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 2wc4_1_C DATA FIRST_RESID 3 DATA SEQUENCE VKKFPEGFLW GVATASYQIE GSPLADGAGM SIWHTFSHTP GNVKNGDTGD DATA SEQUENCE VACDHYNRWK EDIEIIEKLG VKAYRFSISW PRILPEGTGR VNQKGLDFYN DATA SEQUENCE RIIDTLLEKG ITPFVTIYHW DLPFALQLKG GWANREIADW FAEYSRVLFE DATA SEQUENCE NFGDRVKNWI TLNEPWVVAI VGHLYGVHAP GMRDIYVAFR AVHNLLRAHA DATA SEQUENCE RAVKVFRETV KDGKIGIVFN NGYFEPASEK EEDIRAVRFM HQFNNYPLFL DATA SEQUENCE NPIYRGDYPE LVLEFAREYL PENYKDDMSE IQEKIDFVGL NYYSGHLVKF DATA SEQUENCE DPDAPAKVSF VERDLPKTAM GWEIVPEGIY WILKKVKEEY NPPEVYITEN DATA SEQUENCE GAAFDDVVSE DGRVHDQNRI DYLKAHIGQA WKAIQEGVPL KGYFVWSLLD DATA SEQUENCE NFEWAEGYSK RFGIVYVDYS TQKRIVKDSG YWYSNVVKNN GLE 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.871 176.094 -0.371 0.000 1.182 3 V CA 0.000 62.179 62.300 -0.202 0.000 1.235 3 V CB 0.000 31.754 31.823 -0.114 0.000 1.184 4 K N 4.148 124.258 120.400 -0.484 0.000 2.521 4 K HA 0.537 4.856 4.320 -0.000 0.000 0.248 4 K C -0.828 175.554 176.600 -0.364 0.000 0.978 4 K CA -0.659 55.043 56.287 -0.974 0.000 0.947 4 K CB 1.948 33.509 32.500 -1.565 0.000 1.165 4 K HN 0.692 nan 8.250 nan 0.000 0.445 5 K N 2.603 122.995 120.400 -0.014 0.000 2.201 5 K HA 0.325 4.645 4.320 -0.000 0.000 0.278 5 K C -0.832 175.961 176.600 0.321 0.000 1.027 5 K CA -0.368 56.043 56.287 0.206 0.000 0.909 5 K CB 0.488 33.075 32.500 0.145 0.000 1.062 5 K HN 0.144 nan 8.250 nan 0.000 0.465 6 F N 4.068 124.111 119.950 0.156 0.000 2.368 6 F HA 0.362 4.889 4.527 -0.000 0.000 0.315 6 F C -1.533 174.268 175.800 0.001 0.000 1.145 6 F CA -2.079 55.916 58.000 -0.009 0.000 1.095 6 F CB 0.213 38.997 39.000 -0.359 0.000 1.286 6 F HN 0.524 nan 8.300 nan 0.000 0.530 7 P HA 0.027 nan 4.420 nan 0.000 0.269 7 P C -0.951 176.457 177.300 0.180 0.000 1.215 7 P CA -0.313 62.849 63.100 0.104 0.000 0.780 7 P CB 0.365 32.117 31.700 0.086 0.000 0.898 8 E N 1.058 121.338 120.200 0.133 0.000 2.529 8 E HA 0.218 4.567 4.350 -0.000 0.000 0.259 8 E C 1.222 177.909 176.600 0.146 0.000 0.966 8 E CA 1.463 57.944 56.400 0.134 0.000 0.937 8 E CB -0.565 29.190 29.700 0.092 0.000 0.923 8 E HN 0.726 nan 8.360 nan 0.000 0.468 9 G N 3.750 112.644 108.800 0.157 0.000 2.148 9 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.254 9 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.254 9 G C 0.089 175.061 174.900 0.120 0.000 0.981 9 G CA 0.037 45.214 45.100 0.128 0.000 0.670 9 G HN 0.570 nan 8.290 nan 0.000 0.528 10 F N 0.914 120.848 119.950 -0.026 0.000 2.629 10 F HA 0.401 4.928 4.527 -0.000 0.000 0.377 10 F C 0.874 176.495 175.800 -0.298 0.000 1.101 10 F CA 0.014 57.908 58.000 -0.177 0.000 1.301 10 F CB 0.366 39.229 39.000 -0.229 0.000 1.062 10 F HN 0.070 nan 8.300 nan 0.000 0.583 11 L N 7.175 127.863 121.223 -0.891 0.000 2.270 11 L HA 0.152 4.492 4.340 -0.000 0.000 0.286 11 L C -1.017 175.348 176.870 -0.841 0.000 1.059 11 L CA -0.469 54.011 54.840 -0.600 0.000 0.839 11 L CB 0.225 42.087 42.059 -0.328 0.000 1.221 11 L HN 0.651 nan 8.230 nan 0.000 0.431 12 W N 3.290 124.396 121.300 -0.324 0.000 2.345 12 W HA 0.534 5.194 4.660 -0.001 0.000 0.308 12 W C 0.783 177.117 176.519 -0.308 0.000 1.273 12 W CA -0.281 56.932 57.345 -0.220 0.000 1.243 12 W CB 1.325 30.671 29.460 -0.190 0.000 1.260 12 W HN 0.460 nan 8.180 nan 0.000 0.509 13 G N 1.166 109.843 108.800 -0.205 0.000 2.818 13 G HA2 0.760 4.720 3.960 -0.000 0.000 0.286 13 G HA3 0.760 4.720 3.960 -0.000 0.000 0.286 13 G C -1.200 173.825 174.900 0.208 0.000 1.364 13 G CA -0.932 43.973 45.100 -0.326 0.000 0.938 13 G HN 0.588 nan 8.290 nan 0.000 0.490 14 V N -3.354 116.786 119.914 0.377 0.000 3.040 14 V HA 0.979 5.099 4.120 -0.000 0.000 0.312 14 V C -0.132 176.235 176.094 0.454 0.000 1.115 14 V CA -0.874 61.640 62.300 0.356 0.000 0.998 14 V CB 1.308 33.277 31.823 0.244 0.000 1.042 14 V HN 1.752 nan 8.190 nan 0.000 0.433 15 A N 1.699 124.660 122.820 0.235 0.000 2.435 15 A HA 1.041 5.361 4.320 -0.000 0.000 0.304 15 A C -0.145 177.295 177.584 -0.241 0.000 1.064 15 A CA 0.002 52.118 52.037 0.132 0.000 0.727 15 A CB 1.967 21.142 19.000 0.293 0.000 1.284 15 A HN 1.945 nan 8.150 nan 0.000 0.415 16 T N -1.927 112.534 114.554 -0.155 0.000 2.778 16 T HA 0.905 5.255 4.350 -0.000 0.000 0.293 16 T C -0.433 174.253 174.700 -0.024 0.000 1.144 16 T CA -0.180 61.717 62.100 -0.339 0.000 1.010 16 T CB 1.471 70.251 68.868 -0.147 0.000 1.325 16 T HN 2.234 nan 8.240 nan 0.000 0.515 17 A N 0.382 123.169 122.820 -0.054 0.000 2.475 17 A HA 0.739 5.059 4.320 -0.000 0.000 0.301 17 A C 1.155 178.720 177.584 -0.031 0.000 1.059 17 A CA -0.112 51.803 52.037 -0.202 0.000 0.710 17 A CB 1.394 19.903 19.000 -0.817 0.000 1.288 17 A HN 1.485 nan 8.150 nan 0.000 0.408 18 S N 0.879 116.646 115.700 0.111 0.000 2.359 18 S HA -0.282 4.187 4.470 -0.000 0.000 0.223 18 S C 1.674 176.388 174.600 0.189 0.000 1.039 18 S CA 2.185 60.543 58.200 0.263 0.000 1.042 18 S CB -0.843 62.602 63.200 0.407 0.000 0.915 18 S HN 1.040 nan 8.310 nan 0.000 0.439 19 Y N 2.438 122.786 120.300 0.080 0.000 2.439 19 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 19 Y C 2.529 178.324 175.900 -0.175 0.000 1.130 19 Y CA 1.287 59.395 58.100 0.013 0.000 1.254 19 Y CB -0.372 38.161 38.460 0.120 0.000 1.000 19 Y HN 0.374 nan 8.280 nan 0.000 0.554 20 Q N -0.419 119.236 119.800 -0.242 0.000 2.311 20 Q HA -0.004 4.336 4.340 -0.000 0.000 0.203 20 Q C 1.809 177.732 176.000 -0.128 0.000 0.954 20 Q CA 1.588 57.215 55.803 -0.293 0.000 0.885 20 Q CB 0.159 28.689 28.738 -0.348 0.000 0.963 20 Q HN 0.761 nan 8.270 nan 0.000 0.471 21 I N -4.519 115.998 120.570 -0.088 0.000 4.471 21 I HA 0.179 4.349 4.170 -0.000 0.000 0.326 21 I C 1.438 177.602 176.117 0.078 0.000 1.300 21 I CA 0.036 61.331 61.300 -0.008 0.000 1.237 21 I CB 0.301 38.247 38.000 -0.089 0.000 1.195 21 I HN -0.122 nan 8.210 nan 0.000 0.427 22 E N 2.381 122.625 120.200 0.073 0.000 2.060 22 E HA 0.244 4.594 4.350 -0.000 0.000 0.189 22 E C 1.282 177.936 176.600 0.090 0.000 0.974 22 E CA 0.832 57.357 56.400 0.208 0.000 0.808 22 E CB -0.064 29.778 29.700 0.237 0.000 0.768 22 E HN 0.620 nan 8.360 nan 0.000 0.453 23 G N 0.574 109.327 108.800 -0.078 0.000 2.796 23 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 23 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 23 G C 0.083 174.883 174.900 -0.168 0.000 1.381 23 G CA -0.318 44.714 45.100 -0.113 0.000 0.867 23 G HN 0.237 nan 8.290 nan 0.000 0.552 24 S N -0.360 115.237 115.700 -0.171 0.000 3.631 24 S HA -0.164 4.305 4.470 -0.000 0.000 0.366 24 S C -0.304 174.069 174.600 -0.378 0.000 0.993 24 S CA 1.385 59.401 58.200 -0.306 0.000 1.167 24 S CB -0.729 62.167 63.200 -0.508 0.000 0.909 24 S HN 1.019 nan 8.310 nan 0.000 0.478 25 P HA -0.060 nan 4.420 nan 0.000 0.219 25 P C 0.806 177.990 177.300 -0.194 0.000 1.146 25 P CA 1.045 64.078 63.100 -0.112 0.000 0.808 25 P CB 0.024 31.772 31.700 0.079 0.000 0.779 26 L N -1.776 119.307 121.223 -0.233 0.000 2.910 26 L HA 0.373 4.712 4.340 -0.000 0.000 0.252 26 L C 1.014 177.773 176.870 -0.185 0.000 1.195 26 L CA -0.690 54.024 54.840 -0.210 0.000 1.003 26 L CB -0.041 41.884 42.059 -0.222 0.000 1.328 26 L HN -0.180 nan 8.230 nan 0.000 0.540 27 A N -0.070 122.585 122.820 -0.276 0.000 2.445 27 A HA 0.132 4.452 4.320 -0.000 0.000 0.242 27 A C 0.602 178.113 177.584 -0.122 0.000 1.075 27 A CA 0.070 51.966 52.037 -0.236 0.000 0.777 27 A CB 0.014 18.750 19.000 -0.440 0.000 1.013 27 A HN 0.534 nan 8.150 nan 0.000 0.493 28 D N 0.457 120.844 120.400 -0.021 0.000 2.723 28 D HA -0.198 4.441 4.640 -0.000 0.000 0.236 28 D C 0.989 177.306 176.300 0.028 0.000 1.138 28 D CA 2.171 56.195 54.000 0.040 0.000 0.676 28 D CB -1.442 39.428 40.800 0.117 0.000 1.069 28 D HN 1.948 nan 8.370 nan 0.000 0.430 29 G N -1.249 107.550 108.800 -0.002 0.000 2.162 29 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.260 29 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.260 29 G C 0.569 175.470 174.900 0.001 0.000 0.976 29 G CA 0.804 45.906 45.100 0.002 0.000 0.655 29 G HN 1.202 nan 8.290 nan 0.000 0.533 30 A N 0.040 122.850 122.820 -0.017 0.000 2.466 30 A HA 0.647 4.967 4.320 -0.000 0.000 0.238 30 A C 1.232 178.801 177.584 -0.026 0.000 1.074 30 A CA 1.022 53.058 52.037 -0.001 0.000 0.774 30 A CB 0.355 19.340 19.000 -0.024 0.000 1.015 30 A HN 1.785 nan 8.150 nan 0.000 0.498 31 G N 0.340 109.139 108.800 -0.001 0.000 2.504 31 G HA2 0.497 4.457 3.960 -0.000 0.000 0.288 31 G HA3 0.497 4.457 3.960 -0.000 0.000 0.288 31 G C 0.123 175.003 174.900 -0.034 0.000 1.182 31 G CA -0.872 44.216 45.100 -0.021 0.000 0.894 31 G HN 0.738 nan 8.290 nan 0.000 0.521 32 M N 1.046 120.617 119.600 -0.048 0.000 2.248 32 M HA 0.185 4.665 4.480 -0.000 0.000 0.337 32 M C 1.007 177.352 176.300 0.074 0.000 1.121 32 M CA -0.022 55.238 55.300 -0.066 0.000 1.155 32 M CB 1.068 33.603 32.600 -0.109 0.000 1.514 32 M HN 0.648 nan 8.290 nan 0.000 0.452 33 S N 2.515 118.298 115.700 0.137 0.000 2.713 33 S HA 0.420 4.890 4.470 -0.000 0.000 0.283 33 S C 0.950 175.685 174.600 0.225 0.000 1.161 33 S CA -0.978 57.339 58.200 0.196 0.000 0.999 33 S CB 0.720 64.068 63.200 0.246 0.000 1.039 33 S HN 0.783 nan 8.310 nan 0.000 0.548 34 I N -2.742 117.958 120.570 0.216 0.000 2.614 34 I HA 0.063 4.233 4.170 -0.000 0.000 0.258 34 I C 1.580 177.679 176.117 -0.030 0.000 1.189 34 I CA 0.773 62.161 61.300 0.147 0.000 1.462 34 I CB -0.370 37.666 38.000 0.060 0.000 1.092 34 I HN 0.630 nan 8.210 nan 0.000 0.442 35 W N 0.997 122.289 121.300 -0.013 0.000 2.476 35 W HA -0.064 4.596 4.660 0.001 0.000 0.281 35 W C 2.676 179.123 176.519 -0.119 0.000 1.230 35 W CA 1.526 58.758 57.345 -0.190 0.000 1.287 35 W CB -0.372 28.670 29.460 -0.697 0.000 1.108 35 W HN 0.267 nan 8.180 nan 0.000 0.567 36 H N -0.103 119.017 119.070 0.082 0.000 2.321 36 H HA -0.183 4.373 4.556 -0.000 0.000 0.300 36 H C 2.390 177.844 175.328 0.210 0.000 1.087 36 H CA 3.014 59.219 56.048 0.261 0.000 1.319 36 H CB -0.335 29.534 29.762 0.179 0.000 1.379 36 H HN 0.007 nan 8.280 nan 0.000 0.501 37 T N -2.321 112.288 114.554 0.091 0.000 2.857 37 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 37 T C 1.998 176.711 174.700 0.022 0.000 1.048 37 T CA 1.033 63.097 62.100 -0.059 0.000 1.139 37 T CB -0.786 67.915 68.868 -0.280 0.000 0.874 37 T HN 0.288 nan 8.240 nan 0.000 0.455 38 F N 3.270 123.138 119.950 -0.138 0.000 2.113 38 F HA -0.045 4.482 4.527 0.000 0.000 0.297 38 F C 2.681 178.427 175.800 -0.091 0.000 1.103 38 F CA 1.580 59.460 58.000 -0.201 0.000 1.248 38 F CB -0.431 38.261 39.000 -0.513 0.000 0.999 38 F HN 0.328 nan 8.300 nan 0.000 0.475 39 S N -1.684 114.079 115.700 0.105 0.000 2.461 39 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 39 S C 1.725 176.220 174.600 -0.175 0.000 1.005 39 S CA 0.819 59.062 58.200 0.071 0.000 0.942 39 S CB -0.912 62.508 63.200 0.367 0.000 0.776 39 S HN 0.516 nan 8.310 nan 0.000 0.514 40 H N 1.316 120.310 119.070 -0.127 0.000 2.547 40 H HA 0.224 4.779 4.556 -0.001 0.000 0.266 40 H C -0.167 175.075 175.328 -0.143 0.000 0.988 40 H CA 0.578 56.526 56.048 -0.166 0.000 1.147 40 H CB -0.008 29.578 29.762 -0.293 0.000 1.365 40 H HN 0.378 nan 8.280 nan 0.000 0.589 41 T N 3.350 117.837 114.554 -0.113 0.000 2.767 41 T HA 0.219 4.569 4.350 -0.000 0.000 0.288 41 T C -2.295 172.309 174.700 -0.159 0.000 0.963 41 T CA -1.383 60.635 62.100 -0.137 0.000 1.019 41 T CB 1.756 70.509 68.868 -0.191 0.000 0.923 41 T HN 0.063 nan 8.240 nan 0.000 0.468 42 P HA 0.260 nan 4.420 nan 0.000 0.265 42 P C 1.052 178.288 177.300 -0.107 0.000 1.193 42 P CA 0.741 63.790 63.100 -0.086 0.000 0.765 42 P CB 0.383 32.052 31.700 -0.051 0.000 0.823 43 G N 2.734 111.478 108.800 -0.093 0.000 2.195 43 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.246 43 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.246 43 G C 1.109 175.937 174.900 -0.120 0.000 0.984 43 G CA -0.014 45.036 45.100 -0.084 0.000 0.633 43 G HN 0.489 nan 8.290 nan 0.000 0.525 44 N N -0.398 118.164 118.700 -0.230 0.000 2.409 44 N HA 0.249 4.988 4.740 -0.000 0.000 0.174 44 N C 0.475 175.928 175.510 -0.096 0.000 1.037 44 N CA 1.175 54.012 53.050 -0.355 0.000 0.898 44 N CB 0.641 38.461 38.487 -1.113 0.000 1.010 44 N HN 0.410 nan 8.380 nan 0.000 0.445 45 V N 0.951 120.856 119.914 -0.016 0.000 2.709 45 V HA 0.205 4.325 4.120 -0.000 0.000 0.308 45 V C 0.151 176.287 176.094 0.070 0.000 1.062 45 V CA -1.309 61.065 62.300 0.122 0.000 0.901 45 V CB 2.801 34.771 31.823 0.246 0.000 1.003 45 V HN -0.058 nan 8.190 nan 0.000 0.425 46 K N 3.551 123.989 120.400 0.062 0.000 2.524 46 K HA -0.010 4.310 4.320 -0.000 0.000 0.279 46 K C 0.861 177.485 176.600 0.040 0.000 0.993 46 K CA 0.686 56.996 56.287 0.037 0.000 1.030 46 K CB 0.029 32.542 32.500 0.021 0.000 0.891 46 K HN 0.792 nan 8.250 nan 0.000 0.488 47 N N 2.094 120.815 118.700 0.035 0.000 2.778 47 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 47 N C 0.402 175.939 175.510 0.044 0.000 1.069 47 N CA 1.318 54.392 53.050 0.041 0.000 0.831 47 N CB -1.576 36.943 38.487 0.053 0.000 1.142 47 N HN 1.005 nan 8.380 nan 0.000 0.573 48 G N 0.015 108.837 108.800 0.036 0.000 2.249 48 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.273 48 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.273 48 G C -0.298 174.634 174.900 0.052 0.000 1.036 48 G CA 0.609 45.722 45.100 0.022 0.000 0.824 48 G HN 0.512 nan 8.290 nan 0.000 0.504 49 D N 0.453 120.928 120.400 0.125 0.000 2.372 49 D HA 0.554 5.194 4.640 -0.000 0.000 0.243 49 D C 1.119 177.582 176.300 0.271 0.000 1.121 49 D CA 1.179 55.318 54.000 0.231 0.000 0.898 49 D CB 1.255 42.209 40.800 0.257 0.000 1.202 49 D HN 0.538 nan 8.370 nan 0.000 0.428 50 T N -2.694 111.949 114.554 0.148 