 1.985 102 A HA -0.321 4.040 4.320 0.069 0.000 0.223 102 A C 2.070 179.588 177.584 -0.109 0.000 1.189 102 A CA 2.220 54.165 52.037 -0.152 0.000 0.658 102 A CB -1.175 17.930 19.000 0.175 0.000 0.820 102 A HN 0.439 nan 8.150 nan 0.000 0.464 103 H N 1.050 120.035 119.070 -0.141 0.000 2.319 103 H HA -0.166 4.431 4.556 0.069 0.000 0.297 103 H C 1.922 177.121 175.328 -0.214 0.000 1.097 103 H CA 2.033 57.997 56.048 -0.140 0.000 1.285 103 H CB -0.165 29.527 29.762 -0.116 0.000 1.368 103 H HN 0.670 nan 8.280 nan 0.000 0.495 104 R N -0.852 119.536 120.500 -0.186 0.000 2.343 104 R HA -0.039 4.343 4.340 0.069 0.000 0.202 104 R C -0.084 175.795 176.300 -0.702 0.000 1.023 104 R CA 0.603 56.458 56.100 -0.408 0.000 1.084 104 R CB -0.341 29.674 30.300 -0.475 0.000 0.956 104 R HN 0.265 nan 8.270 nan 0.000 0.478 105 Y N -0.124 119.976 120.300 -0.333 0.000 2.696 105 Y HA 0.352 4.944 4.550 0.069 0.000 0.255 105 Y C 1.142 176.917 175.900 -0.208 0.000 1.103 105 Y CA -0.587 57.339 58.100 -0.289 0.000 1.126 105 Y CB 1.210 39.425 38.460 -0.410 0.000 1.197 105 Y HN 0.293 nan 8.280 nan 0.000 0.574 106 G N 0.559 109.276 108.800 -0.138 0.000 2.168 106 G HA2 -0.312 3.689 3.960 0.069 0.000 0.257 106 G HA3 -0.312 3.689 3.960 0.069 0.000 0.257 106 G C 0.031 174.865 174.900 -0.109 0.000 0.997 106 G CA 0.793 45.815 45.100 -0.130 0.000 0.708 106 G HN 0.356 nan 8.290 nan 0.000 0.520 107 M N -1.730 117.808 119.600 -0.104 0.000 2.745 107 M HA 0.679 5.200 4.480 0.069 0.000 0.290 107 M C 0.170 176.446 176.300 -0.041 0.000 1.262 107 M CA -0.898 54.367 55.300 -0.058 0.000 0.795 107 M CB 2.000 34.599 32.600 -0.001 0.000 1.758 107 M HN -0.005 nan 8.290 nan 0.000 0.461 108 R N 0.139 120.638 120.500 -0.001 0.000 2.500 108 R HA 0.532 4.914 4.340 0.069 0.000 0.299 108 R C -0.456 175.870 176.300 0.043 0.000 1.038 108 R CA -0.463 55.654 56.100 0.028 0.000 0.903 108 R CB 2.013 32.322 30.300 0.014 0.000 1.177 108 R HN 0.935 nan 8.270 nan 0.000 0.455 109 G N 1.802 110.646 108.800 0.074 0.000 2.532 109 G HA2 0.639 4.641 3.960 0.069 0.000 0.291 109 G HA3 0.639 4.641 3.960 0.069 0.000 0.291 109 G C -0.563 174.347 174.900 0.016 0.000 1.349 109 G CA -0.403 44.740 45.100 0.073 0.000 1.038 109 G HN 0.473 nan 8.290 nan 0.000 0.518 110 M N 0.012 119.599 119.600 -0.023 0.000 2.342 110 M HA 0.313 4.834 4.480 0.069 0.000 0.260 110 M C -1.243 174.975 176.300 -0.136 0.000 1.023 110 M CA -0.407 54.850 55.300 -0.072 0.000 0.919 110 M CB 1.392 33.928 32.600 -0.107 0.000 2.048 110 M HN 0.505 nan 8.290 nan 0.000 0.479 111 S N 2.531 118.198 115.700 -0.054 0.000 2.632 111 S HA 0.962 5.473 4.470 0.069 0.000 0.267 111 S C -0.477 174.058 174.600 -0.109 0.000 1.276 111 S CA -0.242 57.954 58.200 -0.007 0.000 0.998 111 S CB 1.631 64.940 63.200 0.182 0.000 0.953 111 S HN 0.844 nan 8.310 nan 0.000 0.547 112 A N 1.306 123.995 122.820 -0.219 0.000 2.573 112 A HA 0.450 4.811 4.320 0.069 0.000 0.299 112 A C -1.670 175.540 177.584 -0.624 0.000 1.060 112 A CA -0.762 51.067 52.037 -0.347 0.000 0.736 112 A CB 0.980 19.587 19.000 -0.655 0.000 1.280 112 A HN 0.656 nan 8.150 nan 0.000 0.401 113 D N 3.018 123.181 120.400 -0.395 0.000 2.316 113 D HA 0.377 5.058 4.640 0.069 0.000 0.245 113 D C -1.579 174.736 176.300 0.026 0.000 1.171 113 D CA -1.615 52.132 54.000 -0.422 0.000 0.856 113 D CB 1.528 42.267 40.800 -0.103 0.000 1.090 113 D HN 0.105 nan 8.370 nan 0.000 0.476 114 P HA -0.177 nan 4.420 nan 0.000 0.216 114 P C 1.088 178.397 177.300 0.016 0.000 1.153 114 P CA 1.094 64.144 63.100 -0.085 0.000 0.858 114 P CB 0.252 31.781 31.700 -0.285 0.000 0.789 115 E N 0.211 120.425 120.200 0.024 0.000 2.187 115 E HA -0.251 4.141 4.350 0.069 0.000 0.199 115 E C 1.435 178.035 176.600 0.001 0.000 1.004 115 E CA 1.221 57.639 56.400 0.030 0.000 0.813 115 E CB -0.305 29.418 29.700 0.037 0.000 0.736 115 E HN 0.353 nan 8.360 nan 0.000 0.468 116 E N -1.292 118.896 120.200 -0.020 0.000 2.481 116 E HA -0.013 4.378 4.350 0.069 0.000 0.195 116 E C -0.490 175.871 176.600 -0.398 0.000 1.047 116 E CA 0.119 56.388 56.400 -0.218 0.000 0.867 116 E CB 0.302 29.799 29.700 -0.339 0.000 0.858 116 E HN 0.264 nan 8.360 nan 0.000 0.513 117 Y N -0.719 119.591 120.300 0.016 0.000 2.662 117 Y HA 0.257 4.849 4.550 0.069 0.000 0.335 117 Y C -0.071 175.821 175.900 -0.012 0.000 1.066 117 Y CA -1.466 56.671 58.100 0.061 0.000 1.116 117 Y CB 0.994 39.573 38.460 0.197 0.000 1.308 117 Y HN -0.271 nan 8.280 nan 0.000 0.502 118 D N 1.474 122.000 120.400 0.210 0.000 2.485 118 D HA 0.142 4.824 4.640 0.069 0.000 0.221 118 D C 0.563 176.811 176.300 -0.087 0.000 1.112 118 D CA -0.032 53.959 54.000 -0.014 0.000 0.911 118 D CB 0.767 41.556 40.800 -0.018 0.000 1.019 118 D HN 0.439 nan 8.370 nan 0.000 0.516 119 L N 2.801 123.818 121.223 -0.343 0.000 2.450 119 L HA -0.146 4.236 4.340 0.069 0.000 0.225 119 L C 2.221 178.679 176.870 -0.687 0.000 1.145 119 L CA 0.945 55.496 54.840 -0.481 0.000 0.801 119 L CB -1.438 40.215 42.059 -0.676 0.000 0.924 119 L HN 0.439 nan 8.230 nan 0.000 0.447 120 A N -0.414 121.900 122.820 -0.844 0.000 1.978 120 A HA -0.222 4.139 4.320 0.069 0.000 0.220 120 A C 1.841 179.370 177.584 -0.093 0.000 1.170 120 A CA 1.587 53.383 52.037 -0.401 0.000 0.636 120 A CB -0.412 18.511 19.000 -0.129 0.000 0.810 120 A HN 0.376 nan 8.150 nan 0.000 0.448 121 D N -0.359 119.966 120.400 -0.124 0.000 2.389 121 D HA -0.095 4.587 4.640 0.069 0.000 0.221 121 D C 1.473 177.701 176.300 -0.120 0.000 0.974 121 D CA 0.374 54.253 54.000 -0.202 0.000 0.923 121 D CB -0.076 40.412 40.800 -0.520 0.000 0.892 121 D HN 0.247 nan 8.370 nan 0.000 0.518 122 L N 1.262 122.553 121.223 0.113 0.000 2.043 122 L HA -0.197 4.184 4.340 0.069 0.000 0.212 122 L C 2.485 179.463 176.870 0.179 0.000 1.075 122 L CA 1.468 56.472 54.840 0.273 0.000 0.752 122 L CB -1.277 40.974 42.059 0.320 0.000 0.891 122 L HN 0.043 nan 8.230 nan 0.000 0.432 123 S N -3.076 112.710 115.700 0.143 0.000 2.584 123 S HA -0.082 4.430 4.470 0.069 0.000 0.240 123 S C 1.822 176.463 174.600 0.068 0.000 0.975 123 S CA 1.158 59.431 58.200 0.120 0.000 0.949 123 S CB -0.267 63.006 63.200 0.121 0.000 0.761 123 S HN 0.360 nan 8.310 nan 0.000 0.536 124 S N 0.341 116.053 115.700 0.022 0.000 2.502 124 S HA 0.384 4.895 4.470 0.069 0.000 0.215 124 S C 1.429 176.032 174.600 0.005 0.000 1.009 124 S CA -0.296 57.894 58.200 -0.017 0.000 0.908 124 S CB -0.257 62.883 63.200 -0.101 0.000 0.801 124 S HN 0.448 nan 8.310 nan 0.000 0.505 125 L N 1.856 123.109 121.223 0.051 0.000 2.137 125 L HA -0.124 4.257 4.340 0.069 0.000 0.213 125 L C -1.158 175.769 176.870 0.094 0.000 1.085 125 L CA 1.457 56.355 54.840 0.098 0.000 0.760 125 L CB -1.272 40.898 42.059 0.186 0.000 0.893 125 L HN 0.218 nan 8.230 nan 0.000 0.434 126 P HA -0.173 nan 4.420 nan 0.000 0.221 126 P C 1.044 178.387 177.300 0.072 0.000 1.145 126 P CA 1.111 64.271 63.100 0.100 0.000 0.795 126 P CB 0.032 31.792 31.700 0.100 0.000 0.775 127 E N -0.936 119.293 120.200 0.048 0.000 2.333 127 E HA -0.065 4.327 4.350 0.069 0.000 0.198 127 E C 0.568 177.185 176.600 0.029 0.000 1.007 127 E CA 0.379 56.797 56.400 0.031 0.000 0.845 127 E CB -0.180 29.526 29.700 0.010 0.000 0.766 127 E HN 0.323 nan 8.360 nan 0.000 0.507 128 I N 1.257 121.849 120.570 0.036 0.000 2.392 128 I HA 0.084 4.296 4.170 0.069 0.000 0.295 128 I C -0.083 176.058 176.117 0.040 0.000 0.985 128 I CA -0.834 60.483 61.300 0.029 0.000 1.221 128 I CB 1.321 39.335 38.000 0.024 0.000 1.366 128 I HN -0.170 nan 8.210 nan 0.000 0.467 129 D N 5.941 126.357 120.400 0.026 0.000 2.383 129 D HA 0.110 4.791 4.640 0.069 0.000 0.252 129 D C -0.099 176.203 176.300 0.004 0.000 1.166 129 D CA 0.389 54.410 54.000 0.034 0.000 0.879 129 D CB 0.414 41.229 40.800 0.025 0.000 1.164 129 D HN 0.408 nan 8.370 nan 0.000 0.462 130 K N 0.858 121.288 120.400 0.050 0.000 3.117 130 K HA -0.162 4.199 4.320 0.069 0.000 0.269 130 K C -0.155 176.301 176.600 -0.241 0.000 1.098 130 K CA 0.569 56.797 56.287 -0.098 0.000 0.785 130 K CB -2.030 30.296 32.500 -0.290 0.000 1.242 130 K HN 0.553 nan 8.250 nan 0.000 0.491 131 S N 0.359 116.056 115.700 -0.004 0.000 2.584 131 S HA 0.534 5.046 4.470 0.069 0.000 0.270 131 S C -0.086 174.560 174.600 0.078 0.000 1.346 131 S CA -0.682 57.533 58.200 0.026 0.000 1.018 131 S CB 1.801 65.056 63.200 0.092 0.000 0.899 131 S HN 0.414 nan 8.310 nan 0.000 0.542 132 L N 1.612 122.883 121.223 0.080 0.000 2.592 132 L HA 0.701 5.083 4.340 0.069 0.000 0.258 132 L C -1.433 175.513 176.870 0.126 0.000 0.926 132 L CA -0.635 54.288 54.840 0.138 0.000 0.885 132 L CB 1.852 43.974 42.059 0.104 0.000 1.380 132 L HN 0.783 nan 8.230 nan 0.000 0.415 133 V N 5.665 125.688 119.914 0.182 0.000 2.540 133 V HA 0.850 5.012 4.120 0.069 0.000 0.302 133 V C -1.278 174.880 176.094 0.105 0.000 1.035 133 V CA -0.275 62.073 62.300 0.080 0.000 0.873 133 V CB 2.029 33.924 31.823 0.120 0.000 0.992 133 V HN 0.654 nan 8.190 nan 0.000 0.428 134 V N 7.162 127.045 119.914 -0.053 0.000 2.628 134 V HA 0.603 4.764 4.120 0.069 0.000 0.306 134 V C -0.877 175.132 176.094 -0.142 0.000 1.045 134 V CA -0.509 61.831 62.300 0.067 0.000 0.905 134 V CB 1.852 33.728 31.823 0.089 0.000 0.997 134 V HN 0.777 nan 8.190 nan 0.000 0.436 135 F N 2.038 122.151 119.950 0.272 0.000 2.445 135 F HA 0.417 4.985 4.527 0.069 0.000 0.348 135 F C 0.128 176.050 175.800 0.203 0.000 1.125 135 F CA -0.462 57.687 58.000 0.248 0.000 0.983 135 F CB 1.409 40.565 39.000 0.260 0.000 1.198 135 F HN 0.337 nan 8.300 nan 0.000 0.436 136 C N 5.994 125.506 119.300 0.352 0.000 2.125 136 C HA 0.544 5.045 4.460 0.069 0.000 0.355 136 C C -0.057 175.115 174.990 0.303 0.000 1.047 136 C CA -0.945 58.264 59.018 0.319 0.000 1.501 136 C CB -1.447 26.487 27.740 0.323 0.000 1.783 136 C HN 0.519 nan 8.230 nan 0.000 0.455 137 M N 2.490 122.232 119.600 0.236 0.000 2.472 137 M HA 0.664 5.186 4.480 0.069 0.000 0.331 137 M C 0.079 176.434 176.300 0.092 0.000 1.170 137 M CA -0.423 54.991 55.300 0.190 0.000 1.009 137 M CB 1.186 33.903 32.600 0.196 0.000 1.672 137 M HN 0.527 nan 8.290 nan 0.000 0.453 138 A N 1.529 124.406 122.820 0.094 0.000 2.355 138 A HA 0.830 5.191 4.320 0.069 0.000 0.324 138 A C -0.296 177.310 177.584 0.037 0.000 1.117 138 A CA -0.517 51.550 52.037 0.050 0.000 0.785 138 A CB 0.858 19.903 19.000 0.076 0.000 1.254 138 A HN 0.756 nan 8.150 nan 0.000 0.453 139 T N 1.309 115.856 114.554 -0.011 0.000 2.907 139 T HA 0.611 5.003 4.350 0.069 0.000 0.284 139 T C -1.284 173.413 174.700 -0.004 0.000 1.004 139 T CA 0.223 62.310 62.100 -0.021 0.000 1.063 139 T CB 0.597 69.431 68.868 -0.057 0.000 0.992 139 T HN 0.531 nan 8.240 nan 0.000 0.483 140 Y N 0.159 120.376 120.300 -0.137 0.000 2.592 140 Y HA 0.505 5.096 4.550 0.068 0.000 0.334 140 Y C 0.379 176.220 175.900 -0.098 0.000 1.136 140 Y CA 0.299 58.313 58.100 -0.144 0.000 1.042 140 Y CB 1.392 39.781 38.460 -0.118 0.000 1.325 140 Y HN 1.060 nan 8.280 nan 0.000 0.457 141 G N 2.899 111.878 108.800 0.298 0.000 2.645 141 G HA2 -0.232 3.770 3.960 0.069 0.000 0.246 141 G HA3 -0.232 3.770 3.960 0.069 0.000 0.246 141 G C -0.224 174.763 174.900 0.145 0.000 1.322 141 G CA 0.020 45.267 45.100 0.246 0.000 0.898 141 G HN 1.109 nan 8.290 nan 0.000 0.573 142 E N 1.393 121.685 120.200 0.153 0.000 2.323 142 E HA 0.365 4.756 4.350 0.069 0.000 0.313 142 E C 1.283 177.986 176.600 0.172 0.000 1.236 142 E CA 0.617 57.155 56.400 0.230 0.000 1.333 142 E CB -0.735 29.088 29.700 0.205 0.000 1.138 142 E HN 2.531 nan 8.360 nan 0.000 0.492 143 G N 2.260 111.150 108.800 0.149 0.000 2.148 143 G HA2 -0.245 3.756 3.960 0.069 0.000 0.254 143 G HA3 -0.245 3.756 3.960 0.069 0.000 0.254 143 G C -0.165 174.648 174.900 -0.146 0.000 0.981 143 G CA 0.219 45.314 45.100 -0.009 0.000 0.670 143 G HN 0.585 nan 8.290 nan 0.000 0.528 144 D N 1.579 121.907 120.400 -0.121 0.000 2.362 144 D HA 0.350 5.032 4.640 0.069 0.000 0.242 144 D C -1.851 174.318 176.300 -0.218 0.000 1.132 144 D CA -0.666 53.188 54.000 -0.243 0.000 0.907 144 D CB 1.244 41.957 40.800 -0.146 0.000 1.195 144 D HN 0.237 nan 8.370 nan 0.000 0.429 145 P HA 0.019 nan 4.420 nan 0.000 0.274 145 P C 0.018 177.256 177.300 -0.103 0.000 1.237 145 P CA -0.323 62.657 63.100 -0.201 0.000 0.793 145 P CB 0.376 31.919 31.700 -0.260 0.000 0.977 146 T N -1.731 112.808 114.554 -0.025 0.000 2.932 146 T HA 0.013 4.404 4.350 0.069 0.000 0.312 146 T C 1.075 175.740 174.700 -0.058 0.000 1.071 146 T CA -0.187 61.879 62.100 -0.057 0.000 1.128 146 T CB -0.203 68.681 68.868 0.027 0.000 0.984 146 T HN 0.311 nan 8.240 nan 0.000 0.549 147 D N 1.833 122.166 120.400 -0.112 0.000 2.220 147 D HA -0.195 4.487 4.640 0.069 0.000 0.198 147 D C 1.953 178.264 176.300 0.017 0.000 1.001 147 D CA 1.721 55.689 54.000 -0.052 0.000 0.875 147 D CB -0.145 40.623 40.800 -0.053 0.000 0.921 147 D HN 0.855 nan 8.370 nan 0.000 0.454 148 N N 0.608 119.336 118.700 0.047 0.000 2.446 148 N HA -0.004 4.777 4.740 0.069 0.000 0.179 148 N C 1.422 176.990 175.510 0.097 0.000 1.054 148 N CA 0.693 53.789 53.050 0.076 0.000 0.905 148 N CB 0.020 38.567 38.487 0.100 0.000 0.973 148 N HN 0.058 nan 8.380 nan 0.000 0.448 149 A N 0.220 123.108 122.820 0.115 0.000 2.238 149 A HA 0.087 4.448 4.320 0.069 0.000 0.210 149 A C 2.103 179.816 177.584 0.215 0.000 1.179 149 A CA -0.038 52.117 52.037 0.197 0.000 0.827 149 A CB -0.102 19.027 19.000 0.215 0.000 0.856 149 A HN 0.064 nan 8.150 nan 0.000 0.488 150 Q N 0.786 120.660 119.800 0.123 0.000 2.045 150 Q HA -0.259 4.122 4.340 0.069 0.000 0.206 150 Q C 1.363 177.484 176.000 0.202 0.000 0.991 150 Q CA 2.303 58.178 55.803 0.119 0.000 0.851 150 Q CB -0.510 28.264 28.738 0.059 0.000 0.911 150 Q HN 0.694 nan 8.270 nan 0.000 0.418 151 D N -0.313 120.197 120.400 0.184 0.000 2.126 151 D HA -0.176 4.506 4.640 0.069 0.000 0.190 151 D C 1.595 178.085 176.300 0.317 0.000 1.001 151 D CA 1.178 55.300 54.000 0.204 0.000 0.841 151 D CB -0.361 40.529 40.800 0.151 0.000 0.949 151 D HN 0.153 nan 8.370 nan 0.000 0.446 152 F N 0.330 120.366 119.950 0.143 0.000 2.043 152 F HA -0.277 4.291 4.527 0.069 0.000 0.297 152 F C 2.194 178.149 175.800 0.259 0.000 1.121 152 F CA 1.445 59.552 58.000 0.179 0.000 1.199 152 F CB -1.296 37.742 39.000 0.062 0.000 0.968 152 F HN 0.103 nan 8.300 nan 0.000 0.478 153 Y N 1.268 121.564 120.300 -0.007 0.000 2.102 153 Y HA -0.327 4.265 4.550 0.070 0.000 0.280 153 Y C 2.173 178.029 175.900 -0.073 0.000 1.178 153 Y CA 2.494 60.505 58.100 -0.147 0.000 1.146 153 Y CB -0.942 37.465 38.460 -0.088 0.000 0.968 153 Y HN 0.233 nan 8.280 nan 0.000 0.504 154 D N -1.128 119.371 120.400 0.165 0.000 2.144 154 D HA -0.193 4.488 4.640 0.069 0.000 0.200 154 D C 1.595 177.915 176.300 0.032 0.000 0.978 154 D CA 1.526 55.567 54.000 0.069 0.000 0.833 154 D CB -0.527 40.363 40.800 0.150 0.000 0.961 154 D HN 0.600 nan 8.370 nan 0.000 0.470 155 W N 0.838 122.118 121.300 -0.033 0.000 2.380 155 W HA -0.140 4.561 4.660 0.069 0.000 0.317 155 W C 1.697 178.151 176.519 -0.108 0.000 1.196 155 W CA 0.628 57.960 57.345 -0.022 0.000 1.307 155 W CB -0.665 28.844 29.460 0.082 0.000 1.157 155 W HN -0.095 nan 8.180 nan 0.000 0.483 156 L N 1.351 122.359 121.223 -0.358 0.000 2.123 156 L HA -0.352 4.030 4.340 0.069 0.000 0.217 156 L C 2.489 179.001 176.870 -0.598 0.000 1.081 156 L CA 2.385 56.817 54.840 -0.680 0.000 0.772 156 L CB -1.462 40.243 42.059 -0.589 0.000 0.890 156 L HN 0.312 nan 8.230 nan 0.000 0.437 157 Q N -1.470 118.072 119.800 -0.430 0.000 1.937 157 Q HA -0.180 4.201 4.340 0.069 0.000 0.198 157 Q C 1.970 177.780 176.000 -0.316 0.000 0.977 157 Q CA 0.987 56.593 55.803 -0.327 0.000 0.836 157 Q CB -0.640 27.923 28.738 -0.291 0.000 0.899 157 Q HN 0.447 nan 8.270 nan 0.000 0.437 158 E N 1.579 121.621 120.200 -0.263 0.000 2.169 158 E HA -0.150 4.241 4.350 0.069 0.000 0.202 158 E C 0.048 176.489 176.600 -0.265 0.000 1.016 158 E CA 1.073 57.353 56.400 -0.201 0.000 0.817 158 E CB -0.351 29.283 29.700 -0.110 0.000 0.736 158 E HN 0.200 nan 8.360 nan 0.000 0.462 159 T N 0.971 115.230 114.554 -0.491 0.000 2.906 159 T HA -0.052 4.339 4.350 0.069 0.000 0.329 159 T C 0.528 175.028 174.700 -0.335 0.000 1.091 159 T CA 1.090 62.853 62.100 -0.562 0.000 1.127 159 T CB 0.390 68.508 68.868 -1.250 0.000 1.035 159 T HN 0.231 nan 8.240 nan 0.000 0.547 160 D N -0.112 120.162 120.400 -0.209 0.000 2.453 160 D HA 0.088 4.769 4.640 0.069 0.000 0.256 160 D C 0.244 176.499 176.300 -0.075 0.000 1.152 160 D CA -0.114 53.810 54.000 -0.126 0.000 0.818 160 D CB 0.297 41.055 40.800 -0.071 0.000 1.259 160 D HN 0.335 nan 8.370 nan 0.000 0.531 161 V N 1.765 121.656 119.914 -0.038 0.000 2.902 161 V HA -0.064 4.098 4.120 0.069 0.000 0.297 161 V C 0.395 176.513 176.094 0.039 0.000 1.230 161 V CA 0.769 63.107 62.300 0.064 0.000 1.344 161 V CB 0.409 32.376 31.823 0.240 0.000 0.889 161 V HN 0.260 nan 8.190 nan 0.000 0.515 162 D N 3.586 124.025 120.400 0.064 0.000 2.329 162 D HA 0.347 5.029 4.640 0.069 0.000 0.232 162 D C 0.393 176.746 176.300 0.088 0.000 1.088 162 D CA -0.324 53.708 54.000 0.054 0.000 0.835 162 D CB 0.884 41.710 40.800 0.044 0.000 1.078 162 D HN 0.435 nan 8.370 nan 0.000 0.495 163 L N 3.196 124.473 121.223 0.090 0.000 2.728 163 L HA 0.176 4.557 4.340 0.069 0.000 0.235 163 L C 0.563 177.506 176.870 0.122 0.000 1.197 163 L CA -0.228 54.687 54.840 0.125 0.000 0.992 163 L CB -0.419 41.722 42.059 0.136 0.000 1.263 163 L HN 0.387 nan 8.230 nan 0.000 0.484 164 T N 0.839 115.451 114.554 0.097 0.000 2.923 164 T HA 0.131 4.522 4.350 0.069 0.000 0.304 164 T C 1.314 176.082 174.700 0.114 0.000 1.044 164 T CA 1.344 63.502 62.100 0.096 0.000 1.141 164 T CB 0.752 69.664 68.868 0.074 0.000 1.023 164 T HN 0.699 nan 8.240 nan 0.000 0.533 165 G N 1.983 110.859 108.800 0.125 0.000 2.176 165 G HA2 -0.240 3.761 3.960 0.069 0.000 0.253 165 G HA3 -0.240 3.761 3.960 0.069 0.000 0.253 165 G C 0.236 175.239 174.900 0.172 0.000 0.979 165 G CA -0.024 45.160 45.100 0.140 0.000 0.641 165 G HN 0.794 nan 8.290 nan 0.000 0.530 166 V N 2.489 122.518 119.914 0.191 0.000 2.432 166 V HA 0.451 4.612 4.120 0.069 0.000 0.271 166 V C 0.161 176.427 176.094 0.287 0.000 1.046 166 V CA -0.497 61.948 62.300 0.241 0.000 0.945 166 V CB 1.517 33.495 31.823 0.258 0.000 0.992 166 V HN 0.210 nan 8.190 nan 0.000 0.471 167 K N 6.213 126.773 120.400 0.267 0.000 2.211 167 K HA 0.581 4.943 4.320 0.069 0.000 0.275 167 K C -0.614 176.174 176.600 0.314 0.000 1.024 167 K CA -0.146 56.258 56.287 0.194 0.000 0.887 167 K CB 1.617 34.200 32.500 0.138 0.000 1.084 167 K HN 0.581 nan 8.250 nan 0.000 0.463 168 F N -0.674 119.366 119.950 0.149 0.000 2.692 168 F HA 0.854 5.422 4.527 0.069 0.000 0.320 168 F C -1.458 174.501 175.800 0.264 0.000 1.123 168 F CA -1.364 56.779 58.000 0.239 0.000 0.961 168 F CB 1.499 40.688 39.000 0.314 0.000 1.383 168 F HN 0.462 nan 8.300 nan 0.000 0.483 169 A N 0.971 124.047 122.820 0.427 0.000 2.594 169 A HA 0.716 5.078 4.320 0.069 0.000 0.296 169 A C -2.316 175.638 177.584 0.615 0.000 1.061 169 A CA -0.719 51.575 52.037 0.427 0.000 0.689 169 A CB 1.516 20.878 19.000 0.604 0.000 1.280 169 A HN 1.087 nan 8.150 nan 0.000 0.406 170 V N 1.729 121.973 119.914 0.550 0.000 2.577 170 V HA 0.569 4.730 4.120 0.069 0.000 0.303 170 V C -1.286 174.892 176.094 0.139 0.000 1.042 170 V CA -0.307 62.233 62.300 0.399 0.000 0.872 170 V CB 1.617 33.652 31.823 0.354 0.000 0.998 170 V HN 0.896 nan 8.190 nan 0.000 0.423 171 F N 4.015 123.803 119.950 -0.270 0.000 2.375 171 F HA 0.812 5.380 4.527 0.069 0.000 0.361 171 F C 0.566 176.209 175.800 -0.262 0.000 1.117 171 F CA -0.525 57.069 58.000 -0.677 0.000 1.037 171 F CB 1.135 39.399 39.000 -1.226 0.000 1.192 171 F HN 0.562 nan 8.300 nan 0.000 0.452 172 G N 5.879 114.207 108.800 -0.787 0.000 2.389 172 G HA2 0.559 4.561 3.960 0.069 0.000 0.317 172 G HA3 0.559 4.561 3.960 0.069 0.000 0.317 172 G C -1.741 172.744 174.900 -0.691 0.000 1.137 172 G CA -0.664 44.114 45.100 -0.536 0.000 0.870 172 G HN 0.520 