0.000 2.887 50 T HA 0.582 4.932 4.350 -0.000 0.000 0.292 50 T C 0.906 175.331 174.700 -0.458 0.000 1.087 50 T CA -0.949 61.076 62.100 -0.125 0.000 1.009 50 T CB 1.584 70.269 68.868 -0.306 0.000 1.203 50 T HN 0.173 nan 8.240 nan 0.000 0.518 51 G N -0.047 108.301 108.800 -0.753 0.000 3.279 51 G HA2 0.141 4.100 3.960 -0.000 0.000 0.230 51 G HA3 0.141 4.100 3.960 -0.000 0.000 0.230 51 G C 0.518 175.155 174.900 -0.440 0.000 1.230 51 G CA -0.195 44.289 45.100 -1.026 0.000 0.891 51 G HN 0.749 nan 8.290 nan 0.000 0.518 52 D N 0.177 120.499 120.400 -0.130 0.000 2.144 52 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 52 D C 2.414 178.678 176.300 -0.061 0.000 0.984 52 D CA 0.888 54.890 54.000 0.002 0.000 0.834 52 D CB 0.296 41.159 40.800 0.104 0.000 0.955 52 D HN 0.298 nan 8.370 nan 0.000 0.465 53 V N -0.298 119.567 119.914 -0.082 0.000 2.911 53 V HA 0.342 4.461 4.120 -0.000 0.000 0.237 53 V C 1.345 177.395 176.094 -0.074 0.000 1.156 53 V CA 0.607 62.864 62.300 -0.072 0.000 1.180 53 V CB -0.250 31.526 31.823 -0.078 0.000 0.932 53 V HN 0.318 nan 8.190 nan 0.000 0.483 54 A N 0.221 122.982 122.820 -0.099 0.000 5.483 54 A HA -0.376 3.944 4.320 -0.000 0.000 0.309 54 A C 1.400 179.020 177.584 0.061 0.000 1.898 54 A CA 1.768 53.812 52.037 0.011 0.000 0.716 54 A CB -2.012 16.980 19.000 -0.014 0.000 1.309 54 A HN 0.668 nan 8.150 nan 0.000 0.380 55 C N 0.038 119.425 119.300 0.146 0.000 2.613 55 C HA 0.433 4.893 4.460 -0.000 0.000 0.273 55 C C 1.084 176.151 174.990 0.128 0.000 1.304 55 C CA 1.036 60.147 59.018 0.156 0.000 1.702 55 C CB -1.395 26.425 27.740 0.133 0.000 1.792 55 C HN 1.092 nan 8.230 nan 0.000 0.588 56 D N 0.238 120.706 120.400 0.113 0.000 2.811 56 D HA -0.276 4.364 4.640 -0.000 0.000 0.231 56 D C 0.694 177.113 176.300 0.199 0.000 1.157 56 D CA 1.096 55.170 54.000 0.124 0.000 0.716 56 D CB -1.522 39.321 40.800 0.071 0.000 1.077 56 D HN 0.759 nan 8.370 nan 0.000 0.428 57 H N -1.487 117.675 119.070 0.154 0.000 2.489 57 H HA -0.120 4.436 4.556 -0.000 0.000 0.293 57 H C 1.708 177.271 175.328 0.392 0.000 1.066 57 H CA 1.938 58.122 56.048 0.227 0.000 1.305 57 H CB -0.198 29.697 29.762 0.222 0.000 1.386 57 H HN 0.443 nan 8.280 nan 0.000 0.551 58 Y N 0.707 121.142 120.300 0.225 0.000 2.193 58 Y HA -0.263 4.287 4.550 0.000 0.000 0.285 58 Y C 1.717 177.781 175.900 0.273 0.000 1.166 58 Y CA 2.057 60.202 58.100 0.075 0.000 1.181 58 Y CB -0.105 38.248 38.460 -0.177 0.000 0.976 58 Y HN 0.374 nan 8.280 nan 0.000 0.520 59 N N -0.812 118.021 118.700 0.221 0.000 2.415 59 N HA 0.049 4.789 4.740 -0.000 0.000 0.174 59 N C 1.092 176.560 175.510 -0.071 0.000 1.048 59 N CA 0.561 53.673 53.050 0.104 0.000 0.895 59 N CB 0.037 38.572 38.487 0.080 0.000 1.036 59 N HN 0.364 nan 8.380 nan 0.000 0.449 60 R N 0.916 121.369 120.500 -0.078 0.000 2.427 60 R HA 0.117 4.456 4.340 -0.000 0.000 0.262 60 R C 1.610 177.704 176.300 -0.343 0.000 0.943 60 R CA -0.266 55.708 56.100 -0.210 0.000 1.081 60 R CB -0.053 30.209 30.300 -0.064 0.000 1.166 60 R HN 0.373 nan 8.270 nan 0.000 0.534 61 W N 1.495 122.559 121.300 -0.394 0.000 2.325 61 W HA -0.226 4.434 4.660 -0.001 0.000 0.299 61 W C 1.165 177.492 176.519 -0.321 0.000 1.215 61 W CA 0.869 57.804 57.345 -0.682 0.000 1.244 61 W CB -0.656 28.321 29.460 -0.805 0.000 1.140 61 W HN 0.010 nan 8.180 nan 0.000 0.523 62 K N 1.180 120.868 120.400 -1.187 0.000 2.025 62 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 62 K C 2.325 178.671 176.600 -0.423 0.000 1.049 62 K CA 1.936 57.681 56.287 -0.904 0.000 0.933 62 K CB -0.452 31.281 32.500 -1.278 0.000 0.714 62 K HN 0.160 nan 8.250 nan 0.000 0.438 63 E N 0.485 120.455 120.200 -0.385 0.000 2.085 63 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 63 E C 1.265 177.777 176.600 -0.147 0.000 0.994 63 E CA 1.810 58.077 56.400 -0.222 0.000 0.801 63 E CB 0.019 29.608 29.700 -0.185 0.000 0.743 63 E HN 0.309 nan 8.360 nan 0.000 0.453 64 D N 0.449 120.783 120.400 -0.110 0.000 2.117 64 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 64 D C 2.079 178.310 176.300 -0.115 0.000 0.987 64 D CA 1.033 55.003 54.000 -0.051 0.000 0.829 64 D CB -0.225 40.651 40.800 0.126 0.000 0.961 64 D HN 0.348 nan 8.370 nan 0.000 0.460 65 I N 0.974 121.476 120.570 -0.113 0.000 2.394 65 I HA -0.198 3.971 4.170 -0.000 0.000 0.251 65 I C 2.093 178.142 176.117 -0.113 0.000 1.136 65 I CA 0.967 62.180 61.300 -0.146 0.000 1.425 65 I CB -0.217 37.745 38.000 -0.063 0.000 1.079 65 I HN -0.041 nan 8.210 nan 0.000 0.425 66 E N 0.887 121.022 120.200 -0.108 0.000 2.204 66 E HA -0.169 4.180 4.350 -0.000 0.000 0.195 66 E C 2.229 178.783 176.600 -0.075 0.000 0.990 66 E CA 1.006 57.353 56.400 -0.088 0.000 0.821 66 E CB 0.009 29.649 29.700 -0.100 0.000 0.750 66 E HN 0.527 nan 8.360 nan 0.000 0.477 67 I N 0.719 121.237 120.570 -0.088 0.000 2.286 67 I HA -0.241 3.928 4.170 -0.000 0.000 0.245 67 I C 2.222 178.295 176.117 -0.073 0.000 1.104 67 I CA 0.886 62.140 61.300 -0.077 0.000 1.397 67 I CB -0.195 37.755 38.000 -0.083 0.000 1.072 67 I HN 0.104 nan 8.210 nan 0.000 0.417 68 I N 0.762 121.274 120.570 -0.097 0.000 2.208 68 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 68 I C 2.638 178.730 176.117 -0.041 0.000 1.097 68 I CA 1.659 62.914 61.300 -0.075 0.000 1.363 68 I CB -0.513 37.407 38.000 -0.134 0.000 1.051 68 I HN 0.341 nan 8.210 nan 0.000 0.413 69 E N 1.837 122.011 120.200 -0.045 0.000 2.051 69 E HA -0.304 4.045 4.350 -0.000 0.000 0.192 69 E C 2.289 178.877 176.600 -0.021 0.000 0.991 69 E CA 1.529 57.913 56.400 -0.025 0.000 0.799 69 E CB -0.073 29.611 29.700 -0.026 0.000 0.748 69 E HN 0.366 nan 8.360 nan 0.000 0.449 70 K N 0.516 120.902 120.400 -0.023 0.000 2.097 70 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 70 K C 2.100 178.701 176.600 0.002 0.000 1.049 70 K CA 1.212 57.495 56.287 -0.006 0.000 0.933 70 K CB -0.099 32.402 32.500 0.001 0.000 0.717 70 K HN 0.246 nan 8.250 nan 0.000 0.442 71 L N -0.111 121.104 121.223 -0.014 0.000 2.478 71 L HA 0.081 4.420 4.340 -0.000 0.000 0.223 71 L C 1.138 177.979 176.870 -0.049 0.000 1.140 71 L CA 0.615 55.443 54.840 -0.020 0.000 0.842 71 L CB -0.152 41.891 42.059 -0.027 0.000 0.953 71 L HN 0.611 nan 8.230 nan 0.000 0.452 72 G N 0.449 109.226 108.800 -0.039 0.000 2.147 72 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 72 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 72 G C 0.169 175.036 174.900 -0.055 0.000 1.005 72 G CA 0.046 45.118 45.100 -0.047 0.000 0.713 72 G HN 0.107 nan 8.290 nan 0.000 0.515 73 V N 0.762 120.657 119.914 -0.031 0.000 2.614 73 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 73 V C 1.499 177.619 176.094 0.043 0.000 1.049 73 V CA 0.152 62.451 62.300 -0.001 0.000 1.038 73 V CB 1.510 33.373 31.823 0.065 0.000 0.980 73 V HN 0.251 nan 8.190 nan 0.000 0.481 74 K N 2.845 123.282 120.400 0.061 0.000 2.314 74 K HA 0.353 4.673 4.320 -0.000 0.000 0.198 74 K C 0.427 177.083 176.600 0.093 0.000 1.045 74 K CA 0.750 57.079 56.287 0.072 0.000 0.988 74 K CB 0.396 32.941 32.500 0.076 0.000 0.783 74 K HN 0.732 nan 8.250 nan 0.000 0.484 75 A N 0.383 123.256 122.820 0.088 0.000 2.539 75 A HA 0.581 4.901 4.320 -0.000 0.000 0.296 75 A C -1.958 175.858 177.584 0.387 0.000 1.073 75 A CA -0.625 51.532 52.037 0.200 0.000 0.700 75 A CB 1.330 20.352 19.000 0.036 0.000 1.296 75 A HN 0.117 nan 8.150 nan 0.000 0.405 76 Y N 1.356 121.874 120.300 0.364 0.000 2.327 76 Y HA 0.550 5.100 4.550 -0.000 0.000 0.325 76 Y C -0.120 176.048 175.900 0.446 0.000 0.999 76 Y CA -0.894 57.427 58.100 0.368 0.000 1.195 76 Y CB 1.193 39.805 38.460 0.252 0.000 1.132 76 Y HN 0.789 nan 8.280 nan 0.000 0.455 77 R N 7.044 127.618 120.500 0.123 0.000 2.254 77 R HA 0.547 4.886 4.340 -0.000 0.000 0.318 77 R C -1.575 174.486 176.300 -0.398 0.000 1.031 77 R CA -0.147 55.797 56.100 -0.259 0.000 0.905 77 R CB 0.275 30.224 30.300 -0.585 0.000 1.050 77 R HN 0.579 nan 8.270 nan 0.000 0.456 78 F N 0.606 120.212 119.950 -0.572 0.000 2.685 78 F HA 0.611 5.138 4.527 -0.001 0.000 0.315 78 F C -1.175 174.488 175.800 -0.229 0.000 1.126 78 F CA -1.127 56.572 58.000 -0.501 0.000 0.950 78 F CB 1.237 39.802 39.000 -0.724 0.000 1.360 78 F HN 0.435 nan 8.300 nan 0.000 0.469 79 S N 0.960 116.662 115.700 0.003 0.000 2.648 79 S HA 0.808 5.278 4.470 -0.000 0.000 0.305 79 S C -1.036 173.597 174.600 0.055 0.000 1.094 79 S CA -0.785 57.388 58.200 -0.045 0.000 0.983 79 S CB 1.635 64.890 63.200 0.091 0.000 1.101 79 S HN 0.740 nan 8.310 nan 0.000 0.514 80 I N 1.993 122.540 120.570 -0.037 0.000 2.392 80 I HA 0.322 4.492 4.170 -0.000 0.000 0.295 80 I C 0.320 176.603 176.117 0.278 0.000 0.985 80 I CA -0.579 60.633 61.300 -0.147 0.000 1.221 80 I CB 1.975 39.816 38.000 -0.265 0.000 1.366 80 I HN 0.765 nan 8.210 nan 0.000 0.467 81 S N 6.131 122.092 115.700 0.435 0.000 2.422 81 S HA 0.018 4.488 4.470 -0.000 0.000 0.283 81 S C 0.774 175.678 174.600 0.507 0.000 1.163 81 S CA -0.436 58.069 58.200 0.509 0.000 1.054 81 S CB 0.236 63.746 63.200 0.518 0.000 0.967 81 S HN 0.693 nan 8.310 nan 0.000 0.499 82 W N 7.622 129.032 121.300 0.183 0.000 2.335 82 W HA 0.004 4.664 4.660 0.001 0.000 0.311 82 W C -1.457 175.013 176.519 -0.082 0.000 1.213 82 W CA 1.174 58.365 57.345 -0.256 0.000 1.274 82 W CB -1.595 27.547 29.460 -0.530 0.000 1.148 82 W HN 0.626 nan 8.180 nan 0.000 0.498 83 P HA -0.078 nan 4.420 nan 0.000 0.237 83 P C 1.398 178.809 177.300 0.185 0.000 1.178 83 P CA 1.232 64.412 63.100 0.134 0.000 0.766 83 P CB -0.244 31.488 31.700 0.054 0.000 0.876 84 R N -0.494 120.172 120.500 0.276 0.000 2.115 84 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 84 R C 1.994 178.484 176.300 0.316 0.000 1.100 84 R CA 0.949 57.221 56.100 0.287 0.000 0.980 84 R CB -0.301 30.248 30.300 0.415 0.000 0.875 84 R HN 0.216 nan 8.270 nan 0.000 0.445 85 I N 0.178 120.973 120.570 0.374 0.000 2.494 85 I HA 0.001 4.171 4.170 -0.000 0.000 0.250 85 I C 0.863 177.141 176.117 0.269 0.000 1.112 85 I CA 0.927 62.443 61.300 0.361 0.000 1.438 85 I CB -0.197 38.078 38.000 0.459 0.000 1.111 85 I HN 0.024 nan 8.210 nan 0.000 0.431 86 L N 1.589 122.979 121.223 0.279 0.000 2.454 86 L HA 0.277 4.616 4.340 -0.000 0.000 0.258 86 L C -1.842 175.095 176.870 0.111 0.000 1.025 86 L CA -1.181 53.782 54.840 0.205 0.000 0.901 86 L CB 1.959 44.190 42.059 0.286 0.000 1.210 86 L HN -0.175 nan 8.230 nan 0.000 0.457 87 P HA -0.134 nan 4.420 nan 0.000 0.218 87 P C 0.639 177.919 177.300 -0.034 0.000 1.149 87 P CA 1.238 64.352 63.100 0.024 0.000 0.817 87 P CB 0.346 32.060 31.700 0.024 0.000 0.785 88 E N -1.943 118.230 120.200 -0.046 0.000 2.444 88 E HA 0.227 4.576 4.350 -0.000 0.000 0.191 88 E C 1.334 177.817 176.600 -0.195 0.000 1.041 88 E CA 0.331 56.665 56.400 -0.110 0.000 0.883 88 E CB -0.261 29.385 29.700 -0.089 0.000 1.024 88 E HN 0.117 nan 8.360 nan 0.000 0.470 89 G N 1.329 110.020 108.800 -0.180 0.000 2.498 89 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.229 89 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.229 89 G C 0.704 175.630 174.900 0.043 0.000 1.156 89 G CA 0.640 45.570 45.100 -0.283 0.000 0.680 89 G HN 0.442 nan 8.290 nan 0.000 0.512 90 T N -3.034 111.495 114.554 -0.042 0.000 2.838 90 T HA 0.844 5.194 4.350 -0.000 0.000 0.292 90 T C 1.266 175.981 174.700 0.026 0.000 1.113 90 T CA 0.860 62.993 62.100 0.054 0.000 1.008 90 T CB 1.802 70.677 68.868 0.012 0.000 1.259 90 T HN 2.339 nan 8.240 nan 0.000 0.520 91 G N 1.346 110.174 108.800 0.047 0.000 2.650 91 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.264 91 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.264 91 G C -0.075 174.848 174.900 0.037 0.000 1.263 91 G CA -0.010 45.107 45.100 0.029 0.000 0.960 91 G HN 0.974 nan 8.290 nan 0.000 0.548 92 R N 0.587 121.105 120.500 0.029 0.000 2.449 92 R HA 0.415 4.755 4.340 -0.000 0.000 0.296 92 R C 0.060 176.393 176.300 0.056 0.000 1.047 92 R CA -0.090 56.031 56.100 0.035 0.000 1.018 92 R CB 0.228 30.543 30.300 0.025 0.000 0.962 92 R HN 0.409 nan 8.270 nan 0.000 0.428 93 V N 4.865 124.813 119.914 0.057 0.000 2.498 93 V HA 0.038 4.157 4.120 -0.000 0.000 0.279 93 V C 0.282 176.425 176.094 0.082 0.000 1.048 93 V CA -0.580 61.766 62.300 0.077 0.000 0.967 93 V CB 1.274 33.132 31.823 0.057 0.000 0.988 93 V HN 0.718 nan 8.190 nan 0.000 0.473 94 N N 3.523 122.290 118.700 0.113 0.000 2.437 94 N HA 0.124 4.864 4.740 -0.000 0.000 0.243 94 N C 0.771 176.359 175.510 0.131 0.000 1.041 94 N CA -0.198 52.920 53.050 0.113 0.000 0.940 94 N CB 1.446 40.011 38.487 0.129 0.000 1.133 94 N HN 0.654 nan 8.380 nan 0.000 0.506 95 Q N 3.673 123.534 119.800 0.102 0.000 2.096 95 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 95 Q C 0.962 177.042 176.000 0.132 0.000 0.982 95 Q CA 1.771 57.637 55.803 0.104 0.000 0.850 95 Q CB 0.130 28.913 28.738 0.075 0.000 0.901 95 Q HN 0.478 nan 8.270 nan 0.000 0.422 96 K N -0.758 119.718 120.400 0.127 0.000 2.147 96 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 96 K C 1.943 178.661 176.600 0.197 0.000 1.049 96 K CA 1.183 57.554 56.287 0.139 0.000 0.936 96 K CB -0.593 31.979 32.500 0.121 0.000 0.722 96 K HN 0.426 nan 8.250 nan 0.000 0.446 97 G N 1.337 110.278 108.800 0.236 0.000 2.394 97 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 97 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 97 G C 1.684 176.866 174.900 0.469 0.000 1.165 97 G CA 0.169 45.479 45.100 0.349 0.000 0.784 97 G HN 0.124 nan 8.290 nan 0.000 0.535 98 L N 0.709 122.170 121.223 0.398 0.000 2.043 98 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 98 L C 2.505 179.611 176.870 0.393 0.000 1.075 98 L CA 1.395 56.512 54.840 0.461 0.000 0.752 98 L CB -0.456 41.740 42.059 0.227 0.000 0.891 98 L HN 0.106 nan 