nan 8.290 nan 0.000 0.496 173 L N 1.821 122.869 121.223 -0.293 0.000 2.298 173 L HA 0.730 5.112 4.340 0.069 0.000 0.284 173 L C 0.790 177.614 176.870 -0.076 0.000 1.013 173 L CA 0.171 54.940 54.840 -0.119 0.000 0.824 173 L CB 1.409 43.511 42.059 0.072 0.000 1.221 173 L HN 0.789 nan 8.230 nan 0.000 0.418 174 G N 1.792 110.589 108.800 -0.005 0.000 2.976 174 G HA2 0.450 4.452 3.960 0.069 0.000 0.276 174 G HA3 0.450 4.452 3.960 0.069 0.000 0.276 174 G C -1.465 173.583 174.900 0.247 0.000 1.207 174 G CA -0.340 44.813 45.100 0.088 0.000 0.803 174 G HN 0.382 nan 8.290 nan 0.000 0.572 175 N N -0.552 118.385 118.700 0.395 0.000 2.777 175 N HA 0.109 4.890 4.740 0.069 0.000 0.260 175 N C 0.384 175.977 175.510 0.139 0.000 1.113 175 N CA -0.368 52.837 53.050 0.259 0.000 0.996 175 N CB 2.065 40.706 38.487 0.256 0.000 1.584 175 N HN 0.467 nan 8.380 nan 0.000 0.573 176 K N 0.441 120.644 120.400 -0.329 0.000 2.211 176 K HA -0.072 4.290 4.320 0.069 0.000 0.204 176 K C 1.278 177.775 176.600 -0.172 0.000 1.047 176 K CA 1.561 57.500 56.287 -0.581 0.000 0.935 176 K CB 0.074 32.211 32.500 -0.606 0.000 0.728 176 K HN 0.490 nan 8.250 nan 0.000 0.452 177 T N 0.437 114.960 114.554 -0.052 0.000 2.918 177 T HA -0.141 4.251 4.350 0.069 0.000 0.271 177 T C 0.222 174.802 174.700 -0.199 0.000 1.104 177 T CA 1.209 63.239 62.100 -0.116 0.000 1.114 177 T CB -0.199 68.579 68.868 -0.149 0.000 0.855 177 T HN 0.104 nan 8.240 nan 0.000 0.518 178 Y N 0.631 120.893 120.300 -0.064 0.000 2.458 178 Y HA 0.336 4.927 4.550 0.068 0.000 0.322 178 Y C 1.578 177.440 175.900 -0.063 0.000 1.259 178 Y CA -1.487 56.584 58.100 -0.048 0.000 1.302 178 Y CB 0.687 39.140 38.460 -0.011 0.000 1.314 178 Y HN -0.212 nan 8.280 nan 0.000 0.509 179 E N 0.100 120.315 120.200 0.025 0.000 2.051 179 E HA -0.148 4.244 4.350 0.069 0.000 0.192 179 E C -0.106 176.369 176.600 -0.208 0.000 0.991 179 E CA 1.365 57.647 56.400 -0.196 0.000 0.799 179 E CB -0.118 29.320 29.700 -0.437 0.000 0.748 179 E HN 0.517 nan 8.360 nan 0.000 0.449 180 H N -0.091 119.069 119.070 0.150 0.000 2.702 180 H HA 0.103 4.700 4.556 0.069 0.000 0.252 180 H C -0.498 174.936 175.328 0.177 0.000 1.493 180 H CA -0.706 55.416 56.048 0.123 0.000 1.273 180 H CB -0.847 28.949 29.762 0.057 0.000 1.537 180 H HN -0.041 nan 8.280 nan 0.000 0.547 181 F N 2.652 122.670 119.950 0.113 0.000 2.541 181 F HA 0.002 4.570 4.527 0.069 0.000 0.378 181 F C 0.900 176.726 175.800 0.042 0.000 1.068 181 F CA -0.437 57.603 58.000 0.067 0.000 1.199 181 F CB -0.218 38.814 39.000 0.054 0.000 1.091 181 F HN 0.527 nan 8.300 nan 0.000 0.555 182 N N 3.119 121.659 118.700 -0.267 0.000 2.701 182 N HA -0.295 4.486 4.740 0.069 0.000 0.250 182 N C 1.168 176.570 175.510 -0.180 0.000 1.046 182 N CA 0.475 53.301 53.050 -0.373 0.000 0.733 182 N CB -0.472 37.566 38.487 -0.748 0.000 0.973 182 N HN 0.731 nan 8.380 nan 0.000 0.541 183 A N -0.325 122.464 122.820 -0.051 0.000 1.917 183 A HA -0.261 4.101 4.320 0.069 0.000 0.219 183 A C 2.133 179.720 177.584 0.006 0.000 1.182 183 A CA 1.989 54.018 52.037 -0.013 0.000 0.633 183 A CB -0.342 18.641 19.000 -0.029 0.000 0.819 183 A HN 0.457 nan 8.150 nan 0.000 0.448 184 M N 0.209 119.801 119.600 -0.013 0.000 2.067 184 M HA 0.003 4.525 4.480 0.069 0.000 0.260 184 M C 2.042 178.386 176.300 0.074 0.000 1.069 184 M CA 1.964 57.293 55.300 0.049 0.000 1.117 184 M CB -1.319 31.288 32.600 0.012 0.000 1.334 184 M HN 0.308 nan 8.290 nan 0.000 0.407 185 G N -0.032 108.760 108.800 -0.013 0.000 2.459 185 G HA2 -0.264 3.738 3.960 0.069 0.000 0.217 185 G HA3 -0.264 3.738 3.960 0.069 0.000 0.217 185 G C 1.619 176.504 174.900 -0.025 0.000 1.183 185 G CA 1.191 46.269 45.100 -0.036 0.000 0.776 185 G HN 0.548 nan 8.290 nan 0.000 0.552 186 K N -0.841 119.528 120.400 -0.051 0.000 2.152 186 K HA -0.134 4.227 4.320 0.069 0.000 0.206 186 K C 2.187 178.799 176.600 0.020 0.000 1.048 186 K CA 1.281 57.553 56.287 -0.026 0.000 0.933 186 K CB -0.261 32.217 32.500 -0.037 0.000 0.721 186 K HN 0.470 nan 8.250 nan 0.000 0.447 187 Y N 1.057 121.314 120.300 -0.072 0.000 2.243 187 Y HA -0.145 4.446 4.550 0.069 0.000 0.293 187 Y C 1.964 177.770 175.900 -0.158 0.000 1.124 187 Y CA 0.716 58.758 58.100 -0.096 0.000 1.159 187 Y CB -0.129 38.300 38.460 -0.052 0.000 1.008 187 Y HN -0.267 nan 8.280 nan 0.000 0.527 188 V N 0.742 120.545 119.914 -0.184 0.000 2.295 188 V HA -0.324 3.838 4.120 0.069 0.000 0.246 188 V C 2.074 177.964 176.094 -0.340 0.000 1.049 188 V CA 2.405 64.492 62.300 -0.356 0.000 1.024 188 V CB -0.836 30.872 31.823 -0.192 0.000 0.648 188 V HN 0.505 nan 8.190 nan 0.000 0.447 189 D N -0.953 119.382 120.400 -0.108 0.000 2.144 189 D HA -0.255 4.426 4.640 0.069 0.000 0.199 189 D C 2.214 178.496 176.300 -0.031 0.000 0.984 189 D CA 1.561 55.609 54.000 0.079 0.000 0.834 189 D CB -0.119 40.795 40.800 0.190 0.000 0.955 189 D HN 0.455 nan 8.370 nan 0.000 0.465 190 Q N -0.346 119.368 119.800 -0.143 0.000 2.083 190 Q HA -0.164 4.217 4.340 0.069 0.000 0.198 190 Q C 2.229 178.051 176.000 -0.297 0.000 0.969 190 Q CA 0.868 56.574 55.803 -0.162 0.000 0.838 190 Q CB -0.028 28.625 28.738 -0.142 0.000 0.900 190 Q HN 0.078 nan 8.270 nan 0.000 0.436 191 R N 0.639 120.812 120.500 -0.545 0.000 2.075 191 R HA -0.016 4.365 4.340 0.069 0.000 0.232 191 R C 2.264 178.279 176.300 -0.474 0.000 1.126 191 R CA 1.216 56.943 56.100 -0.623 0.000 0.963 191 R CB -0.731 28.932 30.300 -1.061 0.000 0.858 191 R HN 0.325 nan 8.270 nan 0.000 0.435 192 L N 0.291 121.192 121.223 -0.535 0.000 2.131 192 L HA -0.130 4.251 4.340 0.069 0.000 0.210 192 L C 2.445 179.078 176.870 -0.395 0.000 1.092 192 L CA 1.828 56.338 54.840 -0.549 0.000 0.759 192 L CB -0.484 40.988 42.059 -0.979 0.000 0.903 192 L HN 0.424 nan 8.230 nan 0.000 0.435 193 E N 0.004 120.042 120.200 -0.270 0.000 2.106 193 E HA -0.238 4.154 4.350 0.069 0.000 0.192 193 E C 2.136 178.714 176.600 -0.037 0.000 0.984 193 E CA 0.937 57.346 56.400 0.014 0.000 0.806 193 E CB 0.096 29.878 29.700 0.138 0.000 0.750 193 E HN 0.523 nan 8.360 nan 0.000 0.458 194 Q N 0.130 119.863 119.800 -0.113 0.000 2.124 194 Q HA -0.123 4.258 4.340 0.069 0.000 0.202 194 Q C 2.258 178.196 176.000 -0.104 0.000 0.977 194 Q CA 1.081 56.819 55.803 -0.108 0.000 0.850 194 Q CB -0.045 28.600 28.738 -0.154 0.000 0.901 194 Q HN 0.368 nan 8.270 nan 0.000 0.429 195 L N -0.793 120.347 121.223 -0.138 0.000 2.551 195 L HA -0.012 4.370 4.340 0.069 0.000 0.228 195 L C 1.248 178.099 176.870 -0.032 0.000 1.153 195 L CA 0.715 55.490 54.840 -0.107 0.000 0.851 195 L CB -0.054 41.919 42.059 -0.143 0.000 0.959 195 L HN 0.508 nan 8.230 nan 0.000 0.451 196 G N -1.051 107.746 108.800 -0.006 0.000 2.211 196 G HA2 -0.184 3.817 3.960 0.069 0.000 0.201 196 G HA3 -0.184 3.817 3.960 0.069 0.000 0.201 196 G C 0.335 175.292 174.900 0.095 0.000 0.997 196 G CA -0.186 44.939 45.100 0.042 0.000 0.652 196 G HN 0.431 nan 8.290 nan 0.000 0.500 197 A N 0.076 122.964 122.820 0.113 0.000 2.371 197 A HA 0.720 5.082 4.320 0.069 0.000 0.257 197 A C 0.403 178.212 177.584 0.375 0.000 1.089 197 A CA 0.553 52.732 52.037 0.236 0.000 0.794 197 A CB 0.651 19.788 19.000 0.227 0.000 1.029 197 A HN 0.597 nan 8.150 nan 0.000 0.488 198 Q N 0.094 120.092 119.800 0.331 0.000 2.222 198 Q HA 0.466 4.848 4.340 0.069 0.000 0.252 198 Q C -0.149 175.834 176.000 -0.029 0.000 0.926 198 Q CA -0.638 55.269 55.803 0.173 0.000 0.899 198 Q CB 0.915 29.680 28.738 0.045 0.000 1.250 198 Q HN 0.730 nan 8.270 nan 0.000 0.441 199 R N 2.827 123.116 120.500 -0.353 0.000 2.346 199 R HA 0.237 4.618 4.340 0.069 0.000 0.311 199 R C 0.185 176.179 176.300 -0.510 0.000 0.983 199 R CA -0.202 55.344 56.100 -0.923 0.000 0.880 199 R CB 0.512 30.372 30.300 -0.734 0.000 1.100 199 R HN 0.743 nan 8.270 nan 0.000 0.453 200 I N 1.493 121.784 120.570 -0.465 0.000 4.018 200 I HA 0.436 4.647 4.170 0.069 0.000 0.337 200 I C -0.612 175.444 176.117 -0.101 0.000 1.327 200 I CA -0.085 60.977 61.300 -0.397 0.000 1.100 200 I CB 0.222 37.906 38.000 -0.526 0.000 1.025 200 I HN 0.350 nan 8.210 nan 0.000 0.396 201 F N 2.266 122.069 119.950 -0.245 0.000 2.669 201 F HA 0.340 4.909 4.527 0.069 0.000 0.315 201 F C -0.599 175.208 175.800 0.012 0.000 1.109 201 F CA -1.518 56.414 58.000 -0.114 0.000 1.028 201 F CB 1.371 40.326 39.000 -0.074 0.000 1.287 201 F HN 0.285 nan 8.300 nan 0.000 0.452 202 E N 4.799 124.564 120.200 -0.726 0.000 2.502 202 E HA 0.155 4.546 4.350 0.069 0.000 0.261 202 E C -0.488 176.050 176.600 -0.103 0.000 0.974 202 E CA -0.518 55.624 56.400 -0.429 0.000 0.936 202 E CB 0.848 30.238 29.700 -0.517 0.000 0.926 202 E HN 0.604 nan 8.360 nan 0.000 0.459 203 L N 3.808 125.049 121.223 0.031 0.000 2.601 203 L HA 0.113 4.494 4.340 0.069 0.000 0.277 203 L C 0.332 177.269 176.870 0.112 0.000 1.219 203 L CA 1.112 56.020 54.840 0.113 0.000 0.915 203 L CB 0.266 42.352 42.059 0.045 0.000 1.160 203 L HN 0.671 nan 8.230 nan 0.000 0.494 204 G N 6.188 115.016 108.800 0.047 0.000 2.356 204 G HA2 0.522 4.523 3.960 0.069 0.000 0.298 204 G HA3 0.522 4.523 3.960 0.069 0.000 0.298 204 G C -0.776 173.883 174.900 -0.402 0.000 1.145 204 G CA -0.660 44.350 45.100 -0.149 0.000 0.850 204 G HN 0.665 nan 8.290 nan 0.000 0.487 205 L N 3.223 124.301 121.223 -0.241 0.000 2.445 205 L HA 0.348 4.729 4.340 0.069 0.000 0.252 205 L C 1.014 177.814 176.870 -0.116 0.000 1.105 205 L CA -0.781 53.892 54.840 -0.279 0.000 0.943 205 L CB 1.186 43.173 42.059 -0.120 0.000 1.277 205 L HN 0.636 nan 8.230 nan 0.000 0.465 206 G N 0.053 108.646 108.800 -0.344 0.000 2.442 206 G HA2 0.246 4.247 3.960 0.069 0.000 0.249 206 G HA3 0.246 4.247 3.960 0.069 0.000 0.249 206 G C -0.949 174.062 174.900 0.185 0.000 1.263 206 G CA -0.049 45.070 45.100 0.031 0.000 0.846 206 G HN 0.479 nan 8.290 nan 0.000 0.555 207 D N 0.374 120.929 120.400 0.258 0.000 2.471 207 D HA 0.213 4.894 4.640 0.069 0.000 0.245 207 D C 0.700 177.119 176.300 0.198 0.000 1.116 207 D CA -0.592 53.558 54.000 0.250 0.000 0.853 207 D CB 1.730 42.638 40.800 0.179 0.000 1.123 207 D HN 0.265 nan 8.370 nan 0.000 0.540 208 D N 2.245 122.756 120.400 0.184 0.000 2.178 208 D HA -0.190 4.491 4.640 0.069 0.000 0.201 208 D C 1.357 177.727 176.300 0.117 0.000 0.980 208 D CA 0.923 55.014 54.000 0.152 0.000 0.842 208 D CB 0.266 41.139 40.800 0.123 0.000 0.948 208 D HN 0.546 nan 8.370 nan 0.000 0.472 209 D N -0.715 119.743 120.400 0.097 0.000 2.144 209 D HA -0.108 4.574 4.640 0.069 0.000 0.199 209 D C 1.610 177.942 176.300 0.053 0.000 0.984 209 D CA 1.376 55.410 54.000 0.056 0.000 0.834 209 D CB -0.057 40.753 40.800 0.016 0.000 0.955 209 D HN 0.321 nan 8.370 nan 0.000 0.465 210 G N -0.036 108.808 108.800 0.073 0.000 2.568 210 G HA2 -0.018 3.983 3.960 0.069 0.000 0.212 210 G HA3 -0.018 3.983 3.960 0.069 0.000 0.212 210 G C 0.471 175.438 174.900 0.111 0.000 1.821 210 G CA -0.145 45.003 45.100 0.081 0.000 0.904 210 G HN 0.354 nan 8.290 nan 0.000 0.566 211 N N -0.065 118.725 118.700 0.150 0.000 2.707 211 N HA 0.171 4.953 4.740 0.069 0.000 0.249 211 N C 0.839 176.494 175.510 0.242 0.000 1.299 211 N CA -0.520 52.643 53.050 0.189 0.000 0.769 211 N CB 1.052 39.656 38.487 0.194 0.000 1.236 211 N HN 0.129 nan 8.380 nan 0.000 0.524 212 L N 2.519 123.900 121.223 0.262 0.000 2.051 212 L HA -0.171 4.210 4.340 0.069 0.000 0.214 212 L C 2.252 179.370 176.870 0.414 0.000 1.076 212 L CA 2.083 57.132 54.840 0.347 0.000 0.758 212 L CB -0.467 41.804 42.059 0.354 0.000 0.890 212 L HN 0.621 nan 8.230 nan 0.000 0.433 213 E N -0.452 119.986 120.200 0.397 0.000 2.085 213 E HA -0.234 4.157 4.350 0.069 0.000 0.194 213 E C 2.016 178.797 176.600 0.302 0.000 0.994 213 E CA 1.659 58.301 56.400 0.403 0.000 0.801 213 E CB -0.164 29.778 29.700 0.402 0.000 0.743 213 E HN 0.528 nan 8.360 nan 0.000 0.453 214 E N 0.572 120.937 120.200 0.275 0.000 2.072 214 E HA -0.138 4.253 4.350 0.069 0.000 0.190 214 E C 1.799 178.520 176.600 0.202 0.000 0.982 214 E CA 1.085 57.611 56.400 0.210 0.000 0.803 214 E CB -0.370 29.458 29.700 0.212 0.000 0.755 214 E HN 0.408 nan 8.360 nan 0.000 0.453 215 D N 0.247 120.804 120.400 0.261 0.000 2.123 215 D HA -0.163 4.518 4.640 0.069 0.000 0.196 215 D C 1.758 178.245 176.300 0.313 0.000 0.992 215 D CA 0.682 54.867 54.000 0.308 0.000 0.833 215 D CB -0.346 40.674 40.800 0.367 0.000 0.954 215 D HN 0.131 nan 8.370 nan 0.000 0.455 216 F N 1.329 121.273 119.950 -0.011 0.000 2.234 216 F HA -0.051 4.518 4.527 0.070 0.000 0.299 216 F C 2.142 177.788 175.800 -0.257 0.000 1.087 216 F CA 0.749 58.406 58.000 -0.571 0.000 1.340 216 F CB -0.210 38.071 39.000 -1.200 0.000 1.031 216 F HN -0.131 nan 8.300 nan 0.000 0.500 217 I N -0.096 120.365 120.570 -0.182 0.000 2.286 217 I HA -0.264 3.947 4.170 0.069 0.000 0.245 217 I C 2.496 178.553 176.117 -0.100 0.000 1.104 217 I CA 1.723 62.912 61.300 -0.186 0.000 1.397 217 I CB -0.851 37.128 38.000 -0.035 0.000 1.072 217 I HN 0.269 nan 8.210 nan 0.000 0.417 218 T N -2.379 112.188 114.554 0.022 0.000 2.951 218 T HA -0.224 4.167 4.350 0.069 0.000 0.268 218 T C 1.555 176.322 174.700 0.112 0.000 1.073 218 T CA 0.489 62.634 62.100 0.076 0.000 1.134 218 T CB -0.503 68.443 68.868 0.130 0.000 0.884 218 T HN 0.552 nan 8.240 nan 0.000 0.479 219 W N 1.857 123.110 121.300 -0.079 0.000 2.441 219 W HA 0.234 4.935 4.660 0.070 0.000 0.302 219 W C 2.705 179.132 176.519 -0.154 0.000 1.191 219 W CA 0.589 57.933 57.345 -0.003 0.000 1.327 219 W CB -0.094 29.355 29.460 -0.019 0.000 1.128 219 W HN -0.010 nan 8.180 nan 0.000 0.522 220 R N 0.722 121.077 120.500 -0.241 0.000 2.096 220 R HA -0.179 4.203 4.340 0.069 0.000 0.235 220 R C 2.054 178.239 176.300 -0.192 0.000 1.127 220 R CA 1.619 57.493 56.100 -0.376 0.000 0.968 220 R CB -0.626 29.349 30.300 -0.540 0.000 0.861 220 R HN 0.223 nan 8.270 nan 0.000 0.440 221 E N 0.443 120.564 120.200 -0.131 0.000 2.150 221 E HA -0.189 4.202 4.350 0.069 0.000 0.193 221 E C 1.664 178.194 176.600 -0.117 0.000 0.985 221 E CA 1.213 57.578 56.400 -0.059 0.000 0.814 221 E CB 0.185 29.871 29.700 -0.022 0.000 0.752 221 E HN 0.516 nan 8.360 nan 0.000 0.466 222 Q N -1.020 118.663 119.800 -0.195 0.000 2.297 222 Q HA -0.028 4.354 4.340 0.069 0.000 0.203 222 Q C 1.911 177.426 176.000 -0.809 0.000 0.931 222 Q CA 0.212 55.859 55.803 -0.259 0.000 0.885 222 Q CB -0.084 28.692 28.738 0.063 0.000 0.991 222 Q HN 0.170 nan 8.270 nan 0.000 0.498 223 F N 0.665 119.771 119.950 -1.407 0.000 2.000 223 F HA -0.285 4.284 4.527 0.069 0.000 0.296 223 F C 1.564 176.629 175.800 -1.225 0.000 1.159 223 F CA 1.876 58.685 58.000 -1.984 0.000 1.183 223 F CB -0.682 37.156 39.000 -1.937 0.000 0.959 223 F HN 0.070 nan 8.300 nan 0.000 0.490 224 W N 0.546 121.328 121.300 -0.864 0.000 2.305 224 W HA -0.210 4.492 4.660 0.069 0.000 0.308 224 W C -0.353 175.694 176.519 -0.787 0.000 1.226 224 W CA 1.390 58.165 57.345 -0.949 0.000 1.253 224 W CB -2.134 26.730 29.460 -0.993 0.000 1.146 224 W HN 0.145 nan 8.180 nan 0.000 0.507 225 P HA -0.182 nan 4.420 nan 0.000 0.217 225 P C 1.465 178.610 177.300 -0.259 0.000 1.150 225 P CA 2.759 65.722 63.100 -0.228 0.000 0.832 225 P CB -0.335 31.271 31.700 -0.157 0.000 0.787 226 A N -0.703 121.866 122.820 -0.418 0.000 1.898 226 A HA -0.134 4.227 4.320 0.069 0.000 0.216 226 A C 2.298 179.701 177.584 -0.303 0.000 1.181 226 A CA 1.616 53.447 52.037 -0.343 0.000 0.620 226 A CB -1.665 17.063 19.000 -0.454 0.000 0.819 226 A HN -0.006 nan 8.150 nan 0.000 0.442 227 V N -0.624 118.998 119.914 -0.488 0.000 2.233 227 V HA -0.354 3.807 4.120 0.069 0.000 0.247 227 V C 2.679 178.827 176.094 0.090 0.000 1.050 227 V CA 2.152 64.319 62.300 -0.222 0.000 1.010 227 V CB -1.260 30.290 31.823 -0.457 0.000 0.637 227 V HN 0.702 nan 8.190 nan 0.000 0.444 228 C N -0.518 118.766 119.300 -0.027 0.000 2.391 228 C HA -0.180 4.322 4.460 0.069 0.000 0.276 228 C C 2.793 177.808 174.990 0.043 0.000 1.217 228 C CA 1.046 60.090 59.018 0.044 0.000 1.766 228 C CB -1.024 26.709 27.740 -0.011 0.000 2.046 228 C HN 0.585 nan 8.230 nan 0.000 0.475 229 E N -0.180 120.007 120.200 -0.022 0.000 2.015 229 E HA -0.143 4.248 4.350 0.069 0.000 0.191 229 E C 1.855 178.410 176.600 -0.076 0.000 0.991 229 E CA 1.063 57.438 56.400 -0.041 0.000 0.802 229 E CB -0.726 28.942 29.700 -0.053 0.000 0.759 229 E HN 0.673 nan 8.360 nan 0.000 0.447 230 F N 0.375 120.174 119.950 -0.251 0.000 2.115 230 F HA -0.202 4.366 4.527 0.069 0.000 0.300 230 F C 0.741 176.234 175.800 -0.511 0.000 1.092 230 F CA 1.119 58.855 58.000 -0.439 0.000 1.245 230 F CB -0.017 38.576 39.000 -0.679 0.000 0.995 230 F HN -0.138 nan 8.300 nan 0.000 0.481 231 F N -1.012 118.951 119.950 0.021 0.000 2.410 231 F HA 0.438 5.007 4.527 0.069 0.000 0.324 231 F C 1.684 177.449 175.800 -0.058 0.000 1.093 231 F CA -0.336 57.649 58.000 -0.026 0.000 1.028 231 F CB -0.110 38.931 39.000 0.069 0.000 1.309 231 F HN -0.230 nan 8.300 nan 0.000 0.499 232 G N 0.060 108.960 108.800 0.166 0.000 2.422 232 G HA2 -0.004 3.997 3.960 0.069 0.000 0.218 232 G HA3 -0.004 3.997 3.960 0.069 0.000 0.218 232 G C 0.518 175.459 174.900 0.068 0.000 1.140 232 G CA 0.684 45.823 45.100 0.066 0.000 0.775 232 G HN 0.561 nan 8.290 nan 0.000 0.545 233 V N -0.669 119.307 119.914 0.104 0.000 3.388 233 V HA 0.406 4.567 4.120 0.069 0.000 0.301 233 V C -0.052 176.086 176.094 0.073 0.000 1.160 233 V CA 0.263 62.608 62.300 0.076 0.000 1.277 233 V CB 1.115 32.990 31.823 0.085 0.000 1.018 233 V HN 0.620 nan 8.190 nan 0.000 0.504 234 E N 1.695 121.936 120.200 0.069 0.000 2.439 234 E HA 0.557 4.949 4.350 0.069 0.000 0.279 234 E C -0.604 176.060 176.600 0.107 0.000 1.077 234 E CA -0.594 55.852 56.400 0.078 0.000 0.849 234 E CB 1.257 30.976 29.700 0.033 0.000 1.408 234 E HN 1.690 nan 8.360 nan 0.000 0.457 235 A N 1.066 123.955 122.820 0.116 0.000 2.540 235 A HA 0.341 4.702 4.320 0.069 0.000 0.264 235 A C 0.017 177.557 177.584 -0.075 0.000 1.080 235 A CA 0.550 52.602 52.037 0.026 0.000 0.776 235 A CB -0.897 18.112 19.000 0.015 0.000 1.011 235 A HN 0.403 nan 8.150 nan 0.000 0.514 236 T N 2.975 117.436 114.554 -0.155 0.000 2.733 236 T HA 0.561 4.953 4.350 0.069 0.000 0.294 236 T C 0.964 175.572 174.700 -0.153 0.000 0.956 236 T CA 0.962 62.977 62.100 -0.142 0.000 0.987 236 T CB 0.566 69.339 68.868 -0.159 0.000 0.920 236 T HN 2.039 nan 8.240 nan 0.000 0.470 237 G N 3.707 112.444 108.800 -0.105 0.000 2.752 237 G HA2 -0.219 3.782 3.960 0.069 0.000 0.234 237 G HA3 -0.219 3.782 3.960 0.069 0.000 0.234 237 G C 0.476 175.318 174.900 -0.096 0.000 1.367 237 G CA 0.410 45.457 45.100 -0.089 0.000 0.879 237 G HN 0.663 nan 8.290 nan 0.000 0.563 238 E N -0.066 120.088 120.200 -0.077 0.000 2.007 238 E HA 0.301 4.693 4.350 0.069 0.000 0.204 238 E C 1.431 177.977 176.600 -0.089 0.000 0.933 238 E CA 2.092 58.448 56.400 -0.073 0.000 0.924 238 E CB -0.062 29.604 29.700 -0.056 0.000 0.868 238 E HN 0.717 nan 8.360 nan 0.000 0.535 239 E N -1.931 118.231 120.200 -0.063 0.000 2.524 239 E HA 0.494 4.885 4.350 0.069 0.000 0.219 239 E C 0.117 176.694 176.600 -0.039 0.000 0.776 239 E CA -0.468 55.900 56.400 -0.054 0.000 0.944 239 E CB 1.637 31.350 29.700 0.023 0.000 1.719 239 E HN 0.095 nan 8.360 nan 0.000 0.384 240 S N -0.474 115.214 115.700 -0.019 0.000 3.385 240 S HA 0.216 4.728 4.470 0.069 0.000 0.176 240 S C -0.621 173.972 174.600 -0.011 0.000 0.851 240 S CA 0.157 58.339 58.200 -0.031 0.000 1.039 240 S CB 0.546 63.694 63.200 -0.086 0.000 1.241 240 S HN 0.795 nan 8.310 nan 0.000 0.859 241 S N 0.625 116.324 115.700 -0.001 0.000 4.055 241 S HA -0.103 4.408 4.470 0.069 0.000 0.323 241 S C -0.458 174.137 174.600 -0.009 0.000 1.068 241 S CA -0.193 58.033 58.200 0.044 0.000 0.892 241 S CB -2.705 60.530 63.200 0.057 0.000 0.846 241 S HN 0.447 nan 8.310 nan 0.000 0.532 242 I N 1.654 122.179 120.570 -0.075 0.000 2.365 242 I HA 0.425 4.637 4.170 0.069 0.000 0.291 242 I C 1.197 177.256 176.117 -0.097 0.000 1.004 242 I CA -0.697 60.525 61.300 -0.131 0.000 1.311 242 I CB 0.885 38.721 38.000 -0.274 0.000 1.401 242 I HN 0.280 nan 8.210 nan 0.000 0.491 243 R N 3.937 124.368 120.500 -0.115 0.000 2.490 243 R HA 0.159 4.541 4.340 0.069 0.000 0.278 243 R C 0.348 176.539 176.300 -0.181 0.000 1.069 243 R CA -0.513 55.511 56.100 -0.127 0.000 1.080 243 R CB 1.122 31.323 30.300 -0.165 0.000 1.030 243 R HN 0.528 nan 8.270 nan 0.000 0.491 244 Q N 0.949 120.592 119.800 -0.261 0.000 2.302 244 Q HA 0.062 4.444 4.340 0.069 0.000 0.202 244 Q C -0.649 174.868 176.000 -0.805 0.000 0.936 244 Q CA 1.290 56.742 55.803 -0.585 0.000 0.886 244 Q CB 0.415 28.657 28.738 -0.828 0.000 0.986 244 Q HN 0.477 nan 8.270 nan 0.000 0.487 245 Y N -0.872 119.409 120.300 -0.032 0.000 2.633 245 Y HA 0.475 5.067 4.550 0.069 0.000 0.339 245 Y C -0.603 175.276 175.900 -0.035 0.000 1.045 245 Y CA -1.517 56.563 58.100 -0.034 0.000 1.098 245 Y CB 1.259 39.700 38.460 -0.031 0.000 1.296 245 Y HN -0.193 nan 8.280 nan 0.000 0.494 246 E N 1.481 121.775 120.200 0.156 0.000 2.187 246 E HA 0.456 4.847 4.350 0.069 0.000 0.268 246 E C -1.833 174.809 176.600 0.071 0.000 0.896 246 E CA -1.069 55.375 56.400 0.073 0.000 0.766 246 E CB 1.606 31.331 29.700 0.042 0.000 1.142 246 E HN 0.597 nan 8.360 nan 0.000 0.408 247 L N 5.429 126.682 121.223 0.049 0.000 2.315 247 L HA 0.282 4.663 4.340 0.069 0.000 0.283 247 L C -1.406 175.451 176.870 -0.021 0.000 1.089 247 L CA -0.178 54.682 54.840 0.034 0.000 0.833 247 L CB 1.164 43.266 42.059 0.072 0.000 1.170 247 L HN 0.378 nan 8.230 nan 0.000 0.442 248 V N 6.773 126.633 119.914 -0.089 0.000 2.275 248 V HA 0.270 4.431 4.120 0.069 0.000 0.272 248 V C 0.044 175.913 176.094 -0.376 0.000 1.028 248 V CA -0.682 61.508 62.300 -0.182 0.000 0.810 248 V CB 1.287 33.007 31.823 -0.172 0.000 1.043 248 V HN 0.564 nan 8.190 nan 0.000 0.453 249 V N 5.187 124.960 119.914 -0.235 0.000 2.521 249 V HA 0.140 4.301 4.120 0.069 0.000 0.286 249 V C 0.565 176.501 176.094 -0.264 0.000 1.034 249 V CA -0.290 61.876 62.300 -0.224 0.000 1.045 249 V CB 0.329 32.113 31.823 -0.066 0.000 0.974 249 V HN 0.732 nan 8.190 nan 0.000 0.480 250 H N 5.471 124.531 119.070 -0.018 0.000 2.820 250 H HA 0.182 4.779 4.556 0.069 0.000 0.248 250 H C 1.119 176.440 175.328 -0.012 0.000 1.714 250 H CA -0.351 55.687 56.048 -0.016 0.000 1.334 250 H CB 0.326 30.071 29.762 -0.028 0.000 1.693 250 H HN 0.680 nan 8.280 nan 0.000 0.548 251 E N 1.012 121.252 120.200 0.067 0.000 2.401 251 E HA -0.175 4.216 4.350 0.069 0.000 0.204 251 E C 0.206 176.835 176.600 0.048 0.000 1.036 251 E CA 1.113 57.540 56.400 0.045 0.000 0.856 251 E CB 0.355 30.073 29.700 0.031 0.000 0.770 251 E HN 0.575 nan 8.360 nan 0.000 0.527 252 D N -0.627 119.811 120.400 0.064 0.000 2.334 252 D HA 0.163 4.845 4.640 0.069 0.000 0.182 252 D C -1.391 174.926 176.300 0.028 0.000 1.157 252 D CA -0.200 53.822 54.000 0.037 0.000 0.807 252 D CB 0.568 41.382 40.800 0.023 0.000 2.649 252 D HN -0.020 nan 8.370 nan 0.000 0.494 253 M N 2.346 121.944 119.600 -0.004 0.000 2.578 253 M HA 0.332 4.853 4.480 0.069 0.000 0.276 253 M C -1.551 174.711 176.300 -0.064 0.000 1.245 253 M CA -0.610 54.658 55.300 -0.053 0.000 0.871 253 M CB 2.172 34.691 32.600 -0.134 0.000 1.722 253 M HN 0.061 nan 8.290 nan 0.000 0.473 254 D N 3.032 123.386 120.400 -0.078 0.000 2.426 254 D HA -0.016 4.665 4.640 0.069 0.000 0.261 254 D C 1.102 177.352 176.300 -0.084 0.000 1.245 254 D CA 0.223 54.180 54.000 -0.072 0.000 0.917 254 D CB 1.442 42.197 40.800 -0.075 0.000 1.123 254 D HN 0.535 nan 8.370 nan 0.000 0.508 255 V N 3.238 123.113 119.914 -0.065 0.000 2.944 255 V HA -0.257 3.904 4.120 0.069 0.000 0.265 255 V C 1.800 177.845 176.094 -0.082 0.000 1.125 255 V CA 2.345 64.606 62.300 -0.065 0.000 1.145 255 V CB -0.217 31.580 31.823 -0.044 0.000 0.725 255 V HN 0.661 nan 8.190 nan 0.000 0.510 256 A N -0.851 121.916 122.820 -0.087 0.000 2.275 256 A HA 0.154 4.515 4.320 0.069 0.000 0.212 256 A C 1.804 179.302 177.584 -0.144 0.000 1.201 256 A CA 0.476 52.454 52.037 -0.099 0.000 0.843 256 A CB -0.105 18.850 19.000 -0.075 0.000 0.873 256 A HN 0.613 nan 8.150 nan 0.000 0.492 257 K N -0.350 119.952 120.400 -0.162 0.000 2.414 257 K HA 0.312 4.673 4.320 0.069 0.000 0.204 257 K C -0.703 175.736 176.600 -0.269 0.000 1.026 257 K CA -0.008 56.149 56.287 -0.216 0.000 1.108 257 K CB 1.264 33.658 32.500 -0.178 0.000 0.855 257 K HN 0.177 nan 8.250 nan 0.000 0.517 258 V N 1.968 121.747 119.914 -0.224 0.000 2.394 258 V HA 0.196 4.357 4.120 0.069 0.000 0.282 258 V C -0.449 175.537 176.094 -0.180 0.000 1.031 258 V CA -0.891 61.305 62.300 -0.174 0.000 0.881 258 V CB 0.427 32.193 31.823 -0.095 0.000 0.982 258 V HN 0.116 nan 8.190 nan 0.000 0.451 259 Y N 3.137 123.406 120.300 -0.052 0.000 2.465 259 Y HA 0.214 4.805 4.550 0.068 0.000 0.331 259 Y C 1.687 177.550 175.900 -0.061 0.000 1.102 259 Y CA 0.260 58.339 58.100 -0.035 0.000 1.358 259 Y CB 1.215 39.701 38.460 0.044 0.000 1.213 259 Y HN 0.785 nan 8.280 nan 0.000 0.525 260 T N -1.542 113.025 114.554 0.023 0.000 3.054 260 T HA 0.393 4.785 4.350 0.069 0.000 0.255 260 T C 1.122 175.566 174.700 -0.427 0.000 1.035 260 T CA 0.289 62.309 62.100 -0.132 0.000 0.941 260 T CB 0.093 68.894 68.868 -0.112 0.000 1.026 260 T HN 0.913 nan 8.240 nan 0.000 0.533 261 G N 0.981 109.511 108.800 -0.451 0.000 2.276 261 G HA2 -0.051 3.950 3.960 0.069 0.000 0.177 261 G HA3 -0.051 3.950 3.960 0.069 0.000 0.177 261 G C -0.455 173.998 174.900 -0.744 0.000 1.017 261 G CA -0.599 43.947 45.100 -0.924 0.000 0.750 261 G HN 0.555 nan 8.290 nan 0.000 0.506 262 E N 0.461 120.244 120.200 -0.695 0.000 2.374 262 E HA 0.682 5.074 4.350 0.069 0.000 0.260 262 E C 1.338 177.626 176.600 -0.521 0.000 1.101 262 E CA -0.528 55.089 56.400 -1.305 0.000 0.907 262 E CB 0.736 29.987 29.700 -0.750 0.000 1.014 262 E HN 0.020 nan 8.360 nan 0.000 0.427 263 M N 0.458 119.779 119.600 -0.466 0.000 2.486 263 M HA 0.194 4.715 4.480 0.069 0.000 0.264 263 M C 1.140 177.305 176.300 -0.224 0.000 1.125 263 M CA 0.758 55.876 55.300 -0.303 0.000 1.144 263 M CB -0.419 31.945 32.600 -0.394 0.000 1.353 263 M HN 0.672 nan 8.290 nan 0.000 0.466 264 G N -0.385 108.347 108.800 -0.114 0.000 3.157 264 G HA2 0.250 4.251 3.960 0.069 0.000 0.206 264 G HA3 0.250 4.251 3.960 0.069 0.000 0.206 264 G C -0.050 174.874 174.900 0.039 0.000 1.903 264 G CA -0.485 44.590 45.100 -0.042 0.000 0.771 264 G HN 0.201 nan 8.290 nan 0.000 0.750 265 R N 0.034 120.582 120.500 0.080 0.000 2.623 265 R HA 0.198 4.579 4.340 0.069 0.000 0.271 265 R C 0.039 176.433 176.300 0.157 0.000 1.043 265 R CA -0.529 55.638 56.100 0.112 0.000 1.083 265 R CB 0.215 30.559 30.300 0.074 0.000 0.974 265 R HN 0.290 nan 8.270 nan 0.000 0.436 266 L N 4.513 125.807 121.223 0.119 0.000 2.514 266 L HA -0.046 4.335 4.340 0.069 0.000 0.280 266 L C 0.197 177.033 176.870 -0.056 0.000 1.223 266 L CA 0.843 55.624 54.840 -0.098 0.000 0.864 266 L CB 0.279 42.131 42.059 -0.345 0.000 1.118 266 L HN 0.752 nan 8.230 nan 0.000 0.494 267 K N 1.586 121.940 120.400 -0.076 0.000 3.193 267 K HA -0.226 4.135 4.320 0.069 0.000 0.294 267 K C 1.360 177.999 176.600 0.066 0.000 1.185 267 K CA 1.187 57.464 56.287 -0.015 0.000 0.866 267 K CB -2.191 30.288 32.500 -0.036 0.000 1.227 267 K HN 0.956 nan 8.250 nan 0.000 0.467 268 S N -1.198 114.561 115.700 0.099 0.000 2.447 268 S HA -0.103 4.409 4.470 0.069 0.000 0.233 268 S C 1.680 176.458 174.600 0.296 0.000 1.006 268 S CA 0.754 59.060 58.200 0.177 0.000 0.957 268 S CB -0.182 63.124 63.200 0.177 0.000 0.773 268 S HN 0.296 nan 8.310 nan 0.000 0.507 269 Y N 1.990 122.320 120.300 0.050 0.000 2.243 269 Y HA 0.181 4.774 4.550 0.072 0.000 0.293 269 Y C 2.608 178.510 175.900 0.002 0.000 1.124 269 Y CA 0.382 58.491 58.100 0.015 0.000 1.159 269 Y CB -0.865 37.584 38.460 -0.019 0.000 1.008 269 Y HN 0.434 nan 8.280 nan 0.000 0.527 270 E N 0.561 120.863 120.200 0.171 0.000 2.001 270 E HA -0.132 4.259 4.350 0.069 0.000 0.193 270 E C 0.023 176.670 176.600 0.077 0.000 0.994 270 E CA 0.877 57.328 56.400 0.085 0.000 0.815 270 E CB -0.228 29.503 29.700 0.053 0.000 0.770 270 E HN 0.403 nan 8.360 nan 0.000 0.453 271 N N 2.169 120.922 118.700 0.089 0.000 2.469 271 N HA 0.051 4.833 4.740 0.069 0.000 0.239 271 N C -0.617 174.984 175.510 0.150 0.000 1.053 271 N CA -0.066 53.041 53.050 0.096 0.000 0.937 271 N CB 1.273 39.804 38.487 0.073 0.000 1.163 271 N HN 0.134 nan 8.380 nan 0.000 0.509 272 Q N 1.759 121.671 119.800 0.186 0.000 2.368 272 Q HA 0.217 4.598 4.340 0.069 0.000 0.237 272 Q C -0.081 176.126 176.000 0.345 0.000 0.987 272 Q CA 0.195 56.198 55.803 0.334 0.000 0.896 272 Q CB 1.286 30.227 28.738 0.339 0.000 1.241 272 Q HN 0.692 nan 8.270 nan 0.000 0.485 273 K N -0.505 120.133 120.400 0.396 0.000 2.589 273 K HA 0.293 4.654 4.320 0.069 0.000 0.298 273 K C -2.940 173.488 176.600 -0.287 0.000 1.136 273 K CA -1.230 55.122 56.287 0.109 0.000 1.020 273 K CB 0.885 33.425 32.500 0.067 0.000 1.345 273 K HN 0.226 nan 8.250 nan 0.000 0.478 274 P HA -0.010 nan 4.420 nan 0.000 0.270 274 P C -2.088 174.934 177.300 -0.464 0.000 1.216 274 P CA -0.376 62.140 63.100 -0.973 0.000 0.788 274 P CB -0.383 31.007 31.700 -0.516 0.000 0.883 275 P HA 0.345 nan 4.420 nan 0.000 0.278 275 P C -1.033 175.964 177.300 -0.505 0.000 1.258 275 P CA -0.224 62.621 63.100 -0.425 0.000 0.811 275 P CB 0.545 32.153 31.700 -0.153 0.000 1.063 276 F N 0.837 120.844 119.950 0.096 0.000 2.443 276 F HA 0.433 5.003 4.527 0.071 0.000 0.335 276 F C 0.705 176.579 175.800 0.122 0.000 1.104 276 F CA 0.124 58.212 58.000 0.147 0.000 1.013 276 F CB 1.321 40.460 39.000 0.231 0.000 1.136 276 F HN 0.336 nan 8.300 nan 0.000 0.470 277 D N 0.174 120.717 120.400 0.238 0.000 2.838 277 D HA 0.450 5.131 4.640 0.069 0.000 0.334 277 D C 0.470 176.563 176.300 -0.344 0.000 1.315 277 D CA -0.544 53.445 54.000 -0.019 0.000 0.917 277 D CB 0.461 41.241 40.800 -0.033 0.000 1.435 277 D HN 0.440 nan 8.370 nan 0.000 0.517 278 A N -0.435 121.863 122.820 -0.871 0.000 2.032 278 A HA -0.211 4.150 4.320 0.069 0.000 0.221 278 A C 1.656 179.157 177.584 -0.137 0.000 1.165 278 A CA 1.707 53.213 52.037 -0.884 0.000 0.645 278 A CB -0.712 17.920 19.000 -0.614 0.000 0.807 278 A HN 0.475 nan 8.150 nan 0.000 0.453 279 K N -1.670 118.678 120.400 -0.086 0.000 2.314 279 K HA 0.021 4.383 4.320 0.069 0.000 0.198 279 K C 0.177 176.803 176.600 0.043 0.000 1.045 279 K CA 0.641 56.921 56.287 -0.011 0.000 0.988 279 K CB 0.161 32.655 32.500 -0.010 0.000 0.783 279 K HN 0.384 nan 8.250 nan 0.000 0.484 280 N N 1.105 119.865 118.700 0.100 0.000 2.750 280 N HA 0.143 4.924 4.740 0.069 0.000 0.253 280 N C -2.938 172.807 175.510 0.392 0.000 1.408 280 N CA -2.212 50.977 53.050 0.231 0.000 0.780 280 N CB 1.000 39.605 38.487 0.196 0.000 1.191 280 N HN -0.149 nan 8.380 nan 0.000 0.511 281 P HA 0.126 nan 4.420 nan 0.000 0.272 281 P C -0.853 176.645 177.300 0.330 0.000 1.230 281 P CA -0.299 63.081 63.100 0.468 0.000 0.788 281 P CB 0.713 32.748 31.700 0.558 0.000 0.949 282 F N 2.691 122.632 119.950 -0.015 0.000 2.388 282 F HA 0.318 4.883 4.527 0.064 0.000 0.358 282 F C -0.051 175.579 175.800 -0.284 0.000 1.122 282 F CA -1.043 56.656 58.000 -0.501 0.000 1.056 282 F CB 0.438 38.899 39.000 -0.897 0.000 1.155 282 F HN 0.074 nan 8.300 nan 0.000 0.461 283 L N 7.257 127.888 121.223 -0.988 0.000 2.536 283 L HA 0.256 4.638 4.340 0.069 0.000 0.282 283 L C 0.475 176.758 176.870 -0.979 0.000 1.147 283 L CA -0.336 54.039 54.840 -0.775 0.000 0.936 283 L CB -0.514 41.179 42.059 -0.611 0.000 1.279 283 L HN 0.771 nan 8.230 nan 0.000 0.461 284 A N 3.421 125.921 122.820 -0.533 0.000 2.331 284 A HA 0.691 5.052 4.320 0.069 0.000 0.283 284 A C 0.395 177.886 177.584 -0.155 0.000 1.142 284 A CA -0.396 51.512 52.037 -0.215 0.000 0.812 284 A CB 0.861 19.928 19.000 0.112 0.000 1.074 284 A HN 0.732 nan 8.150 nan 0.000 0.497 285 A N 1.903 124.668 122.820 -0.092 0.000 2.354 285 A HA 0.519 4.880 4.320 0.069 0.000 0.269 285 A C 0.033 177.579 177.584 -0.064 0.000 1.109 285 A CA -0.339 51.647 52.037 -0.085 0.000 0.800 285 A CB 0.170 19.139 19.000 -0.052 0.000 1.045 285 A HN 1.051 nan 8.150 nan 0.000 0.489 286 V N 4.017 123.873 119.914 -0.096 0.000 2.387 286 V HA 0.064 4.226 4.120 0.069 0.000 0.260 286 V C 1.343 177.397 176.094 -0.067 0.000 1.054 286 V CA 0.473 62.713 62.300 -0.100 0.000 0.967 286 V CB -0.013 31.720 31.823 -0.149 0.000 1.036 286 V HN 1.091 nan 8.190 nan 0.000 0.481 287 T N 3.601 118.132 114.554 -0.040 0.000 2.770 287 T HA 0.142 4.534 4.350 0.069 0.000 0.263 287 T C 0.706 175.389 174.700 -0.028 0.000 1.039 287 T CA 1.493 63.583 62.100 -0.016 0.000 1.142 287 T CB 0.178 69.058 68.868 0.019 0.000 0.868 287 T HN 0.815 nan 8.240 nan 0.000 0.435 288 A N 0.849 123.641 122.820 -0.047 0.000 2.572 288 A HA 0.696 5.057 4.320 0.069 0.000 0.295 288 A C -1.227 176.320 177.584 -0.060 0.000 1.072 288 A CA -0.749 51.264 52.037 -0.041 0.000 0.691 288 A CB 1.318 20.308 19.000 -0.016 0.000 1.291 288 A HN 0.112 nan 8.150 nan 0.000 0.404 289 N N 0.944 119.619 118.700 -0.042 0.000 2.653 289 N HA 0.220 5.002 4.740 0.069 0.000 0.261 289 N C -1.109 174.394 175.510 -0.011 0.000 1.216 289 N CA -0.244 52.778 53.050 -0.047 0.000 0.784 289 N CB 1.219 39.664 38.487 -0.070 0.000 1.327 289 N HN 0.808 nan 8.380 nan 0.000 0.539 290 R N 1.982 122.492 120.500 0.017 0.000 2.460 290 R HA 0.339 4.721 4.340 0.069 0.000 0.303 290 R C -0.296 175.982 176.300 -0.038 0.000 0.968 290 R CA -0.685 55.416 56.100 0.000 0.000 0.889 290 R CB 1.280 31.575 30.300 -0.009 0.000 1.123 290 R HN 0.254 nan 8.270 nan 0.000 0.455 291 K N 4.766 125.136 120.400 -0.050 0.000 2.339 291 K HA 0.102 4.463 4.320 0.069 0.000 0.286 291 K C 0.247 176.763 176.600 -0.140 0.000 1.050 291 K CA -0.191 56.023 56.287 -0.122 0.000 0.956 291 K CB 0.718 33.210 32.500 -0.014 0.000 0.990 291 K HN 0.681 nan 8.250 nan 0.000 0.475 292 L N 2.759 123.860 121.223 -0.202 0.000 2.286 292 L HA -0.007 4.374 4.340 0.069 0.000 0.203 292 L C 0.821 177.613 176.870 -0.129 0.000 1.068 292 L CA -0.170 54.549 54.840 -0.201 0.000 0.811 292 L CB -0.380 41.496 42.059 -0.305 0.000 0.989 292 L HN 0.729 nan 8.230 nan 0.000 0.467 293 N N 1.749 120.380 118.700 -0.113 0.000 2.458 293 N HA -0.080 4.701 4.740 0.069 0.000 0.258 293 N C 0.341 175.843 175.510 -0.014 0.000 1.219 293 N CA 0.039 53.066 53.050 -0.037 0.000 0.902 293 N CB 1.041 39.512 38.487 -0.026 0.000 1.076 293 N HN 0.248 nan 8.380 nan 0.000 0.455 294 Q N 1.840 121.650 119.800 0.016 0.000 2.096 294 Q HA 0.053 4.435 4.340 0.069 0.000 0.197 294 Q C 1.281 177.292 176.000 0.018 0.000 0.964 294 Q CA 0.883 56.694 55.803 0.013 0.000 0.838 294 Q CB -0.718 28.035 28.738 0.025 0.000 0.906 294 Q HN 0.753 nan 8.270 nan 0.000 0.444 295 G N 1.096 109.913 108.800 0.028 0.000 2.516 295 G HA2 0.211 4.213 3.960 0.069 0.000 0.276 295 G HA3 0.211 4.213 3.960 0.069 0.000 0.276 295 G C 0.658 175.579 174.900 0.034 0.000 1.390 295 G CA 0.581 45.698 45.100 0.028 0.000 1.050 295 G HN 0.329 nan 8.290 nan 0.000 0.519 296 T N -3.765 110.810 114.554 0.035 0.000 2.975 296 T HA 0.191 4.583 4.350 0.069 0.000 0.257 296 T C 1.507 176.235 174.700 0.047 0.000 1.003 296 T CA 0.686 62.811 62.100 0.042 0.000 0.932 296 T CB 0.162 69.047 68.868 0.029 0.000 1.087 296 T HN 0.520 nan 8.240 nan 0.000 0.512 297 E N 1.550 121.775 120.200 0.042 0.000 2.065 297 E HA -0.120 4.272 4.350 0.069 0.000 0.201 297 E C 0.898 177.531 176.600 0.055 0.000 1.016 297 E CA 1.091 57.517 56.400 0.043 0.000 0.818 297 E CB 0.016 29.739 29.700 0.039 0.000 0.749 297 E HN 0.575 nan 8.360 nan 0.000 0.453 298 R N -1.098 119.441 120.500 0.066 0.000 2.947 298 R HA 0.463 4.845 4.340 0.069 0.000 0.253 298 R C -0.866 175.510 176.300 0.126 0.000 1.208 298 R CA -0.832 55.320 56.100 0.087 0.000 1.012 298 R CB 1.126 31.468 30.300 0.070 0.000 1.267 298 R HN -0.002 nan 8.270 nan 0.000 0.473 299 H N 0.586 119.667 119.070 0.019 0.000 2.708 299 H HA 0.424 5.021 4.556 0.069 0.000 0.320 299 H C -1.605 173.728 175.328 0.009 0.000 0.991 299 H CA -0.490 55.563 56.048 0.008 0.000 1.243 299 H CB 0.557 30.321 29.762 0.002 0.000 1.446 299 H HN 0.174 nan 8.280 nan 0.000 0.502 300 L N 5.958 126.984 121.223 -0.329 0.000 2.341 300 L HA 0.490 4.871 4.340 0.069 0.000 0.278 300 L C -0.275 176.361 176.870 -0.390 0.000 1.005 300 L CA -0.462 54.235 54.840 -0.238 0.000 0.818 300 L CB 1.446 43.432 42.059 -0.121 0.000 1.259 300 L HN 0.685 nan 8.230 nan 0.000 0.418 301 M N 0.965 120.403 119.600 -0.271 0.000 2.619 301 M HA 0.578 5.099 4.480 0.069 0.000 0.297 301 M C -1.295 174.952 176.300 -0.088 0.000 1.229 301 M CA -0.691 54.479 55.300 -0.218 0.000 0.860 301 M CB 2.569 35.063 32.600 -0.176 0.000 1.741 301 M HN 0.571 nan 8.290 nan 0.000 0.462 302 H N 3.412 122.393 119.070 -0.149 0.000 2.587 302 H HA 0.552 5.145 4.556 0.061 0.000 0.325 302 H C -2.093 173.162 175.328 -0.121 0.000 1.012 302 H CA -0.545 55.446 56.048 -0.094 0.000 1.213 302 H CB 1.389 31.121 29.762 -0.051 0.000 1.431 302 H HN 0.663 nan 8.280 nan 0.000 0.492 303 L N 4.031 124.970 121.223 -0.474 0.000 2.342 303 L HA 0.416 4.798 4.340 0.069 0.000 0.271 303 L C -0.105 176.483 176.870 -0.471 0.000 1.008 303 L CA -0.669 53.956 54.840 -0.359 0.000 0.818 303 L CB 2.048 43.942 42.059 -0.275 0.000 1.296 303 L HN 0.699 nan 8.230 nan 0.000 0.427 304 E N 3.508 123.540 120.200 -0.280 0.000 2.244 304 E HA 0.482 4.873 4.350 0.069 0.000 0.260 304 E C -1.215 175.352 176.600 -0.054 0.000 0.884 304 E CA -0.492 55.805 56.400 -0.171 0.000 0.777 304 E CB 2.517 32.096 29.700 -0.202 0.000 1.197 304 E HN 0.392 nan 8.360 nan 0.000 0.416 305 L N 2.160 123.379 121.223 -0.008 0.000 2.295 305 L HA 0.362 4.744 4.340 0.069 0.000 0.285 305 L C -0.016 176.897 176.870 0.072 0.000 1.035 305 L CA -0.944 53.900 54.840 0.007 0.000 0.806 305 L CB 0.926 42.980 42.059 -0.008 0.000 1.214 305 L HN 0.462 nan 8.230 nan 0.000 0.426 306 D N 3.803 124.253 120.400 0.083 0.000 2.352 306 D HA 0.192 4.873 4.640 0.069 0.000 0.245 306 D C 0.647 177.075 176.300 0.213 0.000 1.224 306 D CA -0.209 53.866 54.000 0.125 0.000 0.879 306 D CB 0.694 41.552 40.800 0.097 0.000 1.057 306 D HN 0.478 nan 8.370 nan 0.000 0.491 307 I N 0.469 121.135 120.570 0.159 0.000 3.874 307 I HA 0.298 4.510 4.170 0.069 0.000 0.331 307 I C -0.166 175.913 176.117 -0.062 0.000 1.489 307 I CA -0.657 60.682 61.300 0.065 0.000 1.187 307 I CB 0.085 38.088 38.000 0.006 0.000 1.150 307 I HN -0.027 nan 8.210 nan 0.000 0.412 308 S N 2.416 118.151 115.700 0.058 0.000 2.549 308 S HA 0.049 4.560 4.470 0.069 0.000 0.283 308 S C 0.468 175.082 174.600 0.023 0.000 1.320 308 S CA 0.105 58.330 58.200 0.042 0.000 1.058 308 S CB 0.259 63.508 63.200 0.082 0.000 0.882 308 S HN 0.637 nan 8.310 nan 0.000 0.498 309 D N 0.470 120.874 120.400 0.006 0.000 3.090 309 D HA -0.147 4.535 4.640 0.069 0.000 0.215 309 D C 0.774 177.080 176.300 0.011 0.000 1.140 309 D CA 1.382 55.408 54.000 0.043 0.000 0.937 309 D CB -1.793 39.079 40.800 0.119 0.000 1.108 309 D HN 0.662 nan 8.370 nan 0.000 0.420 310 S N -0.988 114.590 115.700 -0.204 0.000 2.523 310 S HA 0.210 4.721 4.470 0.069 0.000 0.217 310 S C 0.944 175.581 174.600 0.062 0.000 0.996 310 S CA 0.111 58.165 58.200 -0.243 0.000 0.921 310 S CB 0.715 63.100 63.200 -1.358 0.000 0.829 310 S HN 0.107 nan 8.310 nan 0.000 0.495 311 K N 0.631 121.034 120.400 0.004 0.000 3.020 311 K HA -0.127 4.235 4.320 0.069 0.000 0.266 311 K C -0.522 176.106 176.600 0.047 0.000 1.067 311 K CA 0.710 57.013 56.287 0.026 0.000 0.780 311 K CB -2.272 30.243 32.500 0.025 0.000 1.220 311 K HN 0.664 nan 8.250 nan 0.000 0.483 312 I N 1.194 121.789 120.570 0.042 0.000 2.496 312 I HA 0.068 4.280 4.170 0.069 0.000 0.285 312 I C 0.662 176.846 176.117 0.111 0.000 1.080 312 I CA -0.136 61.223 61.300 0.098 0.000 1.404 312 I CB 0.806 38.861 38.000 0.092 0.000 1.403 312 I HN 0.054 nan 8.210 nan 0.000 0.539 313 R N 6.137 126.712 120.500 0.124 0.000 2.393 313 R HA 0.583 4.965 4.340 0.069 0.000 0.310 313 R C -1.383 175.027 176.300 0.183 0.000 