8.230 nan 0.000 0.432 99 D N -0.321 120.217 120.400 0.230 0.000 2.117 99 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 99 D C 1.888 178.191 176.300 0.004 0.000 0.987 99 D CA 1.180 55.250 54.000 0.117 0.000 0.829 99 D CB -0.246 40.604 40.800 0.083 0.000 0.961 99 D HN 0.236 nan 8.370 nan 0.000 0.460 100 F N 0.532 120.384 119.950 -0.164 0.000 2.102 100 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 100 F C 1.905 177.372 175.800 -0.556 0.000 1.105 100 F CA 1.311 59.022 58.000 -0.483 0.000 1.239 100 F CB -0.511 38.162 39.000 -0.545 0.000 0.991 100 F HN -0.072 nan 8.300 nan 0.000 0.474 101 Y N 0.144 120.315 120.300 -0.215 0.000 2.337 101 Y HA -0.064 4.486 4.550 -0.001 0.000 0.293 101 Y C 2.405 178.042 175.900 -0.440 0.000 1.123 101 Y CA 1.019 58.866 58.100 -0.421 0.000 1.201 101 Y CB -1.101 37.218 38.460 -0.236 0.000 1.011 101 Y HN 0.067 nan 8.280 nan 0.000 0.545 102 N N 0.426 119.112 118.700 -0.023 0.000 2.104 102 N HA -0.154 4.585 4.740 -0.000 0.000 0.190 102 N C 1.833 177.240 175.510 -0.172 0.000 1.024 102 N CA 1.169 54.230 53.050 0.019 0.000 0.853 102 N CB -0.236 38.358 38.487 0.179 0.000 1.008 102 N HN 0.365 nan 8.380 nan 0.000 0.424 103 R N 0.314 120.594 120.500 -0.365 0.000 2.096 103 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 103 R C 2.248 178.166 176.300 -0.637 0.000 1.127 103 R CA 0.780 56.562 56.100 -0.530 0.000 0.968 103 R CB -0.222 29.585 30.300 -0.821 0.000 0.861 103 R HN 0.261 nan 8.270 nan 0.000 0.440 104 I N 0.456 120.554 120.570 -0.787 0.000 2.233 104 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 104 I C 2.238 178.182 176.117 -0.288 0.000 1.093 104 I CA 1.207 62.155 61.300 -0.587 0.000 1.380 104 I CB -0.129 37.423 38.000 -0.746 0.000 1.067 104 I HN 0.109 nan 8.210 nan 0.000 0.413 105 I N 0.650 121.083 120.570 -0.229 0.000 2.127 105 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 105 I C 2.096 178.198 176.117 -0.025 0.000 1.075 105 I CA 1.488 62.748 61.300 -0.067 0.000 1.334 105 I CB -0.500 37.466 38.000 -0.057 0.000 1.040 105 I HN 0.247 nan 8.210 nan 0.000 0.405 106 D N 0.364 120.740 120.400 -0.041 0.000 2.117 106 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 106 D C 2.223 178.533 176.300 0.017 0.000 0.987 106 D CA 1.649 55.651 54.000 0.003 0.000 0.829 106 D CB -0.403 40.399 40.800 0.002 0.000 0.961 106 D HN 0.289 nan 8.370 nan 0.000 0.460 107 T N 1.112 115.672 114.554 0.010 0.000 2.746 107 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 107 T C 2.255 176.983 174.700 0.046 0.000 1.039 107 T CA 0.533 62.670 62.100 0.061 0.000 1.142 107 T CB -0.259 68.707 68.868 0.164 0.000 0.866 107 T HN 0.111 nan 8.240 nan 0.000 0.444 108 L N 0.355 121.599 121.223 0.035 0.000 2.017 108 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 108 L C 2.486 179.396 176.870 0.067 0.000 1.073 108 L CA 1.186 56.063 54.840 0.061 0.000 0.745 108 L CB -0.555 41.569 42.059 0.108 0.000 0.894 108 L HN 0.250 nan 8.230 nan 0.000 0.432 109 L N -0.721 120.539 121.223 0.061 0.000 2.093 109 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 109 L C 2.481 179.382 176.870 0.050 0.000 1.085 109 L CA 1.142 56.019 54.840 0.061 0.000 0.755 109 L CB -0.549 41.545 42.059 0.059 0.000 0.904 109 L HN 0.299 nan 8.230 nan 0.000 0.435 110 E N 0.416 120.643 120.200 0.044 0.000 2.209 110 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 110 E C 1.633 178.253 176.600 0.034 0.000 0.993 110 E CA 1.118 57.541 56.400 0.037 0.000 0.819 110 E CB 0.013 29.734 29.700 0.036 0.000 0.745 110 E HN 0.435 nan 8.360 nan 0.000 0.477 111 K N -0.718 119.704 120.400 0.036 0.000 2.374 111 K HA 0.103 4.423 4.320 -0.000 0.000 0.196 111 K C 0.737 177.359 176.600 0.037 0.000 1.023 111 K CA 0.383 56.687 56.287 0.029 0.000 1.103 111 K CB 0.954 33.467 32.500 0.021 0.000 0.848 111 K HN 0.190 nan 8.250 nan 0.000 0.528 112 G N 2.095 110.924 108.800 0.048 0.000 2.179 112 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.257 112 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.257 112 G C -0.009 174.933 174.900 0.071 0.000 1.010 112 G CA 0.023 45.156 45.100 0.055 0.000 0.736 112 G HN 0.260 nan 8.290 nan 0.000 0.513 113 I N 1.089 121.709 120.570 0.085 0.000 2.359 113 I HA 0.325 4.495 4.170 -0.000 0.000 0.294 113 I C 0.576 176.790 176.117 0.163 0.000 0.987 113 I CA -0.590 60.783 61.300 0.121 0.000 1.225 113 I CB 1.697 39.769 38.000 0.121 0.000 1.366 113 I HN -0.014 nan 8.210 nan 0.000 0.466 114 T N 7.893 122.566 114.554 0.199 0.000 2.749 114 T HA 0.272 4.622 4.350 -0.000 0.000 0.295 114 T C -2.388 172.507 174.700 0.326 0.000 0.936 114 T CA -1.068 61.167 62.100 0.225 0.000 1.060 114 T CB 0.648 69.674 68.868 0.263 0.000 0.904 114 T HN 0.352 nan 8.240 nan 0.000 0.500 115 P HA 0.420 nan 4.420 nan 0.000 0.285 115 P C -1.111 176.227 177.300 0.063 0.000 1.259 115 P CA -0.623 62.635 63.100 0.264 0.000 0.794 115 P CB 0.560 32.395 31.700 0.225 0.000 0.940 116 F N 1.994 121.823 119.950 -0.201 0.000 2.403 116 F HA 0.256 4.782 4.527 -0.001 0.000 0.355 116 F C 0.096 175.481 175.800 -0.692 0.000 1.119 116 F CA -0.780 56.966 58.000 -0.422 0.000 1.007 116 F CB 1.626 40.361 39.000 -0.442 0.000 1.194 116 F HN -0.019 nan 8.300 nan 0.000 0.443 117 V N 3.345 122.790 119.914 -0.782 0.000 2.370 117 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 117 V C 0.040 175.843 176.094 -0.486 0.000 1.029 117 V CA -0.590 61.113 62.300 -0.994 0.000 0.870 117 V CB 1.533 32.588 31.823 -1.280 0.000 0.984 117 V HN 0.694 nan 8.190 nan 0.000 0.451 118 T N 6.876 121.209 114.554 -0.368 0.000 2.729 118 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 118 T C 1.464 176.181 174.700 0.027 0.000 0.928 118 T CA -0.112 61.940 62.100 -0.081 0.000 1.045 118 T CB 0.673 69.543 68.868 0.002 0.000 0.902 118 T HN 0.426 nan 8.240 nan 0.000 0.500 119 I N 1.747 122.416 120.570 0.165 0.000 2.226 119 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 119 I C 0.423 176.848 176.117 0.513 0.000 1.100 119 I CA 1.277 62.706 61.300 0.215 0.000 1.374 119 I CB 0.064 38.136 38.000 0.121 0.000 1.057 119 I HN 0.550 nan 8.210 nan 0.000 0.413 120 Y N 0.030 120.591 120.300 0.436 0.000 2.349 120 Y HA 0.336 4.886 4.550 -0.001 0.000 0.324 120 Y C -0.350 175.794 175.900 0.408 0.000 1.005 120 Y CA -1.034 57.408 58.100 0.570 0.000 1.240 120 Y CB 0.594 39.496 38.460 0.737 0.000 1.117 120 Y HN 0.020 nan 8.280 nan 0.000 0.463 121 H N 6.054 125.021 119.070 -0.173 0.000 2.591 121 H HA 0.228 4.783 4.556 -0.001 0.000 0.241 121 H C -0.830 174.244 175.328 -0.423 0.000 1.292 121 H CA -0.064 55.749 56.048 -0.391 0.000 1.022 121 H CB 0.097 29.706 29.762 -0.255 0.000 1.875 121 H HN 0.812 nan 8.280 nan 0.000 0.570 122 W N -0.256 120.549 121.300 -0.825 0.000 0.877 122 W HA -0.189 4.471 4.660 -0.000 0.000 0.234 122 W C -0.538 176.016 176.519 0.057 0.000 0.977 122 W CA 0.448 57.493 57.345 -0.499 0.000 0.365 122 W CB -2.018 27.210 29.460 -0.387 0.000 1.982 122 W HN 0.529 nan 8.180 nan 0.000 1.041 123 D N 1.528 122.124 120.400 0.326 0.000 2.767 123 D HA 0.410 5.050 4.640 -0.000 0.000 0.241 123 D C 0.305 176.910 176.300 0.509 0.000 1.187 123 D CA -0.342 53.949 54.000 0.484 0.000 0.999 123 D CB -0.302 40.770 40.800 0.454 0.000 1.042 123 D HN 0.079 nan 8.370 nan 0.000 0.510 124 L N 1.217 122.802 121.223 0.603 0.000 2.525 124 L HA 0.187 4.526 4.340 -0.000 0.000 0.278 124 L C -2.323 174.536 176.870 -0.017 0.000 1.218 124 L CA -0.985 54.044 54.840 0.314 0.000 0.878 124 L CB 0.214 42.425 42.059 0.254 0.000 1.127 124 L HN 0.024 nan 8.230 nan 0.000 0.492 125 P HA -0.054 nan 4.420 nan 0.000 0.265 125 P C 0.022 177.209 177.300 -0.190 0.000 1.193 125 P CA 0.214 63.130 63.100 -0.307 0.000 0.765 125 P CB 0.280 31.608 31.700 -0.621 0.000 0.823 126 F N 4.749 124.597 119.950 -0.170 0.000 2.171 126 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 126 F C 2.078 177.769 175.800 -0.182 0.000 1.090 126 F CA 1.832 59.754 58.000 -0.131 0.000 1.293 126 F CB -0.722 38.242 39.000 -0.061 0.000 1.013 126 F HN 0.353 nan 8.300 nan 0.000 0.486 127 A N 0.579 123.271 122.820 -0.214 0.000 1.948 127 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 127 A C 2.269 179.557 177.584 -0.493 0.000 1.177 127 A CA 2.075 53.912 52.037 -0.333 0.000 0.636 127 A CB -1.141 17.707 19.000 -0.252 0.000 0.815 127 A HN 0.514 nan 8.150 nan 0.000 0.449 128 L N -1.663 119.218 121.223 -0.569 0.000 2.209 128 L HA -0.110 4.229 4.340 -0.000 0.000 0.207 128 L C 2.683 179.284 176.870 -0.449 0.000 1.094 128 L CA 1.172 55.597 54.840 -0.691 0.000 0.790 128 L CB -0.454 41.119 42.059 -0.811 0.000 0.932 128 L HN 0.411 nan 8.230 nan 0.000 0.447 129 Q N 1.056 120.609 119.800 -0.412 0.000 2.181 129 Q HA -0.180 4.159 4.340 -0.000 0.000 0.205 129 Q C 2.109 177.896 176.000 -0.354 0.000 0.980 129 Q CA 1.676 57.285 55.803 -0.323 0.000 0.862 129 Q CB -0.348 28.211 28.738 -0.298 0.000 0.905 129 Q HN 0.479 nan 8.270 nan 0.000 0.429 130 L N -0.214 120.703 121.223 -0.510 0.000 2.265 130 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 130 L C 1.546 178.285 176.870 -0.218 0.000 1.117 130 L CA 1.137 55.743 54.840 -0.390 0.000 0.782 130 L CB -0.183 41.628 42.059 -0.413 0.000 0.914 130 L HN 0.109 nan 8.230 nan 0.000 0.441 131 K N -0.421 119.857 120.400 -0.203 0.000 2.437 131 K HA 0.241 4.560 4.320 -0.000 0.000 0.205 131 K C 1.040 177.688 176.600 0.079 0.000 1.026 131 K CA 0.539 56.792 56.287 -0.057 0.000 1.153 131 K CB 0.838 33.280 32.500 -0.096 0.000 0.863 131 K HN 0.315 nan 8.250 nan 0.000 0.502 132 G N 0.690 109.495 108.800 0.009 0.000 2.218 132 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 132 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 132 G C 0.685 175.622 174.900 0.061 0.000 0.994 132 G CA 0.006 45.134 45.100 0.047 0.000 0.637 132 G HN 0.563 nan 8.290 nan 0.000 0.505 133 G N -0.132 108.701 108.800 0.055 0.000 2.652 133 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.318 133 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.318 133 G C 0.943 175.774 174.900 -0.114 0.000 1.295 133 G CA 1.280 46.348 45.100 -0.053 0.000 0.999 133 G HN 1.102 nan 8.290 nan 0.000 0.548 134 W N 1.366 122.697 121.300 0.051 0.000 2.721 134 W HA 0.349 5.008 4.660 -0.001 0.000 0.245 134 W C 2.820 179.254 176.519 -0.142 0.000 1.276 134 W CA 1.015 58.309 57.345 -0.085 0.000 1.342 134 W CB -0.181 29.175 29.460 -0.174 0.000 1.135 134 W HN 0.697 nan 8.180 nan 0.000 0.654 135 A N -0.232 122.621 122.820 0.055 0.000 2.123 135 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 135 A C 1.011 178.601 177.584 0.009 0.000 1.152 135 A CA 0.416 52.463 52.037 0.016 0.000 0.728 135 A CB -0.371 18.649 19.000 0.034 0.000 0.814 135 A HN 0.080 nan 8.150 nan 0.000 0.464 136 N N 0.314 118.996 118.700 -0.030 0.000 2.422 136 N HA 0.183 4.923 4.740 -0.000 0.000 0.266 136 N C 0.767 176.151 175.510 -0.211 0.000 1.007 136 N CA -0.300 52.692 53.050 -0.096 0.000 0.941 136 N CB 0.655 39.103 38.487 -0.064 0.000 1.115 136 N HN 0.255 nan 8.380 nan 0.000 0.492 137 R N 2.182 122.600 120.500 -0.137 0.000 2.185 137 R HA -0.154 4.186 4.340 -0.000 0.000 0.247 137 R C 0.827 176.937 176.300 -0.316 0.000 1.159 137 R CA 1.493 57.507 56.100 -0.144 0.000 0.988 137 R CB 0.131 30.396 30.300 -0.058 0.000 0.871 137 R HN 0.699 nan 8.270 nan 0.000 0.458 138 E N 0.400 120.300 120.200 -0.501 0.000 2.409 138 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 138 E C 1.761 177.478 176.600 -1.472 0.000 1.024 138 E CA 0.456 56.379 56.400 -0.794 0.000 0.861 138 E CB -0.134 29.175 29.700 -0.652 0.000 0.788 138 E HN 0.383 nan 8.360 nan 0.000 0.521 139 I N 0.786 120.531 120.570 -1.375 0.000 2.567 139 I HA -0.263 3.906 4.170 -0.000 0.000 0.257 139 I C 2.192 178.113 176.117 -0.326 0.000 1.184 139 I CA 0.625 61.340 61.300 -0.974 0.000 1.451 139 I CB 0.038 37.667 38.000 -0.618 0.000 1.089 139 I HN 0.050 nan 8.210 nan 0.000 0.441 140 A N 0.276 122.948 122.820 -0.247 0.000 1.902 140 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 140 A C 2.002 179.585 177.584 -0.001 0.000 1.181 140 A CA 2.106 54.123 52.037 -0.033 0.000 0.623 140 A CB -0.662 18.313 19.000 -0.042 0.000 0.818 140 A HN 0.465 nan 8.150 nan 0.000 0.443 141 D N -0.944 119.378 120.400 -0.131 0.000 2.117 141 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 141 D C 1.815 178.214 176.300 0.166 0.000 0.987 141 D CA 1.173 55.162 54.000 -0.019 0.000 0.829 141 D CB -0.317 40.448 40.800 -0.058 0.000 0.961 141 D HN 0.697 nan 8.370 nan 0.000 0.460 142 W N 0.673 122.061 121.300 0.146 0.000 2.381 142 W HA -0.073 4.587 4.660 -0.001 0.000 0.301 142 W C 2.244 178.952 176.519 0.315 0.000 1.205 142 W CA -0.207 57.282 57.345 0.241 0.000 1.285 142 W CB -1.594 28.023 29.460 0.262 0.000 1.133 142 W HN -0.052 nan 8.180 nan 0.000 0.521 143 F N 1.347 121.494 119.950 0.328 0.000 2.171 143 F HA -0.075 4.451 4.527 -0.000 0.000 0.300 143 F C 2.359 178.123 175.800 -0.059 0.000 1.090 143 F CA 1.987 60.020 58.000 0.054 0.000 1.293 143 F CB -0.673 38.394 39.000 0.111 0.000 1.013 143 F HN -0.153 nan 8.300 nan 0.000 0.486 144 A N -0.210 122.635 122.820 0.042 0.000 1.902 144 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 144 A C 2.233 179.720 177.584 -0.162 0.000 1.181 144 A CA 1.790 53.777 52.037 -0.083 0.000 0.623 144 A CB -0.966 18.042 19.000 0.013 0.000 0.818 144 A HN 0.553 nan 8.150 nan 0.000 0.443 145 E N -1.495 118.682 120.200 -0.040 0.000 2.031 145 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 145 E C 1.931 178.452 176.600 -0.132 0.000 0.994 145 E CA 1.522 57.904 56.400 -0.030 0.000 0.800 145 E CB -0.425 29.337 29.700 0.103 0.000 0.752 145 E HN 0.646 nan 8.360 nan 0.000 0.447 146 Y N 1.918 122.010 120.300 -0.347 0.000 2.128 146 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 146 Y C 2.547 178.011 175.900 -0.727 0.000 1.154 146 Y CA 2.135 59.880 58.100 -0.591 0.000 1.149 146 Y CB -0.940 36.789 38.460 -1.217 0.000 0.976 146 Y HN 0.206 nan 8.280 nan 0.000 0.505 147 S N 0.639 115.645 115.700 -1.157 0.000 2.383 147 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 147 S C 2.290 176.021 174.600 -1.449 0.000 1.030 147 S CA 1.309 58.603 58.200 -1.509 0.000 1.002 147 S CB -0.782 61.620 63.200 -1.329 0.000 0.829 147 S HN 0.617 nan 8.310 nan 0.000 0.467 148 R N 0.992 121.038 120.500 -0.757 0.000 2.073 148 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 148 R C 2.145 178.220 176.300 -0.376 0.000 1.134 148 R CA 1.726 57.580 56.100 -0.411 0.000 0.952 148 R CB -0.753 29.429 30.300 -0.197 0.000 0.850 148 R HN 0.411 nan 8.270 nan 0.000 0.433 149 V N 1.773 121.473 119.914 -0.358 0.000 2.332 149 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 149 V C 2.456 178.331 176.094 -0.365 0.000 1.055 149 V CA 1.778 63.916 62.300 -0.270 0.000 1.038 149 V CB -0.390 31.340 31.823 -0.155 0.000 0.651 149 V HN 0.347 nan 8.190 nan 0.000 0.450 150 L N -1.525 119.391 121.223 -0.511 0.000 2.056 150 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 150 L C 2.509 179.281 176.870 -0.164 0.000 1.078 150 L CA 1.404 56.049 54.840 -0.326 0.000 0.749 150 L CB -0.677 41.207 42.059 -0.292 0.000 0.901 150 L HN 0.250 nan 8.230 nan 0.000 0.433 151 F N 0.780 120.506 119.950 -0.375 0.000 2.134 151 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 151 F C 2.576 178.255 175.800 -0.202 0.000 1.097 151 F CA 0.965 58.724 58.000 -0.402 0.000 1.264 151 F CB -0.961 37.756 39.000 -0.473 0.000 1.001 151 F HN 0.150 nan 8.300 nan 0.000 0.479 152 E N -0.228 119.944 120.200 -0.048 0.000 2.106 152 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 152 E C 1.904 178.452 176.600 -0.086 0.000 0.984 152 E CA 0.963 57.324 56.400 -0.065 0.000 0.806 152 E CB -0.257 29.390 29.700 -0.088 0.000 0.750 152 E HN 0.437 nan 8.360 nan 0.000 0.458 153 N N -0.245 118.321 118.700 -0.224 0.000 2.300 153 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 153 N C 0.996 176.398 175.510 -0.179 0.000 1.016 153 N CA 0.939 53.773 53.050 -0.359 0.000 0.876 153 N CB 0.190 38.206 38.487 -0.786 0.000 0.979 153 N HN 0.120 nan 8.380 nan 0.000 0.432 154 F N -0.723 119.358 119.950 0.218 0.000 2.746 154 F HA 0.365 4.892 4.527 -0.001 0.000 0.313 154 F C 2.175 178.199 175.800 0.373 0.000 1.095 154 F CA -0.538 57.634 58.000 0.288 0.000 1.224 154 F CB -0.516 38.706 39.000 0.370 0.000 1.060 154 F HN -0.121 nan 8.300 nan 0.000 0.584 155 G N 0.511 109.622 108.800 0.520 0.000 2.679 155 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.212 155 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.212 155 G C 1.304 176.351 174.900 0.245 0.000 1.137 155 G CA 0.940 46.309 45.100 0.448 0.000 0.787 155 G HN 0.394 nan 8.290 nan 0.000 0.534 156 D N 0.347 120.862 120.400 0.192 0.000 2.269 156 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 156 D C 2.130 178.510 176.300 0.134 0.000 0.963 156 D CA 0.560 54.633 54.000 0.122 0.000 0.864 156 D CB -0.090 40.767 40.800 0.094 0.000 0.936 156 D HN 0.353 nan 8.370 nan 0.000 0.505 157 R N -0.345 120.265 120.500 0.183 0.000 2.276 157 R HA 0.245 4.584 4.340 -0.000 0.000 0.195 157 R C 0.180 176.557 176.300 0.128 0.000 0.908 157 R CA -0.059 56.126 56.100 0.141 0.000 1.083 157 R CB 1.093 31.474 30.300 0.137 0.000 1.182 157 R HN -0.063 nan 8.270 nan 0.000 0.608 158 V N 2.911 122.930 119.914 0.176 0.000 2.432 158 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 158 V C 0.500 176.708 176.094 0.191 0.000 1.046 158 V CA 0.216 62.531 62.300 0.026 0.000 0.945 158 V CB 1.509 33.176 31.823 -0.261 0.000 0.992 158 V HN 0.154 nan 8.190 nan 0.000 0.471 159 K N 2.683 123.101 120.400 0.029 0.000 2.402 159 K HA 0.305 4.625 4.320 -0.000 0.000 0.204 159 K C -0.017 176.634 176.600 0.084 0.000 1.056 159 K CA 0.053 56.438 56.287 0.162 0.000 1.069 159 K CB 0.472 33.025 32.500 0.087 0.000 0.888 159 K HN 0.527 nan 8.250 nan 0.000 0.546 160 N N 0.257 118.759 118.700 -0.330 0.000 2.491 160 N HA 0.202 4.942 4.740 -0.000 0.000 0.274 160 N C -1.299 173.828 175.510 -0.637 0.000 1.023 160 N CA -0.315 52.380 53.050 -0.591 0.000 0.902 160 N CB 1.140 38.666 38.487 -1.601 0.000 1.267 160 N HN -0.095 nan 8.380 nan 0.000 0.503 161 W N 2.032 123.204 121.300 -0.214 0.000 2.844 161 W HA 0.623 5.283 4.660 -0.001 0.000 0.340 161 W C -0.141 176.317 176.519 -0.103 0.000 1.093 161 W CA -0.501 56.740 57.345 -0.174 0.000 1.212 161 W CB 1.440 30.741 29.460 -0.264 0.000 1.422 161 W HN 0.190 nan 8.180 nan 0.000 0.515 162 I N 1.933 122.595 120.570 0.155 0.000 2.466 162 I HA 0.200 4.370 4.170 -0.000 0.000 0.289 162 I C 1.144 177.330 176.117 0.114 0.000 1.026 162 I CA -0.468 60.869 61.300 0.062 0.000 1.078 162 I CB 2.390 40.414 38.000 0.039 0.000 1.249 162 I HN 0.631 nan 8.210 nan 0.000 0.429 163 T N 4.103 118.718 114.554 0.103 0.000 2.735 163 T HA 0.203 4.553 4.350 -0.000 0.000 0.256 163 T C 0.545 175.434 174.700 0.314 0.000 1.042 163 T CA 0.701 62.971 62.100 0.283 0.000 1.147 163 T CB 0.023 69.112 68.868 0.369 0.000 0.865 163 T HN 0.327 nan 8.240 nan 0.000 0.421 164 L N 1.581 122.857 121.223 0.088 0.000 2.386 164 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 164 L C -0.876 175.934 176.870 -0.100 0.000 0.993 164 L CA -1.084 53.781 54.840 0.042 0.000 0.819 164 L CB 1.917 43.883 42.059 -0.155 0.000 1.294 164 L HN 0.102 nan 8.230 nan 0.000 0.414 165 N N 2.415 121.079 118.700 -0.061 0.000 2.408 165 N HA 0.122 4.862 4.740 -0.000 0.000 0.257 165 N C -0.621 174.865 175.510 -0.040 0.000 1.064 165 N CA 0.029 52.942 53.050 -0.228 0.000 0.952 165 N CB 0.394 38.448 38.487 -0.723 0.000 1.093 165 N HN 0.572 nan 8.380 nan 0.000 0.490 166 E N 1.990 122.122 120.200 -0.114 0.000 2.240 166 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 166 E C -1.794 174.763 176.600 -0.072 0.000 1.385 166 E CA 0.090 56.496 56.400 0.010 0.000 0.686 166 E CB -0.510 29.306 29.700 0.194 0.000 1.125 166 E HN 0.680 nan 8.360 nan 0.000 0.359 167 P HA -0.208 nan 4.420 nan 0.000 0.222 167 P C 1.279 178.469 177.300 -0.185 0.000 1.147 167 P CA 1.122 63.966 63.100 -0.426 0.000 0.790 167 P CB -0.065 31.142 31.700 -0.822 0.000 0.780 168 W N 1.205 122.435 121.300 -0.118 0.000 2.358 168 W HA -0.182 4.478 4.660 0.000 0.000 0.303 168 W C 1.986 178.352 176.519 -0.254 0.000 1.208 168 W CA 1.378 58.702 57.345 -0.034 0.000 1.274 168 W CB -0.790 28.661 29.460 -0.016 0.000 1.138 168 W HN -0.301 nan 8.180 nan 0.000 0.515 169 V N 0.060 119.960 119.914 -0.022 0.000 2.307 169 V HA -0.314 3.806 4.120 -0.000 0.000 0.245 169 V C 2.126 177.838 176.094 -0.637 0.000 1.045 169 V CA 1.817 63.923 62.300 -0.323 0.000 1.024 169 V CB -1.359 30.336 31.823 -0.213 0.000 0.651 169 V HN 0.122 nan 8.190 nan 0.000 0.449 170 V N 0.402 119.939 119.914 -0.629 0.000 2.282 170 V HA -0.306 3.813 4.120 -0.000 0.000 0.249 170 V C 2.657 178.515 176.094 -0.393 0.000 1.057 170 V CA 2.354 64.292 62.300 -0.604 0.000 1.032 170 V CB -1.127 30.374 31.823 -0.536 0.000 0.645 170 V HN 0.570 nan 8.190 nan 0.000 0.447 171 A N -0.261 122.284 122.820 -0.458 0.000 1.843 171 A HA -0.056 4.263 4.320 -0.000 0.000 0.213 171 A C 2.094 179.360 177.584 -0.530 0.000 1.202 171 A CA 1.554 53.330 52.037 -0.435 0.000 0.607 171 A CB -0.378 18.337 19.000 -0.475 0.000 0.847 171 A HN 0.380 nan 8.150 nan 0.000 0.445 172 I N -0.154 119.857 120.570 -0.931 0.000 2.400 172 I HA -0.075 4.095 4.170 -0.000 0.000 0.248 172 I C 2.400 177.833 176.117 -1.140 0.000 1.109 172 I CA 1.003 61.585 61.300 -1.196 0.000 1.425 172 I CB -1.210 35.620 38.000 -1.950 0.000 1.094 172 I HN 0.111 nan 8.210 nan 0.000 0.425 173 V N 1.126 120.438 119.914 -1.003 0.000 2.591 173 V HA -0.026 4.094 4.120 -0.000 0.000 0.249 173 V C 2.537 178.326 176.094 -0.509 0.000 1.053 173 V CA 1.667 63.547 62.300 -0.701 0.000 1.068 173 V CB -1.157 30.247 31.823 -0.699 0.000 0.689 173 V HN 0.476 nan 8.190 nan 0.000 0.462 174 G N -1.088 107.416 108.800 -0.492 0.000 2.430 174 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.216 174 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.216 174 G C 1.172 175.726 174.900 -0.577 0.000 1.146 174 G CA 0.561 45.363 45.100 -0.497 0.000 0.793 174 G HN 0.653 nan 8.290 nan 0.000 0.537 175 H N -2.109 116.765 119.070 -0.327 0.000 3.170 175 H HA 0.347 4.903 4.556 -0.000 0.000 0.264 175 H C 1.475 176.670 175.328 -0.221 0.000 1.113 175 H CA -0.230 55.682 56.048 -0.226 0.000 1.194 175 H CB 0.912 30.554 29.762 -0.199 0.000 1.553 175 H HN 0.248 nan 8.280 nan 0.000 0.538 176 L N -1.009 120.081 121.223 -0.222 0.000 2.519 176 L HA 0.139 4.479 4.340 -0.000 0.000 0.194 176 L C 0.861 177.710 176.870 -0.035 0.000 1.072 176 L CA 1.137 55.863 54.840 -0.190 0.000 0.845 176 L CB -0.344 41.513 42.059 -0.338 0.000 1.138 176 L HN 0.033 nan 8.230 nan 0.000 0.487 177 Y N 1.038 121.244 120.300 -0.157 0.000 2.519 177 Y HA 0.416 4.966 4.550 -0.001 0.000 0.287 177 Y C 1.974 177.818 175.900 -0.093 0.000 1.128 177 Y CA -0.135 57.894 58.100 -0.118 0.000 1.282 177 Y CB -1.106 37.268 38.460 -0.143 0.000 1.027 177 Y HN 0.321 nan 8.280 nan 0.000 0.551 178 G N -0.030 108.772 108.800 0.003 0.000 2.203 178 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 178 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 178 G C 0.976 175.919 174.900 0.072 0.000 1.012 178 G CA 0.680 45.772 45.100 -0.013 0.000 0.749 178 G HN 0.310 nan 8.290 nan 0.000 0.512 179 V N -0.867 119.077 119.914 0.050 0.000 3.174 179 V HA 0.159 4.279 4.120 -0.000 0.000 0.254 179 V C 1.294 177.558 176.094 0.283 0.000 1.120 179 V CA 1.395 63.794 62.300 0.166 0.000 1.114 179 V CB -0.205 31.659 31.823 0.070 0.000 0.756 179 V HN 0.660 nan 8.190 nan 0.000 0.467 180 H N -1.100 117.855 119.070 -0.192 0.000 2.651 180 H HA 0.676 5.232 4.556 -0.001 0.000 0.353 180 H C 0.257 174.755 175.328 -1.384 0.000 1.178 180 H CA -0.623 55.083 56.048 -0.570 0.000 1.224 180 H CB 1.551 31.117 29.762 -0.326 0.000 1.702 180 H HN 0.324 nan 8.280 nan 0.000 0.550 181 A N 2.187 123.786 122.820 -2.035 0.000 2.531 181 A HA 0.053 4.372 4.320 -0.000 0.000 0.236 181 A C -1.706 175.385 177.584 -0.821 0.000 1.062 181 A CA -0.876 50.139 52.037 -1.703 0.000 0.760 181 A CB -0.133 17.881 19.000 -1.644 0.000 0.995 181 A HN 0.605 nan 8.150 nan 0.000 0.501 182 P HA 0.169 nan 4.420 nan 0.000 0.261 182 P C 0.636 177.760 177.300 -0.294 0.000 1.352 182 P CA 0.873 63.714 63.100 -0.431 0.000 0.891 182 P CB 0.151 31.715 31.700 -0.228 0.000 1.383 183 G N 0.146 108.710 108.800 -0.394 0.000 2.204 183 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.244 183 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.244 183 G C -0.216 174.657 174.900 -0.044 0.000 1.062 183 G CA -0.115 44.951 45.100 -0.058 0.000 0.798 183 G HN 0.323 nan 8.290 nan 0.000 0.496 184 M N -0.346 119.163 119.600 -0.153 0.000 2.444 184 M HA 0.676 5.156 4.480 -0.000 0.000 0.319 184 M C 0.789 177.063 176.300 -0.043 0.000 1.183 184 M CA -0.524 54.733 55.300 -0.072 0.000 1.032 184 M CB 0.900 33.462 32.600 -0.064 0.000 1.569 184 M HN 0.135 nan 8.290 nan 0.000 0.468 185 R N 2.132 122.631 120.500 -0.002 0.000 2.639 185 R HA 0.266 4.605 4.340 -0.000 0.000 0.273 185 R C -1.620 174.692 176.300 0.020 0.000 1.732 185 R CA -0.426 55.679 56.100 0.009 0.000 1.586 185 R CB 0.506 30.821 30.300 0.025 0.000 1.263 185 R HN 0.542 nan 8.270 nan 0.000 0.615 186 D N 2.570 122.982 120.400 0.019 0.000 2.763 186 D HA 0.112 4.751 4.640 -0.000 0.000 0.235 186 D C 0.351 176.660 176.300 0.016 0.000 1.334 186 D CA -0.475 53.551 54.000 0.045 0.000 0.950 186 D CB 1.747 42.589 40.800 0.069 0.000 1.433 186 D HN 0.320 nan 8.370 nan 0.000 0.580 187 I N 3.584 124.131 120.570 -0.038 0.000 2.546 187 I HA -0.208 3.962 4.170 -0.000 0.000 0.255 187 I C 0.969 176.960 176.117 -0.210 0.000 1.163 187 I CA 0.856 62.020 61.300 -0.226 0.000 1.457 187 I CB 0.190 37.865 38.000 -0.541 0.000 1.092 187 I HN 0.419 nan 8.210 nan 0.000 0.434 188 Y N -0.312 119.932 120.300 -0.094 0.000 2.184 188 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 188 Y C 2.453 178.369 175.900 0.027 0.000 1.129 188 Y CA 1.399 59.517 58.100 0.029 0.000 1.144 188 Y CB -0.771 37.717 38.460 0.046 0.000 0.995 188 Y HN -0.088 nan 8.280 nan 0.000 0.513 189 V N -0.106 119.902 119.914 0.157 0.000 2.392 189 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 189 V C 2.486 178.545 176.094 -0.058 0.000 1.059 189 V CA 1.717 64.051 62.300 0.057 0.000 1.051 189 V CB -1.363 30.502 31.823 0.071 0.000 0.658 189 V HN 0.471 nan 8.190 nan 0.000 0.455 190 A N -0.475 122.292 122.820 -0.089 0.000 1.877 190 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 190 A C 2.021 179.391 177.584 -0.356 0.000 1.186 190 A CA 1.899 53.773 52.037 -0.272 0.000 0.620 190 A CB -0.733 18.061 19.000 -0.344 0.000 0.822 190 A HN 0.482 nan 8.150 nan 0.000 0.443 191 F N -0.292 119.542 119.950 -0.193 0.000 2.325 191 F HA -0.032 4.494 4.527 -0.001 0.000 0.299 191 F C 2.500 178.238 175.800 -0.103 0.000 1.090 191 F CA 1.303 59.197 58.000 -0.177 0.000 1.392 191 F CB -0.120 38.750 39.000 -0.216 0.000 1.053 191 F HN 0.106 nan 8.300 nan 0.000 0.521 192 R N -0.221 120.329 120.500 0.084 0.000 2.115 192 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 192 R C 2.421 178.752 176.300 0.051 0.000 1.100 192 R CA 0.940 57.095 56.100 0.091 0.000 0.980 192 R CB -0.566 29.788 30.300 0.090 0.000 0.875 192 R HN 0.235 nan 8.270 nan 0.000 0.445 193 A N 0.727 123.490 122.820 -0.095 0.000 1.902 193 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 193 A C 2.301 179.826 177.584 -0.100 0.000 