0.968 313 R CA -0.673 55.484 56.100 0.094 0.000 0.867 313 R CB 1.686 32.018 30.300 0.055 0.000 1.124 313 R HN 0.578 nan 8.270 nan 0.000 0.450 314 Y N -0.765 119.543 120.300 0.014 0.000 2.558 314 Y HA 0.486 5.073 4.550 0.062 0.000 0.333 314 Y C -1.532 174.362 175.900 -0.009 0.000 1.125 314 Y CA -1.186 56.923 58.100 0.016 0.000 1.039 314 Y CB 1.577 40.052 38.460 0.024 0.000 1.331 314 Y HN 0.350 nan 8.280 nan 0.000 0.456 315 E N 1.405 121.676 120.200 0.119 0.000 2.281 315 E HA 0.454 4.845 4.350 0.069 0.000 0.262 315 E C -0.862 175.866 176.600 0.214 0.000 0.933 315 E CA -1.115 55.279 56.400 -0.010 0.000 0.809 315 E CB 2.059 31.743 29.700 -0.026 0.000 1.242 315 E HN 0.725 nan 8.360 nan 0.000 0.418 316 S N -0.206 115.572 115.700 0.129 0.000 2.560 316 S HA 0.364 4.876 4.470 0.069 0.000 0.284 316 S C 1.119 175.915 174.600 0.326 0.000 1.327 316 S CA 0.848 59.202 58.200 0.256 0.000 1.055 316 S CB 0.419 63.744 63.200 0.208 0.000 0.868 316 S HN 0.776 nan 8.310 nan 0.000 0.506 317 G N 2.548 111.586 108.800 0.397 0.000 2.254 317 G HA2 -0.180 3.822 3.960 0.069 0.000 0.225 317 G HA3 -0.180 3.822 3.960 0.069 0.000 0.225 317 G C -0.139 174.848 174.900 0.146 0.000 1.003 317 G CA -0.148 45.210 45.100 0.430 0.000 0.622 317 G HN 0.626 nan 8.290 nan 0.000 0.507 318 D N 0.793 121.251 120.400 0.096 0.000 2.384 318 D HA 0.475 5.157 4.640 0.069 0.000 0.244 318 D C 0.202 176.463 176.300 -0.066 0.000 1.251 318 D CA 0.133 54.106 54.000 -0.045 0.000 0.961 318 D CB 0.324 41.177 40.800 0.089 0.000 1.116 318 D HN 0.350 nan 8.370 nan 0.000 0.484 319 H N -0.771 118.337 119.070 0.062 0.000 2.573 319 H HA 0.468 5.065 4.556 0.068 0.000 0.351 319 H C -0.617 174.724 175.328 0.022 0.000 1.163 319 H CA -0.730 55.346 56.048 0.047 0.000 1.205 319 H CB 1.616 31.428 29.762 0.083 0.000 1.605 319 H HN -0.022 nan 8.280 nan 0.000 0.525 320 V N 1.085 121.078 119.914 0.133 0.000 2.487 320 V HA 0.740 4.901 4.120 0.069 0.000 0.298 320 V C -0.698 175.297 176.094 -0.166 0.000 1.028 320 V CA -0.543 61.730 62.300 -0.046 0.000 0.860 320 V CB 1.020 32.812 31.823 -0.053 0.000 0.991 320 V HN 0.960 nan 8.190 nan 0.000 0.427 321 A N 5.925 128.392 122.820 -0.589 0.000 2.317 321 A HA 0.881 5.243 4.320 0.069 0.000 0.327 321 A C -0.936 176.258 177.584 -0.651 0.000 1.178 321 A CA -0.548 50.907 52.037 -0.971 0.000 0.817 321 A CB 1.783 19.643 19.000 -1.901 0.000 1.189 321 A HN 1.046 nan 8.150 nan 0.000 0.489 322 V N 1.986 121.649 119.914 -0.417 0.000 2.680 322 V HA 0.375 4.536 4.120 0.069 0.000 0.309 322 V C -1.469 174.478 176.094 -0.247 0.000 1.052 322 V CA -0.397 61.815 62.300 -0.148 0.000 0.908 322 V CB 1.814 33.706 31.823 0.115 0.000 1.001 322 V HN 0.785 nan 8.190 nan 0.000 0.431 323 Y N 6.289 126.592 120.300 0.005 0.000 2.385 323 Y HA 0.476 5.067 4.550 0.068 0.000 0.341 323 Y C -1.918 173.699 175.900 -0.472 0.000 0.965 323 Y CA -2.220 55.831 58.100 -0.082 0.000 1.180 323 Y CB 1.364 39.881 38.460 0.095 0.000 1.139 323 Y HN 0.461 nan 8.280 nan 0.000 0.502 324 P HA 0.574 nan 4.420 nan 0.000 0.301 324 P C -1.337 175.286 177.300 -1.129 0.000 1.309 324 P CA -0.743 61.459 63.100 -1.497 0.000 0.782 324 P CB 1.842 33.055 31.700 -0.812 0.000 1.282 325 A N 0.817 122.764 122.820 -1.456 0.000 2.330 325 A HA 0.448 4.810 4.320 0.069 0.000 0.313 325 A C 0.119 177.398 177.584 -0.508 0.000 1.124 325 A CA -0.727 50.803 52.037 -0.845 0.000 0.774 325 A CB 0.201 18.817 19.000 -0.638 0.000 1.198 325 A HN 0.449 nan 8.150 nan 0.000 0.465 326 N N 1.358 119.812 118.700 -0.411 0.000 2.340 326 N HA -0.008 4.773 4.740 0.069 0.000 0.236 326 N C -0.347 175.049 175.510 -0.190 0.000 1.296 326 N CA 0.167 53.066 53.050 -0.252 0.000 0.896 326 N CB 0.538 38.891 38.487 -0.224 0.000 1.127 326 N HN 0.788 nan 8.380 nan 0.000 0.442 327 D N -0.110 120.209 120.400 -0.135 0.000 2.417 327 D HA -0.021 4.660 4.640 0.069 0.000 0.250 327 D C 0.985 177.217 176.300 -0.113 0.000 1.166 327 D CA -0.014 53.926 54.000 -0.100 0.000 0.881 327 D CB 0.690 41.433 40.800 -0.096 0.000 1.164 327 D HN 0.497 nan 8.370 nan 0.000 0.467 328 S N 3.333 118.979 115.700 -0.090 0.000 2.402 328 S HA -0.140 4.372 4.470 0.069 0.000 0.229 328 S C 1.972 176.529 174.600 -0.072 0.000 1.021 328 S CA 0.809 58.960 58.200 -0.082 0.000 0.974 328 S CB -0.170 62.996 63.200 -0.057 0.000 0.800 328 S HN 0.522 nan 8.310 nan 0.000 0.484 329 A N 1.516 124.296 122.820 -0.068 0.000 1.930 329 A HA 0.138 4.500 4.320 0.069 0.000 0.217 329 A C 2.177 179.714 177.584 -0.078 0.000 1.175 329 A CA 1.412 53.412 52.037 -0.062 0.000 0.627 329 A CB -0.725 18.240 19.000 -0.057 0.000 0.815 329 A HN 0.507 nan 8.150 nan 0.000 0.443 330 L N -0.584 120.575 121.223 -0.107 0.000 2.240 330 L HA 0.009 4.391 4.340 0.069 0.000 0.211 330 L C 2.264 179.058 176.870 -0.127 0.000 1.106 330 L CA 1.266 56.019 54.840 -0.145 0.000 0.793 330 L CB -0.201 41.733 42.059 -0.208 0.000 0.927 330 L HN 0.139 nan 8.230 nan 0.000 0.446 331 V N -0.059 119.789 119.914 -0.110 0.000 2.283 331 V HA -0.247 3.914 4.120 0.069 0.000 0.243 331 V C 2.166 178.221 176.094 -0.065 0.000 1.039 331 V CA 2.084 64.329 62.300 -0.093 0.000 1.016 331 V CB -0.696 31.070 31.823 -0.096 0.000 0.650 331 V HN 0.527 nan 8.190 nan 0.000 0.449 332 N N -0.101 118.566 118.700 -0.055 0.000 2.104 332 N HA -0.262 4.519 4.740 0.069 0.000 0.190 332 N C 1.862 177.350 175.510 -0.038 0.000 1.024 332 N CA 1.471 54.498 53.050 -0.038 0.000 0.853 332 N CB -0.177 38.291 38.487 -0.032 0.000 1.008 332 N HN 0.593 nan 8.380 nan 0.000 0.424 333 Q N 0.602 120.375 119.800 -0.045 0.000 2.226 333 Q HA -0.048 4.333 4.340 0.069 0.000 0.204 333 Q C 2.042 178.020 176.000 -0.036 0.000 0.975 333 Q CA 0.785 56.565 55.803 -0.037 0.000 0.866 333 Q CB 0.018 28.733 28.738 -0.039 0.000 0.915 333 Q HN 0.468 nan 8.270 nan 0.000 0.440 334 I N 0.112 120.654 120.570 -0.047 0.000 2.202 334 I HA -0.178 4.033 4.170 0.069 0.000 0.242 334 I C 2.312 178.399 176.117 -0.050 0.000 1.091 334 I CA 1.137 62.410 61.300 -0.045 0.000 1.368 334 I CB -0.484 37.483 38.000 -0.055 0.000 1.058 334 I HN 0.269 nan 8.210 nan 0.000 0.410 335 G N -0.152 108.619 108.800 -0.049 0.000 2.422 335 G HA2 -0.278 3.723 3.960 0.069 0.000 0.218 335 G HA3 -0.278 3.723 3.960 0.069 0.000 0.218 335 G C 1.554 176.430 174.900 -0.040 0.000 1.146 335 G CA 0.713 45.784 45.100 -0.050 0.000 0.769 335 G HN 0.426 nan 8.290 nan 0.000 0.547 336 E N -0.176 120.006 120.200 -0.029 0.000 2.072 336 E HA -0.011 4.380 4.350 0.069 0.000 0.190 336 E C 2.325 178.913 176.600 -0.020 0.000 0.982 336 E CA 0.460 56.847 56.400 -0.021 0.000 0.803 336 E CB -0.147 29.543 29.700 -0.017 0.000 0.755 336 E HN 0.454 nan 8.360 nan 0.000 0.453 337 I N 0.507 121.065 120.570 -0.020 0.000 2.546 337 I HA -0.184 4.027 4.170 0.069 0.000 0.255 337 I C 1.437 177.542 176.117 -0.019 0.000 1.163 337 I CA 0.372 61.665 61.300 -0.012 0.000 1.457 337 I CB 0.267 38.266 38.000 -0.002 0.000 1.092 337 I HN 0.168 nan 8.210 nan 0.000 0.434 338 L N 0.997 122.198 121.223 -0.037 0.000 2.599 338 L HA 0.239 4.621 4.340 0.069 0.000 0.230 338 L C 1.714 178.550 176.870 -0.058 0.000 1.141 338 L CA 1.036 55.841 54.840 -0.058 0.000 0.877 338 L CB -1.171 40.834 42.059 -0.090 0.000 1.009 338 L HN 0.415 nan 8.230 nan 0.000 0.447 339 G N -0.715 108.061 108.800 -0.039 0.000 2.187 339 G HA2 -0.277 3.725 3.960 0.069 0.000 0.261 339 G HA3 -0.277 3.725 3.960 0.069 0.000 0.261 339 G C 0.591 175.470 174.900 -0.035 0.000 1.000 339 G CA 0.513 45.595 45.100 -0.030 0.000 0.718 339 G HN 0.718 nan 8.290 nan 0.000 0.519 340 A N -0.625 122.162 122.820 -0.055 0.000 2.269 340 A HA 0.655 5.016 4.320 0.069 0.000 0.319 340 A C 0.022 177.598 177.584 -0.014 0.000 1.110 340 A CA 0.225 52.227 52.037 -0.059 0.000 0.847 340 A CB 0.909 19.817 19.000 -0.153 0.000 1.161 340 A HN 0.461 nan 8.150 nan 0.000 0.497 341 D N 0.936 121.355 120.400 0.032 0.000 2.274 341 D HA 0.379 5.060 4.640 0.069 0.000 0.239 341 D C 0.530 176.921 176.300 0.151 0.000 1.104 341 D CA -0.254 53.789 54.000 0.072 0.000 0.840 341 D CB 0.669 41.517 40.800 0.079 0.000 1.100 341 D HN 0.322 nan 8.370 nan 0.000 0.477 342 L N 2.318 123.617 121.223 0.126 0.000 2.418 342 L HA 0.087 4.469 4.340 0.069 0.000 0.218 342 L C 0.854 177.829 176.870 0.175 0.000 1.125 342 L CA 0.411 55.368 54.840 0.196 0.000 0.835 342 L CB 0.088 42.208 42.059 0.103 0.000 0.953 342 L HN 0.381 nan 8.230 nan 0.000 0.454 343 D N 0.321 120.788 120.400 0.112 0.000 2.352 343 D HA 0.072 4.753 4.640 0.069 0.000 0.236 343 D C 0.253 176.585 176.300 0.053 0.000 1.148 343 D CA 0.259 54.298 54.000 0.066 0.000 0.844 343 D CB 0.552 41.379 40.800 0.045 0.000 0.933 343 D HN 0.034 nan 8.370 nan 0.000 0.507 344 V N 1.997 121.958 119.914 0.078 0.000 2.488 344 V HA 0.146 4.308 4.120 0.069 0.000 0.277 344 V C 0.786 176.826 176.094 -0.090 0.000 1.046 344 V CA -0.489 61.828 62.300 0.029 0.000 0.986 344 V CB 1.472 33.364 31.823 0.115 0.000 0.989 344 V HN 0.001 nan 8.190 nan 0.000 0.475 345 I N 7.373 127.920 120.570 -0.039 0.000 2.395 345 I HA 0.480 4.692 4.170 0.069 0.000 0.289 345 I C 0.179 176.296 176.117 0.001 0.000 1.023 345 I CA 0.016 61.304 61.300 -0.020 0.000 1.350 345 I CB 1.116 39.136 38.000 0.034 0.000 1.409 345 I HN 0.789 nan 8.210 nan 0.000 0.507 346 M N 4.370 123.969 119.600 -0.001 0.000 3.767 346 M HA 0.727 5.249 4.480 0.069 0.000 0.327 346 M C -1.215 175.115 176.300 0.050 0.000 1.529 346 M CA -0.735 54.549 55.300 -0.026 0.000 0.871 346 M CB 1.475 33.925 32.600 -0.251 0.000 2.008 346 M HN 0.406 nan 8.290 nan 0.000 0.485 347 S N -0.653 115.017 115.700 -0.051 0.000 2.565 347 S HA 0.788 5.299 4.470 0.069 0.000 0.274 347 S C -1.751 172.809 174.600 -0.067 0.000 1.144 347 S CA -1.002 57.162 58.200 -0.060 0.000 0.849 347 S CB 1.009 64.201 63.200 -0.013 0.000 1.103 347 S HN 0.963 nan 8.310 nan 0.000 0.455 348 L N 2.489 123.635 121.223 -0.129 0.000 2.353 348 L HA 0.485 4.866 4.340 0.069 0.000 0.270 348 L C -0.774 176.112 176.870 0.027 0.000 1.003 348 L CA -0.717 54.074 54.840 -0.081 0.000 0.862 348 L CB 1.094 43.004 42.059 -0.249 0.000 1.221 348 L HN 0.620 nan 8.230 nan 0.000 0.430 349 N N 2.169 120.976 118.700 0.178 0.000 2.518 349 N HA 0.111 4.892 4.740 0.069 0.000 0.283 349 N C -0.366 175.315 175.510 0.286 0.000 1.119 349 N CA -0.350 52.819 53.050 0.198 0.000 0.983 349 N CB 1.247 39.814 38.487 0.134 0.000 1.139 349 N HN 0.527 nan 8.380 nan 0.000 0.465 350 N N 1.046 119.903 118.700 0.261 0.000 2.447 350 N HA -0.064 4.717 4.740 0.069 0.000 0.263 350 N C 0.639 176.147 175.510 -0.004 0.000 1.226 350 N CA -0.540 52.590 53.050 0.134 0.000 0.906 350 N CB 0.462 38.983 38.487 0.056 0.000 1.060 350 N HN 0.312 nan 8.380 nan 0.000 0.468 351 L N 2.509 123.681 121.223 -0.086 0.000 2.675 351 L HA 0.038 4.419 4.340 0.069 0.000 0.238 351 L C 0.185 177.015 176.870 -0.067 0.000 1.155 351 L CA 1.172 55.972 54.840 -0.067 0.000 0.881 351 L CB -0.703 41.299 42.059 -0.095 0.000 1.008 351 L HN 0.572 nan 8.230 nan 0.000 0.443 352 D N -0.219 120.136 120.400 -0.074 0.000 2.446 352 D HA 0.069 4.751 4.640 0.069 0.000 0.251 352 D C 0.405 176.684 176.300 -0.034 0.000 1.137 352 D CA -0.109 53.858 54.000 -0.054 0.000 0.890 352 D CB 0.739 41.499 40.800 -0.067 0.000 1.071 352 D HN 0.247 nan 8.370 nan 0.000 0.528 353 E N 1.547 121.733 120.200 -0.023 0.000 2.526 353 E HA -0.121 4.271 4.350 0.069 0.000 0.198 353 E C 0.585 177.177 176.600 -0.013 0.000 1.091 353 E CA 0.351 56.741 56.400 -0.017 0.000 0.880 353 E CB 0.515 30.209 29.700 -0.010 0.000 0.873 353 E HN 0.333 nan 8.360 nan 0.000 0.527 354 E N 0.099 120.293 120.200 -0.011 0.000 2.476 354 E HA 0.058 4.450 4.350 0.069 0.000 0.199 354 E C 0.242 176.845 176.600 0.005 0.000 1.021 354 E CA -0.083 56.316 56.400 -0.002 0.000 0.907 354 E CB 0.561 30.262 29.700 0.001 0.000 0.974 354 E HN -0.023 nan 8.360 nan 0.000 0.489 355 S N -1.228 114.471 115.700 -0.002 0.000 2.693 355 S HA 0.256 4.767 4.470 0.069 0.000 0.276 355 S C 0.758 175.360 174.600 0.003 0.000 1.192 355 S CA -0.412 57.793 58.200 0.009 0.000 0.994 355 S CB 0.848 64.052 63.200 0.005 0.000 1.012 355 S HN 0.235 nan 8.310 nan 0.000 0.550 356 N N 0.366 119.076 118.700 0.016 0.000 2.368 356 N HA 0.054 4.835 4.740 0.069 0.000 0.176 356 N C 0.149 175.649 175.510 -0.017 0.000 1.021 356 N CA 0.245 53.296 53.050 0.002 0.000 0.888 356 N CB 0.044 38.541 38.487 0.018 0.000 0.995 356 N HN 0.466 nan 8.380 nan 0.000 0.437 357 K N 1.723 122.127 120.400 0.007 0.000 2.110 357 K HA 0.036 4.398 4.320 0.069 0.000 0.260 357 K C 0.236 176.823 176.600 -0.021 0.000 1.126 357 K CA -0.004 56.287 56.287 0.007 0.000 1.005 357 K CB 0.358 32.900 32.500 0.070 0.000 1.336 357 K HN -0.135 nan 8.250 nan 0.000 0.369 358 K N 1.468 121.765 120.400 -0.173 0.000 2.167 358 K HA 0.023 4.385 4.320 0.069 0.000 0.203 358 K C 0.233 176.529 176.600 -0.508 0.000 1.052 358 K CA 1.124 57.191 56.287 -0.367 0.000 0.956 358 K CB 0.150 32.286 32.500 -0.606 0.000 0.735 358 K HN 0.532 nan 8.250 nan 0.000 0.451 359 H N -2.185 116.801 119.070 -0.141 0.000 2.907 359 H HA 0.242 4.839 4.556 0.069 0.000 0.361 359 H C -2.163 172.821 175.328 -0.575 0.000 1.194 359 H CA -2.076 53.699 56.048 -0.456 0.000 1.152 359 H CB 1.458 30.948 29.762 -0.454 0.000 1.867 359 H HN -0.208 nan 8.280 nan 0.000 0.561 360 P HA 0.096 nan 4.420 nan 0.000 0.261 360 P C -0.703 176.396 177.300 -0.335 0.000 1.268 360 P CA 0.425 63.190 63.100 -0.557 0.000 0.833 360 P CB 0.249 31.544 31.700 -0.675 0.000 1.231 361 F N -4.332 115.471 119.950 -0.246 0.000 2.799 361 F HA 0.551 5.120 4.527 0.069 0.000 0.316 361 F C -3.338 172.139 175.800 -0.538 0.000 1.155 361 F CA -3.364 54.384 58.000 -0.420 0.000 0.916 361 F CB -0.654 38.100 39.000 -0.410 0.000 1.294 361 F HN -0.430 nan 8.300 nan 0.000 0.447 362 P HA 0.174 nan 4.420 nan 0.000 0.260 362 P C -0.767 176.300 177.300 -0.389 0.000 1.172 362 P CA 0.441 63.004 63.100 -0.894 0.000 0.760 362 P CB 0.160 30.857 31.700 -1.672 0.000 0.773 363 C N 5.476 124.617 119.300 -0.266 0.000 3.090 363 C HA 0.562 5.063 4.460 0.069 0.000 0.305 363 C C -2.250 172.746 174.990 0.010 0.000 1.292 363 C CA -1.465 57.457 59.018 -0.161 0.000 1.482 363 C CB 2.304 29.607 27.740 -0.728 0.000 1.897 363 C HN 0.495 nan 8.230 nan 0.000 0.469 364 P HA 0.407 nan 4.420 nan 0.000 0.274 364 P C -0.636 176.738 177.300 0.123 0.000 1.237 364 P CA 0.531 63.641 63.100 0.018 0.000 0.793 364 P CB 1.238 32.865 31.700 -0.122 0.000 0.977 365 T N -0.744 113.882 114.554 0.120 0.000 2.718 365 T HA 0.470 4.861 4.350 0.069 0.000 0.306 365 T C -0.976 173.737 174.700 0.022 0.000 1.485 365 T CA -0.395 61.784 62.100 0.131 0.000 0.997 365 T CB 0.748 69.772 68.868 0.261 0.000 1.504 365 T HN 0.559 nan 8.240 nan 0.000 0.497 366 T N 0.552 115.101 114.554 -0.008 0.000 2.927 366 T HA 0.498 4.890 4.350 0.069 0.000 0.281 366 T C 0.709 175.370 174.700 -0.064 0.000 0.998 366 T CA -0.505 61.547 62.100 -0.079 0.000 1.019 366 T CB 0.677 69.535 68.868 -0.016 0.000 1.061 366 T HN 0.534 nan 8.240 nan 0.000 0.518 367 Y N 0.471 120.794 120.300 0.037 0.000 2.128 367 Y HA -0.077 4.515 4.550 0.069 0.000 0.284 367 Y C 2.981 178.858 175.900 -0.037 0.000 1.154 367 Y CA 1.477 59.583 58.100 0.010 0.000 1.149 367 Y CB -0.584 37.888 38.460 0.020 0.000 0.976 367 Y HN 0.662 nan 8.280 nan 0.000 0.505 368 R N -0.323 120.258 120.500 0.134 0.000 2.119 368 R HA -0.215 4.167 4.340 0.069 0.000 0.246 368 R C 2.036 178.334 176.300 -0.003 0.000 1.146 368 R CA 2.283 58.411 56.100 0.046 0.000 0.962 368 R CB -0.523 29.803 30.300 0.042 0.000 0.863 368 R HN 0.294 nan 8.270 nan 0.000 0.442 369 T N 0.207 114.757 114.554 -0.006 0.000 2.737 369 T HA -0.068 4.324 4.350 0.069 0.000 0.265 369 T C 1.752 176.337 174.700 -0.192 0.000 1.038 369 T CA 1.318 63.393 62.100 -0.042 0.000 1.144 369 T CB -0.273 68.556 68.868 -0.064 0.000 0.866 369 T HN 0.500 nan 8.240 nan 0.000 0.434 370 A N 1.192 123.887 122.820 -0.208 0.000 1.902 370 A HA 0.014 4.376 4.320 0.069 0.000 0.217 370 A C 2.276 179.705 177.584 -0.259 0.000 1.181 370 A CA 1.210 53.019 52.037 -0.381 0.000 0.623 370 A CB -0.836 17.753 19.000 -0.685 0.000 0.818 370 A HN 0.480 nan 8.150 nan 0.000 0.443 371 L N -0.912 120.223 121.223 -0.148 0.000 2.141 371 L HA -0.125 4.256 4.340 0.069 0.000 0.209 371 L C 2.634 179.398 176.870 -0.177 0.000 1.094 371 L CA 1.617 56.384 54.840 -0.120 0.000 0.763 371 L CB -0.616 41.402 42.059 -0.070 0.000 0.908 371 L HN 0.359 nan 8.230 nan 0.000 0.437 372 T N -1.791 112.629 114.554 -0.223 0.000 2.894 372 T HA -0.073 4.319 4.350 0.069 0.000 0.258 372 T C 1.204 175.561 174.700 -0.572 0.000 1.043 372 T CA 1.199 63.059 62.100 -0.401 0.000 1.141 372 T CB -0.040 68.548 68.868 -0.467 0.000 0.873 372 T HN 0.245 nan 8.240 nan 0.000 0.449 373 Y N -1.710 118.350 120.300 -0.400 0.000 2.430 373 Y HA 0.353 4.943 4.550 0.068 0.000 0.254 373 Y C 1.165 176.850 175.900 -0.359 0.000 1.088 373 Y CA -0.582 57.251 58.100 -0.446 0.000 1.267 373 Y CB 0.379 38.479 38.460 -0.600 0.000 1.204 373 Y HN 0.160 nan 8.280 nan 0.000 0.515 374 Y N -0.267 119.977 120.300 -0.093 0.000 2.442 374 Y HA 0.401 4.992 4.550 0.069 0.000 0.250 374 Y C 0.294 176.114 175.900 -0.134 0.000 1.113 374 Y CA -0.734 57.265 58.100 -0.168 0.000 1.273 374 Y CB 0.244 38.476 38.460 -0.380 0.000 1.138 374 Y HN -0.133 nan 8.280 nan 0.000 0.522 375 L N -0.427 120.790 121.223 -0.011 0.000 2.301 375 L HA 0.431 4.812 4.340 0.069 0.000 0.264 375 L C -0.607 176.257 176.870 -0.010 0.000 1.016 375 L CA -1.094 53.749 54.840 0.005 0.000 0.821 375 L CB 1.693 43.745 42.059 -0.012 0.000 1.346 375 L HN -0.205 nan 8.230 nan 0.000 0.429 376 D N 1.906 122.315 120.400 0.016 0.000 2.373 376 D HA 0.332 5.013 4.640 0.069 0.000 0.227 376 D C 0.102 176.407 176.300 0.009 0.000 1.091 376 D CA -0.250 53.755 54.000 0.009 0.000 0.840 376 D CB 1.346 42.164 40.800 0.031 0.000 1.060 376 D HN 0.555 nan 8.370 nan 0.000 0.502 377 I N 1.139 121.696 120.570 -0.022 0.000 3.947 377 I HA 0.215 4.426 4.170 0.069 0.000 0.327 377 I C 0.695 176.789 176.117 -0.039 0.000 1.519 377 I CA -0.337 60.945 61.300 -0.030 0.000 1.122 377 I CB 0.568 38.519 38.000 -0.080 0.000 1.146 377 I HN 0.178 nan 8.210 nan 0.000 0.442 378 T N -3.971 110.585 114.554 0.003 0.000 2.966 378 T HA 0.303 4.695 4.350 0.069 0.000 0.254 378 T C 0.569 175.335 174.700 0.110 0.000 0.961 378 T CA -0.111 62.016 62.100 0.044 0.000 0.915 378 T CB -0.170 68.693 68.868 -0.008 0.000 1.186 378 T HN 0.163 nan 8.240 nan 0.000 0.505 379 N N 2.959 121.709 118.700 0.083 0.000 2.515 379 N HA 0.491 5.272 4.740 0.069 0.000 0.279 379 N C -2.968 172.598 175.510 0.094 0.000 1.164 379 N CA -1.867 51.234 53.050 0.086 0.000 0.982 379 N CB 0.599 39.129 38.487 0.071 0.000 1.170 379 N HN 0.124 nan 8.380 nan 0.000 0.474 380 P HA 0.136 nan 4.420 nan 0.000 0.263 380 P C -2.377 175.007 177.300 0.141 0.000 1.195 380 P CA -0.533 62.610 63.100 0.072 0.000 0.762 380 P CB -0.020 31.693 31.700 0.021 0.000 0.799 381 P HA 0.062 nan 4.420 nan 0.000 0.265 381 P C 0.043 177.533 177.300 0.316 0.000 1.193 381 P CA 0.230 63.456 63.100 0.210 0.000 0.765 381 P CB 0.487 32.311 31.700 0.206 0.000 0.823 382 R N 1.465 122.126 120.500 0.268 0.000 2.582 382 R HA 0.087 4.468 4.340 0.069 0.000 0.271 382 R C 1.817 178.247 176.300 0.218 0.000 1.078 382 R CA 0.200 56.470 56.100 0.283 0.000 1.127 382 R CB -0.155 30.279 30.300 0.224 0.000 1.038 382 R HN 0.575 nan 8.270 nan 0.000 0.500 383 T N -1.121 113.458 114.554 0.041 0.000 2.721 383 T HA -0.282 4.110 4.350 0.069 0.000 0.268 383 T C 1.413 176.175 174.700 0.103 0.000 1.038 383 T CA 2.118 64.185 62.100 -0.056 0.000 1.145 383 T CB -0.366 68.354 68.868 -0.247 0.000 0.858 383 T HN 0.811 nan 8.240 nan 0.000 0.459 384 N N 0.711 119.483 118.700 0.121 0.000 2.142 384 N HA -0.071 4.710 4.740 0.069 0.000 0.186 384 N C 1.842 177.450 175.510 0.164 0.000 1.023 384 N CA 1.018 54.142 53.050 0.123 0.000 0.852 384 N CB -0.577 37.979 38.487 0.116 0.000 0.998 384 N HN 0.292 nan 8.380 nan 0.000 0.424 385 V N 1.412 121.422 119.914 0.160 0.000 2.343 385 V HA -0.198 3.963 4.120 0.069 0.000 0.247 385 V C 2.486 178.672 176.094 0.154 0.000 1.051 385 V CA 1.375 63.763 62.300 0.147 0.000 1.036 385 V CB -0.677 31.233 31.823 0.146 0.000 0.654 385 V HN 0.379 nan 8.190 nan 0.000 0.451 386 L N -1.361 119.974 121.223 0.187 0.000 2.046 386 L HA -0.226 4.156 4.340 0.069 0.000 0.208 386 L C 2.502 179.449 176.870 0.128 0.000 1.077 386 L CA 2.119 57.067 54.840 0.180 0.000 0.747 386 L CB -0.753 41.452 42.059 0.244 0.000 0.896 386 L HN 0.409 nan 8.230 nan 0.000 0.432 387 Y N 1.199 121.521 120.300 0.036 0.000 2.128 387 Y HA -0.261 4.330 4.550 0.069 0.000 0.284 387 Y C 2.678 178.563 175.900 -0.026 0.000 1.154 387 Y CA 1.610 59.727 58.100 0.027 0.000 1.149 387 Y CB -0.077 38.435 38.460 0.086 0.000 0.976 387 Y HN 0.114 nan 8.280 nan 0.000 0.505 388 E N 0.217 120.592 120.200 0.293 0.000 2.153 388 E HA -0.182 4.209 4.350 0.069 0.000 0.194 388 E C 2.195 178.774 176.600 -0.035 0.000 0.988 388 E CA 1.373 57.865 56.400 0.152 0.000 0.811 388 E CB -0.323 29.444 29.700 0.111 0.000 0.746 388 E HN 0.553 nan 8.360 nan 0.000 0.466 389 L N -0.024 121.190 121.223 -0.015 0.000 2.270 389 L HA -0.000 4.381 4.340 0.069 0.000 0.210 389 L C 2.482 179.271 176.870 -0.135 0.000 1.104 389 L CA 0.627 55.487 54.840 0.034 0.000 0.804 389 L CB -0.407 41.711 42.059 0.099 0.000 0.937 389 L HN 0.004 nan 8.230 nan 0.000 0.450 390 A N 1.010 123.622 122.820 -0.345 0.000 1.958 390 A HA -0.320 4.041 4.320 0.069 0.000 0.221 390 A C 2.252 179.541 177.584 -0.492 0.000 1.178 390 A CA 2.213 53.877 52.037 -0.621 0.000 0.642 390 A CB -0.699 17.376 19.000 -1.542 0.000 0.816 390 A HN 0.679 nan 8.150 nan 0.000 0.453 391 Q N -2.270 117.245 119.800 -0.476 0.000 2.368 391 Q HA -0.179 4.202 4.340 0.069 0.000 0.210 391 Q C 1.053 176.822 176.000 -0.385 0.000 0.982 391 Q CA 1.713 57.272 55.803 -0.406 0.000 0.884 391 Q CB -0.514 27.919 28.738 -0.509 0.000 0.933 391 Q HN 0.743 nan 8.270 nan 0.000 0.460 392 Y N 0.559 120.828 120.300 -0.053 0.000 2.457 392 Y HA 0.434 5.026 4.550 0.069 0.000 0.263 392 Y C 0.734 176.613 175.900 -0.034 0.000 1.164 392 Y CA -0.571 57.514 58.100 -0.024 0.000 1.274 392 Y CB 0.274 38.730 38.460 -0.008 0.000 1.097 392 Y HN 0.144 nan 8.280 nan 0.000 0.523 393 A N -0.113 122.724 122.820 0.028 0.000 2.350 393 A HA 0.362 4.724 4.320 0.069 0.000 0.293 393 A C 1.155 178.735 177.584 -0.007 0.000 1.231 393 A CA 0.010 52.041 52.037 -0.009 0.000 0.883 393 A CB 0.221 19.158 19.000 -0.106 0.000 1.133 393 A HN 0.304 nan 8.150 nan 0.000 0.533 394 S N 1.352 117.063 115.700 0.019 0.000 2.387 394 S HA -0.074 4.437 4.470 0.069 0.000 0.226 394 S C 1.001 175.601 174.600 -0.000 0.000 1.026 394 S CA 1.127 59.337 58.200 0.017 0.000 0.972 394 S CB -0.130 63.087 63.200 0.027 0.000 0.814 394 S HN 0.857 nan 8.310 nan 0.000 0.477 395 E N 3.061 123.258 120.200 -0.006 0.000 2.217 395 E HA 0.103 4.494 4.350 0.069 0.000 0.279 395 E C -1.476 175.103 176.600 -0.035 0.000 1.068 395 E CA -2.289 54.103 56.400 -0.014 0.000 0.882 395 E CB 0.865 30.560 29.700 -0.009 0.000 1.039 395 E HN 0.053 nan 8.360 nan 0.000 0.418 396 P HA -0.217 nan 4.420 nan 0.000 0.216 396 P C 0.957 178.236 177.300 -0.035 0.000 1.150 396 P CA 1.478 64.562 63.100 -0.028 0.000 0.837 396 P CB 0.108 31.799 31.700 -0.016 0.000 0.786 397 S N 0.233 115.914 115.700 -0.031 0.000 2.368 397 S HA -0.182 4.329 4.470 0.069 0.000 0.225 397 S C 2.026 176.584 174.600 -0.069 0.000 1.030 397 S CA 1.121 59.309 58.200 -0.021 0.000 0.999 397 S CB -1.239 61.951 63.200 -0.017 0.000 0.844 397 S HN 0.227 nan 8.310 nan 0.000 0.459 398 E N 1.082 121.192 120.200 -0.150 0.000 2.072 398 E HA -0.159 4.232 4.350 0.069 0.000 0.191 398 E C 2.326 178.700 176.600 -0.377 0.000 0.985 398 E CA 1.062 57.244 56.400 -0.364 0.000 0.801 398 E CB -0.226 29.309 29.700 -0.275 0.000 0.750 398 E HN 0.685 nan 8.360 nan 0.000 0.452 399 Q N 0.524 120.197 119.800 -0.212 0.000 2.291 399 Q HA -0.209 4.172 4.340 0.069 0.000 0.206 399 Q C 1.953 177.883 176.000 -0.117 0.000 0.976 399 Q CA 0.936 56.622 55.803 -0.194 0.000 0.875 399 Q CB 0.227 28.904 28.738 -0.102 0.000 0.927 399 Q HN 0.065 nan 8.270 nan 0.000 0.450 400 E N 0.025 120.188 120.200 -0.061 0.000 2.008 400 E HA -0.174 4.218 4.350 0.069 0.000 0.191 400 E C 1.668 178.253 176.600 -0.026 0.000 0.986 400 E CA 1.461 57.858 56.400 -0.005 0.000 0.807 400 E CB -0.373 29.333 29.700 0.010 0.000 0.766 400 E HN 0.469 nan 8.360 nan 0.000 0.450 401 H N 0.730 119.688 119.070 -0.186 0.000 2.325 401 H HA -0.149 4.448 4.556 0.069 0.000 0.293 401 H C 2.233 177.480 175.328 -0.134 0.000 1.106 401 H CA 2.024 57.965 56.048 -0.179 0.000 1.247 401 H CB -0.400 29.185 29.762 -0.295 0.000 1.359 401 H HN 0.088 nan 8.280 nan 0.000 0.488 402 L N -0.922 120.224 121.223 -0.128 0.000 1.955 402 L HA -0.270 4.111 4.340 0.069 0.000 0.213 402 L C 2.361 179.196 176.870 -0.059 0.000 1.072 402 L CA 1.880 56.660 54.840 -0.100 0.000 0.755 402 L CB -0.693 41.214 42.059 -0.253 0.000 0.888 402 L HN 0.437 nan 8.230 nan 0.000 0.432 403 H N -0.557 118.432 119.070 -0.135 0.000 2.319 403 H HA -0.210 4.387 4.556 0.069 0.000 0.297 403 H C 1.927 177.222 175.328 -0.056 0.000 1.097 403 H CA 1.365 57.288 56.048 -0.209 0.000 1.285 403 H CB 0.101 29.684 29.762 -0.299 0.000 1.368 403 H HN -0.007 nan 8.280 nan 0.000 0.495 404 K N 0.451 120.900 120.400 0.081 0.000 2.574 404 K HA -0.017 4.344 4.320 0.069 0.000 0.193 404 K C 1.238 177.879 176.600 0.068 0.000 1.035 404 K CA 0.578 56.892 56.287 0.045 0.000 0.982 404 K CB 0.012 32.490 32.500 -0.037 0.000 0.795 404 K HN 0.381 nan 8.250 nan 0.000 0.491 405 M N -1.672 117.997 119.600 0.114 0.000 2.502 405 M HA 0.116 4.638 4.480 0.069 0.000 0.243 405 M C 1.416 177.757 176.300 0.067 0.000 1.130 405 M CA 0.341 55.730 55.300 0.149 0.000 1.055 405 M CB 0.402 33.169 32.600 0.278 0.000 1.457 405 M HN 0.130 nan 8.290 nan 0.000 0.488 406 A N -0.031 122.861 122.820 0.120 0.000 2.178 406 A HA 0.137 4.499 4.320 0.069 0.000 0.211 406 A C 1.026 178.653 177.584 0.072 0.000 1.157 406 A CA 0.032 52.130 52.037 0.102 0.000 0.780 406 A CB -0.193 18.977 19.000 0.284 0.000 0.828 406 A HN 0.299 nan 8.150 nan 0.000 0.476 407 S N 1.224 116.975 115.700 0.084 0.000 2.715 407 S HA -0.029 4.482 4.470 0.069 0.000 0.318 407 S C 1.424 176.051 174.600 0.046 0.000 1.242 407 S CA 0.391 58.630 58.200 0.064 0.000 1.044 407 S CB 0.534 63.767 63.200 0.055 0.000 0.760 407 S HN 0.560 nan 8.310 nan 0.000 0.501 408 S N 2.309 118.034 115.700 0.042 0.000 2.461 408 S HA -0.031 4.480 4.470 0.069 0.000 0.246 408 S C 0.712 175.337 174.600 0.041 0.000 1.007 408 S CA 0.869 59.090 58.200 0.034 0.000 0.976 408 S CB -0.173 63.045 63.200 0.031 0.000 0.763 408 S HN 0.726 nan 8.310 nan 0.000 0.508 409 S N -3.134 112.595 115.700 0.047 0.000 2.655 409 S HA 0.481 4.992 4.470 0.069 0.000 0.275 409 S C -0.264 174.366 174.600 0.051 0.000 0.899 409 S CA -0.385 57.849 58.200 0.056 0.000 1.080 409 S CB 0.218 63.451 63.200 0.055 0.000 1.359 409 S HN 1.133 nan 8.310 nan 0.000 0.453 410 G N 0.955 109.788 108.800 0.055 0.000 2.526 410 G HA2 -0.068 3.933 3.960 0.069 0.000 0.250 410 G HA3 -0.068 3.933 3.960 0.069 0.000 0.250 410 G C 0.111 175.040 174.900 0.048 0.000 1.289 410 G CA 0.572 45.699 45.100 0.044 0.000 0.947 410 G HN 0.819 nan 8.290 nan 0.000 0.517 411 E N 0.006 120.224 120.200 0.031 0.000 2.253 411 E HA -0.155 4.237 4.350 0.069 0.000 0.202 411 E C 2.498 179.114 176.600 0.027 0.000 1.014 411 E CA 1.745 58.159 56.400 0.023 0.000 0.823 411 E CB -0.297 29.401 29.700 -0.005 0.000 0.736 411 E HN 0.816 nan 8.360 nan 0.000 0.478 412 G N 1.153 109.969 108.800 0.027 0.000 2.403 412 G HA2 -0.254 3.748 3.960 0.069 0.000 0.216 412 G HA3 -0.254 3.748 3.960 0.069 0.000 0.216 412 G C 1.450 176.424 174.900 0.124 0.000 1.154 412 G CA 0.471 45.598 45.100 0.046 0.000 0.784 412 G HN 0.123 nan 8.290 nan 0.000 0.538 413 K N 0.415 120.886 120.400 0.117 0.000 2.439 413 K HA 0.057 4.418 4.320 0.069 0.000 0.197 413 K C 2.007 178.717 176.600 0.184 0.000 1.041 413 K CA 0.679 57.062 56.287 0.160 0.000 0.970 413 K CB 0.010 32.581 32.500 0.119 0.000 0.773 413 K HN 0.371 nan 8.250 nan 0.000 0.479 414 E N -0.015 120.271 120.200 0.144 0.000 2.166 414 E HA -0.093 4.298 4.350 0.069 0.000 0.192 414 E C 1.737 178.433 176.600 0.159 0.000 0.967 414 E CA 0.221 56.700 56.400 0.133 0.000 0.840 414 E CB 0.106 29.862 29.700 0.094 0.000 0.795 414 E HN 0.139 nan 8.360 nan 0.000 0.470 415 L N 0.564 121.885 121.223 0.163 0.000 2.027 415 L HA -0.174 4.207 4.340 0.069 0.000 0.206 415 L C 2.264 179.318 176.870 0.306 0.000 1.074 415 L CA 1.744 56.703 54.840 0.198 0.000 0.745 415 L CB -0.675 41.451 42.059 0.111 0.000 0.898 415 L HN 0.114 nan 8.230 nan 0.000 0.433 416 Y N -0.260 120.162 120.300 0.203 0.000 2.181 416 Y HA -0.202 4.389 4.550 0.069 0.000 0.288 416 Y C 2.157 178.180 175.900 0.206 0.000 1.146 416 Y CA 1.970 60.210 58.100 0.234 0.000 1.164 416 Y CB -0.250 38.326 38.460 0.193 0.000 0.982 416 Y HN 0.192 nan 8.280 nan 0.000 0.515 417 L N -0.356 120.970 121.223 0.173 0.000 2.083 417 L HA -0.186 4.195 4.340 0.069 0.000 0.209 417 L C 2.654 179.530 176.870 0.010 0.000 1.083 417 L CA 1.792 56.671 54.840 0.066 0.000 0.752 417 L CB -0.910 41.245 42.059 0.160 0.000 0.899 417 L HN 0.414 nan 8.230 nan 0.000 0.433 418 S N -1.811 113.938 115.700 0.082 0.000 2.460 418 S HA -0.145 4.366 4.470 0.069 0.000 0.226 418 S C 1.659 176.318 174.600 0.097 0.000 1.057 418 S CA -0.219 58.030 58.200 0.083 0.000 0.948 418 S CB -0.617 62.654 63.200 0.118 0.000 0.822 418 S HN 0.504 nan 8.310 nan 0.000 0.512 419 W N 1.761 123.052 121.300 -0.016 0.000 2.584 419 W HA 0.248 4.950 4.660 0.070 0.000 0.264 419 W C 1.688 178.167 176.519 -0.066 0.000 1.264 419 W CA 0.863 58.199 57.345 -0.016 0.000 1.306 419 W CB 0.151 29.643 29.460 0.053 0.000 1.110 419 W HN 0.168 nan 8.180 nan 0.000 0.606 420 V N -1.757 118.111 119.914 -0.077 0.000 2.840 420 V HA -0.096 4.065 4.120 0.069 0.000 0.234 420 V C 1.723 177.649 176.094 -0.280 0.000 1.159 420 V CA 1.116 63.266 62.300 -0.249 0.000 1.194 420 V CB -0.494 31.216 31.823 -0.188 0.000 0.971 420 V HN -0.157 nan 8.190 nan 0.000 0.494 421 V N 0.210 119.923 119.914 -0.335 0.000 2.244 421 V HA -0.155 4.006 4.120 0.069 0.000 0.244 421 V C 2.602 178.628 176.094 -0.112 0.000 1.042 421 V CA 1.915 64.089 62.300 -0.210 0.000 1.006 421 V CB -0.622 31.085 31.823 -0.194 0.000 0.641 421 V HN 0.499 nan 8.190 nan 0.000 0.446 422 E N 0.636 120.782 120.200 -0.090 0.000 2.077 422 E HA -0.152 4.239 4.350 0.069 0.000 0.193 422 E C 2.239 178.796 176.600 -0.072 0.000 0.989 422 E CA 1.560 57.928 56.400 -0.054 0.000 0.800 422 E CB -0.580 29.107 29.700 -0.022 0.000 0.746 422 E HN 0.559 nan 8.360 nan 0.000 0.452 423 A N 0.595 123.340 122.820 -0.125 0.000 2.168 423 A HA -0.054 4.307 4.320 0.069 0.000 0.215 423 A C 1.053 178.537 177.584 -0.167 0.000 1.152 423 A CA 0.676 52.609 52.037 -0.173 0.000 0.716 423 A CB -0.387 18.419 19.000 -0.323 0.000 0.794 423 A HN 0.195 nan 8.150 nan 0.000 0.465 424 R N -0.804 119.614 120.500 -0.136 0.000 3.264 424 R HA -0.150 4.231 4.340 0.069 0.000 0.251 424 R C -0.687 175.503 176.300 -0.184 0.000 0.971 424 R CA 0.612 56.661 56.100 -0.086 0.000 0.658 424 R CB -1.939 28.395 30.300 0.057 0.000 1.095 424 R HN 0.649 nan 8.270 nan 0.000 0.443 425 R N 1.467 121.795 120.500 -0.287 0.000 2.296 425 R HA 0.090 4.471 4.340 0.069 0.000 0.323 425 R C 0.468 176.611 176.300 -0.262 0.000 1.067 425 R CA -0.243 55.610 56.100 -0.412 0.000 0.946 425 R CB 0.396 30.390 30.300 -0.510 0.000 0.991 425 R HN 0.381 nan 8.270 nan 0.000 0.448 426 H N 0.849 119.864 119.070 -0.092 0.000 2.509 426 H HA 0.064 4.661 4.556 0.069 0.000 0.360 426 H C 1.234 176.542 175.328 -0.034 0.000 1.398 426 H CA -0.928 55.092 56.048 -0.047 0.000 1.429 426 H CB 0.343 30.076 29.762 -0.049 0.000 1.611 426 H HN 0.422 nan 8.280 nan 0.000 0.606 427 I N 0.028 120.728 120.570 0.216 0.000 2.087 427 I HA -0.265 3.947 4.170 0.069 0.000 0.240 427 I C 2.098 178.314 176.117 0.164 0.000 1.054 427 I CA 1.439 62.827 61.300 0.146 0.000 1.311 427 I CB -0.871 37.181 38.000 0.087 0.000 1.024 427 I HN 0.703 nan 8.210 nan 0.000 0.402 428 L N 0.935 122.278 121.223 0.201 0.000 2.043 428 L HA -0.194 4.187 4.340 0.069 0.000 0.212 428 L C 2.447 179.413 176.870 0.159 0.000 1.075 428 L CA 2.405 57.335 54.840 0.149 0.000 0.752 428 L CB -1.252 40.837 42.059 0.051 0.000 0.891 428 L HN 0.352 nan 8.230 nan 0.000 0.432 429 A N -0.303 122.628 122.820 0.184 0.000 1.877 429 A HA -0.170 4.192 4.320 0.069 0.000 0.216 429 A C 2.167 179.685 177.584 -0.110 0.000 1.186 429 A CA 1.887 53.859 52.037 -0.107 0.000 0.620 429 A CB -0.720 17.996 19.000 -0.473 0.000 0.822 429 A HN 0.443 nan 8.150 nan 0.000 0.443 430 I N -0.003 120.529 120.570 -0.063 0.000 2.099 430 I HA -0.257 3.954 4.170 0.069 0.000 0.239 430 I C 2.478 178.663 176.117 0.113 0.000 1.066 430 I CA 1.430 62.748 61.300 0.031 0.000 1.324 430 I CB -1.529 36.569 38.000 0.163 0.000 1.037 430 I HN 0.284 nan 8.210 nan 0.000 0.401 431 L N 0.033 121.326 121.223 0.116 0.000 2.263 431 L HA -0.254 4.127 4.340 0.069 0.000 0.216 431 L C 2.562 179.484 176.870 0.087 0.000 1.111 431 L CA 1.280 56.189 54.840 0.115 0.000 0.773 431 L CB -0.439 41.666 42.059 0.076 0.000 0.906 431 L HN 0.415 nan 8.230 nan 0.000 0.439 432 Q N -1.114 118.714 119.800 0.048 0.000 2.297 432 Q HA -0.085 4.297 4.340 0.069 0.000 0.203 432 Q C 1.322 177.332 176.000 0.017 0.000 0.931 432 Q CA 0.705 56.524 55.803 0.026 0.000 0.885 432 Q CB 0.238 28.979 28.738 0.005 0.000 0.991 432 Q HN 0.423 nan 8.270 nan 0.000 0.498 433 D N -0.543 119.845 120.400 -0.019 0.000 2.323 433 D HA -0.051 4.630 4.640 0.069 0.000 0.209 433 D C -0.337 175.919 176.300 -0.074 0.000 0.973 433 D CA 0.836 54.806 54.000 -0.050 0.000 0.874 433 D CB 0.333 41.117 40.800 -0.026 0.000 0.930 433 D HN 0.145 nan 8.370 nan 0.000 0.521 434 Y N 0.674 121.062 120.300 0.147 0.000 2.915 434 Y HA 0.245 4.836 4.550 0.069 0.000 0.350 434 Y C -1.609 174.324 175.900 0.056 0.000 1.061 434 Y CA -3.111 55.037 58.100 0.080 0.000 1.179 434 Y CB 1.216 39.730 38.460 0.090 0.000 1.180 434 Y HN -0.106 nan 8.280 nan 0.000 0.605 435 P HA -0.168 nan 4.420 nan 0.000 0.223 435 P C 1.260 178.614 177.300 0.090 0.000 1.144 435 P CA 1.542 64.705 63.100 0.105 0.000 0.783 435 P CB 0.319 32.062 31.700 0.071 0.000 0.771 436 S N -1.398 114.360 115.700 0.097 0.000 2.527 436 S HA 0.014 4.525 4.470 0.069 0.000 0.222 436 S C 0.849 175.490 174.600 0.069 0.000 0.985 436 S CA -0.297 57.940 58.200 0.062 0.000 0.921 436 S CB -0.998 62.223 63.200 0.036 0.000 0.772 436 S HN 0.033 nan 8.310 nan 0.000 0.529 437 L N 3.331 124.615 121.223 0.101 0.000 2.283 437 L HA 0.511 4.893 4.340 0.069 0.000 0.287 437 L C -0.459 176.465 176.870 0.090 0.000 1.073 437 L CA 0.019 54.926 54.840 0.111 0.000 0.822 437 L CB 0.145 42.298 42.059 0.158 0.000 1.186 437 L HN 0.059 nan 8.230 nan 0.000 0.436 438 R N 6.727 127.269 120.500 0.070 0.000 2.545 438 R HA 0.445 4.826 4.340 0.069 0.000 0.289 438 R C -2.761 173.491 176.300 -0.080 0.000 1.327 438 R CA -1.346 54.756 56.100 0.004 0.000 1.040 438 R CB 1.598 31.899 30.300 0.001 0.000 1.176 438 R HN 0.476 nan 8.270 nan 0.000 0.518 439 P HA 0.428 nan 4.420 nan 0.000 0.287 439 P C -2.714 174.309 177.300 -0.461 0.000 1.270 439 P CA -2.051 60.736 63.100 -0.522 0.000 0.844 439 P CB 0.959 32.501 31.700 -0.264 0.000 1.068 440 P HA 0.170 nan 4.420 nan 0.000 0.268 440 P C 1.175 178.352 177.300 -0.206 0.000 1.204 440 P CA 0.026 62.949 63.100 -0.295 0.000 0.768 440 P CB 0.409 31.981 31.700 -0.214 0.000 0.842 441 I N 2.732 123.166 120.570 -0.225 0.000 2.394 441 I HA -0.220 3.991 4.170 0.069 0.000 0.251 441 I C 1.631 177.617 176.117 -0.217 0.000 1.136 441 I CA 1.586 62.706 61.300 -0.301 0.000 1.425 441 I CB -0.085 37.576 38.000 -0.565 0.000 1.079 441 I HN 0.410 nan 8.210 nan 0.000 0.425 442 D N -0.747 119.597 120.400 -0.093 0.000 2.218 442 D HA -0.331 4.350 4.640 0.069 0.000 0.204 442 D C 1.914 178.358 176.300 0.239 0.000 0.976 442 D CA 1.647 55.760 54.000 0.188 0.000 0.853 442 D CB -0.689 40.254 40.800 0.238 0.000 0.939 442 D HN 0.620 nan 8.370 nan 0.000 0.481 443 H N -0.491 118.614 119.070 0.059 0.000 2.384 443 H HA 0.018 4.615 4.556 0.069 0.000 0.300 443 H C 2.322 177.722 175.328 0.121 0.000 1.057 443 H CA 0.280 56.394 56.048 0.110 0.000 1.370 443 H CB 0.233 30.061 29.762 0.110 0.000 1.417 443 H HN 0.037 nan 8.280 nan 0.000 0.527 444 L N 0.916 122.205 121.223 0.110 0.000 2.012 444 L HA -0.210 4.172 4.340 0.069 0.000 0.210 444 L C 2.280 179.228 176.870 0.131 0.000 1.073 444 L CA 1.597 56.465 54.840 0.046 0.000 0.748 444 L CB -0.980 41.074 42.059 -0.007 0.000 0.891 444 L HN 0.407 nan 8.230 nan 0.000 0.431 445 C N -0.292 119.116 119.300 0.180 0.000 2.410 445 C HA -0.153 4.349 4.460 0.069 0.000 0.281 445 C C 2.680 177.872 174.990 0.337 0.000 1.318 445 C CA 1.106 60.294 59.018 0.283 0.000 1.776 445 C CB -1.199 26.792 27.740 0.419 0.000 1.942 445 C HN 0.671 nan 8.230 nan 0.000 0.508 446 E N 0.235 120.623 120.200 0.314 0.000 2.299 446 E HA -0.045 4.346 4.350 0.069 0.000 0.193 446 E C 1.808 178.586 176.600 0.296 0.000 0.998 446 E CA 0.653 57.254 56.400 0.334 0.000 0.851 446 E CB 0.068 30.040 29.700 0.454 0.000 0.795 446 E HN 0.647 nan 8.360 nan 0.000 0.492 447 L N 0.493 121.852 121.223 0.228 0.000 2.354 447 L HA 0.092 4.474 4.340 0.069 0.000 0.212 447 L C 0.530 177.487 176.870 0.145 0.000 1.091 447 L CA -0.291 54.646 54.840 0.162 0.000 0.828 447 L CB 0.040 42.148 42.059 0.082 0.000 0.973 447 L HN 0.078 nan 8.230 nan 0.000 0.461 448 L N 2.008 123.319 121.223 0.146 0.000 2.453 448 L HA 0.146 4.528 4.340 0.069 0.000 0.272 448 L C -1.748 175.198 176.870 0.126 0.000 1.182 448 L CA -1.287 53.627 54.840 0.123 0.000 0.858 448 L CB -0.352 41.772 42.059 0.108 0.000 1.120 448 L HN -0.127 nan 8.230 nan 0.000 0.474 449 P HA 0.204 nan 4.420 nan 0.000 0.276 449 P C -0.680 176.668 177.300 0.081 0.000 1.252 449 P CA -0.766 62.380 63.100 0.077 0.000 0.802 449 P CB 0.738 32.466 31.700 0.047 0.000 1.035 450 R N 0.731 121.278 120.500 0.079 0.000 2.594 450 R HA 0.240 4.622 4.340 0.069 0.000 0.272 450 R C 0.150 176.497 176.300 0.078 0.000 1.074 450 R CA -0.922 55.233 56.100 0.093 0.000 1.105 450 R CB -0.292 30.065 30.300 0.096 0.000 1.008 450 R HN 0.468 nan 8.270 nan 0.000 0.472 451 L N 3.188 124.462 121.223 0.085 0.000 2.410 451 L HA 0.012 4.393 4.340 0.069 0.000 0.273 451 L C 0.014 176.953 176.870 0.114 0.000 1.144 451 L CA 0.688 55.567 54.840 0.066 0.000 0.863 451 L CB 0.521 42.601 42.059 0.036 0.000 1.140 451 L HN 0.326 nan 8.230 nan 0.000 0.463 452 Q N 3.701 123.547 119.800 0.076 0.000 2.214 452 Q HA 0.570 4.951 4.340 0.069 0.000 0.251 452 Q C -0.288 175.715 176.000 0.004 0.000 0.936 452 Q CA -0.506 55.346 55.803 0.082 0.000 0.894 452 Q CB 1.557 30.330 28.738 0.058 0.000 1.252 452 Q HN 0.819 nan 8.270 nan 0.000 0.448 453 A N 1.905 124.660 122.820 -0.108 0.000 2.386 453 A HA 0.429 4.790 4.320 0.069 0.000 0.248 453 A C -0.120 177.225 177.584 -0.399 0.000 1.082 453 A CA -0.192 51.591 52.037 -0.424 0.000 0.789 453 A CB 0.287 18.782 19.000 -0.842 0.000 1.025 453 A HN 0.514 nan 8.150 nan 0.000 0.490 454 R N -0.237 120.039 120.500 -0.375 0.000 2.604 454 R HA 0.566 4.947 4.340 0.069 0.000 0.287 454 R C -1.502 174.457 176.300 -0.568 0.000 0.970 454 R CA -0.143 55.765 56.100 -0.319 0.000 0.946 454 R CB 0.848 31.118 30.300 -0.049 0.000 1.127 454 R HN 0.694 nan 8.270 nan 0.000 0.473 455 Y N 1.349 121.360 120.300 -0.482 0.000 2.457 455 Y HA 0.497 5.088 4.550 0.068 0.000 0.333 455 Y C -0.593 174.754 175.900 -0.923 0.000 1.119 455 Y CA -0.285 57.512 58.100 -0.505 0.000 1.143 455 Y CB 1.341 39.548 38.460 -0.423 0.000 1.230 455 Y HN 0.422 nan 8.280 nan 0.000 0.469 456 Y N -0.794 119.498 120.300 -0.014 0.000 2.504 456 Y HA 0.308 4.901 4.550 0.072 0.000 0.344 456 Y C -0.367 175.533 175.900 0.000 0.000 1.023 456 Y