1.181 193 A CA 1.240 53.185 52.037 -0.153 0.000 0.623 193 A CB -0.561 18.146 19.000 -0.489 0.000 0.818 193 A HN 0.102 nan 8.150 nan 0.000 0.443 194 V N -0.489 119.358 119.914 -0.113 0.000 2.282 194 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 194 V C 2.496 178.711 176.094 0.200 0.000 1.057 194 V CA 2.681 64.993 62.300 0.020 0.000 1.032 194 V CB -0.903 30.840 31.823 -0.134 0.000 0.645 194 V HN 0.831 nan 8.190 nan 0.000 0.447 195 H N 0.369 119.511 119.070 0.119 0.000 2.363 195 H HA -0.059 4.497 4.556 -0.001 0.000 0.301 195 H C 2.207 177.632 175.328 0.163 0.000 1.074 195 H CA 1.788 57.965 56.048 0.216 0.000 1.354 195 H CB -0.018 29.872 29.762 0.213 0.000 1.397 195 H HN 0.346 nan 8.280 nan 0.000 0.516 196 N N 0.050 118.830 118.700 0.134 0.000 2.331 196 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 196 N C 1.975 177.552 175.510 0.112 0.000 1.019 196 N CA 0.682 53.794 53.050 0.103 0.000 0.881 196 N CB -0.149 38.434 38.487 0.160 0.000 0.972 196 N HN 0.359 nan 8.380 nan 0.000 0.435 197 L N 0.520 121.759 121.223 0.026 0.000 2.017 197 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 197 L C 2.206 179.045 176.870 -0.051 0.000 1.073 197 L CA 0.884 55.618 54.840 -0.177 0.000 0.745 197 L CB -0.407 41.422 42.059 -0.384 0.000 0.894 197 L HN 0.106 nan 8.230 nan 0.000 0.432 198 L N -0.790 120.468 121.223 0.058 0.000 2.017 198 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 198 L C 2.839 179.740 176.870 0.051 0.000 1.073 198 L CA 1.382 56.276 54.840 0.091 0.000 0.745 198 L CB -0.443 41.658 42.059 0.070 0.000 0.894 198 L HN 0.183 nan 8.230 nan 0.000 0.432 199 R N -0.337 120.136 120.500 -0.045 0.000 2.091 199 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 199 R C 2.375 178.697 176.300 0.037 0.000 1.136 199 R CA 1.415 57.494 56.100 -0.034 0.000 0.959 199 R CB -0.544 29.715 30.300 -0.067 0.000 0.856 199 R HN 0.382 nan 8.270 nan 0.000 0.437 200 A N 0.503 123.365 122.820 0.070 0.000 1.897 200 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 200 A C 1.954 179.649 177.584 0.186 0.000 1.181 200 A CA 1.681 53.801 52.037 0.138 0.000 0.620 200 A CB -0.703 18.352 19.000 0.093 0.000 0.821 200 A HN 0.502 nan 8.150 nan 0.000 0.443 201 H N 0.326 119.390 119.070 -0.010 0.000 2.289 201 H HA -0.063 4.492 4.556 -0.000 0.000 0.296 201 H C 2.042 177.412 175.328 0.071 0.000 1.091 201 H CA 2.430 58.501 56.048 0.038 0.000 1.274 201 H CB -0.358 29.366 29.762 -0.063 0.000 1.364 201 H HN 0.352 nan 8.280 nan 0.000 0.490 202 A N 1.159 123.875 122.820 -0.174 0.000 1.933 202 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 202 A C 2.434 179.943 177.584 -0.125 0.000 1.175 202 A CA 1.418 53.327 52.037 -0.212 0.000 0.628 202 A CB -0.397 18.577 19.000 -0.042 0.000 0.814 202 A HN 0.384 nan 8.150 nan 0.000 0.444 203 R N -0.347 120.140 120.500 -0.022 0.000 2.081 203 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 203 R C 2.422 178.735 176.300 0.021 0.000 1.131 203 R CA 1.414 57.523 56.100 0.014 0.000 0.960 203 R CB -1.059 29.276 30.300 0.058 0.000 0.856 203 R HN 0.538 nan 8.270 nan 0.000 0.436 204 A N 0.540 123.397 122.820 0.061 0.000 1.902 204 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 204 A C 2.463 180.082 177.584 0.058 0.000 1.181 204 A CA 1.489 53.566 52.037 0.068 0.000 0.623 204 A CB -0.530 18.549 19.000 0.133 0.000 0.818 204 A HN 0.108 nan 8.150 nan 0.000 0.443 205 V N 0.249 120.086 119.914 -0.127 0.000 2.407 205 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 205 V C 2.517 178.583 176.094 -0.046 0.000 1.055 205 V CA 2.327 64.526 62.300 -0.168 0.000 1.049 205 V CB -0.645 30.993 31.823 -0.309 0.000 0.662 205 V HN 0.678 nan 8.190 nan 0.000 0.455 206 K N -0.205 120.165 120.400 -0.050 0.000 2.057 206 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 206 K C 2.121 178.714 176.600 -0.012 0.000 1.049 206 K CA 1.686 57.956 56.287 -0.029 0.000 0.931 206 K CB -0.203 32.279 32.500 -0.031 0.000 0.714 206 K HN 0.331 nan 8.250 nan 0.000 0.440 207 V N 0.711 120.641 119.914 0.028 0.000 2.871 207 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 207 V C 1.721 177.816 176.094 0.000 0.000 1.082 207 V CA 1.039 63.360 62.300 0.034 0.000 1.105 207 V CB -0.516 31.345 31.823 0.063 0.000 0.713 207 V HN 0.379 nan 8.190 nan 0.000 0.473 208 F N 1.690 121.479 119.950 -0.268 0.000 2.095 208 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 208 F C 2.397 177.925 175.800 -0.454 0.000 1.104 208 F CA 1.804 59.350 58.000 -0.757 0.000 1.232 208 F CB -0.279 38.191 39.000 -0.883 0.000 0.987 208 F HN 0.112 nan 8.300 nan 0.000 0.475 209 R N 0.921 121.302 120.500 -0.200 0.000 2.200 209 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 209 R C 1.743 177.898 176.300 -0.243 0.000 1.127 209 R CA 1.474 57.444 56.100 -0.217 0.000 0.989 209 R CB -1.074 29.177 30.300 -0.082 0.000 0.869 209 R HN 0.533 nan 8.270 nan 0.000 0.459 210 E N -0.894 119.179 120.200 -0.211 0.000 2.472 210 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 210 E C 0.905 177.390 176.600 -0.192 0.000 1.033 210 E CA 1.004 57.306 56.400 -0.162 0.000 0.886 210 E CB 0.495 30.135 29.700 -0.099 0.000 0.944 210 E HN 0.412 nan 8.360 nan 0.000 0.492 211 T N -2.958 111.420 114.554 -0.293 0.000 2.969 211 T HA 0.206 4.556 4.350 -0.000 0.000 0.258 211 T C 0.433 174.915 174.700 -0.363 0.000 0.962 211 T CA -0.271 61.676 62.100 -0.256 0.000 0.903 211 T CB 0.499 69.281 68.868 -0.144 0.000 1.177 211 T HN -0.138 nan 8.240 nan 0.000 0.511 212 V N 2.512 122.043 119.914 -0.640 0.000 2.487 212 V HA 0.625 4.744 4.120 -0.000 0.000 0.298 212 V C -0.365 175.415 176.094 -0.523 0.000 1.028 212 V CA -1.212 60.693 62.300 -0.657 0.000 0.860 212 V CB 1.686 32.850 31.823 -1.098 0.000 0.991 212 V HN 0.375 nan 8.190 nan 0.000 0.427 213 K N 3.470 123.706 120.400 -0.274 0.000 2.227 213 K HA 0.269 4.589 4.320 -0.000 0.000 0.280 213 K C 0.140 176.672 176.600 -0.115 0.000 1.041 213 K CA -0.001 56.182 56.287 -0.173 0.000 0.905 213 K CB 0.454 32.893 32.500 -0.100 0.000 1.068 213 K HN 0.919 nan 8.250 nan 0.000 0.470 214 D N 1.160 121.507 120.400 -0.088 0.000 2.772 214 D HA -0.131 4.508 4.640 -0.000 0.000 0.233 214 D C 0.259 176.575 176.300 0.028 0.000 1.143 214 D CA 1.771 55.761 54.000 -0.017 0.000 0.700 214 D CB -1.274 39.529 40.800 0.004 0.000 1.076 214 D HN 0.873 nan 8.370 nan 0.000 0.430 215 G N -0.191 108.615 108.800 0.010 0.000 2.434 215 G HA2 0.610 4.570 3.960 -0.000 0.000 0.330 215 G HA3 0.610 4.570 3.960 -0.000 0.000 0.330 215 G C -0.196 174.947 174.900 0.404 0.000 1.155 215 G CA -0.713 44.524 45.100 0.229 0.000 0.917 215 G HN -0.011 nan 8.290 nan 0.000 0.493 216 K N 0.163 120.830 120.400 0.444 0.000 2.316 216 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 216 K C -1.305 175.412 176.600 0.195 0.000 0.934 216 K CA -0.642 55.857 56.287 0.353 0.000 0.802 216 K CB 3.013 35.708 32.500 0.326 0.000 1.171 216 K HN 0.403 nan 8.250 nan 0.000 0.426 217 I N 0.674 121.188 120.570 -0.093 0.000 2.647 217 I HA 0.599 4.769 4.170 -0.000 0.000 0.295 217 I C -0.629 175.085 176.117 -0.672 0.000 1.078 217 I CA -0.208 60.802 61.300 -0.482 0.000 1.048 217 I CB 2.007 39.331 38.000 -1.128 0.000 1.239 217 I HN 0.804 nan 8.210 nan 0.000 0.421 218 G N 6.157 114.329 108.800 -1.047 0.000 2.947 218 G HA2 0.668 4.628 3.960 -0.000 0.000 0.293 218 G HA3 0.668 4.628 3.960 -0.000 0.000 0.293 218 G C -1.883 172.667 174.900 -0.583 0.000 1.243 218 G CA -0.576 43.794 45.100 -1.217 0.000 0.802 218 G HN 0.717 nan 8.290 nan 0.000 0.560 219 I N -1.016 119.233 120.570 -0.535 0.000 2.841 219 I HA 0.627 4.796 4.170 -0.000 0.000 0.298 219 I C -1.610 174.065 176.117 -0.736 0.000 1.304 219 I CA -0.893 60.090 61.300 -0.528 0.000 1.019 219 I CB 2.257 39.877 38.000 -0.635 0.000 1.282 219 I HN 0.380 nan 8.210 nan 0.000 0.432 220 V N 6.602 126.042 119.914 -0.790 0.000 2.495 220 V HA 0.541 4.661 4.120 -0.000 0.000 0.298 220 V C -1.000 174.615 176.094 -0.797 0.000 1.031 220 V CA -0.318 61.606 62.300 -0.626 0.000 0.871 220 V CB 1.622 33.281 31.823 -0.273 0.000 0.988 220 V HN 0.453 nan 8.190 nan 0.000 0.432 221 F N 3.917 123.887 119.950 0.034 0.000 2.508 221 F HA 0.501 5.027 4.527 -0.001 0.000 0.325 221 F C 0.652 176.520 175.800 0.113 0.000 1.090 221 F CA -1.207 56.828 58.000 0.059 0.000 0.945 221 F CB 1.283 40.375 39.000 0.154 0.000 1.156 221 F HN 0.557 nan 8.300 nan 0.000 0.463 222 N N 2.467 121.332 118.700 0.274 0.000 2.482 222 N HA 0.253 4.993 4.740 -0.000 0.000 0.260 222 N C -1.180 174.445 175.510 0.192 0.000 1.236 222 N CA -0.253 52.915 53.050 0.197 0.000 0.938 222 N CB 1.015 39.574 38.487 0.119 0.000 1.128 222 N HN 0.653 nan 8.380 nan 0.000 0.448 223 N N -0.805 118.018 118.700 0.205 0.000 2.367 223 N HA 0.383 5.123 4.740 -0.000 0.000 0.278 223 N C -1.019 174.605 175.510 0.191 0.000 1.117 223 N CA -0.692 52.504 53.050 0.243 0.000 0.867 223 N CB 2.311 41.059 38.487 0.436 0.000 1.649 223 N HN 0.750 nan 8.380 nan 0.000 0.479 224 G N -0.052 108.775 108.800 0.045 0.000 2.498 224 G HA2 0.415 4.375 3.960 -0.000 0.000 0.312 224 G HA3 0.415 4.375 3.960 -0.000 0.000 0.312 224 G C -1.785 172.955 174.900 -0.267 0.000 1.230 224 G CA -0.264 44.700 45.100 -0.226 0.000 0.968 224 G HN 0.434 nan 8.290 nan 0.000 0.481 225 Y N 1.689 121.821 120.300 -0.280 0.000 2.518 225 Y HA 0.619 5.169 4.550 -0.000 0.000 0.344 225 Y C -1.190 174.367 175.900 -0.573 0.000 0.982 225 Y CA -2.323 55.568 58.100 -0.348 0.000 1.234 225 Y CB 0.015 38.410 38.460 -0.109 0.000 1.114 225 Y HN 0.232 nan 8.280 nan 0.000 0.515 226 F N 4.398 124.083 119.950 -0.441 0.000 2.410 226 F HA 0.437 4.963 4.527 -0.001 0.000 0.349 226 F C 0.249 175.627 175.800 -0.703 0.000 1.117 226 F CA -0.510 57.209 58.000 -0.467 0.000 1.104 226 F CB 1.018 39.869 39.000 -0.248 0.000 1.122 226 F HN 0.399 nan 8.300 nan 0.000 0.483 227 E N 4.418 124.357 120.200 -0.436 0.000 2.277 227 E HA 0.390 4.740 4.350 -0.000 0.000 0.266 227 E C -2.658 173.838 176.600 -0.173 0.000 0.901 227 E CA -2.349 53.810 56.400 -0.401 0.000 0.782 227 E CB 2.368 31.779 29.700 -0.483 0.000 1.228 227 E HN 0.200 nan 8.360 nan 0.000 0.424 228 P HA 0.106 nan 4.420 nan 0.000 0.290 228 P C -0.241 177.044 177.300 -0.025 0.000 1.276 228 P CA -0.062 63.015 63.100 -0.038 0.000 0.808 228 P CB 1.523 33.214 31.700 -0.015 0.000 0.966 229 A N 3.044 125.867 122.820 0.004 0.000 2.067 229 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 229 A C 1.067 178.660 177.584 0.015 0.000 1.158 229 A CA 1.633 53.678 52.037 0.013 0.000 0.661 229 A CB -0.647 18.375 19.000 0.036 0.000 0.801 229 A HN 0.752 nan 8.150 nan 0.000 0.452 230 S N -4.313 111.398 115.700 0.018 0.000 2.688 230 S HA 0.585 5.055 4.470 -0.000 0.000 0.275 230 S C 0.343 174.951 174.600 0.013 0.000 1.175 230 S CA 0.406 58.616 58.200 0.016 0.000 0.818 230 S CB 0.991 64.205 63.200 0.023 0.000 1.157 230 S HN 0.642 nan 8.310 nan 0.000 0.482 231 E N -0.173 120.034 120.200 0.012 0.000 2.502 231 E HA 0.209 4.558 4.350 -0.000 0.000 0.194 231 E C 0.369 176.972 176.600 0.005 0.000 1.062 231 E CA 0.294 56.699 56.400 0.010 0.000 0.867 231 E CB -0.601 nan 29.700 nan 0.000 0.888 231 E HN 0.627 nan 8.360 nan 0.000 0.510 232 K N 0.078 120.481 120.400 0.005 0.000 2.511 232 K HA 0.253 4.573 4.320 -0.000 0.000 0.280 232 K C 1.733 178.322 176.600 -0.018 0.000 1.008 232 K CA 0.409 56.690 56.287 -0.009 0.000 1.050 232 K CB 0.737 33.233 32.500 -0.007 0.000 0.889 232 K HN 0.424 nan 8.250 nan 0.000 0.484 233 E N 3.768 123.946 120.200 -0.036 0.000 2.114 233 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 233 E C 1.604 178.169 176.600 -0.058 0.000 1.008 233 E CA 2.047 58.422 56.400 -0.042 0.000 0.810 233 E CB -0.706 28.961 29.700 -0.056 0.000 0.739 233 E HN 0.839 nan 8.360 nan 0.000 0.456 234 E N 0.579 120.707 120.200 -0.119 0.000 2.204 234 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 234 E C 1.229 177.832 176.600 0.004 0.000 0.990 234 E CA 1.498 57.788 56.400 -0.184 0.000 0.821 234 E CB -0.242 29.134 29.700 -0.541 0.000 0.750 234 E HN 0.515 nan 8.360 nan 0.000 0.477 235 D N 1.157 121.578 120.400 0.035 0.000 2.149 235 D HA 0.031 4.671 4.640 -0.000 0.000 0.201 235 D C 2.209 178.543 176.300 0.056 0.000 0.972 235 D CA 0.690 54.737 54.000 0.078 0.000 0.835 235 D CB -0.172 40.664 40.800 0.061 0.000 0.966 235 D HN 0.258 nan 8.370 nan 0.000 0.476 236 I N 0.394 120.985 120.570 0.035 0.000 2.315 236 I HA -0.202 3.967 4.170 -0.000 0.000 0.248 236 I C 2.521 178.672 176.117 0.057 0.000 1.117 236 I CA 0.744 62.066 61.300 0.038 0.000 1.404 236 I CB -0.096 37.922 38.000 0.030 0.000 1.071 236 I HN -0.092 nan 8.210 nan 0.000 0.419 237 R N 1.120 121.651 120.500 0.052 0.000 2.081 237 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 237 R C 2.410 178.782 176.300 0.119 0.000 1.131 237 R CA 1.494 57.638 56.100 0.073 0.000 0.960 237 R CB -0.237 30.083 30.300 0.033 0.000 0.856 237 R HN 0.350 nan 8.270 nan 0.000 0.436 238 A N 0.042 122.938 122.820 0.126 0.000 1.940 238 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 238 A C 2.216 179.873 177.584 0.121 0.000 1.176 238 A CA 1.648 53.776 52.037 0.151 0.000 0.631 238 A CB -0.509 18.582 19.000 0.152 0.000 0.814 238 A HN 0.231 nan 8.150 nan 0.000 0.446 239 V N -0.040 119.918 119.914 0.074 0.000 2.358 239 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 239 V C 2.633 178.768 176.094 0.069 0.000 1.047 239 V CA 2.076 64.393 62.300 0.029 0.000 1.035 239 V CB -0.782 31.052 31.823 0.018 0.000 0.658 239 V HN 0.524 nan 8.190 nan 0.000 0.452 240 R N -0.806 119.768 120.500 0.123 0.000 2.083 240 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 240 R C 2.273 178.667 176.300 0.157 0.000 1.137 240 R CA 2.088 58.289 56.100 0.169 0.000 0.951 240 R CB -0.688 29.707 30.300 0.158 0.000 0.851 240 R HN 0.521 nan 8.270 nan 0.000 0.434 241 F N 1.671 121.636 119.950 0.024 0.000 2.095 241 F HA -0.251 4.276 4.527 -0.001 0.000 0.298 241 F C 2.268 178.050 175.800 -0.030 0.000 1.104 241 F CA 1.571 59.567 58.000 -0.008 0.000 1.232 241 F CB -0.145 38.812 39.000 -0.071 0.000 0.987 241 F HN -0.107 nan 8.300 nan 0.000 0.475 242 M N -0.460 118.998 119.600 -0.238 0.000 2.117 242 M HA -0.223 4.256 4.480 -0.000 0.000 0.262 242 M C 2.311 178.288 176.300 -0.538 0.000 1.065 242 M CA 2.005 56.938 55.300 -0.612 0.000 1.114 242 M CB -1.935 30.011 32.600 -1.090 0.000 1.361 242 M HN 0.376 nan 8.290 nan 0.000 0.408 243 H N 0.506 119.400 119.070 -0.294 0.000 2.353 243 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 243 H C 1.952 177.195 175.328 -0.142 0.000 1.090 243 H CA 2.023 58.048 56.048 -0.038 0.000 1.327 243 H CB 0.000 29.863 29.762 0.168 0.000 1.383 243 H HN 0.463 nan 8.280 nan 0.000 0.508 244 Q N -1.502 118.150 119.800 -0.247 0.000 2.172 244 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 244 Q C 1.637 177.499 176.000 -0.230 0.000 0.964 244 Q CA 1.133 56.783 55.803 -0.255 0.000 0.855 244 Q CB 0.013 28.715 28.738 -0.060 0.000 0.918 244 Q HN 0.468 nan 8.270 nan 0.000 0.444 245 F N 0.976 120.608 119.950 -0.530 0.000 2.220 245 F HA 0.039 4.566 4.527 -0.001 0.000 0.290 245 F C 1.782 177.377 175.800 -0.341 0.000 1.080 245 F CA 1.345 59.092 58.000 -0.421 0.000 1.318 245 F CB -0.142 38.403 39.000 -0.758 0.000 1.063 245 F HN -0.061 nan 8.300 nan 0.000 0.498 246 N N -0.423 117.842 118.700 -0.725 0.000 2.415 246 N HA -0.022 4.718 4.740 -0.000 0.000 0.176 246 N C 0.141 175.214 175.510 -0.729 0.000 1.042 246 N CA 0.274 52.610 53.050 -1.191 0.000 0.902 246 N CB -0.013 37.976 38.487 -0.831 0.000 0.986 246 N HN 0.116 nan 8.380 nan 0.000 0.447 247 N N -0.717 117.737 118.700 -0.411 0.000 2.643 247 N HA 0.073 4.813 4.740 -0.000 0.000 0.305 247 N C 0.594 175.883 175.510 -0.368 0.000 1.283 247 N CA -0.285 52.597 53.050 -0.280 0.000 0.946 247 N CB -0.273 38.085 38.487 -0.215 0.000 1.149 247 N HN 0.154 nan 8.380 nan 0.000 0.600 248 Y N -1.056 119.180 120.300 -0.108 0.000 2.298 248 Y HA 0.063 4.613 4.550 -0.000 0.000 0.287 248 Y C -1.237 174.414 175.900 -0.415 0.000 1.164 248 Y CA 0.754 58.613 58.100 -0.402 0.000 1.229 248 Y CB -2.159 36.152 38.460 -0.249 0.000 0.977 248 Y HN 0.424 nan 8.280 nan 0.000 0.538 249 P HA -0.164 nan 4.420 nan 0.000 0.220 249 P C 1.819 179.021 177.300 -0.162 0.000 1.148 249 P CA 1.157 64.192 63.100 -0.107 0.000 0.803 249 P CB -0.088 31.520 31.700 -0.154 0.000 0.782 250 L N -2.011 119.057 121.223 -0.258 0.000 2.129 250 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 250 L C 1.606 178.177 176.870 -0.499 0.000 1.087 250 L CA 2.059 56.708 54.840 -0.318 0.000 0.757 250 L CB -0.836 40.961 42.059 -0.437 0.000 0.896 250 L HN -0.112 nan 8.230 nan 0.000 0.434 251 F N -2.396 117.424 119.950 -0.216 0.000 2.602 251 F HA 0.167 4.693 4.527 -0.001 0.000 0.284 251 F C 1.958 177.566 175.800 -0.320 0.000 1.111 251 F CA 0.181 58.037 58.000 -0.240 0.000 1.405 251 F CB -0.227 38.609 39.000 -0.272 0.000 1.121 251 F HN -0.169 nan 8.300 nan 0.000 0.603 252 L N -0.215 120.817 121.223 -0.317 0.000 2.240 252 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 252 L C 1.893 178.463 176.870 -0.499 0.000 1.106 252 L CA 0.862 55.433 54.840 -0.449 0.000 0.793 252 L CB -0.510 41.129 42.059 -0.700 0.000 0.927 252 L HN 0.163 nan 8.230 nan 0.000 0.446 253 N N 0.013 118.537 118.700 -0.293 0.000 2.120 253 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 253 N C -0.962 174.529 175.510 -0.033 0.000 1.024 253 N CA 1.389 54.444 53.050 0.009 0.000 0.852 253 N CB -0.502 38.078 38.487 0.156 0.000 1.003 253 N HN 0.078 nan 8.380 nan 0.000 0.424 254 P HA -0.063 nan 4.420 nan 0.000 0.215 254 P C 1.174 178.405 177.300 -0.115 0.000 1.157 254 P CA 1.069 64.060 63.100 -0.183 0.000 0.863 254 P CB 0.107 31.616 31.700 -0.320 0.000 0.787 255 I N -2.721 117.761 120.570 -0.148 0.000 2.252 255 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 255 I C 1.926 177.885 176.117 -0.263 0.000 1.102 255 I CA 1.637 62.805 61.300 -0.221 0.000 1.385 255 I CB -0.429 37.379 38.000 -0.319 0.000 1.064 255 I HN -0.044 nan 8.210 nan 0.000 0.414 256 Y N -0.175 120.094 120.300 -0.053 0.000 2.509 256 Y HA 0.129 4.679 4.550 -0.000 0.000 0.270 256 Y C 2.139 178.085 175.900 0.076 0.000 1.103 256 Y CA 0.467 58.585 58.100 0.031 0.000 1.278 256 Y CB 0.181 38.697 38.460 0.093 0.000 1.087 256 Y HN -0.046 nan 8.280 nan 0.000 0.542 257 R N -1.509 119.107 120.500 0.193 0.000 2.521 257 R HA 0.276 4.616 4.340 -0.000 0.000 0.289 257 R C 1.086 177.438 176.300 0.087 0.000 0.936 257 R CA 0.590 56.787 56.100 0.162 0.000 1.089 257 R CB 1.001 31.425 30.300 0.207 0.000 1.348 257 R HN 0.246 nan 8.270 nan 0.000 0.536 258 G N 1.727 110.552 108.800 0.041 0.000 2.143 258 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 258 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 258 G C -0.345 174.561 174.900 0.009 0.000 0.981 258 G CA 0.603 45.710 45.100 0.012 0.000 0.665 258 G HN 0.369 nan 8.290 nan 0.000 0.528 259 D N -1.979 118.422 120.400 0.002 0.000 2.622 259 D HA 0.487 5.127 4.640 -0.000 0.000 0.255 259 D C -0.237 176.035 176.300 -0.047 0.000 1.246 259 D CA -0.661 53.354 54.000 0.026 0.000 0.795 259 D CB 0.584 41.461 40.800 0.127 0.000 1.369 259 D HN -0.054 nan 8.370 nan 0.000 0.425 260 Y N 0.435 120.811 120.300 0.126 0.000 2.426 260 Y HA 0.261 4.811 4.550 -0.000 0.000 0.344 260 Y C -1.360 174.580 175.900 0.065 0.000 1.256 260 Y CA -0.830 57.295 58.100 0.041 0.000 1.451 260 Y CB -0.208 38.228 38.460 -0.039 0.000 1.342 260 Y HN 0.092 nan 8.280 nan 0.000 0.600 261 P HA -0.023 nan 4.420 nan 0.000 0.269 261 P C 0.561 177.961 177.300 0.167 0.000 1.215 261 P CA -0.059 63.147 63.100 0.176 0.000 0.780 261 P CB 0.637 32.420 31.700 0.140 0.000 0.898 262 E N 1.969 122.255 120.200 0.143 0.000 2.049 262 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 262 E C 1.282 177.964 176.600 0.136 0.000 1.007 262 E CA 1.478 57.954 56.400 0.126 0.000 0.809 262 E CB -0.417 29.346 29.700 0.105 0.000 0.749 262 E HN 0.348 nan 8.360 nan 0.000 0.450 263 L N 0.433 121.757 121.223 0.168 0.000 2.217 263 L HA -0.079 4.260 4.340 -0.000 0.000 0.211 263 L C 2.519 179.580 176.870 0.318 0.000 1.107 263 L CA 0.226 55.205 54.840 0.232 0.000 0.783 263 L CB -0.099 42.141 42.059 0.300 0.000 0.919 263 L HN 0.123 nan 8.230 nan 0.000 0.442 264 V N 0.240 120.312 119.914 0.264 0.000 2.307 264 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 264 V C 2.408 178.564 176.094 0.103 0.000 1.045 264 V CA 1.510 63.978 62.300 0.280 0.000 1.024 264 V CB -0.269 31.684 31.823 0.216 0.000 0.651 264 V HN 0.337 nan 8.190 nan 0.000 0.449 265 L N -0.162 121.095 121.223 0.056 0.000 2.083 265 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 265 L C 2.583 179.413 176.870 -0.066 0.000 1.083 265 L CA 1.908 56.721 54.840 -0.044 0.000 0.752 265 L CB -0.505 41.579 42.059 0.041 0.000 0.899 265 L HN 0.444 nan 8.230 nan 0.000 0.433 266 E N 0.029 120.245 120.200 0.026 0.000 2.110 266 E HA -0.277 4.072 4.350 -0.000 0.000 0.193 266 E C 1.985 178.581 176.600 -0.007 0.000 0.988 266 E CA 1.613 58.023 56.400 0.015 0.000 0.804 266 E CB -0.012 29.725 29.700 0.061 0.000 0.745 266 E HN 0.511 nan 8.360 nan 0.000 0.458 267 F N -0.949 118.919 119.950 -0.137 0.000 2.582 267 F HA 0.376 4.903 4.527 -0.001 0.000 0.290 267 F C 1.348 176.956 175.800 -0.319 0.000 1.115 267 F CA 0.767 58.648 58.000 -0.198 0.000 1.445 267 F CB 0.318 39.208 39.000 -0.184 0.000 1.126 267 F HN 0.004 nan 8.300 nan 0.000 0.574 268 A N 0.337 122.688 122.820 -0.783 0.000 2.508 268 A HA 0.275 4.595 4.320 -0.000 0.000 0.250 268 A C 1.973 178.958 177.584 -0.997 0.000 1.208 268 A CA -0.190 51.099 52.037 -1.247 0.000 0.960 268 A CB -0.630 17.393 19.000 -1.629 0.000 1.099 268 A HN 0.346 nan 8.150 nan 0.000 0.542 269 R N 0.820 120.926 120.500 -0.656 0.000 2.105 269 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 269 R C 1.294 177.269 176.300 -0.542 0.000 1.135 269 R CA 2.142 57.946 56.100 -0.494 0.000 0.967 269 R CB -0.060 30.079 30.300 -0.267 0.000 0.861 269 R HN 0.494 nan 8.270 nan 0.000 0.442 270 E N -0.581 119.181 120.200 -0.730 0.000 2.209 270 E HA -0.198 4.151 4.350 -0.000 0.000 0.196 270 E C 1.332 177.541 176.600 -0.651 0.000 0.993 270 E CA 1.378 57.375 56.400 -0.672 0.000 0.819 270 E CB -0.287 28.930 29.700 -0.806 0.000 0.745 270 E HN 0.536 nan 8.360 nan 0.000 0.477 271 Y N 0.006 119.918 120.300 -0.647 0.000 2.503 271 Y HA 0.230 4.780 4.550 -0.000 0.000 0.278 271 Y C 0.898 176.575 175.900 -0.371 0.000 1.111 271 Y CA -0.322 57.347 58.100 -0.719 0.000 1.270 271 Y CB -0.293 37.546 38.460 -1.034 0.000 1.063 271 Y HN -0.074 nan 8.280 nan 0.000 0.548 272 L N 2.020 123.056 121.223 -0.312 0.000 2.464 272 L HA 0.200 4.540 4.340 -0.000 0.000 0.264 272 L C -2.064 174.754 176.870 -0.087 0.000 1.199 272 L CA -2.019 52.679 54.840 -0.238 0.000 0.818 272 L CB 0.126 41.878 42.059 -0.512 0.000 1.102 272 L HN -0.124 nan 8.230 nan 0.000 0.473 273 P HA 0.053 nan 4.420 nan 0.000 0.266 273 P C 0.431 177.774 177.300 0.073 0.000 1.195 273 P CA 0.230 63.343 63.100 0.021 0.000 0.768 273 P CB 0.526 32.230 31.700 0.007 0.000 0.838 274 E N 2.647 122.880 120.200 0.055 0.000 2.118 274 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 274 E C 1.009 177.639 176.600 0.049 0.000 0.992 274 E CA 1.438 57.871 56.400 0.055 0.000 0.804 274 E CB -0.943 nan 29.700 nan 0.000 0.741 274 E HN 0.538 nan 8.360 nan 0.000 0.458 275 N N -0.118 118.591 118.700 0.015 0.000 2.546 275 N HA 0.145 4.885 4.740 -0.000 0.000 0.286 275 N C 0.743 176.198 175.510 -0.091 0.000 1.259 275 N CA 0.306 53.322 53.050 -0.057 0.000 0.939 275 N CB 0.341 38.808 38.487 -0.033 0.000 1.243 275 N HN 0.683 nan 8.380 nan 0.000 0.511 276 Y N -0.053 120.203 120.300 -0.072 0.000 2.314 276 Y HA 0.088 4.638 4.550 -0.000 0.000 0.293 276 Y C 2.131 178.061 175.900 0.049 0.000 1.129 276 Y CA 0.852 58.855 58.100 -0.161 0.000 1.201 276 Y CB -0.119 38.100 38.460 -0.401 0.000 0.999 276 Y HN -0.146 nan 8.280 nan 0.000 0.541 277 K N 0.614 120.381 120.400 -1.054 0.000 2.280 277 K HA -0.162 4.158 4.320 -0.000 0.000 0.202 277 K C 0.941 177.425 176.600 -0.195 0.000 1.047 277 K CA 1.336 57.248 56.287 -0.625 0.000 0.942 277 K CB -0.210 31.875 32.500 -0.691 0.000 0.739 277 K HN 0.392 nan 8.250 nan 0.000 0.457 278 D N 1.254 121.572 120.400 -0.137 0.000 2.265 278 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 278 D C 0.963 177.271 176.300 0.013 0.000 0.977 278 D CA 1.091 55.063 54.000 -0.045 0.000 0.871 278 D CB -0.057 40.728 40.800 -0.026 0.000 0.925 278 D HN 0.257 nan 8.370 nan 0.000 0.485 279 D N -0.617 119.833 120.400 0.083 0.000 2.350 279 D HA 0.020 4.660 4.640 -0.000 0.000 0.213 279 D C 1.964 178.299 176.300 0.057 0.000 1.031 279 D CA -0.006 54.055 54.000 0.100 0.000 0.861 279 D CB 0.135 41.059 40.800 0.207 0.000 0.926 279 D HN 0.144 nan 8.370 nan 0.000 0.520 280 M N 0.369 120.001 119.600 0.052 0.000 2.213 280 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 280 M C 2.258 178.556 176.300 -0.003 0.000 1.062 280 M CA 0.705 56.016 55.300 0.019 0.000 1.105 280 M CB -0.784 31.822 32.600 0.010 0.000 1.385 280 M HN -0.070 nan 8.290 nan 0.000 0.417 281 S N 0.463 116.161 115.700 -0.003 0.000 2.356 281 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 281 S C 1.758 176.353 174.600 -0.009 0.000 1.032 281 S CA 1.634 59.830 58.200 -0.006 0.000 1.005 281 S CB -0.026 63.170 63.200 -0.006 0.000 0.867 281 S HN 0.515 nan 8.310 nan 0.000 0.449 282 E N 0.310 120.505 120.200 -0.008 0.000 2.110 282 E HA -0.036 4.313 4.350 -0.000 0.000 0.193 282 E C 1.947 178.537 176.600 -0.017 0.000 0.988 282 E CA 1.277 57.669 56.400 -0.013 0.000 0.804 282 E CB -0.220 29.474 29.700 -0.010 0.000 0.745 282 E HN 0.564 nan 8.360 nan 0.000 0.458 283 I N 1.265 121.825 120.570 -0.016 0.000 2.530 283 I HA -0.268 3.902 4.170 -0.000 0.000 0.257 283 I C 1.707 177.815 176.117 -0.014 0.000 1.179 283 I CA 1.087 62.381 61.300 -0.009 0.000 1.440 283 I CB -0.104 37.877 38.000 -0.033 0.000 1.087 283 I HN 0.106 nan 8.210 nan 0.000 0.440 284 Q N 0.588 120.370 119.800 -0.030 0.000 2.373 284 Q HA -0.026 4.314 4.340 -0.000 0.000 0.206 284 Q C 0.321 176.288 176.000 -0.056 0.000 0.942 284 Q CA -0.132 55.639 55.803 -0.052 0.000 0.953 284 Q CB -0.085 28.634 28.738 -0.031 0.000 1.022 284 Q HN 0.287 nan 8.270 nan 0.000 0.502 285 E N 2.592 122.764 120.200 -0.046 0.000 2.765 285 E HA -0.127 4.223 4.350 -0.000 0.000 0.256 285 E C -0.419 176.142 176.600 -0.065 0.000 0.935 285 E CA 0.476 56.843 56.400 -0.055 0.000 0.954 285 E CB 0.378 30.031 29.700 -0.079 0.000 0.908 285 E HN -0.036 nan 8.360 nan 0.000 0.500 286 K N 4.785 125.157 120.400 -0.046 0.000 2.401 286 K HA 0.138 4.458 4.320 -0.000 0.000 0.278 286 K C 0.096 176.670 176.600 -0.042 0.000 1.018 286 K CA -0.200 56.064 56.287 -0.038 0.000 0.981 286 K CB 0.159 32.664 32.500 0.009 0.000 0.933 286 K HN 0.608 nan 8.250 nan 0.000 0.477 287 I N 0.178 120.717 120.570 -0.051 0.000 2.863 287 I HA 0.311 4.480 4.170 -0.000 0.000 0.311 287 I C -0.085 176.046 176.117 0.023 0.000 1.026 287 I CA -0.860 60.410 61.300 -0.051 0.000 1.077 287 I CB 1.854 39.807 38.000 -0.079 0.000 1.262 287 I HN 0.530 nan 8.210 nan 0.000 0.461 288 D N 2.221 122.629 120.400 0.012 0.000 2.277 288 D HA 0.156 4.796 4.640 -0.000 0.000 0.209 288 D C -0.125 176.365 176.300 0.317 0.000 0.970 288 D CA 1.374 55.477 54.000 0.171 0.000 0.874 288 D CB 0.423 41.368 40.800 0.242 0.000 0.982 288 D HN 0.547 nan 8.370 nan 0.000 0.504 289 F N -1.276 118.776 