CA -1.287 56.790 58.100 -0.038 0.000 1.020 456 Y CB 2.117 40.546 38.460 -0.052 0.000 1.282 456 Y HN 0.393 nan 8.280 nan 0.000 0.454 457 S N 3.926 119.689 115.700 0.106 0.000 2.423 457 S HA 0.284 4.795 4.470 0.069 0.000 0.302 457 S C 0.150 174.787 174.600 0.062 0.000 1.143 457 S CA -0.493 57.775 58.200 0.113 0.000 1.080 457 S CB -0.828 62.356 63.200 -0.028 0.000 1.081 457 S HN 0.433 nan 8.310 nan 0.000 0.522 458 I N 2.602 123.198 120.570 0.044 0.000 3.214 458 I HA -0.218 3.994 4.170 0.069 0.000 0.332 458 I C 1.213 177.319 176.117 -0.019 0.000 1.225 458 I CA 0.193 61.459 61.300 -0.056 0.000 1.453 458 I CB 0.137 38.017 38.000 -0.201 0.000 1.321 458 I HN 0.666 nan 8.210 nan 0.000 0.518 459 A N 5.422 128.239 122.820 -0.005 0.000 2.415 459 A HA 0.298 4.660 4.320 0.069 0.000 0.248 459 A C 0.668 178.262 177.584 0.017 0.000 1.299 459 A CA 0.237 52.291 52.037 0.029 0.000 0.899 459 A CB -0.290 18.765 19.000 0.091 0.000 0.997 459 A HN 0.743 nan 8.150 nan 0.000 0.506 460 S N -1.539 114.131 115.700 -0.050 0.000 2.667 460 S HA 0.702 5.213 4.470 0.069 0.000 0.292 460 S C -0.256 174.420 174.600 0.128 0.000 1.126 460 S CA -0.295 57.838 58.200 -0.112 0.000 0.881 460 S CB 1.441 64.250 63.200 -0.651 0.000 1.132 460 S HN 0.388 nan 8.310 nan 0.000 0.492 461 S N 0.212 115.980 115.700 0.113 0.000 2.541 461 S HA 0.460 4.971 4.470 0.069 0.000 0.283 461 S C 1.226 175.772 174.600 -0.090 0.000 1.196 461 S CA -0.069 58.156 58.200 0.042 0.000 1.062 461 S CB 0.963 64.127 63.200 -0.060 0.000 1.009 461 S HN 1.049 nan 8.310 nan 0.000 0.502 462 S N 4.518 119.973 115.700 -0.408 0.000 2.387 462 S HA -0.016 4.495 4.470 0.069 0.000 0.226 462 S C 1.592 175.902 174.600 -0.483 0.000 1.026 462 S CA 0.234 58.026 58.200 -0.680 0.000 0.972 462 S CB -0.341 62.294 63.200 -0.942 0.000 0.814 462 S HN 0.724 nan 8.310 nan 0.000 0.477 463 K N 1.195 121.254 120.400 -0.569 0.000 2.113 463 K HA -0.019 4.343 4.320 0.069 0.000 0.208 463 K C 2.124 178.218 176.600 -0.843 0.000 1.047 463 K CA 1.365 57.098 56.287 -0.924 0.000 0.928 463 K CB -0.779 30.882 32.500 -1.398 0.000 0.716 463 K HN 0.476 nan 8.250 nan 0.000 0.446 464 V N -0.371 119.217 119.914 -0.543 0.000 2.690 464 V HA -0.032 4.129 4.120 0.069 0.000 0.240 464 V C 0.976 176.839 176.094 -0.385 0.000 1.078 464 V CA 0.665 62.727 62.300 -0.396 0.000 1.102 464 V CB -0.189 31.501 31.823 -0.221 0.000 0.800 464 V HN 0.257 nan 8.190 nan 0.000 0.479 465 H N 1.685 120.675 119.070 -0.133 0.000 2.375 465 H HA 0.245 4.818 4.556 0.029 0.000 0.230 465 H C -1.651 173.659 175.328 -0.030 0.000 1.511 465 H CA -1.447 54.567 56.048 -0.056 0.000 1.215 465 H CB 0.677 30.388 29.762 -0.085 0.000 1.580 465 H HN 0.347 nan 8.280 nan 0.000 0.537 466 P HA -0.127 nan 4.420 nan 0.000 0.222 466 P C 0.402 177.741 177.300 0.064 0.000 1.147 466 P CA 1.049 64.103 63.100 -0.077 0.000 0.790 466 P CB 0.344 31.971 31.700 -0.122 0.000 0.780 467 N N -1.236 117.524 118.700 0.101 0.000 2.280 467 N HA 0.064 4.845 4.740 0.069 0.000 0.192 467 N C 0.326 175.932 175.510 0.160 0.000 1.109 467 N CA -0.085 53.035 53.050 0.115 0.000 0.855 467 N CB 0.317 38.858 38.487 0.090 0.000 0.974 467 N HN 0.002 nan 8.380 nan 0.000 0.482 468 S N 0.020 115.849 115.700 0.214 0.000 2.569 468 S HA 0.543 5.055 4.470 0.069 0.000 0.280 468 S C -1.323 173.334 174.600 0.095 0.000 1.111 468 S CA -0.613 57.694 58.200 0.178 0.000 0.887 468 S CB 1.409 64.750 63.200 0.236 0.000 1.095 468 S HN -0.205 nan 8.310 nan 0.000 0.476 469 V N 4.803 124.722 119.914 0.007 0.000 2.376 469 V HA 0.430 4.591 4.120 0.069 0.000 0.287 469 V C -0.384 175.694 176.094 -0.026 0.000 1.015 469 V CA -0.622 61.563 62.300 -0.191 0.000 0.834 469 V CB 0.880 32.557 31.823 -0.244 0.000 1.001 469 V HN 0.925 nan 8.190 nan 0.000 0.428 470 H N 4.769 123.714 119.070 -0.208 0.000 2.505 470 H HA 0.643 5.232 4.556 0.055 0.000 0.351 470 H C -0.666 174.515 175.328 -0.245 0.000 1.151 470 H CA -0.734 55.157 56.048 -0.262 0.000 1.339 470 H CB 1.952 31.584 29.762 -0.217 0.000 1.483 470 H HN 0.447 nan 8.280 nan 0.000 0.558 471 I N 2.069 122.507 120.570 -0.220 0.000 2.478 471 I HA 0.117 4.328 4.170 0.069 0.000 0.287 471 I C -0.782 175.237 176.117 -0.164 0.000 1.042 471 I CA -0.574 60.620 61.300 -0.176 0.000 1.067 471 I CB 1.882 39.718 38.000 -0.273 0.000 1.233 471 I HN 0.543 nan 8.210 nan 0.000 0.431 472 C N 6.886 126.192 119.300 0.009 0.000 2.264 472 C HA 0.913 5.414 4.460 0.069 0.000 0.324 472 C C 0.192 175.213 174.990 0.052 0.000 1.267 472 C CA 0.037 59.111 59.018 0.093 0.000 1.618 472 C CB -0.474 27.434 27.740 0.280 0.000 2.278 472 C HN 0.876 nan 8.230 nan 0.000 0.499 473 A N 4.514 127.327 122.820 -0.012 0.000 2.556 473 A HA 0.762 5.123 4.320 0.069 0.000 0.294 473 A C -1.185 176.407 177.584 0.013 0.000 1.091 473 A CA -0.454 51.600 52.037 0.029 0.000 0.704 473 A CB 1.595 20.569 19.000 -0.044 0.000 1.300 473 A HN 1.539 nan 8.150 nan 0.000 0.406 474 V N 1.812 121.764 119.914 0.063 0.000 2.347 474 V HA 0.646 4.807 4.120 0.069 0.000 0.280 474 V C 0.577 176.728 176.094 0.095 0.000 1.021 474 V CA -0.009 62.324 62.300 0.055 0.000 0.847 474 V CB 0.703 32.560 31.823 0.057 0.000 0.990 474 V HN 1.747 nan 8.190 nan 0.000 0.444 475 A N 6.508 129.397 122.820 0.114 0.000 2.520 475 A HA 0.478 4.840 4.320 0.069 0.000 0.245 475 A C -0.024 177.637 177.584 0.129 0.000 1.072 475 A CA 0.043 52.163 52.037 0.138 0.000 0.761 475 A CB 0.200 19.311 19.000 0.184 0.000 1.004 475 A HN 1.038 nan 8.150 nan 0.000 0.499 476 V N 3.314 123.307 119.914 0.132 0.000 2.432 476 V HA 0.495 4.656 4.120 0.069 0.000 0.275 476 V C 0.221 176.402 176.094 0.144 0.000 1.043 476 V CA 0.115 62.511 62.300 0.161 0.000 0.925 476 V CB 0.747 32.679 31.823 0.182 0.000 0.985 476 V HN 1.027 nan 8.190 nan 0.000 0.466 477 E N 5.442 125.751 120.200 0.181 0.000 2.397 477 E HA 0.577 4.969 4.350 0.069 0.000 0.293 477 E C -1.815 174.882 176.600 0.162 0.000 0.930 477 E CA -0.650 55.791 56.400 0.068 0.000 0.793 477 E CB 1.832 31.547 29.700 0.026 0.000 1.259 477 E HN 0.672 nan 8.360 nan 0.000 0.406 478 Y N 0.171 120.476 120.300 0.009 0.000 2.725 478 Y HA 0.494 5.085 4.550 0.068 0.000 0.333 478 Y C -1.251 174.645 175.900 -0.007 0.000 1.242 478 Y CA -1.283 56.819 58.100 0.002 0.000 1.059 478 Y CB 0.900 39.361 38.460 0.001 0.000 1.306 478 Y HN 0.309 nan 8.280 nan 0.000 0.454 479 E N 0.850 121.169 120.200 0.199 0.000 2.152 479 E HA 0.503 4.895 4.350 0.069 0.000 0.285 479 E C 0.035 176.766 176.600 0.217 0.000 1.043 479 E CA -0.074 56.385 56.400 0.099 0.000 0.839 479 E CB 1.665 31.407 29.700 0.070 0.000 1.069 479 E HN 0.782 nan 8.360 nan 0.000 0.399 480 A N 4.039 126.933 122.820 0.122 0.000 2.072 480 A HA -0.066 4.295 4.320 0.069 0.000 0.216 480 A C 1.294 178.917 177.584 0.066 0.000 1.156 480 A CA 0.854 53.003 52.037 0.186 0.000 0.701 480 A CB 0.102 19.151 19.000 0.082 0.000 0.816 480 A HN 0.778 nan 8.150 nan 0.000 0.458 481 K N -2.595 117.806 120.400 0.002 0.000 3.567 481 K HA -0.162 4.199 4.320 0.069 0.000 0.263 481 K C 1.403 177.950 176.600 -0.089 0.000 0.932 481 K CA 1.127 57.396 56.287 -0.030 0.000 1.141 481 K CB -1.957 30.527 32.500 -0.027 0.000 1.255 481 K HN 0.707 nan 8.250 nan 0.000 0.577 482 S N -0.224 115.395 115.700 -0.135 0.000 2.561 482 S HA 0.160 4.671 4.470 0.069 0.000 0.225 482 S C 1.385 175.880 174.600 -0.175 0.000 0.977 482 S CA 1.890 59.950 58.200 -0.234 0.000 0.926 482 S CB 0.709 63.718 63.200 -0.318 0.000 0.769 482 S HN 0.825 nan 8.310 nan 0.000 0.533 483 G N 0.760 109.495 108.800 -0.108 0.000 2.258 483 G HA2 -0.241 3.761 3.960 0.069 0.000 0.233 483 G HA3 -0.241 3.761 3.960 0.069 0.000 0.233 483 G C 0.291 175.147 174.900 -0.074 0.000 1.006 483 G CA 0.004 45.058 45.100 -0.077 0.000 0.620 483 G HN 0.620 nan 8.290 nan 0.000 0.511 484 R N -0.587 119.851 120.500 -0.103 0.000 2.608 484 R HA 0.682 5.063 4.340 0.069 0.000 0.255 484 R C -0.211 176.029 176.300 -0.099 0.000 1.086 484 R CA -0.497 55.550 56.100 -0.088 0.000 1.125 484 R CB 1.589 31.835 30.300 -0.090 0.000 1.193 484 R HN 0.064 nan 8.270 nan 0.000 0.553 485 V N 2.754 122.609 119.914 -0.098 0.000 2.347 485 V HA 0.201 4.362 4.120 0.069 0.000 0.280 485 V C -0.589 175.374 176.094 -0.219 0.000 1.021 485 V CA -0.739 61.471 62.300 -0.151 0.000 0.847 485 V CB 1.263 33.025 31.823 -0.102 0.000 0.990 485 V HN 0.636 nan 8.190 nan 0.000 0.444 486 N N 4.635 123.060 118.700 -0.458 0.000 2.530 486 N HA 0.401 5.183 4.740 0.069 0.000 0.277 486 N C -0.421 174.848 175.510 -0.402 0.000 1.168 486 N CA -0.391 52.365 53.050 -0.490 0.000 0.979 486 N CB 0.988 38.970 38.487 -0.841 0.000 1.141 486 N HN 0.431 nan 8.380 nan 0.000 0.459 487 K N 0.339 120.620 120.400 -0.197 0.000 2.345 487 K HA 0.433 4.795 4.320 0.069 0.000 0.255 487 K C 0.036 176.617 176.600 -0.033 0.000 0.934 487 K CA -0.755 55.471 56.287 -0.102 0.000 0.801 487 K CB 1.793 34.250 32.500 -0.072 0.000 1.137 487 K HN 0.644 nan 8.250 nan 0.000 0.424 488 G N 1.727 110.544 108.800 0.028 0.000 2.334 488 G HA2 0.194 4.195 3.960 0.069 0.000 0.261 488 G HA3 0.194 4.195 3.960 0.069 0.000 0.261 488 G C 1.185 176.123 174.900 0.063 0.000 1.257 488 G CA -0.483 44.661 45.100 0.075 0.000 0.935 488 G HN 0.294 nan 8.290 nan 0.000 0.480 489 V N 3.774 123.713 119.914 0.042 0.000 2.215 489 V HA -0.339 3.823 4.120 0.069 0.000 0.249 489 V C 3.201 179.335 176.094 0.068 0.000 1.054 489 V CA 2.826 65.134 62.300 0.014 0.000 1.012 489 V CB -1.171 30.632 31.823 -0.032 0.000 0.639 489 V HN 0.832 nan 8.190 nan 0.000 0.448 490 A N 0.452 123.331 122.820 0.098 0.000 1.877 490 A HA -0.228 4.133 4.320 0.069 0.000 0.216 490 A C 2.496 180.238 177.584 0.263 0.000 1.186 490 A CA 2.918 55.075 52.037 0.199 0.000 0.620 490 A CB -1.170 17.974 19.000 0.240 0.000 0.822 490 A HN 0.696 nan 8.150 nan 0.000 0.443 491 T N -2.489 112.181 114.554 0.193 0.000 2.708 491 T HA -0.130 4.261 4.350 0.069 0.000 0.266 491 T C 2.019 176.789 174.700 0.116 0.000 1.037 491 T CA 1.836 64.015 62.100 0.132 0.000 1.146 491 T CB -0.791 68.156 68.868 0.131 0.000 0.865 491 T HN 0.277 nan 8.240 nan 0.000 0.435 492 S N 0.419 116.188 115.700 0.116 0.000 2.383 492 S HA -0.087 4.424 4.470 0.069 0.000 0.229 492 S C 1.429 176.094 174.600 0.109 0.000 1.030 492 S CA 1.300 59.547 58.200 0.078 0.000 1.002 492 S CB -0.618 62.615 63.200 0.055 0.000 0.829 492 S HN 0.740 nan 8.310 nan 0.000 0.467 493 W N 2.140 123.414 121.300 -0.043 0.000 2.378 493 W HA 0.035 4.740 4.660 0.074 0.000 0.313 493 W C 1.704 178.191 176.519 -0.054 0.000 1.197 493 W CA 0.845 58.159 57.345 -0.052 0.000 1.304 493 W CB -0.607 28.826 29.460 -0.045 0.000 1.148 493 W HN 0.173 nan 8.180 nan 0.000 0.494 494 L N 0.390 121.604 121.223 -0.015 0.000 2.046 494 L HA -0.196 4.186 4.340 0.069 0.000 0.208 494 L C 2.769 179.514 176.870 -0.208 0.000 1.077 494 L CA 1.807 56.500 54.840 -0.245 0.000 0.747 494 L CB -0.983 40.993 42.059 -0.139 0.000 0.896 494 L HN -0.028 nan 8.230 nan 0.000 0.432 495 R N 0.460 120.908 120.500 -0.087 0.000 2.127 495 R HA -0.184 4.198 4.340 0.069 0.000 0.238 495 R C 2.072 178.308 176.300 -0.107 0.000 1.134 495 R CA 1.440 57.509 56.100 -0.051 0.000 0.975 495 R CB -0.151 30.142 30.300 -0.011 0.000 0.865 495 R HN 0.363 nan 8.270 nan 0.000 0.447 496 A N 0.690 123.421 122.820 -0.148 0.000 2.169 496 A HA 0.059 4.420 4.320 0.069 0.000 0.212 496 A C 0.188 177.649 177.584 -0.204 0.000 1.153 496 A CA 0.203 52.147 52.037 -0.155 0.000 0.756 496 A CB 0.067 18.988 19.000 -0.130 0.000 0.813 496 A HN 0.031 nan 8.150 nan 0.000 0.471 497 K N 2.150 122.378 120.400 -0.287 0.000 2.416 497 K HA 0.135 4.496 4.320 0.069 0.000 0.283 497 K C -0.329 176.159 176.600 -0.186 0.000 1.037 497 K CA 0.313 56.422 56.287 -0.298 0.000 0.995 497 K CB 0.332 32.595 32.500 -0.396 0.000 0.938 497 K HN 0.746 nan 8.250 nan 0.000 0.475 498 E N 3.578 123.688 120.200 -0.150 0.000 2.185 498 E HA 0.401 4.792 4.350 0.069 0.000 0.261 498 E C -2.369 174.176 176.600 -0.091 0.000 0.879 498 E CA -2.047 54.291 56.400 -0.104 0.000 0.756 498 E CB 0.805 30.455 29.700 -0.084 0.000 1.152 498 E HN 0.180 nan 8.360 nan 0.000 0.416 508 L N 1.698 122.827 121.223 -0.157 0.000 2.346 508 L HA 0.785 5.166 4.340 0.069 0.000 0.274 508 L C -0.550 176.236 176.870 -0.140 0.000 1.007 508 L CA -1.234 53.508 54.840 -0.163 0.000 0.818 508 L CB 2.281 44.236 42.059 -0.174 0.000 1.284 508 L HN 0.357 nan 8.230 nan 0.000 0.424 509 V N 3.312 123.155 119.914 -0.118 0.000 2.376 509 V HA 0.312 4.473 4.120 0.069 0.000 0.287 509 V C -2.323 173.812 176.094 0.068 0.000 1.015 509 V CA -1.795 60.531 62.300 0.044 0.000 0.834 509 V CB 1.660 33.469 31.823 -0.023 0.000 1.001 509 V HN 0.565 nan 8.190 nan 0.000 0.428 510 P HA 0.272 nan 4.420 nan 0.000 0.265 510 P C -0.500 176.946 177.300 0.244 0.000 1.222 510 P CA 0.001 63.145 63.100 0.073 0.000 0.767 510 P CB 0.512 32.276 31.700 0.107 0.000 0.801 511 M N 3.908 123.639 119.600 0.219 0.000 2.826 511 M HA 0.893 5.414 4.480 0.069 0.000 0.284 511 M C -1.081 175.468 176.300 0.414 0.000 1.191 511 M CA -1.150 54.277 55.300 0.213 0.000 0.745 511 M CB 1.020 33.673 32.600 0.088 0.000 1.750 511 M HN 0.208 nan 8.290 nan 0.000 0.434 512 F N -2.940 117.089 119.950 0.130 0.000 2.822 512 F HA 0.675 5.244 4.527 0.070 0.000 0.323 512 F C -2.391 173.487 175.800 0.130 0.000 1.133 512 F CA -1.504 56.595 58.000 0.164 0.000 0.941 512 F CB 0.125 39.252 39.000 0.212 0.000 1.263 512 F HN 0.538 nan 8.300 nan 0.000 0.451 513 V N 2.788 122.904 119.914 0.337 0.000 2.532 513 V HA 0.632 4.793 4.120 0.069 0.000 0.295 513 V C -0.310 175.988 176.094 0.339 0.000 1.041 513 V CA -0.721 61.702 62.300 0.206 0.000 0.926 513 V CB 1.717 33.647 31.823 0.179 0.000 0.992 513 V HN 0.879 nan 8.190 nan 0.000 0.457 514 R N 3.280 123.937 120.500 0.262 0.000 2.393 514 R HA 0.389 4.771 4.340 0.069 0.000 0.315 514 R C -0.255 176.133 176.300 0.146 0.000 0.952 514 R CA -0.745 55.524 56.100 0.280 0.000 0.842 514 R CB 1.053 31.559 30.300 0.343 0.000 1.163 514 R HN 0.720 nan 8.270 nan 0.000 0.450 515 K N 2.130 122.601 120.400 0.119 0.000 2.448 515 K HA 0.016 4.378 4.320 0.069 0.000 0.278 515 K C -0.301 176.299 176.600 -0.000 0.000 1.009 515 K CA 0.265 56.590 56.287 0.064 0.000 0.995 515 K CB 0.613 33.158 32.500 0.076 0.000 0.917 515 K HN 0.716 nan 8.250 nan 0.000 0.481 516 S N 2.270 117.939 115.700 -0.051 0.000 2.759 516 S HA 0.199 4.710 4.470 0.069 0.000 0.310 516 S C 0.491 175.116 174.600 0.042 0.000 1.123 516 S CA -0.653 57.493 58.200 -0.090 0.000 0.959 516 S CB 1.746 64.739 63.200 -0.345 0.000 1.172 516 S HN 0.676 nan 8.310 nan 0.000 0.539 517 Q N -0.799 119.065 119.800 0.108 0.000 2.378 517 Q HA 0.445 4.826 4.340 0.069 0.000 0.216 517 Q C -0.598 175.541 176.000 0.233 0.000 0.892 517 Q CA -0.098 55.795 55.803 0.150 0.000 0.931 517 Q CB -0.022 28.807 28.738 0.150 0.000 1.086 517 Q HN 0.657 nan 8.270 nan 0.000 0.528 518 F N 2.506 122.523 119.950 0.111 0.000 2.519 518 F HA 0.167 4.734 4.527 0.067 0.000 0.375 518 F C -0.072 175.889 175.800 0.268 0.000 1.084 518 F CA 0.441 58.584 58.000 0.238 0.000 1.147 518 F CB 0.197 39.306 39.000 0.182 0.000 1.088 518 F HN -0.161 nan 8.300 nan 0.000 0.555 519 R N 4.777 125.357 120.500 0.135 0.000 2.668 519 R HA 0.351 4.732 4.340 0.069 0.000 0.272 519 R C -1.273 174.856 176.300 -0.285 0.000 1.019 519 R CA -1.219 54.841 56.100 -0.067 0.000 0.894 519 R CB 1.610 31.835 30.300 -0.125 0.000 1.228 519 R HN 0.416 nan 8.270 nan 0.000 0.460 520 L N 3.485 124.274 121.223 -0.724 0.000 2.474 520 L HA 0.301 4.683 4.340 0.069 0.000 0.259 520 L C -1.761 174.869 176.870 -0.401 0.000 1.232 520 L CA -1.189 53.178 54.840 -0.788 0.000 0.821 520 L CB -0.224 41.344 42.059 -0.819 0.000 1.108 520 L HN 0.471 nan 8.230 nan 0.000 0.495 521 P HA 0.134 nan 4.420 nan 0.000 0.281 521 P C 0.397 177.495 177.300 -0.335 0.000 1.249 521 P CA -0.243 62.657 63.100 -0.333 0.000 0.810 521 P CB 0.514 31.886 31.700 -0.547 0.000 1.008 522 F N 0.518 120.438 119.950 -0.049 0.000 2.069 522 F HA -0.142 4.426 4.527 0.070 0.000 0.298 522 F C 1.590 177.356 175.800 -0.058 0.000 1.113 522 F CA 1.488 59.462 58.000 -0.043 0.000 1.214 522 F CB -0.965 38.025 39.000 -0.017 0.000 0.978 522 F HN 0.232 nan 8.300 nan 0.000 0.474 523 K N 1.318 121.787 120.400 0.115 0.000 2.316 523 K HA 0.240 4.601 4.320 0.069 0.000 0.289 523 K C 0.954 177.535 176.600 -0.031 0.000 1.070 523 K CA 0.539 56.846 56.287 0.033 0.000 0.928 523 K CB 1.022 33.532 32.500 0.016 0.000 1.039 523 K HN 0.153 nan 8.250 nan 0.000 0.480 524 S N 1.610 117.296 115.700 -0.024 0.000 2.488 524 S HA -0.194 4.317 4.470 0.069 0.000 0.246 524 S C 1.519 176.089 174.600 -0.051 0.000 0.992 524 S CA 1.468 59.642 58.200 -0.042 0.000 0.963 524 S CB -0.804 62.382 63.200 -0.025 0.000 0.754 524 S HN 0.822 nan 8.310 nan 0.000 0.519 525 T N -2.124 112.401 114.554 -0.048 0.000 3.081 525 T HA 0.150 4.541 4.350 0.069 0.000 0.250 525 T C 0.634 175.297 174.700 -0.062 0.000 1.100 525 T CA 0.037 62.110 62.100 -0.045 0.000 1.038 525 T CB -0.516 68.332 68.868 -0.033 0.000 0.962 525 T HN 0.273 nan 8.240 nan 0.000 0.516 526 T N 4.574 119.069 114.554 -0.099 0.000 2.919 526 T HA 0.338 4.729 4.350 0.069 0.000 0.302 526 T C -2.589 172.043 174.700 -0.113 0.000 1.031 526 T CA -0.828 61.190 62.100 -0.137 0.000 1.127 526 T CB 0.955 69.661 68.868 -0.269 0.000 0.952 526 T HN 0.154 nan 8.240 nan 0.000 0.540 527 P HA 0.301 nan 4.420 nan 0.000 0.276 527 P C -0.908 176.387 177.300 -0.008 0.000 1.230 527 P CA -0.521 62.559 63.100 -0.033 0.000 0.776 527 P CB 0.583 32.265 31.700 -0.029 0.000 0.888 528 V N 1.653 121.591 119.914 0.039 0.000 2.604 528 V HA 0.625 4.787 4.120 0.069 0.000 0.305 528 V C -0.660 175.508 176.094 0.122 0.000 1.043 528 V CA -0.738 61.642 62.300 0.133 0.000 0.888 528 V CB 1.767 33.671 31.823 0.135 0.000 0.995 528 V HN 0.297 nan 8.190 nan 0.000 0.429 529 I N 5.507 126.165 120.570 0.146 0.000 2.382 529 I HA 0.506 4.718 4.170 0.069 0.000 0.286 529 I C -0.301 175.859 176.117 0.072 0.000 1.002 529 I CA -0.459 60.914 61.300 0.121 0.000 1.135 529 I CB 1.869 39.928 38.000 0.099 0.000 1.288 529 I HN 0.553 nan 8.210 nan 0.000 0.448 530 M N 6.957 126.518 119.600 -0.064 0.000 2.072 530 M HA 0.412 4.934 4.480 0.069 0.000 0.331 530 M C -0.907 175.187 176.300 -0.344 0.000 1.004 530 M CA -0.731 54.248 55.300 -0.535 0.000 0.952 530 M CB 1.859 33.819 32.600 -1.066 0.000 1.511 530 M HN 0.205 nan 8.290 nan 0.000 0.422 531 V N 2.569 122.393 119.914 -0.150 0.000 2.277 531 V HA 0.606 4.767 4.120 0.069 0.000 0.269 531 V C 0.502 176.773 176.094 0.296 0.000 1.036 531 V CA -0.494 61.863 62.300 0.095 0.000 0.821 531 V CB 0.932 32.802 31.823 0.077 0.000 1.052 531 V HN 1.032 nan 8.190 nan 0.000 0.462 532 G N 5.836 114.860 108.800 0.372 0.000 3.712 532 G HA2 0.558 4.560 3.960 0.069 0.000 0.327 532 G HA3 0.558 4.560 3.960 0.069 0.000 0.327 532 G C -3.032 172.082 174.900 0.358 0.000 1.566 532 G CA -1.343 44.056 45.100 0.499 0.000 0.953 532 G HN 0.474 nan 8.290 nan 0.000 0.488 533 P HA 0.329 nan 4.420 nan 0.000 0.271 533 P C 1.222 178.579 177.300 0.096 0.000 1.216 533 P CA 1.224 64.344 63.100 0.033 0.000 0.776 533 P CB 1.347 32.996 31.700 -0.085 0.000 0.881 534 G N 2.643 111.493 108.800 0.084 0.000 2.582 534 G HA2 -0.337 3.665 3.960 0.069 0.000 0.288 534 G HA3 -0.337 3.665 3.960 0.069 0.000 0.288 534 G C 1.161 176.225 174.900 0.273 0.000 1.247 534 G CA 0.786 45.993 45.100 0.178 0.000 0.972 534 G HN 0.619 nan 8.290 nan 0.000 0.557 535 T N -1.040 113.604 114.554 0.149 0.000 3.077 535 T HA 0.224 4.615 4.350 0.069 0.000 0.269 535 T C 2.278 177.030 174.700 0.088 0.000 1.146 535 T CA 1.509 63.684 62.100 0.125 0.000 1.091 535 T CB -0.430 68.488 68.868 0.084 0.000 0.892 535 T HN 1.845 nan 8.240 nan 0.000 0.533 536 G N 0.972 109.825 108.800 0.087 0.000 2.708 536 G HA2 0.053 4.054 3.960 0.069 0.000 0.210 536 G HA3 0.053 4.054 3.960 0.069 0.000 0.210 536 G C 1.178 176.090 174.900 0.020 0.000 1.141 536 G CA 0.089 45.202 45.100 0.021 0.000 0.788 536 G HN 0.639 nan 8.290 nan 0.000 