119.950 0.170 0.000 2.668 289 F HA 0.567 5.094 4.527 -0.000 0.000 0.309 289 F C -1.444 174.481 175.800 0.208 0.000 1.117 289 F CA -1.398 56.739 58.000 0.228 0.000 0.951 289 F CB 1.144 40.363 39.000 0.366 0.000 1.323 289 F HN -0.408 nan 8.300 nan 0.000 0.451 290 V N 1.895 122.073 119.914 0.440 0.000 2.398 290 V HA 0.736 4.856 4.120 -0.000 0.000 0.286 290 V C 0.320 176.695 176.094 0.469 0.000 1.026 290 V CA -0.440 62.056 62.300 0.326 0.000 0.868 290 V CB 1.399 33.404 31.823 0.303 0.000 0.982 290 V HN 1.140 nan 8.190 nan 0.000 0.443 291 G N 5.224 114.216 108.800 0.320 0.000 2.322 291 G HA2 0.630 4.590 3.960 -0.000 0.000 0.309 291 G HA3 0.630 4.590 3.960 -0.000 0.000 0.309 291 G C -0.855 174.165 174.900 0.200 0.000 1.121 291 G CA -0.434 44.840 45.100 0.290 0.000 0.886 291 G HN 0.589 nan 8.290 nan 0.000 0.447 292 L N 2.728 124.107 121.223 0.259 0.000 2.313 292 L HA 0.378 4.717 4.340 -0.000 0.000 0.283 292 L C -0.574 176.445 176.870 0.247 0.000 1.013 292 L CA -1.180 53.836 54.840 0.293 0.000 0.816 292 L CB 1.760 44.012 42.059 0.322 0.000 1.236 292 L HN 0.361 nan 8.230 nan 0.000 0.419 293 N N 2.159 121.001 118.700 0.238 0.000 2.473 293 N HA 0.447 5.187 4.740 -0.000 0.000 0.291 293 N C -1.320 174.363 175.510 0.288 0.000 1.083 293 N CA -0.261 52.910 53.050 0.202 0.000 0.951 293 N CB 1.688 40.290 38.487 0.191 0.000 1.164 293 N HN 0.416 nan 8.380 nan 0.000 0.480 294 Y N 1.192 121.513 120.300 0.035 0.000 2.441 294 Y HA 0.341 4.891 4.550 -0.000 0.000 0.334 294 Y C -1.090 174.768 175.900 -0.070 0.000 1.061 294 Y CA -0.559 57.600 58.100 0.099 0.000 1.032 294 Y CB 0.774 39.337 38.460 0.172 0.000 1.266 294 Y HN 0.582 nan 8.280 nan 0.000 0.441 295 Y N 1.687 121.519 120.300 -0.779 0.000 2.550 295 Y HA 0.309 4.859 4.550 0.000 0.000 0.275 295 Y C 0.455 176.070 175.900 -0.474 0.000 1.148 295 Y CA 0.450 58.320 58.100 -0.383 0.000 1.200 295 Y CB 0.971 39.382 38.460 -0.081 0.000 1.299 295 Y HN 0.523 nan 8.280 nan 0.000 0.509 296 S N -0.614 114.693 115.700 -0.655 0.000 2.579 296 S HA 0.824 5.294 4.470 -0.000 0.000 0.272 296 S C -0.434 173.956 174.600 -0.351 0.000 1.141 296 S CA -0.466 57.545 58.200 -0.315 0.000 0.843 296 S CB 1.888 64.900 63.200 -0.313 0.000 1.122 296 S HN 0.251 nan 8.310 nan 0.000 0.468 297 G N 0.423 109.019 108.800 -0.340 0.000 2.453 297 G HA2 0.703 4.663 3.960 -0.000 0.000 0.323 297 G HA3 0.703 4.663 3.960 -0.000 0.000 0.323 297 G C -1.387 172.978 174.900 -0.893 0.000 1.198 297 G CA -0.634 44.235 45.100 -0.385 0.000 0.959 297 G HN 0.737 nan 8.290 nan 0.000 0.482 298 H N 0.770 119.598 119.070 -0.403 0.000 2.782 298 H HA 0.282 4.838 4.556 -0.000 0.000 0.347 298 H C -1.122 173.983 175.328 -0.371 0.000 1.038 298 H CA -0.609 55.174 56.048 -0.441 0.000 1.255 298 H CB 2.477 31.763 29.762 -0.793 0.000 1.623 298 H HN 0.368 nan 8.280 nan 0.000 0.525 299 L N 4.205 125.329 121.223 -0.165 0.000 2.319 299 L HA 0.302 4.641 4.340 -0.000 0.000 0.280 299 L C -0.095 176.733 176.870 -0.070 0.000 1.099 299 L CA -0.287 54.488 54.840 -0.110 0.000 0.828 299 L CB 0.557 42.585 42.059 -0.052 0.000 1.150 299 L HN 0.491 nan 8.230 nan 0.000 0.442 300 V N 2.391 122.288 119.914 -0.029 0.000 3.040 300 V HA 0.830 4.950 4.120 -0.000 0.000 0.312 300 V C -0.991 175.151 176.094 0.079 0.000 1.115 300 V CA -0.860 61.476 62.300 0.060 0.000 0.998 300 V CB 1.912 33.777 31.823 0.070 0.000 1.042 300 V HN 0.873 nan 8.190 nan 0.000 0.433 301 K N 2.337 122.807 120.400 0.117 0.000 2.482 301 K HA 0.634 4.954 4.320 -0.000 0.000 0.257 301 K C -1.086 175.593 176.600 0.131 0.000 0.969 301 K CA -0.737 55.620 56.287 0.117 0.000 0.842 301 K CB 2.326 34.887 32.500 0.101 0.000 1.359 301 K HN 0.704 nan 8.250 nan 0.000 0.441 302 F N 2.355 122.313 119.950 0.013 0.000 2.578 302 F HA 0.134 4.661 4.527 0.000 0.000 0.376 302 F C -0.360 175.436 175.800 -0.006 0.000 1.085 302 F CA 0.724 58.718 58.000 -0.010 0.000 1.260 302 F CB 0.645 39.634 39.000 -0.018 0.000 1.095 302 F HN 0.660 nan 8.300 nan 0.000 0.573 303 D N 8.556 128.495 120.400 -0.769 0.000 2.575 303 D HA 0.264 4.904 4.640 -0.000 0.000 0.250 303 D C -2.068 173.768 176.300 -0.772 0.000 1.279 303 D CA -2.072 51.599 54.000 -0.549 0.000 0.925 303 D CB 2.131 42.780 40.800 -0.253 0.000 1.261 303 D HN 0.217 nan 8.370 nan 0.000 0.567 304 P HA -0.043 nan 4.420 nan 0.000 0.218 304 P C 0.158 177.317 177.300 -0.235 0.000 1.149 304 P CA 0.820 63.680 63.100 -0.400 0.000 0.817 304 P CB 0.499 32.155 31.700 -0.072 0.000 0.785 305 D N -0.226 120.066 120.400 -0.179 0.000 2.434 305 D HA 0.299 4.939 4.640 -0.000 0.000 0.232 305 D C 0.581 176.805 176.300 -0.127 0.000 1.166 305 D CA 0.100 54.029 54.000 -0.118 0.000 0.830 305 D CB 0.062 40.817 40.800 -0.076 0.000 0.960 305 D HN 0.163 nan 8.370 nan 0.000 0.497 306 A N 1.326 124.039 122.820 -0.178 0.000 2.356 306 A HA 0.635 4.955 4.320 -0.000 0.000 0.323 306 A C -2.531 174.966 177.584 -0.144 0.000 1.119 306 A CA -1.561 50.384 52.037 -0.154 0.000 0.790 306 A CB 1.061 19.959 19.000 -0.171 0.000 1.273 306 A HN -0.150 nan 8.150 nan 0.000 0.452 307 P HA 0.339 nan 4.420 nan 0.000 0.267 307 P C 0.600 177.820 177.300 -0.135 0.000 1.205 307 P CA 1.367 64.422 63.100 -0.074 0.000 0.765 307 P CB 1.084 32.768 31.700 -0.026 0.000 0.828 308 A N 2.038 124.743 122.820 -0.192 0.000 3.413 308 A HA -0.157 4.163 4.320 -0.000 0.000 0.268 308 A C 1.306 178.614 177.584 -0.461 0.000 1.128 308 A CA 2.677 54.436 52.037 -0.463 0.000 1.062 308 A CB -2.811 15.900 19.000 -0.481 0.000 1.121 308 A HN 1.196 nan 8.150 nan 0.000 0.895 309 K N -3.177 117.023 120.400 -0.332 0.000 3.129 309 K HA 0.091 4.410 4.320 -0.000 0.000 0.273 309 K C 0.644 177.002 176.600 -0.404 0.000 1.123 309 K CA 2.156 58.189 56.287 -0.424 0.000 0.800 309 K CB -2.849 nan 32.500 nan 0.000 1.238 309 K HN 2.082 nan 8.250 nan 0.000 0.492 310 V N 0.194 119.962 119.914 -0.243 0.000 2.760 310 V HA 0.808 4.928 4.120 -0.000 0.000 0.309 310 V C 0.058 176.129 176.094 -0.039 0.000 1.077 310 V CA -0.503 61.743 62.300 -0.089 0.000 0.910 310 V CB 2.383 34.230 31.823 0.039 0.000 1.008 310 V HN 0.572 nan 8.190 nan 0.000 0.424 311 S N 3.106 118.830 115.700 0.041 0.000 2.570 311 S HA 0.801 5.271 4.470 -0.000 0.000 0.286 311 S C -1.120 173.685 174.600 0.341 0.000 1.099 311 S CA -0.447 57.804 58.200 0.085 0.000 0.913 311 S CB 1.584 64.790 63.200 0.011 0.000 1.085 311 S HN 0.417 nan 8.310 nan 0.000 0.480 312 F N 1.453 121.423 119.950 0.034 0.000 2.379 312 F HA 0.537 5.064 4.527 0.000 0.000 0.332 312 F C 0.199 176.040 175.800 0.068 0.000 1.096 312 F CA -1.522 56.524 58.000 0.077 0.000 1.105 312 F CB 0.873 39.934 39.000 0.102 0.000 1.189 312 F HN 0.113 nan 8.300 nan 0.000 0.515 313 V N 2.022 122.076 119.914 0.233 0.000 2.409 313 V HA 0.206 4.326 4.120 -0.000 0.000 0.291 313 V C -0.034 176.136 176.094 0.128 0.000 1.020 313 V CA -1.182 61.205 62.300 0.144 0.000 0.848 313 V CB 1.444 33.321 31.823 0.091 0.000 0.990 313 V HN 0.686 nan 8.190 nan 0.000 0.430 314 E N 4.555 124.831 120.200 0.126 0.000 2.415 314 E HA 0.188 4.538 4.350 -0.000 0.000 0.263 314 E C -0.164 176.485 176.600 0.080 0.000 0.995 314 E CA -0.051 56.418 56.400 0.115 0.000 0.915 314 E CB 0.621 30.385 29.700 0.107 0.000 0.951 314 E HN 0.526 nan 8.360 nan 0.000 0.449 315 R N 2.737 123.280 120.500 0.072 0.000 2.787 315 R HA 0.172 4.512 4.340 -0.000 0.000 0.271 315 R C -0.764 175.573 176.300 0.062 0.000 0.993 315 R CA -0.835 55.298 56.100 0.054 0.000 0.993 315 R CB 0.912 31.233 30.300 0.036 0.000 1.155 315 R HN 0.423 nan 8.270 nan 0.000 0.486 316 D N 2.343 122.775 120.400 0.054 0.000 2.619 316 D HA 0.196 4.836 4.640 -0.000 0.000 0.224 316 D C -0.805 175.530 176.300 0.059 0.000 1.133 316 D CA 0.059 54.093 54.000 0.056 0.000 1.017 316 D CB -0.200 40.628 40.800 0.047 0.000 1.077 316 D HN 0.250 nan 8.370 nan 0.000 0.503 317 L N 1.694 122.960 121.223 0.071 0.000 2.303 317 L HA 0.584 4.923 4.340 -0.000 0.000 0.266 317 L C -2.023 174.909 176.870 0.103 0.000 1.011 317 L CA -2.553 52.336 54.840 0.081 0.000 0.818 317 L CB 1.726 43.835 42.059 0.082 0.000 1.326 317 L HN 0.035 nan 8.230 nan 0.000 0.435 318 P HA 0.122 nan 4.420 nan 0.000 0.266 318 P C -1.406 176.005 177.300 0.184 0.000 1.195 318 P CA 0.100 63.290 63.100 0.150 0.000 0.768 318 P CB 0.440 32.242 31.700 0.169 0.000 0.838 319 K N 0.456 120.965 120.400 0.183 0.000 2.395 319 K HA 0.542 4.861 4.320 -0.000 0.000 0.247 319 K C 0.348 177.030 176.600 0.135 0.000 0.973 319 K CA -0.784 55.604 56.287 0.168 0.000 0.828 319 K CB 1.529 34.103 32.500 0.124 0.000 1.272 319 K HN 0.415 nan 8.250 nan 0.000 0.439 320 T N -2.115 112.429 114.554 -0.016 0.000 2.814 320 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 320 T C 1.223 175.712 174.700 -0.352 0.000 0.998 320 T CA -0.217 61.646 62.100 -0.395 0.000 0.935 320 T CB 0.981 69.440 68.868 -0.682 0.000 1.167 320 T HN 0.537 nan 8.240 nan 0.000 0.545 321 A N -0.006 122.511 122.820 -0.505 0.000 2.172 321 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 321 A C 2.113 179.461 177.584 -0.393 0.000 1.154 321 A CA 0.737 52.577 52.037 -0.329 0.000 0.701 321 A CB -0.881 17.947 19.000 -0.288 0.000 0.789 321 A HN 0.722 nan 8.150 nan 0.000 0.465 322 M N -1.809 117.415 119.600 -0.627 0.000 2.541 322 M HA 0.139 4.619 4.480 -0.000 0.000 0.252 322 M C 1.565 177.539 176.300 -0.544 0.000 1.125 322 M CA 0.908 55.715 55.300 -0.822 0.000 1.091 322 M CB -0.909 30.527 32.600 -1.941 0.000 1.420 322 M HN 0.768 nan 8.290 nan 0.000 0.486 323 G N -0.387 108.238 108.800 -0.293 0.000 2.157 323 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.248 323 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.248 323 G C -0.506 174.502 174.900 0.181 0.000 0.979 323 G CA -0.308 44.778 45.100 -0.022 0.000 0.650 323 G HN 0.381 nan 8.290 nan 0.000 0.529 324 W N 1.706 123.038 121.300 0.053 0.000 2.287 324 W HA 0.585 5.244 4.660 -0.001 0.000 0.313 324 W C 0.675 177.233 176.519 0.065 0.000 1.267 324 W CA -1.485 55.907 57.345 0.078 0.000 1.201 324 W CB 0.163 29.674 29.460 0.085 0.000 1.196 324 W HN 0.234 nan 8.180 nan 0.000 0.536 325 E N 2.254 122.607 120.200 0.255 0.000 2.384 325 E HA 0.116 4.466 4.350 -0.000 0.000 0.266 325 E C -0.198 176.534 176.600 0.220 0.000 1.012 325 E CA -0.052 56.451 56.400 0.172 0.000 0.901 325 E CB 0.775 30.514 29.700 0.066 0.000 0.967 325 E HN 0.215 nan 8.360 nan 0.000 0.435 326 I N 3.624 124.357 120.570 0.271 0.000 2.291 326 I HA 0.079 4.249 4.170 -0.000 0.000 0.292 326 I C -0.616 175.653 176.117 0.253 0.000 1.064 326 I CA -0.350 61.169 61.300 0.366 0.000 1.269 326 I CB 0.595 38.854 38.000 0.431 0.000 1.418 326 I HN 0.196 nan 8.210 nan 0.000 0.485 327 V N 8.784 128.870 119.914 0.286 0.000 2.383 327 V HA 0.198 4.318 4.120 -0.000 0.000 0.264 327 V C -1.850 174.352 176.094 0.180 0.000 1.001 327 V CA -0.906 61.524 62.300 0.216 0.000 0.828 327 V CB 1.135 33.106 31.823 0.248 0.000 1.069 327 V HN 0.547 nan 8.190 nan 0.000 0.451 328 P HA -0.106 nan 4.420 nan 0.000 0.223 328 P C 1.544 178.695 177.300 -0.249 0.000 1.151 328 P CA 0.806 63.566 63.100 -0.566 0.000 0.787 328 P CB 0.323 31.593 31.700 -0.717 0.000 0.788 329 E N -0.102 120.025 120.200 -0.121 0.000 2.409 329 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 329 E C 1.893 178.342 176.600 -0.250 0.000 1.024 329 E CA 1.383 57.722 56.400 -0.101 0.000 0.861 329 E CB -1.381 28.291 29.700 -0.046 0.000 0.788 329 E HN 0.196 nan 8.360 nan 0.000 0.521 330 G N 1.659 110.241 108.800 -0.364 0.000 2.484 330 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.218 330 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.218 330 G C 1.548 175.966 174.900 -0.805 0.000 1.130 330 G CA 0.357 45.011 45.100 -0.743 0.000 0.784 330 G HN 0.327 nan 8.290 nan 0.000 0.543 331 I N -0.788 119.315 120.570 -0.779 0.000 2.439 331 I HA -0.047 4.123 4.170 -0.000 0.000 0.251 331 I C 2.353 178.395 176.117 -0.125 0.000 1.139 331 I CA 0.787 61.778 61.300 -0.514 0.000 1.438 331 I CB 0.008 37.977 38.000 -0.052 0.000 1.085 331 I HN 0.336 nan 8.210 nan 0.000 0.427 332 Y N 0.171 120.375 120.300 -0.160 0.000 2.145 332 Y HA -0.337 4.213 4.550 -0.000 0.000 0.286 332 Y C 2.232 178.081 175.900 -0.085 0.000 1.145 332 Y CA 2.093 60.140 58.100 -0.088 0.000 1.148 332 Y CB -0.684 37.732 38.460 -0.074 0.000 0.981 332 Y HN 0.361 nan 8.280 nan 0.000 0.507 333 W N 1.551 122.609 121.300 -0.404 0.000 2.355 333 W HA -0.232 4.428 4.660 -0.000 0.000 0.309 333 W C 2.194 178.539 176.519 -0.290 0.000 1.206 333 W CA 3.013 60.094 57.345 -0.440 0.000 1.284 333 W CB -0.428 28.686 29.460 -0.577 0.000 1.145 333 W HN 0.317 nan 8.180 nan 0.000 0.502 334 I N -1.065 119.554 120.570 0.083 0.000 2.394 334 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 334 I C 2.119 178.218 176.117 -0.031 0.000 1.136 334 I CA 1.756 63.150 61.300 0.156 0.000 1.425 334 I CB -1.188 37.037 38.000 0.375 0.000 1.079 334 I HN 0.043 nan 8.210 nan 0.000 0.425 335 L N 0.375 121.528 121.223 -0.117 0.000 2.056 335 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 335 L C 2.636 179.345 176.870 -0.268 0.000 1.078 335 L CA 1.261 56.021 54.840 -0.134 0.000 0.749 335 L CB -0.665 41.338 42.059 -0.093 0.000 0.901 335 L HN 0.181 nan 8.230 nan 0.000 0.433 336 K N 0.119 120.243 120.400 -0.461 0.000 2.097 336 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 336 K C 2.101 178.436 176.600 -0.441 0.000 1.050 336 K CA 1.168 57.157 56.287 -0.496 0.000 0.938 336 K CB -0.202 31.876 32.500 -0.703 0.000 0.718 336 K HN 0.050 nan 8.250 nan 0.000 0.442 337 K N 1.173 121.237 120.400 -0.561 0.000 2.155 337 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 337 K C 1.926 178.413 176.600 -0.188 0.000 1.052 337 K CA 0.509 56.488 56.287 -0.513 0.000 0.948 337 K CB -0.330 31.608 