0.531 537 I N 0.010 120.662 120.570 0.137 0.000 3.578 537 I HA 0.189 4.401 4.170 0.069 0.000 0.295 537 I C 2.672 178.793 176.117 0.006 0.000 1.280 537 I CA 0.531 61.938 61.300 0.178 0.000 1.347 537 I CB 0.067 38.171 38.000 0.173 0.000 1.051 537 I HN 0.209 nan 8.210 nan 0.000 0.460 538 A N 3.085 125.888 122.820 -0.029 0.000 1.863 538 A HA -0.201 4.160 4.320 0.069 0.000 0.218 538 A C 0.027 177.521 177.584 -0.149 0.000 1.233 538 A CA 2.430 54.451 52.037 -0.027 0.000 0.655 538 A CB -2.335 16.657 19.000 -0.014 0.000 0.839 538 A HN 0.385 nan 8.150 nan 0.000 0.454 539 P HA -0.154 nan 4.420 nan 0.000 0.216 539 P C 1.119 178.169 177.300 -0.418 0.000 1.150 539 P CA 1.266 64.131 63.100 -0.392 0.000 0.837 539 P CB -0.329 31.016 31.700 -0.592 0.000 0.786 540 F N -0.696 119.078 119.950 -0.294 0.000 2.333 540 F HA -0.064 4.503 4.527 0.067 0.000 0.300 540 F C 2.555 178.289 175.800 -0.110 0.000 1.083 540 F CA 0.663 58.495 58.000 -0.280 0.000 1.395 540 F CB -1.424 37.472 39.000 -0.174 0.000 1.056 540 F HN -0.162 nan 8.300 nan 0.000 0.529 541 M N -0.119 119.497 119.600 0.026 0.000 2.175 541 M HA -0.037 4.484 4.480 0.069 0.000 0.264 541 M C 2.566 178.876 176.300 0.016 0.000 1.063 541 M CA 1.436 56.705 55.300 -0.052 0.000 1.119 541 M CB -1.953 30.509 32.600 -0.230 0.000 1.377 541 M HN 0.225 nan 8.290 nan 0.000 0.415 542 G N -0.694 108.154 108.800 0.081 0.000 2.404 542 G HA2 -0.182 3.819 3.960 0.069 0.000 0.215 542 G HA3 -0.182 3.819 3.960 0.069 0.000 0.215 542 G C 1.318 176.352 174.900 0.223 0.000 1.174 542 G CA 0.218 45.410 45.100 0.153 0.000 0.780 542 G HN 0.238 nan 8.290 nan 0.000 0.537 543 F N 1.199 121.139 119.950 -0.018 0.000 2.091 543 F HA -0.027 4.539 4.527 0.066 0.000 0.299 543 F C 2.675 178.402 175.800 -0.123 0.000 1.103 543 F CA 0.550 58.514 58.000 -0.060 0.000 1.228 543 F CB -0.680 38.316 39.000 -0.006 0.000 0.984 543 F HN 0.073 nan 8.300 nan 0.000 0.477 544 I N -0.718 119.870 120.570 0.028 0.000 2.163 544 I HA -0.312 3.899 4.170 0.069 0.000 0.240 544 I C 2.430 178.310 176.117 -0.396 0.000 1.081 544 I CA 1.191 62.319 61.300 -0.287 0.000 1.353 544 I CB -0.691 36.993 38.000 -0.527 0.000 1.054 544 I HN 0.140 nan 8.210 nan 0.000 0.407 545 Q N 0.367 120.003 119.800 -0.273 0.000 2.173 545 Q HA -0.319 4.062 4.340 0.069 0.000 0.208 545 Q C 2.130 178.161 176.000 0.051 0.000 0.989 545 Q CA 2.245 58.046 55.803 -0.004 0.000 0.872 545 Q CB -0.110 28.712 28.738 0.140 0.000 0.909 545 Q HN 0.475 nan 8.270 nan 0.000 0.420 546 E N -0.047 120.156 120.200 0.005 0.000 2.072 546 E HA -0.130 4.261 4.350 0.069 0.000 0.190 546 E C 1.936 178.609 176.600 0.121 0.000 0.982 546 E CA 0.561 56.978 56.400 0.029 0.000 0.803 546 E CB 0.196 29.854 29.700 -0.070 0.000 0.755 546 E HN 0.183 nan 8.360 nan 0.000 0.453 547 R N 0.026 120.536 120.500 0.017 0.000 2.092 547 R HA -0.047 4.334 4.340 0.069 0.000 0.231 547 R C 2.361 178.698 176.300 0.063 0.000 1.119 547 R CA 0.906 57.017 56.100 0.019 0.000 0.970 547 R CB -0.284 29.990 30.300 -0.043 0.000 0.864 547 R HN 0.173 nan 8.270 nan 0.000 0.440 548 A N 0.412 123.267 122.820 0.058 0.000 1.978 548 A HA -0.211 4.150 4.320 0.069 0.000 0.220 548 A C 1.839 179.543 177.584 0.200 0.000 1.170 548 A CA 1.193 53.314 52.037 0.140 0.000 0.636 548 A CB -0.696 18.457 19.000 0.255 0.000 0.810 548 A HN 0.562 nan 8.150 nan 0.000 0.448 549 W N 0.477 121.788 121.300 0.018 0.000 2.407 549 W HA -0.057 4.643 4.660 0.066 0.000 0.305 549 W C 1.656 178.169 176.519 -0.010 0.000 1.196 549 W CA 1.613 58.963 57.345 0.008 0.000 1.311 549 W CB -0.365 29.091 29.460 -0.007 0.000 1.135 549 W HN 0.220 nan 8.180 nan 0.000 0.514 550 L N 0.612 121.923 121.223 0.147 0.000 2.447 550 L HA -0.170 4.211 4.340 0.069 0.000 0.225 550 L C 2.301 179.097 176.870 -0.123 0.000 1.148 550 L CA 1.165 55.971 54.840 -0.056 0.000 0.808 550 L CB -0.633 41.452 42.059 0.043 0.000 0.928 550 L HN 0.046 nan 8.230 nan 0.000 0.448 551 R N -0.477 119.980 120.500 -0.073 0.000 2.103 551 R HA -0.001 4.380 4.340 0.069 0.000 0.212 551 R C 2.043 178.284 176.300 -0.098 0.000 1.107 551 R CA 0.399 56.460 56.100 -0.064 0.000 1.025 551 R CB 0.059 30.354 30.300 -0.007 0.000 0.929 551 R HN 0.300 nan 8.270 nan 0.000 0.456 552 E N 0.540 120.681 120.200 -0.098 0.000 2.265 552 E HA -0.217 4.174 4.350 0.069 0.000 0.196 552 E C 1.385 177.852 176.600 -0.223 0.000 0.996 552 E CA 0.824 57.157 56.400 -0.110 0.000 0.832 552 E CB 0.093 29.761 29.700 -0.053 0.000 0.756 552 E HN 0.097 nan 8.360 nan 0.000 0.491 553 Q N -0.652 118.920 119.800 -0.380 0.000 2.365 553 Q HA 0.073 4.454 4.340 0.069 0.000 0.203 553 Q C 0.964 176.786 176.000 -0.296 0.000 0.929 553 Q CA 0.691 56.205 55.803 -0.482 0.000 0.948 553 Q CB 0.364 28.544 28.738 -0.931 0.000 1.043 553 Q HN 0.352 nan 8.270 nan 0.000 0.505 554 G N -0.245 108.438 108.800 -0.196 0.000 2.253 554 G HA2 -0.323 3.679 3.960 0.069 0.000 0.251 554 G HA3 -0.323 3.679 3.960 0.069 0.000 0.251 554 G C 0.155 174.985 174.900 -0.116 0.000 0.998 554 G CA 0.317 45.337 45.100 -0.133 0.000 0.621 554 G HN 0.343 nan 8.290 nan 0.000 0.524 555 K N 0.942 121.257 120.400 -0.142 0.000 2.230 555 K HA 0.325 4.687 4.320 0.069 0.000 0.253 555 K C 0.267 176.825 176.600 -0.070 0.000 1.008 555 K CA -0.115 56.111 56.287 -0.102 0.000 0.910 555 K CB 0.679 33.115 32.500 -0.108 0.000 0.994 555 K HN 0.368 nan 8.250 nan 0.000 0.495 556 E N 1.927 122.097 120.200 -0.050 0.000 2.115 556 E HA 0.170 4.561 4.350 0.069 0.000 0.282 556 E C -1.322 175.259 176.600 -0.032 0.000 0.987 556 E CA -0.541 55.837 56.400 -0.036 0.000 0.797 556 E CB 0.989 30.672 29.700 -0.029 0.000 1.086 556 E HN 0.168 nan 8.360 nan 0.000 0.397 557 V N 4.090 123.989 119.914 -0.025 0.000 2.459 557 V HA 0.422 4.584 4.120 0.069 0.000 0.295 557 V C 0.965 177.051 176.094 -0.014 0.000 1.029 557 V CA -0.594 61.692 62.300 -0.022 0.000 0.874 557 V CB 1.505 33.318 31.823 -0.017 0.000 0.985 557 V HN 0.818 nan 8.190 nan 0.000 0.438 558 G N 2.951 111.739 108.800 -0.020 0.000 2.570 558 G HA2 0.257 4.259 3.960 0.069 0.000 0.276 558 G HA3 0.257 4.259 3.960 0.069 0.000 0.276 558 G C -0.074 174.831 174.900 0.008 0.000 1.346 558 G CA -0.504 44.590 45.100 -0.010 0.000 1.034 558 G HN 0.733 nan 8.290 nan 0.000 0.512 559 E N -0.566 119.650 120.200 0.027 0.000 2.413 559 E HA 0.208 4.599 4.350 0.069 0.000 0.263 559 E C -0.431 176.194 176.600 0.042 0.000 1.015 559 E CA 0.660 57.093 56.400 0.055 0.000 0.916 559 E CB 0.518 30.279 29.700 0.101 0.000 0.947 559 E HN 0.214 nan 8.360 nan 0.000 0.440 560 T N 3.997 118.579 114.554 0.048 0.000 2.864 560 T HA 0.405 4.796 4.350 0.069 0.000 0.299 560 T C -0.312 174.413 174.700 0.042 0.000 1.011 560 T CA -0.598 61.521 62.100 0.031 0.000 0.975 560 T CB 0.304 69.175 68.868 0.005 0.000 0.962 560 T HN 0.210 nan 8.240 nan 0.000 0.448 561 L N 3.723 124.974 121.223 0.047 0.000 2.365 561 L HA 0.704 5.085 4.340 0.069 0.000 0.273 561 L C -0.978 175.886 176.870 -0.010 0.000 1.000 561 L CA -1.296 53.565 54.840 0.035 0.000 0.819 561 L CB 1.981 44.122 42.059 0.136 0.000 1.284 561 L HN 0.386 nan 8.230 nan 0.000 0.418 562 L N 2.692 123.849 121.223 -0.109 0.000 2.346 562 L HA 0.503 4.884 4.340 0.069 0.000 0.276 562 L C -1.558 175.178 176.870 -0.223 0.000 1.006 562 L CA -0.072 54.700 54.840 -0.113 0.000 0.817 562 L CB 1.510 43.519 42.059 -0.084 0.000 1.272 562 L HN 0.291 nan 8.230 nan 0.000 0.421 563 Y N 5.434 125.708 120.300 -0.043 0.000 2.686 563 Y HA 0.397 4.989 4.550 0.069 0.000 0.331 563 Y C -0.920 175.002 175.900 0.038 0.000 0.996 563 Y CA -0.308 57.779 58.100 -0.023 0.000 1.293 563 Y CB 0.867 39.299 38.460 -0.047 0.000 1.092 563 Y HN 0.592 nan 8.280 nan 0.000 0.524 564 Y N 1.641 121.910 120.300 -0.052 0.000 2.496 564 Y HA 0.881 5.475 4.550 0.074 0.000 0.331 564 Y C -0.100 175.706 175.900 -0.158 0.000 1.140 564 Y CA -1.409 56.652 58.100 -0.064 0.000 1.166 564 Y CB 1.929 40.344 38.460 -0.076 0.000 1.249 564 Y HN 0.527 nan 8.280 nan 0.000 0.479 565 G N 1.372 109.491 108.800 -1.134 0.000 2.733 565 G HA2 0.590 4.592 3.960 0.069 0.000 0.297 565 G HA3 0.590 4.592 3.960 0.069 0.000 0.297 565 G C -1.568 172.695 174.900 -1.061 0.000 1.422 565 G CA -0.328 44.201 45.100 -0.950 0.000 0.942 565 G HN 1.209 nan 8.290 nan 0.000 0.510 566 C N -0.047 118.863 119.300 -0.650 0.000 3.292 566 C HA 0.697 5.198 4.460 0.069 0.000 0.369 566 C C 1.322 176.276 174.990 -0.060 0.000 1.664 566 C CA -0.841 58.003 59.018 -0.290 0.000 1.204 566 C CB 1.069 28.709 27.740 -0.167 0.000 1.978 566 C HN 0.854 nan 8.230 nan 0.000 0.435 567 R N 0.314 120.841 120.500 0.044 0.000 2.055 567 R HA 0.270 4.651 4.340 0.069 0.000 0.226 567 R C 0.382 176.766 176.300 0.140 0.000 1.135 567 R CA 0.914 57.063 56.100 0.083 0.000 0.959 567 R CB 0.023 30.362 30.300 0.065 0.000 0.854 567 R HN 0.646 nan 8.270 nan 0.000 0.431 568 R N -1.263 119.338 120.500 0.169 0.000 2.680 568 R HA 0.125 4.506 4.340 0.069 0.000 0.269 568 R C 0.524 176.904 176.300 0.132 0.000 1.026 568 R CA -0.179 55.986 56.100 0.108 0.000 0.889 568 R CB 1.857 32.165 30.300 0.014 0.000 1.241 568 R HN 0.073 nan 8.270 nan 0.000 0.463 569 S N -0.450 115.159 115.700 -0.152 0.000 2.474 569 S HA -0.160 4.351 4.470 0.069 0.000 0.235 569 S C 0.834 175.511 174.600 0.129 0.000 0.997 569 S CA 1.519 59.790 58.200 0.118 0.000 0.949 569 S CB -0.354 62.742 63.200 -0.173 0.000 0.766 569 S HN 0.784 nan 8.310 nan 0.000 0.517 570 D N -0.069 120.344 120.400 0.021 0.000 2.388 570 D HA 0.284 4.966 4.640 0.069 0.000 0.221 570 D C 1.082 177.407 176.300 0.041 0.000 1.133 570 D CA -0.103 53.910 54.000 0.021 0.000 0.831 570 D CB 0.228 41.017 40.800 -0.018 0.000 0.962 570 D HN 0.397 nan 8.370 nan 0.000 0.502 571 E N 0.663 120.910 120.200 0.077 0.000 2.756 571 E HA 0.042 4.433 4.350 0.069 0.000 0.192 571 E C -0.216 176.438 176.600 0.089 0.000 1.022 571 E CA 0.827 57.268 56.400 0.070 0.000 1.224 571 E CB 0.350 30.087 29.700 0.061 0.000 1.252 571 E HN 0.162 nan 8.360 nan 0.000 0.494 572 D N -0.728 119.754 120.400 0.135 0.000 2.760 572 D HA 0.028 4.709 4.640 0.069 0.000 0.314 572 D C -0.857 175.600 176.300 0.261 0.000 1.464 572 D CA -0.564 53.521 54.000 0.142 0.000 0.797 572 D CB -0.958 39.899 40.800 0.096 0.000 1.149 572 D HN 0.061 nan 8.370 nan 0.000 0.455 573 Y N 2.297 122.709 120.300 0.186 0.000 2.730 573 Y HA 0.202 4.795 4.550 0.071 0.000 0.354 573 Y C -0.056 175.951 175.900 0.179 0.000 1.139 573 Y CA -0.959 57.331 58.100 0.316 0.000 1.516 573 Y CB -0.068 38.578 38.460 0.309 0.000 1.204 573 Y HN 0.107 nan 8.280 nan 0.000 0.520 574 L N 7.281 128.775 121.223 0.452 0.000 2.410 574 L HA 0.004 4.385 4.340 0.069 0.000 0.273 574 L C -0.094 176.795 176.870 0.031 0.000 1.152 574 L CA -0.484 54.368 54.840 0.021 0.000 0.855 574 L CB -0.057 41.954 42.059 -0.080 0.000 1.129 574 L HN 0.670 nan 8.230 nan 0.000 0.463 575 Y N 1.092 121.417 120.300 0.043 0.000 3.389 575 Y HA -0.267 4.320 4.550 0.062 0.000 0.213 575 Y C 1.761 177.644 175.900 -0.029 0.000 1.272 575 Y CA 0.726 58.820 58.100 -0.011 0.000 1.444 575 Y CB -1.680 36.782 38.460 0.005 0.000 1.445 575 Y HN 0.608 nan 8.280 nan 0.000 0.583 576 R N 0.574 121.043 120.500 -0.051 0.000 2.083 576 R HA -0.226 4.155 4.340 0.069 0.000 0.237 576 R C 1.471 177.634 176.300 -0.229 0.000 1.137 576 R CA 2.341 58.175 56.100 -0.443 0.000 0.951 576 R CB 0.163 30.051 30.300 -0.687 0.000 0.851 576 R HN 0.520 nan 8.270 nan 0.000 0.434 577 E N 0.476 120.600 120.200 -0.127 0.000 2.016 577 E HA -0.168 4.224 4.350 0.069 0.000 0.190 577 E C 1.970 178.529 176.600 -0.068 0.000 0.985 577 E CA 1.669 58.015 56.400 -0.090 0.000 0.802 577 E CB -0.184 29.468 29.700 -0.079 0.000 0.762 577 E HN 0.426 nan 8.360 nan 0.000 0.448 578 E N 1.011 121.182 120.200 -0.048 0.000 2.058 578 E HA -0.211 4.181 4.350 0.069 0.000 0.194 578 E C 2.270 178.814 176.600 -0.093 0.000 0.997 578 E CA 0.973 57.290 56.400 -0.138 0.000 0.801 578 E CB -0.720 28.933 29.700 -0.078 0.000 0.746 578 E HN 0.289 nan 8.360 nan 0.000 0.450 579 L N 0.770 122.066 121.223 0.121 0.000 2.187 579 L HA -0.136 4.245 4.340 0.069 0.000 0.213 579 L C 2.608 179.597 176.870 0.197 0.000 1.100 579 L CA 1.027 56.020 54.840 0.255 0.000 0.765 579 L CB -0.437 41.769 42.059 0.245 0.000 0.904 579 L HN 0.156 nan 8.230 nan 0.000 0.437 580 A N -0.038 122.836 122.820 0.090 0.000 1.898 580 A HA -0.194 4.168 4.320 0.069 0.000 0.214 580 A C 2.319 179.966 177.584 0.105 0.000 1.183 580 A CA 1.338 53.438 52.037 0.106 0.000 0.622 580 A CB -0.350 18.669 19.000 0.031 0.000 0.824 580 A HN 0.286 nan 8.150 nan 0.000 0.444 581 R N -0.629 119.865 120.500 -0.011 0.000 2.073 581 R HA -0.105 4.276 4.340 0.069 0.000 0.234 581 R C 1.444 177.764 176.300 0.032 0.000 1.134 581 R CA 1.860 57.919 56.100 -0.068 0.000 0.952 581 R CB -0.958 29.200 30.300 -0.237 0.000 0.850 581 R HN 0.388 nan 8.270 nan 0.000 0.433 582 F N -0.324 119.681 119.950 0.091 0.000 2.494 582 F HA -0.069 4.502 4.527 0.073 0.000 0.298 582 F C 2.052 177.944 175.800 0.153 0.000 1.106 582 F CA 1.395 59.456 58.000 0.101 0.000 1.452 582 F CB -0.515 38.539 39.000 0.090 0.000 1.085 582 F HN 0.284 nan 8.300 nan 0.000 0.569 583 H N -0.140 119.054 119.070 0.206 0.000 2.439 583 H HA 0.103 4.699 4.556 0.067 0.000 0.299 583 H C 1.952 177.335 175.328 0.092 0.000 1.033 583 H CA 1.109 57.236 56.048 0.133 0.000 1.348 583 H CB 0.024 29.854 29.762 0.114 0.000 1.449 583 H HN 0.088 nan 8.280 nan 0.000 0.544 584 K N 0.098 120.549 120.400 0.086 0.000 2.589 584 K HA -0.047 4.315 4.320 0.069 0.000 0.192 584 K C -0.132 176.471 176.600 0.005 0.000 1.029 584 K CA 0.973 57.256 56.287 -0.007 0.000 1.031 584 K CB 0.262 32.771 32.500 0.015 0.000 0.821 584 K HN 0.245 nan 8.250 nan 0.000 0.502 585 D N -1.210 119.220 120.400 0.050 0.000 2.520 585 D HA 0.139 4.821 4.640 0.069 0.000 0.223 585 D C 0.623 176.961 176.300 0.064 0.000 1.186 585 D CA 0.610 54.646 54.000 0.060 0.000 0.821 585 D CB 1.165 42.024 40.800 0.099 0.000 1.072 585 D HN 0.259 nan 8.370 nan 0.000 0.518 586 G N 1.195 110.027 108.800 0.054 0.000 2.148 586 G HA2 -0.343 3.658 3.960 0.069 0.000 0.254 586 G HA3 -0.343 3.658 3.960 0.069 0.000 0.254 586 G C 1.261 176.214 174.900 0.089 0.000 0.981 586 G CA 0.642 45.772 45.100 0.050 0.000 0.670 586 G HN 0.483 nan 8.290 nan 0.000 0.528 587 A N -1.265 121.638 122.820 0.139 0.000 2.014 587 A HA 0.545 4.906 4.320 0.069 0.000 0.218 587 A C 1.077 178.707 177.584 0.077 0.000 1.163 587 A CA 1.328 53.431 52.037 0.109 0.000 0.652 587 A CB 0.120 19.224 19.000 0.173 0.000 0.808 587 A HN 0.885 nan 8.150 nan 0.000 0.449 588 L N 0.523 121.840 121.223 0.157 0.000 2.313 588 L HA 0.314 4.695 4.340 0.069 0.000 0.273 588 L C 1.220 178.230 176.870 0.233 0.000 1.028 588 L CA 0.200 55.135 54.840 0.160 0.000 0.871 588 L CB 0.796 42.971 42.059 0.193 0.000 1.242 588 L HN 0.234 nan 8.230 nan 0.000 0.434 589 T N 1.292 115.930 114.554 0.139 0.000 2.624 589 T HA -0.171 4.221 4.350 0.069 0.000 0.268 589 T C 0.603 175.427 174.700 0.206 0.000 1.041 589 T CA 1.582 63.762 62.100 0.135 0.000 1.159 589 T CB -0.076 68.855 68.868 0.105 0.000 0.863 589 T HN 0.494 nan 8.240 nan 0.000 0.434 590 Q N 0.028 119.913 119.800 0.140 0.000 2.356 590 Q HA 0.562 4.943 4.340 0.069 0.000 0.270 590 Q C -1.683 174.230 176.000 -0.144 0.000 1.058 590 Q CA -0.704 55.139 55.803 0.067 0.000 0.802 590 Q CB 2.331 31.060 28.738 -0.015 0.000 1.303 590 Q HN 0.128 nan 8.270 nan 0.000 0.444 591 L N 3.122 124.129 121.223 -0.360 0.000 2.445 591 L HA 0.399 4.780 4.340 0.069 0.000 0.252 591 L C -1.528 175.173 176.870 -0.283 0.000 1.105 591 L CA -0.092 54.512 54.840 -0.393 0.000 0.943 591 L CB 0.374 42.047 42.059 -0.643 0.000 1.277 591 L HN 0.499 nan 8.230 nan 0.000 0.465 592 N N 2.987 121.481 118.700 -0.343 0.000 2.521 592 N HA 0.378 5.159 4.740 0.069 0.000 0.236 592 N C -0.850 174.501 175.510 -0.265 0.000 1.067 592 N CA -0.371 52.474 53.050 -0.341 0.000 0.939 592 N CB 1.236 39.365 38.487 -0.597 0.000 1.201 592 N HN 0.291 nan 8.380 nan 0.000 0.511 593 V N 1.200 120.964 119.914 -0.249 0.000 2.481 593 V HA 0.637 4.798 4.120 0.069 0.000 0.286 593 V C 0.287 176.031 176.094 -0.584 0.000 1.042 593 V CA -0.924 61.108 62.300 -0.447 0.000 0.928 593 V CB 1.340 32.770 31.823 -0.655 0.000 0.986 593 V HN 0.603 nan 8.190 nan 0.000 0.462 594 A N 4.692 127.147 122.820 -0.608 0.000 2.328 594 A HA 0.733 5.095 4.320 0.069 0.000 0.318 594 A C -0.740 176.554 177.584 -0.484 0.000 1.347 594 A CA -0.400 51.391 52.037 -0.409 0.000 0.842 594 A CB -0.102 18.812 19.000 -0.144 0.000 1.148 594 A HN 0.606 nan 8.150 nan 0.000 0.499 595 F N 2.658 122.556 119.950 -0.087 0.000 2.464 595 F HA 0.136 4.704 4.527 0.067 0.000 0.353 595 F C 1.871 177.638 175.800 -0.055 0.000 1.191 595 F CA 0.251 58.199 58.000 -0.086 0.000 1.147 595 F CB 0.512 39.476 39.000 -0.060 0.000 1.294 595 F HN 0.684 nan 8.300 nan 0.000 0.583 596 S N 2.298 118.050 115.700 0.085 0.000 2.469 596 S HA -0.120 4.392 4.470 0.069 0.000 0.238 596 S C 1.269 175.886 174.600 0.028 0.000 0.998 596 S CA 0.744 58.985 58.200 0.068 0.000 0.957 596 S CB -0.185 63.128 63.200 0.189 0.000 0.764 596 S HN 0.684 nan 8.310 nan 0.000 0.514 597 R N -0.027 120.505 120.500 0.052 0.000 2.690 597 R HA 0.344 4.725 4.340 0.069 0.000 0.419 597 R C 0.226 176.519 176.300 -0.012 0.000 1.090 597 R CA -0.050 56.055 56.100 0.009 0.000 1.064 597 R CB 0.317 30.631 30.300 0.025 0.000 1.391 597 R HN 0.429 nan 8.270 nan 0.000 0.586 598 E N 1.263 121.456 120.200 -0.011 0.000 2.474 598 E HA -0.005 4.386 4.350 0.069 0.000 0.195 598 E C 0.162 176.710 176.600 -0.087 0.000 1.039 598 E CA 0.251 56.625 56.400 -0.044 0.000 0.881 598 E CB 0.592 30.267 29.700 -0.042 0.000 0.970 598 E HN 0.202 nan 8.360 nan 0.000 0.486 599 Q N -1.679 118.032 119.800 -0.149 0.000 2.462 599 Q HA 0.434 4.815 4.340 0.069 0.000 0.285 599 Q C 0.271 176.107 176.000 -0.274 0.000 1.035 599 Q CA -0.282 55.375 55.803 -0.244 0.000 0.799 599 Q CB 1.044 29.536 28.738 -0.410 0.000 1.452 599 Q HN -0.071 nan 8.270 nan 0.000 0.404 600 A N 1.097 123.785 122.820 -0.220 0.000 1.948 600 A HA -0.170 4.192 4.320 0.069 0.000 0.220 600 A C 0.675 178.191 177.584 -0.114 0.000 1.177 600 A CA 2.187 54.151 52.037 -0.121 0.000 0.636 600 A CB -1.197 17.779 19.000 -0.040 0.000 0.815 600 A HN 0.878 nan 8.150 nan 0.000 0.449 601 H N -1.644 117.390 119.070 -0.060 0.000 2.496 601 H HA 0.668 5.266 4.556 0.069 0.000 0.342 601 H C -0.410 174.839 175.328 -0.133 0.000 1.170 601 H CA -1.165 54.827 56.048 -0.094 0.000 1.274 601 H CB 0.566 30.263 29.762 -0.110 0.000 1.538 601 H HN -0.094 nan 8.280 nan 0.000 0.542 602 K N 1.751 122.113 120.400 -0.063 0.000 2.322 602 K HA 0.269 4.630 4.320 0.069 0.000 0.283 602 K C -0.831 175.622 176.600 -0.245 0.000 1.042 602 K CA -0.586 55.520 56.287 -0.301 0.000 0.958 602 K CB 1.715 33.826 32.500 -0.648 0.000 0.984 602 K HN 0.429 nan 8.250 nan 0.000 0.473 603 V N 5.352 125.158 119.914 -0.180 0.000 2.326 603 V HA 0.245 4.406 4.120 0.069 0.000 0.281 603 V C -0.896 175.254 176.094 0.093 0.000 1.015 603 V CA -0.822 61.532 62.300 0.090 0.000 0.823 603 V CB 0.133 32.014 31.823 0.097 0.000 1.009 603 V HN 0.525 nan 8.190 nan 0.000 0.436 604 Y N 2.653 123.063 120.300 0.183 0.000 2.631 604 Y HA 0.463 5.054 4.550 0.069 0.000 0.328 604 Y C 1.393 177.166 175.900 -0.213 0.000 1.118 604 Y CA -0.984 57.016 58.100 -0.167 0.000 1.206 604 Y CB 1.201 39.464 38.460 -0.328 0.000 1.337 604 Y HN 0.355 nan 8.280 nan 0.000 0.515 605 V N -1.099 118.810 119.914 -0.008 0.000 2.324 605 V HA -0.312 3.850 4.120 0.069 0.000 0.250 605 V C 1.513 177.540 176.094 -0.113 0.000 1.060 605 V CA 2.169 64.456 62.300 -0.022 0.000 1.042 605 V CB -0.929 30.881 31.823 -0.022 0.000 0.650 605 V HN 0.824 nan 8.190 nan 0.000 0.450 606 Q N 0.184 119.846 119.800 -0.229 0.000 2.133 606 Q HA -0.215 4.166 4.340 0.069 0.000 0.208 606 Q C 2.234 178.132 176.000 -0.170 0.000 0.991 606 Q CA 2.349 57.988 55.803 -0.274 0.000 0.867 606 Q CB -0.804 27.768 28.738 -0.277 0.000 0.911 606 Q HN 0.821 nan 8.270 nan 0.000 0.417 607 H N -0.051 119.011 119.070 -0.013 0.000 2.387 607 H HA -0.052 4.546 4.556 0.069 0.000 0.299 607 H C 2.034 177.361 175.328 -0.002 0.000 1.090 607 H CA 1.186 57.226 56.048 -0.014 0.000 1.332 607 H CB -0.367 29.395 29.762 0.000 0.000 1.386 607 H HN 0.239 nan 8.280 nan 0.000 0.516 608 L N 0.063 121.373 121.223 0.145 0.000 2.056 608 L HA -0.128 4.253 4.340 0.069 0.000 0.207 608 L C 2.614 179.569 176.870 0.142 0.000 1.078 608 L CA 0.710 55.667 54.840 0.195 0.000 0.749 608 L CB -0.504 41.747 42.059 0.320 0.000 0.901 608 L HN 0.162 nan 8.230 nan 0.000 0.433 609 L N -0.004 121.144 121.223 -0.124 0.000 1.994 609 L HA -0.230 4.151 4.340 0.069 0.000 0.208 609 L C 2.714 179.451 176.870 -0.221 0.000 1.071 609 L CA 1.220 55.816 54.840 -0.407 0.000 0.745 609 L CB -0.528 41.100 42.059 -0.719 0.000 0.892 609 L HN 0.178 nan 8.230 nan 0.000 0.431 610 K N 0.664 120.977 120.400 -0.145 0.000 2.063 610 K HA -0.234 4.127 4.320 0.069 0.000 0.208 610 K C 2.211 178.803 176.600 -0.012 0.000 1.048 610 K CA 1.514 57.758 56.287 -0.072 0.000 0.928 610 K CB -0.261 32.236 32.500 -0.006 0.000 0.713 610 K HN 0.076 nan 8.250 nan 0.000 0.442 611 R N 0.347 120.865 120.500 0.030 0.000 2.080 611 R HA -0.117 4.264 4.340 0.069 0.000 0.236 611 R C 0.311 176.656 176.300 0.074 0.000 1.137 611 R CA 2.062 58.198 56.100 0.060 0.000 0.943 611 R CB -0.279 30.071 30.300 0.085 0.000 0.846 611 R HN 0.237 nan 8.270 nan 0.000 0.431 612 D N 0.913 121.367 120.400 0.090 0.000 2.413 612 D HA -0.024 4.657 4.640 0.069 0.000 0.237 612 D C 1.318 177.647 176.300 0.050 0.000 1.171 612 D CA 0.075 54.150 54.000 0.125 0.000 0.839 612 D CB 0.053 40.993 40.800 0.233 0.000 0.950 612 D HN 0.448 nan 8.370 nan 0.000 0.499 613 R N 0.948 121.428 120.500 -0.034 0.000 2.113 613 R HA -0.262 4.119 4.340 0.069 0.000 0.244 613 R C 1.813 177.860 176.300 -0.423 0.000 1.142 613 R CA 1.375 57.345 56.100 -0.216 0.000 0.953 613 R CB -0.513 29.680 30.300 -0.178 0.000 0.860 613 R HN 0.095 nan 8.270 nan 0.000 0.438 614 E N 0.485 120.609 120.200 -0.127 0.000 2.049 614 E HA -0.281 4.110 4.350 0.069 0.000 0.198 614 E C 2.075 178.782 176.600 0.179 0.000 1.007 614 E CA 1.899 58.368 56.400 0.116 0.000 0.809 614 E CB -0.257 29.696 29.700 0.422 0.000 0.749 614 E HN 0.603 nan 8.360 nan 0.000 0.450 615 H N -0.848 118.280 119.070 0.096 0.000 2.389 615 H HA -0.026 4.571 4.556 0.068 0.000 0.299 615 H C 1.660 177.053 175.328 0.108 0.000 1.081 615 H CA 1.383 57.502 56.048 0.118 0.000 1.345 615 H CB -0.231 29.598 29.762 0.112 0.000 1.393 615 H HN 0.195 nan 8.280 nan 0.000 0.520 616 L N -0.042 121.189 121.223 0.013 0.000 2.131 616 L HA -0.172 4.210 4.340 0.069 0.000 0.210 616 L C 2.330 179.221 176.870 0.035 0.000 1.092 616 L CA 1.412 56.244 54.840 -0.014 0.000 0.759 616 L CB -1.109 40.988 42.059 0.063 0.000 0.903 616 L HN 0.578 nan 8.230 nan 0.000 0.435 617 W N 0.420 121.609 121.300 -0.185 0.000 2.519 617 W HA -0.173 4.528 4.660 0.069 0.000 0.266 617 W C 2.222 178.755 176.519 0.024 0.000 1.253 617 W CA 1.058 58.334 57.345 -0.116 0.000 1.274 617 W CB 0.148 29.433 29.460 -0.293 0.000 1.114 617 W HN 0.234 nan 8.180 nan 0.000 0.596 618 K N 0.416 120.827 120.400 0.018 0.000 2.167 618 K HA -0.162 4.199 4.320 0.069 0.000 0.203 618 K C 1.804 178.324 176.600 -0.133 0.000 1.052 618 K CA 0.945 57.212 56.287 -0.033 0.000 0.956 618 K CB -0.169 32.380 32.500 0.082 0.000 0.735 618 K HN 0.093 nan 8.250 nan 0.000 0.451 619 L N 0.707 121.816 121.223 -0.190 0.000 2.307 619 L HA 0.108 4.489 4.340 0.069 0.000 0.211 619 L C 1.847 178.636 176.870 -0.135 0.000 1.099 619 L CA 0.925 55.667 54.840 -0.164 0.000 0.816 619 L CB 0.029 41.972 42.059 -0.193 0.000 0.952 619 L HN 0.164 nan 8.230 nan 0.000 0.455 620 I N -1.699 118.784 120.570 -0.145 0.000 2.385 620 I HA -0.201 4.010 4.170 0.069 0.000 0.244 620 I C 2.495 178.488 176.117 -0.206 0.000 1.089 620 I CA 0.799 62.022 61.300 -0.128 0.000 1.410 620 I CB -0.233 37.743 38.000 -0.039 0.000 1.117 620 I HN 0.323 nan 8.210 nan 0.000 0.429 621 H N 0.809 119.534 119.070 -0.576 0.000 2.415 621 H HA 0.024 4.621 4.556 0.069 0.000 0.297 621 H C 1.471 176.574 175.328 -0.375 0.000 1.048 621 H CA 1.291 56.932 56.048 -0.679 0.000 1.365 621 H CB 0.646 29.422 29.762 -1.644 0.000 1.421 621 H HN 0.360 nan 8.280 nan 0.000 0.533 622 E N -0.991 119.025 120.200 -0.306 0.000 2.413 622 E HA 0.091 4.482 4.350 0.069 0.000 0.203 622 E C 1.837 178.351 176.600 -0.143 0.000 0.957 622 E CA 0.306 56.587 56.400 -0.199 0.000 0.950 622 E CB 0.665 30.329 29.700 -0.060 0.000 0.957 622 E HN 0.400 nan 8.360 nan 0.000 0.497 623 G N 0.085 108.805 108.800 -0.133 0.000 2.986 623 G HA2 0.162 4.164 3.960 0.069 0.000 0.213 623 G HA3 0.162 4.164 3.960 0.069 0.000 0.213 623 G C 1.050 175.897 174.900 -0.089 0.000 1.156 623 G CA 0.174 45.218 45.100 -0.093 0.000 0.763 623 G HN 0.308 nan 8.290 nan 0.000 0.547 624 G N -0.183 108.554 108.800 -0.105 0.000 2.273 624 G HA2 0.106 4.107 3.960 0.069 0.000 0.280 624 G HA3 0.106 4.107 3.960 0.069 0.000 0.280 624 G C 0.495 175.378 174.900 -0.028 0.000 1.047 624 G CA 0.410 45.470 45.100 -0.067 0.000 0.869 624 G HN 1.258 nan 8.290 nan 0.000 0.502 625 A N -0.204 122.593 122.820 -0.039 0.000 2.351 625 A HA 0.682 5.043 4.320 0.069 0.000 0.257 625 A C 0.365 177.991 177.584 0.070 0.000 1.087 625 A CA -0.281 51.745 52.037 -0.017 0.000 0.798 625 A CB 0.454 19.430 19.000 -0.040 0.000 1.033 625 A HN 0.606 nan 8.150 nan 0.000 0.488 626 H N 0.181 119.187 119.070 -0.106 0.000 2.467 626 H HA 0.462 5.059 4.556 0.069 0.000 0.331 626 H C -0.727 174.400 175.328 -0.335 0.000 1.120 626 H CA -0.478 55.430 56.048 -0.234 0.000 1.270 626 H CB 1.312 30.962 29.762 -0.186 0.000 1.466 626 H HN 0.486 nan 8.280 nan 0.000 0.504 627 I N 3.596 123.862 120.570 -0.507 0.000 2.378 627 I HA 0.154 4.365 4.170 0.069 0.000 0.291 627 I C -1.056 174.602 176.117 -0.765 0.000 0.992 627 I CA -0.540 60.392 61.300 -0.613 0.000 1.154 627 I CB 0.919 38.303 38.000 -1.028 0.000 1.315 627 I HN 0.454 nan 8.210 nan 0.000 0.448 628 Y N 5.109 125.315 120.300 -0.158 0.000 2.350 628 Y HA 0.550 5.144 4.550 0.072 0.000 0.338 628 Y C -0.256 175.810 175.900 0.277 0.000 0.961 628 Y CA -0.881 57.269 58.100 0.084 0.000 1.100 628 Y CB 1.998 40.563 38.460 0.177 0.000 1.179 628 Y HN 0.142 nan 8.280 nan 0.000 0.454 629 V N 3.270 123.516 119.914 0.553 0.000 2.487 629 V HA 0.548 4.710 4.120 0.069 0.000 0.298 629 V C -0.858 175.506 176.094 0.449 0.000 1.028 629 V CA -0.802 61.763 62.300 0.442 0.000 0.860 629 V CB 1.772 33.754 31.823 0.265 0.000 0.991 629 V HN 0.924 nan 8.190 nan 0.000 0.427 630 C N 4.022 123.531 119.300 0.348 0.000 2.701 630 C HA 0.963 5.464 4.460 0.069 0.000 0.336 630 C C 0.544 175.542 174.990 0.013 0.000 1.123 630 C CA 0.728 59.749 59.018 0.005 0.000 1.326 630 C CB 0.647 28.149 27.740 -0.395 0.000 1.833 630 C HN 1.374 nan 8.230 nan 0.000 0.473 631 G N 4.421 113.183 108.800 -0.063 0.000 2.272 631 G HA2 0.167 4.169 3.960 0.069 0.000 0.068 631 G HA3 0.167 4.169 3.960 0.069 0.000 0.068 631 G C -1.304 173.551 174.900 -0.075 0.000 1.073 631 G CA 0.211 45.283 45.100 -0.046 0.000 1.154 631 G HN 0.863 nan 8.290 nan 0.000 0.429 632 D N 1.233 121.584 120.400 -0.081 0.000 2.295 632 D HA 0.669 5.350 4.640 0.069 0.000 0.248 632 D C 1.163 177.381 176.300 -0.138 0.000 1.154 632 D CA 0.821 54.756 54.000 -0.108 0.000 0.857 632 D CB 1.437 42.167 40.800 -0.117 0.000 1.117 632 D HN 0.701 nan 8.370 nan 0.000 0.468 633 A N 4.683 127.397 122.820 -0.176 0.000 1.935 633 A HA -0.048 4.313 4.320 0.069 0.000 0.214 633 A C 2.092 179.526 177.584 -0.250 0.000 1.178 633 A CA 0.608 52.480 52.037 -0.275 0.000 0.640 633 A CB -0.170 18.554 19.000 -0.460 0.000 0.825 633 A HN 0.677 nan 8.150 nan 0.000 0.447 634 R N -0.181 120.206 120.500 -0.188 0.000 2.122 634 R HA -0.224 4.157 4.340 0.069 0.000 0.236 634 R C 1.534 177.753 176.300 -0.135 0.000 1.129 634 R CA 2.278 58.290 56.100 -0.147 0.000 0.925 634 R CB -0.345 29.890 30.300 -0.109 0.000 0.850 634 R HN 0.680 nan 8.270 nan 0.000 0.431 635 N N -1.555 117.064 118.700 -0.136 0.000 2.742 635 N HA 0.035 4.816 4.740 0.069 0.000 0.233 635 N C 1.461 176.884 175.510 -0.145 0.000 1.033 635 N CA -0.008 52.964 53.050 -0.129 0.000 0.993 635 N CB -0.321 38.089 38.487 -0.129 0.000 1.544 635 N HN -0.065 nan 8.380 nan 0.000 0.459 636 M N 1.887 121.379 119.600 -0.179 0.000 2.113 636 M HA -0.187 4.334 4.480 0.069 0.000 0.255 636 M C 1.824 178.053 176.300 -0.119 0.000 1.073 636 M CA 2.101 57.292 55.300 -0.183 0.000 1.091 636 M CB -0.854 31.637 32.600 -0.180 0.000 1.309 636 M HN 0.269 nan 8.290 nan 0.000 0.407 637 A N -0.118 122.642 122.820 -0.100 0.000 1.883 637 A HA -0.255 4.106 4.320 0.069 0.000 0.217 637 A C 2.271 179.820 177.584 -0.059 0.000 1.186 637 A CA 2.321 54.323 52.037 -0.058 0.000 0.624 637 A CB -0.799 18.146 19.000 -0.091 0.000 0.822 637 A HN 0.681 nan 8.150 nan 0.000 0.444 638 K N -0.771 119.575 120.400 -0.090 0.000 2.025 638 K HA -0.182 4.179 4.320 0.069 0.000 0.207 638 K C 1.442 178.003 176.600 -0.064 0.000 1.049 638 K CA 1.590 57.833 56.287 -0.074 0.000 0.933 638 K CB -0.228 32.230 32.500 -0.071 0.000 0.714 638 K HN 0.374 nan 8.250 nan 0.000 0.438 639 D N 0.476 120.830 120.400 -0.076 0.000 2.084 639 D HA -0.149 4.533 4.640 0.069 0.000 0.194 639 D C 1.961 178.202 176.300 -0.098 0.000 0.990 639 D CA 1.166 55.121 54.000 -0.076 0.000 0.826 639 D CB -0.288 40.454 40.800 -0.097 0.000 0.971 639 D HN 0.023 nan 8.370 nan 0.000 0.453 640 V N 0.781 120.633 119.914 -0.104 0.000 2.568 640 V HA -0.244 3.917 4.120 0.069 0.000 0.253 640 V C 2.482 178.544 176.094 -0.054 0.000 1.072 640 V CA 1.535 63.766 62.300 -0.115 0.000 1.084 640 V CB -0.396 31.396 31.823 -0.051 0.000 0.676 640 V HN 0.214 nan 8.190 nan 0.000 0.469 641 Q N -0.308 119.465 119.800 -0.045 0.000 2.033 641 Q HA -0.146 4.235 4.340 0.069 0.000 0.196 641 Q C 2.273 178.012 176.000 -0.436 0.000 0.970 641 Q CA 1.359 57.070 55.803 -0.153 0.000 0.828 641 Q CB -0.044 28.537 28.738 -0.261 0.000 0.895 641 Q HN 0.643 nan 8.270 nan 0.000 0.440 642 N N -0.122 118.424 118.700 -0.256 0.000 2.137 642 N HA -0.156 4.626 4.740 0.069 0.000 0.190 642 N C 1.717 177.234 175.510 0.012 0.000 1.017 642 N CA 1.668 54.708 53.050 -0.017 0.000 0.859 642 N CB -0.611 37.944 38.487 0.114 0.000 1.002 642 N HN 0.190 nan 8.380 nan 0.000 0.428 643 T N 0.815 115.318 114.554 -0.085 0.000 2.684 643 T HA -0.076 4.316 4.350 0.069 0.000 0.267 643 T C 1.573 176.208 174.700 -0.109 0.000 1.036 643 T CA 0.858 62.880 62.100 -0.128 0.000 1.148 643 T CB -0.285 68.419 68.868 -0.273 0.000 0.863 643 T HN 0.090 nan 8.240 nan 0.000 0.436 644 F N 0.330 120.232 119.950 -0.081 0.000 2.171 644 F HA -0.037 4.531 4.527 0.068 0.000 0.300 644 F C 2.015 177.870 175.800 0.092 0.000 1.090 644 F CA 0.593 58.584 58.000 -0.015 0.000 1.293 644 F CB -0.756 38.259 39.000 0.026 0.000 1.013 644 F HN 0.240 nan 8.300 nan 0.000 0.486 645 Y N 0.292 120.744 120.300 0.253 0.000 2.114 645 Y HA -0.215 4.377 4.550 0.070 0.000 0.284 645 Y C 2.346 178.321 175.900 0.126 0.000 1.143 645 Y CA 1.071 59.268 58.100 0.161 0.000 1.135 645 Y CB -1.392 37.152 38.460 0.141 0.000 0.980 645 Y HN 0.012 nan 8.280 nan 0.000 0.499 646 D N -0.110 120.457 120.400 0.279 0.000 2.182 646 D HA -0.167 4.514 4.640 0.069 0.000 0.201 646 D C 2.274 178.621 176.300 0.078 0.000 0.986 646 D CA 1.182 55.273 54.000 0.153 0.000 0.847 646 D CB -0.391 40.464 40.800 0.091 0.000 0.942 646 D HN 0.293 nan 8.370 nan 0.000 0.467 647 I N -0.042 120.563 120.570 0.057 0.000 2.094 647 I HA -0.231 3.981 4.170 0.069 0.000 0.234 647 I C 2.337 178.402 176.117 -0.087 0.000 1.063 647 I CA 0.620 61.900 61.300 -0.035 0.000 1.328 647 I CB -0.365 37.625 38.000 -0.016 0.000 1.058 647 I HN -0.101 nan 8.210 nan 0.000 0.400 648 V N 1.413 121.331 119.914 0.007 0.000 2.317 648 V HA -0.365 3.796 4.120 0.069 0.000 0.251 648 V C 2.648 178.575 176.094 -0.279 0.000 1.065 648 V CA 2.164 64.366 62.300 -0.164 0.000 1.049 648 V CB -1.209 30.612 31.823 -0.004 0.000 0.651 648 V HN 0.566 nan 8.190 nan 0.000 0.450 649 A N -1.155 121.619 122.820 -0.076 0.000 2.125 649 A HA -0.244 4.117 4.320 0.069 0.000 0.219 649 A C 2.294 179.820 177.584 -0.097 0.000 1.156 649 A CA 1.938 53.942 52.037 -0.055 0.000 0.671 649 A CB -0.356 18.684 19.000 0.067 0.000 0.794 649 A HN 0.687 nan 8.150 nan 0.000 0.459 650 E N -1.607 118.540 120.200 -0.089 0.000 2.099 650 E HA 0.071 4.463 4.350 0.069 0.000 0.191 650 E C -0.495 175.978 176.600 -0.212 0.000 0.962 650 E CA -0.190 56.174 56.400 -0.060 0.000 0.826 650 E CB 0.074 29.844 29.700 0.117 0.000 0.788 650 E HN 0.424 nan 8.360 nan 0.000 0.461 651 F N 0.695 120.212 119.950 -0.722 0.000 2.389 651 F HA 0.365 4.934 4.527 0.070 0.000 0.337 651 F C 1.238 176.357 175.800 -1.136 0.000 1.112 651 F CA 0.097 57.458 58.000 -1.065 0.000 1.192 651 F CB 1.042 38.956 39.000 -1.810 0.000 1.185 651 F HN 0.177 nan 8.300 nan 0.000 0.552 652 G N 3.499 112.007 108.800 -0.488 0.000 2.357 652 G HA2 -0.213 3.789 3.960 0.069 0.000 0.282 652 G HA3 -0.213 3.789 3.960 0.069 0.000 0.282 652 G C -2.313 172.447 174.900 -0.234 0.000 0.910 652 G CA -0.828 44.167 45.100 -0.176 0.000 1.267 652 G HN 0.467 nan 8.290 nan 0.000 0.476 653 P HA 0.131 nan 4.420 nan 0.000 0.267 653 P C 0.436 177.685 177.300 -0.084 0.000 1.175 653 P CA 0.933 63.941 63.100 -0.154 0.000 0.763 653 P CB 0.476 32.103 31.700 -0.123 0.000 0.795 654 M N -1.702 117.857 119.600 -0.067 0.000 2.790 654 M HA 0.421 4.942 4.480 0.069 0.000 0.272 654 M C -0.719 175.575 176.300 -0.011 0.000 1.168 654 M CA -1.161 54.125 55.300 -0.023 0.000 0.829 654 M CB 1.473 34.070 32.600 -0.005 0.000 1.675 654 M HN 0.007 nan 8.290 nan 0.000 0.505 655 E N 1.005 121.209 120.200 0.007 0.000 2.428 655 E HA 0.008 4.400 4.350 0.069 0.000 0.257 655 E C 0.305 176.932 176.600 0.046 0.000 1.197 655 E CA 0.470 56.886 56.400 0.026 0.000 0.974 655 E CB 0.468 30.182 29.700 0.024 0.000 0.976 655 E HN 0.827 nan 8.360 nan 0.000 0.463 656 H N 1.349 120.398 119.070 -0.035 0.000 2.325 656 H HA -0.128 4.469 4.556 0.069 0.000 0.296 656 H C 1.694 176.973 175.328 -0.081 0.000 1.053 656 H CA 2.902 58.920 56.048 -0.050 0.000 1.204 656 H CB -0.666 29.067 29.762 -0.049 0.000 1.383 656 H HN 0.485 nan 8.280 nan 0.000 0.532 657 T N 0.304 114.761 114.554 -0.161 0.000 2.873 657 T HA -0.310 4.081 4.350 0.069 0.000 0.258 657 T C 1.751 176.337 174.700 -0.189 0.000 1.024 657 T CA 2.296 64.261 62.100 -0.225 0.000 1.165 657 T CB -0.300 68.530 68.868 -0.062 0.000 0.827 657 T HN 0.552 nan 8.240 nan 0.000 0.495 658 Q N -0.952 118.788 119.800 -0.099 0.000 2.408 658 Q HA 0.348 4.730 4.340 0.069 0.000 0.205 658 Q C 2.490 178.496 176.000 0.010 0.000 0.919 658 Q CA 0.579 56.367 55.803 -0.025 0.000 0.932 658 Q CB 0.142 28.891 28.738 0.018 0.000 1.058 658 Q HN 0.549 nan 8.270 nan 0.000 0.517 659 A N 0.786 123.562 122.820 -0.072 0.000 1.935 659 A HA -0.068 4.293 4.320 0.069 0.000 0.214 659 A C 2.260 179.837 177.584 -0.012 0.000 1.178 659 A CA 1.075 53.108 52.037 -0.006 0.000 0.640 659 A CB -0.583 18.406 19.000 -0.018 0.000 0.825 659 A HN 0.275 nan 8.150 nan 0.000 0.447 660 V N -1.009 118.670 119.914 -0.392 0.000 2.427 660 V HA -0.211 3.950 4.120 0.069 0.000 0.248 660 V C 1.855 177.852 176.094 -0.161 0.000 1.051 660 V CA 2.846 64.758 62.300 -0.647 0.000 1.048 660 V CB -0.922 30.241 31.823 -1.099 0.000 0.666 660 V HN 0.497 nan 8.190 nan 0.000 0.456 661 D N -1.066 119.275 120.400 -0.099 0.000 2.178 661 D HA -0.205 4.476 4.640 0.069 0.000 0.202 661 D C 1.899 178.242 176.300 0.072 0.000 0.974 661 D CA 1.373 55.364 54.000 -0.016 0.000 0.841 661 D CB -0.303 40.490 40.800 -0.012 0.000 0.953 661 D HN 0.657 nan 8.370 nan 0.000 0.478 662 Y N 0.315 120.622 120.300 0.011 0.000 2.145 662 Y HA -0.156 4.435 4.550 0.069 0.000 0.286 662 Y C 1.997 177.945 175.900 0.081 0.000 1.145 662 Y CA 1.318 59.461 58.100 0.070 0.000 1.148 662 Y CB -0.527 38.013 38.460 0.133 0.000 0.981 662 Y HN -0.099 nan 8.280 nan 0.000 0.507 663 V N 0.990 121.159 119.914 0.425 0.000 2.261 663 V HA -0.318 3.843 4.120 0.069 0.000 0.246 663 V C 2.217 178.341 176.094 0.052 0.000 1.047 663 V CA 2.393 64.878 62.300 0.309 0.000 1.015 663 V CB -0.651 31.439 31.823 0.445 0.000 0.642 663 V HN 0.328 nan 8.190 nan 0.000 0.446 664 K N 0.014 120.440 120.400 0.043 0.000 2.286 664 K HA -0.249 4.112 4.320 0.069 0.000 0.203 664 K C 2.015 178.581 176.600 -0.057 0.000 1.045 664 K CA 1.415 57.677 56.287 -0.041 0.000 0.935 664 K CB -0.157 32.332 32.500 -0.019 0.000 0.737 664 K HN 0.329 nan 8.250 nan 0.000 0.460 665 K N 0.762 121.122 120.400 -0.067 0.000 2.404 665 K HA 0.084 4.445 4.320 0.069 0.000 0.194 665 K C 1.415 177.926 176.600 -0.148 0.000 1.023 665 K CA 0.125 56.347 56.287 -0.109 0.000 1.094 665 K CB 0.344 32.760 32.500 -0.140 0.000 0.841 665 K HN 0.022 nan 8.250 nan 0.000 0.523 666 L N 0.073 121.217 121.223 -0.131 0.000 2.354 666 L HA 0.090 4.472 4.340 0.069 0.000 0.212 666 L C 1.887 178.709 176.870 -0.081 0.000 1.091 666 L CA 0.413 55.182 54.840 -0.118 0.000 0.828 666 L CB -0.014 42.019 42.059 -0.043 0.000 0.973 666 L HN 0.220 nan 8.230 nan 0.000 0.461 667 M N -1.473 118.087 119.600 -0.067 0.000 2.349 667 M HA -0.069 4.453 4.480 0.069 0.000 0.266 667 M C 1.964 178.239 176.300 -0.042 0.000 1.076 667 M CA 1.281 56.553 55.300 -0.047 0.000 1.126 667 M CB -0.546 31.990 32.600 -0.107 0.000 1.392 667 M HN 0.050 nan 8.290 nan 0.000 0.440 668 T N 0.899 115.423 114.554 -0.050 0.000 2.896 668 T HA -0.021 4.370 4.350 0.069 0.000 0.263 668 T C 1.432 176.102 174.700 -0.051 0.000 1.050 668 T CA 1.041 63.120 62.100 -0.036 0.000 1.140 668 T CB -0.062 68.784 68.868 -0.037 0.000 0.877 668 T HN 0.388 nan 8.240 nan 0.000 0.457 669 K N 0.919 121.271 120.400 -0.079 0.000 2.504 669 K HA 0.349 4.710 4.320 0.069 0.000 0.199 669 K C 1.129 177.662 176.600 -0.111 0.000 1.028 669 K CA 0.116 56.354 56.287 -0.082 0.000 1.164 669 K CB 0.234 32.676 32.500 -0.096 0.000 0.877 669 K HN 0.318 nan 8.250 nan 0.000 0.508 670 G N 2.195 110.915 108.800 -0.133 0.000 2.179 670 G HA2 -0.324 3.677 3.960 0.069 0.000 0.257 670 G HA3 -0.324 3.677 3.960 0.069 0.000 0.257 670 G C 0.557 175.124 174.900 -0.555 0.000 1.010 670 G CA 0.236 45.204 45.100 -0.219 0.000 0.736 670 G HN 0.448 nan 8.290 nan 0.000 0.513 671 R N -1.495 118.718 120.500 -0.478 0.000 2.476 671 R HA 0.274 4.655 4.340 0.069 0.000 0.276 671 R C -0.223 175.819 176.300 -0.431 0.000 0.941 671 R CA -0.136 55.579 56.100 -0.643 0.000 1.088 671 R CB 0.926 31.032 30.300 -0.323 0.000 1.216 671 R HN 0.361 nan 8.270 nan 0.000 0.533 672 Y N 0.937 120.980 120.300 -0.428 0.000 2.400 672 Y HA 0.349 4.941 4.550 0.070 0.000 0.335 672 Y C -1.238 174.511 175.900 -0.252 0.000 1.066 672 Y CA -1.238 56.653 58.100 -0.350 0.000 1.285 672 Y CB 1.269 39.576 38.460 -0.255 0.000 1.103 672 Y HN -0.194 nan 8.280 nan 0.000 0.490 673 S N 6.029 121.673 115.700 -0.093 0.000 2.475 673 S HA 0.743 5.254 4.470 0.069 0.000 0.298 673 S C -0.718 174.144 174.600 0.438 0.000 1.119 673 S CA -0.613 57.654 58.200 0.111 0.000 1.085 673 S CB 1.268 64.397 63.200 -0.117 0.000 1.028 673 S HN 0.572 nan 8.310 nan 0.000 0.489 674 L N 2.142 123.649 121.223 0.474 0.000 2.319 674 L HA 0.667 5.048 4.340 0.069 0.000 0.267 674 L C -0.346 176.714 176.870 0.317 0.000 1.011 674 L CA -0.428 54.656 54.840 0.405 0.000 0.818 674 L CB 1.341 43.543 42.059 0.239 0.000 1.316 674 L HN 0.544 nan 8.230 nan 0.000 0.432 675 D N 1.498 121.928 120.400 0.049 0.000 2.881 675 D HA 0.327 5.008 4.640 0.069 0.000 0.238 675 D C -1.289 174.906 176.300 -0.174 0.000 1.368 675 D CA 0.052 53.939 54.000 -0.188 0.000 0.871 675 D CB 1.133 41.437 40.800 -0.828 0.000 1.516 675 D HN 0.251 nan 8.370 nan 0.000 0.544 676 V N 0.000 119.874 119.914 -0.066 0.000 2.409 676 V HA 0.000 4.161 4.120 0.069 0.000 0.244 676 V CA 0.000 62.244 62.300 -0.093 0.000 1.235 676 V CB 0.000 31.741 31.823 -0.137 0.000 1.184 676 V HN 0.000 nan 8.190 nan 0.000 0.556