32.500 -0.936 0.000 0.728 337 K HN -0.076 nan 8.250 nan 0.000 0.448 338 V N 0.828 120.628 119.914 -0.189 0.000 2.548 338 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 338 V C 2.207 178.164 176.094 -0.228 0.000 1.055 338 V CA 1.823 63.917 62.300 -0.343 0.000 1.065 338 V CB -0.275 31.187 31.823 -0.601 0.000 0.681 338 V HN 0.399 nan 8.190 nan 0.000 0.462 339 K N -0.131 120.145 120.400 -0.208 0.000 2.026 339 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 339 K C 1.987 178.475 176.600 -0.187 0.000 1.048 339 K CA 2.122 58.303 56.287 -0.177 0.000 0.929 339 K CB -0.208 32.193 32.500 -0.165 0.000 0.713 339 K HN 0.629 nan 8.250 nan 0.000 0.439 340 E N 0.218 120.293 120.200 -0.208 0.000 2.110 340 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 340 E C 1.891 178.353 176.600 -0.231 0.000 0.988 340 E CA 1.313 57.594 56.400 -0.198 0.000 0.804 340 E CB 0.119 29.697 29.700 -0.203 0.000 0.745 340 E HN 0.444 nan 8.360 nan 0.000 0.458 341 E N -0.784 119.244 120.200 -0.288 0.000 2.140 341 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 341 E C 0.822 176.928 176.600 -0.824 0.000 0.973 341 E CA 0.728 56.816 56.400 -0.520 0.000 0.829 341 E CB 0.317 29.724 29.700 -0.488 0.000 0.781 341 E HN 0.300 nan 8.360 nan 0.000 0.466 342 Y N -0.849 119.340 120.300 -0.185 0.000 2.476 342 Y HA 0.209 4.759 4.550 -0.000 0.000 0.261 342 Y C 0.200 175.799 175.900 -0.503 0.000 1.077 342 Y CA -0.573 57.296 58.100 -0.385 0.000 1.240 342 Y CB 0.438 38.628 38.460 -0.450 0.000 1.317 342 Y HN -0.124 nan 8.280 nan 0.000 0.540 343 N N 1.441 120.012 118.700 -0.215 0.000 2.705 343 N HA -0.130 4.610 4.740 -0.000 0.000 0.255 343 N C -2.873 172.535 175.510 -0.170 0.000 1.008 343 N CA 0.219 53.165 53.050 -0.174 0.000 0.742 343 N CB -0.381 38.020 38.487 -0.144 0.000 0.906 343 N HN 0.166 nan 8.380 nan 0.000 0.541 344 P HA 0.148 nan 4.420 nan 0.000 0.271 344 P C -1.789 175.549 177.300 0.064 0.000 1.216 344 P CA -1.070 62.040 63.100 0.016 0.000 0.776 344 P CB 0.586 32.361 31.700 0.124 0.000 0.881 345 P HA -0.042 nan 4.420 nan 0.000 0.218 345 P C 0.029 177.389 177.300 0.100 0.000 1.149 345 P CA 1.425 64.586 63.100 0.101 0.000 0.817 345 P CB 0.512 32.290 31.700 0.131 0.000 0.785 346 E N -1.419 118.875 120.200 0.156 0.000 2.356 346 E HA 0.507 4.856 4.350 -0.000 0.000 0.275 346 E C -1.391 175.310 176.600 0.169 0.000 0.904 346 E CA -0.934 55.537 56.400 0.118 0.000 0.757 346 E CB 2.950 32.748 29.700 0.163 0.000 1.232 346 E HN -0.337 nan 8.360 nan 0.000 0.442 347 V N 1.992 121.921 119.914 0.025 0.000 2.876 347 V HA 0.481 4.601 4.120 -0.000 0.000 0.312 347 V C -1.457 174.584 176.094 -0.088 0.000 1.085 347 V CA -0.836 61.528 62.300 0.107 0.000 0.945 347 V CB 1.380 33.250 31.823 0.077 0.000 1.017 347 V HN 0.585 nan 8.190 nan 0.000 0.428 348 Y N 2.492 122.892 120.300 0.168 0.000 2.462 348 Y HA 0.561 5.111 4.550 -0.000 0.000 0.346 348 Y C 0.002 176.006 175.900 0.173 0.000 0.976 348 Y CA -1.080 57.091 58.100 0.118 0.000 1.044 348 Y CB 1.838 40.322 38.460 0.040 0.000 1.230 348 Y HN 0.339 nan 8.280 nan 0.000 0.455 349 I N 3.148 123.928 120.570 0.350 0.000 2.347 349 I HA 0.030 4.200 4.170 -0.000 0.000 0.294 349 I C 1.122 177.400 176.117 0.267 0.000 1.090 349 I CA 0.216 61.692 61.300 0.294 0.000 1.314 349 I CB 0.377 38.576 38.000 0.331 0.000 1.423 349 I HN 0.820 nan 8.210 nan 0.000 0.503 350 T N 2.436 117.099 114.554 0.181 0.000 3.065 350 T HA 0.231 4.580 4.350 -0.000 0.000 0.252 350 T C 0.537 175.271 174.700 0.058 0.000 1.099 350 T CA 0.121 62.239 62.100 0.029 0.000 1.063 350 T CB 0.331 69.152 68.868 -0.079 0.000 0.948 350 T HN 0.560 nan 8.240 nan 0.000 0.506 351 E N 0.825 121.071 120.200 0.077 0.000 2.321 351 E HA 0.429 4.779 4.350 -0.000 0.000 0.281 351 E C -1.491 175.023 176.600 -0.145 0.000 0.910 351 E CA -0.715 55.732 56.400 0.078 0.000 0.770 351 E CB 1.895 31.678 29.700 0.139 0.000 1.225 351 E HN 0.221 nan 8.360 nan 0.000 0.417 352 N N 1.737 120.326 118.700 -0.185 0.000 2.371 352 N HA 0.630 5.369 4.740 -0.000 0.000 0.280 352 N C -1.167 174.361 175.510 0.030 0.000 1.084 352 N CA -0.229 52.669 53.050 -0.255 0.000 0.892 352 N CB 2.255 40.767 38.487 0.042 0.000 1.653 352 N HN 0.660 nan 8.380 nan 0.000 0.480 353 G N 0.652 109.518 108.800 0.110 0.000 2.321 353 G HA2 0.671 4.630 3.960 -0.000 0.000 0.296 353 G HA3 0.671 4.630 3.960 -0.000 0.000 0.296 353 G C -2.155 172.855 174.900 0.183 0.000 1.287 353 G CA -0.011 45.296 45.100 0.346 0.000 0.846 353 G HN 0.765 nan 8.290 nan 0.000 0.508 354 A N -1.439 121.427 122.820 0.077 0.000 2.589 354 A HA 0.970 5.290 4.320 -0.000 0.000 0.296 354 A C -0.269 176.794 177.584 -0.868 0.000 1.062 354 A CA 0.367 52.106 52.037 -0.498 0.000 0.686 354 A CB 1.226 19.570 19.000 -1.093 0.000 1.282 354 A HN 2.468 nan 8.150 nan 0.000 0.404 355 A N 1.145 123.072 122.820 -1.488 0.000 2.301 355 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 355 A C -0.941 176.006 177.584 -1.062 0.000 1.185 355 A CA 0.026 51.251 52.037 -1.352 0.000 0.830 355 A CB -0.203 17.933 19.000 -1.442 0.000 1.112 355 A HN 0.894 nan 8.150 nan 0.000 0.508 356 F N -0.054 119.706 119.950 -0.317 0.000 2.643 356 F HA 0.336 4.863 4.527 -0.000 0.000 0.314 356 F C 0.002 175.737 175.800 -0.108 0.000 1.096 356 F CA -0.874 57.021 58.000 -0.174 0.000 0.953 356 F CB 1.804 40.736 39.000 -0.114 0.000 1.345 356 F HN 0.545 nan 8.300 nan 0.000 0.468 357 D N 1.729 122.228 120.400 0.165 0.000 2.608 357 D HA 0.061 4.700 4.640 -0.000 0.000 0.224 357 D C -0.719 175.648 176.300 0.111 0.000 1.123 357 D CA -0.113 53.946 54.000 0.097 0.000 1.030 357 D CB -0.553 40.289 40.800 0.071 0.000 1.093 357 D HN 0.275 nan 8.370 nan 0.000 0.497 358 D N 1.266 121.751 120.400 0.141 0.000 2.414 358 D HA 0.121 4.761 4.640 -0.000 0.000 0.242 358 D C 0.570 176.950 176.300 0.133 0.000 1.129 358 D CA 0.073 54.160 54.000 0.144 0.000 0.885 358 D CB 1.688 42.626 40.800 0.229 0.000 1.198 358 D HN 0.227 nan 8.370 nan 0.000 0.437 359 V N -1.194 118.726 119.914 0.009 0.000 3.102 359 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 359 V C -0.323 175.626 176.094 -0.240 0.000 1.135 359 V CA -1.013 61.245 62.300 -0.070 0.000 1.022 359 V CB 1.915 33.727 31.823 -0.020 0.000 1.056 359 V HN 0.192 nan 8.190 nan 0.000 0.436 360 V N 2.575 122.300 119.914 -0.314 0.000 2.385 360 V HA 0.426 4.545 4.120 -0.000 0.000 0.269 360 V C 0.761 176.759 176.094 -0.160 0.000 1.043 360 V CA 0.198 62.301 62.300 -0.328 0.000 0.906 360 V CB 0.734 32.337 31.823 -0.366 0.000 0.995 360 V HN 1.051 nan 8.190 nan 0.000 0.467 361 S N 3.342 118.970 115.700 -0.121 0.000 2.634 361 S HA 0.142 4.612 4.470 -0.000 0.000 0.261 361 S C 1.296 175.877 174.600 -0.032 0.000 1.271 361 S CA -0.604 57.578 58.200 -0.029 0.000 0.985 361 S CB 0.743 63.991 63.200 0.079 0.000 0.968 361 S HN 0.803 nan 8.310 nan 0.000 0.568 362 E N 1.524 121.720 120.200 -0.006 0.000 2.160 362 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 362 E C 1.326 177.922 176.600 -0.007 0.000 0.991 362 E CA 1.172 57.566 56.400 -0.009 0.000 0.810 362 E CB -0.378 29.321 29.700 -0.002 0.000 0.742 362 E HN 0.690 nan 8.360 nan 0.000 0.466 363 D N -0.926 119.482 120.400 0.013 0.000 2.378 363 D HA -0.035 4.604 4.640 -0.000 0.000 0.227 363 D C 1.294 177.583 176.300 -0.019 0.000 1.012 363 D CA 0.965 54.974 54.000 0.015 0.000 0.905 363 D CB -0.258 40.583 40.800 0.067 0.000 0.895 363 D HN 0.197 nan 8.370 nan 0.000 0.532 364 G N -0.156 108.614 108.800 -0.051 0.000 2.157 364 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 364 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 364 G C 0.305 175.129 174.900 -0.127 0.000 0.979 364 G CA 0.071 45.123 45.100 -0.080 0.000 0.650 364 G HN 0.509 nan 8.290 nan 0.000 0.529 365 R N -1.056 119.334 120.500 -0.183 0.000 2.782 365 R HA 0.681 5.021 4.340 -0.000 0.000 0.258 365 R C -0.449 175.584 176.300 -0.444 0.000 1.055 365 R CA -0.754 55.158 56.100 -0.312 0.000 1.065 365 R CB 1.945 31.980 30.300 -0.442 0.000 1.172 365 R HN 0.073 nan 8.270 nan 0.000 0.510 366 V N 2.880 122.546 119.914 -0.413 0.000 2.293 366 V HA 0.168 4.287 4.120 -0.000 0.000 0.275 366 V C -0.546 175.384 176.094 -0.274 0.000 1.021 366 V CA -0.684 61.418 62.300 -0.330 0.000 0.815 366 V CB 0.829 32.516 31.823 -0.226 0.000 1.025 366 V HN 0.627 nan 8.190 nan 0.000 0.448 367 H N 4.690 123.737 119.070 -0.037 0.000 3.008 367 H HA 0.229 4.785 4.556 -0.000 0.000 0.268 367 H C -0.142 175.157 175.328 -0.049 0.000 1.323 367 H CA -0.442 55.590 56.048 -0.027 0.000 1.401 367 H CB 0.499 30.241 29.762 -0.034 0.000 1.556 367 H HN 0.741 nan 8.280 nan 0.000 0.502 368 D N 1.916 122.339 120.400 0.037 0.000 2.970 368 D HA -0.024 4.616 4.640 -0.000 0.000 0.282 368 D C 1.023 177.258 176.300 -0.108 0.000 1.291 368 D CA -0.420 53.557 54.000 -0.038 0.000 0.967 368 D CB 0.375 41.173 40.800 -0.003 0.000 1.017 368 D HN 0.407 nan 8.370 nan 0.000 0.512 369 Q N 0.912 120.643 119.800 -0.115 0.000 2.170 369 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 369 Q C 0.840 176.687 176.000 -0.254 0.000 0.976 369 Q CA 1.128 56.836 55.803 -0.159 0.000 0.858 369 Q CB 0.143 28.807 28.738 -0.123 0.000 0.907 369 Q HN 0.203 nan 8.270 nan 0.000 0.433 370 N N 0.654 119.115 118.700 -0.398 0.000 2.094 370 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 370 N C 1.629 176.823 175.510 -0.526 0.000 1.023 370 N CA 1.375 54.019 53.050 -0.676 0.000 0.857 370 N CB -0.365 37.244 38.487 -1.463 0.000 1.013 370 N HN 0.280 nan 8.380 nan 0.000 0.426 371 R N 0.567 120.848 120.500 -0.365 0.000 2.090 371 R HA 0.097 4.437 4.340 -0.000 0.000 0.228 371 R C 2.138 178.435 176.300 -0.005 0.000 1.110 371 R CA 0.626 56.761 56.100 0.058 0.000 0.973 371 R CB -0.146 30.242 30.300 0.148 0.000 0.869 371 R HN 0.169 nan 8.270 nan 0.000 0.440 372 I N 1.086 121.524 120.570 -0.220 0.000 2.179 372 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 372 I C 1.543 177.366 176.117 -0.490 0.000 1.088 372 I CA 1.389 62.336 61.300 -0.589 0.000 1.357 372 I CB -0.286 37.278 38.000 -0.727 0.000 1.051 372 I HN 0.205 nan 8.210 nan 0.000 0.409 373 D N -0.176 120.081 120.400 -0.239 0.000 2.144 373 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 373 D C 1.894 178.235 176.300 0.067 0.000 0.978 373 D CA 1.251 55.186 54.000 -0.108 0.000 0.833 373 D CB -0.276 40.484 40.800 -0.067 0.000 0.961 373 D HN 0.374 nan 8.370 nan 0.000 0.470 374 Y N 1.615 121.961 120.300 0.077 0.000 2.114 374 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 374 Y C 2.254 178.371 175.900 0.361 0.000 1.143 374 Y CA 1.333 59.609 58.100 0.293 0.000 1.135 374 Y CB -0.415 38.274 38.460 0.382 0.000 0.980 374 Y HN -0.129 nan 8.280 nan 0.000 0.499 375 L N 0.403 121.892 121.223 0.443 0.000 2.046 375 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 375 L C 2.643 179.737 176.870 0.373 0.000 1.077 375 L CA 1.893 57.001 54.840 0.445 0.000 0.747 375 L CB -0.656 41.653 42.059 0.416 0.000 0.896 375 L HN 0.175 nan 8.230 nan 0.000 0.432 376 K N 0.480 120.982 120.400 0.169 0.000 2.032 376 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 376 K C 2.142 178.871 176.600 0.215 0.000 1.048 376 K CA 1.569 58.033 56.287 0.293 0.000 0.927 376 K CB -0.110 32.456 32.500 0.109 0.000 0.712 376 K HN 0.277 nan 8.250 nan 0.000 0.441 377 A N 0.676 123.568 122.820 0.119 0.000 1.877 377 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 377 A C 1.783 179.353 177.584 -0.023 0.000 1.186 377 A CA 1.820 53.864 52.037 0.012 0.000 0.620 377 A CB -0.907 18.047 19.000 -0.077 0.000 0.822 377 A HN 0.485 nan 8.150 nan 0.000 0.443 378 H N -0.393 118.712 119.070 0.058 0.000 2.353 378 H HA 0.009 4.565 4.556 -0.000 0.000 0.300 378 H C 1.887 177.348 175.328 0.222 0.000 1.090 378 H CA 1.731 57.865 56.048 0.145 0.000 1.327 378 H CB -0.256 29.614 29.762 0.181 0.000 1.383 378 H HN 0.456 nan 8.280 nan 0.000 0.508 379 I N -0.001 120.754 120.570 0.309 0.000 2.286 379 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 379 I C 2.682 179.028 176.117 0.382 0.000 1.115 379 I CA 1.257 62.694 61.300 0.229 0.000 1.392 379 I CB -0.468 37.626 38.000 0.156 0.000 1.065 379 I HN 0.388 nan 8.210 nan 0.000 0.418 380 G N -0.028 108.936 108.800 0.273 0.000 2.440 380 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 380 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 380 G C 1.591 176.645 174.900 0.256 0.000 1.154 380 G CA 0.438 45.669 45.100 0.219 0.000 0.767 380 G HN 0.297 nan 8.290 nan 0.000 0.552 381 Q N 0.352 120.265 119.800 0.188 0.000 2.123 381 Q HA 0.090 4.430 4.340 -0.000 0.000 0.199 381 Q C 2.982 179.135 176.000 0.254 0.000 0.966 381 Q CA 1.168 57.070 55.803 0.164 0.000 0.845 381 Q CB -0.588 28.198 28.738 0.079 0.000 0.907 381 Q HN 0.448 nan 8.270 nan 0.000 0.439 382 A N 0.182 123.183 122.820 0.302 0.000 1.940 382 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 382 A C 1.871 179.583 177.584 0.214 0.000 1.176 382 A CA 1.354 53.580 52.037 0.316 0.000 0.631 382 A CB -1.064 18.199 19.000 0.439 0.000 0.814 382 A HN 0.550 nan 8.150 nan 0.000 0.446 383 W N 0.863 122.151 121.300 -0.020 0.000 2.338 383 W HA -0.215 4.445 4.660 -0.001 0.000 0.304 383 W C 2.212 178.586 176.519 -0.242 0.000 1.212 383 W CA 2.252 59.328 57.345 -0.449 0.000 1.264 383 W CB -0.075 29.098 29.460 -0.478 0.000 1.142 383 W HN 0.299 nan 8.180 nan 0.000 0.512 384 K N 0.193 120.621 120.400 0.047 0.000 2.063 384 K HA -0.207 4.112 4.320 -0.000 0.000 0.208 384 K C 2.152 178.713 176.600 -0.065 0.000 1.048 384 K CA 1.834 58.058 56.287 -0.105 0.000 0.928 384 K CB -0.560 31.943 32.500 0.004 0.000 0.713 384 K HN 0.157 nan 8.250 nan 0.000 0.442 385 A N 1.248 124.134 122.820 0.111 0.000 1.933 385 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 385 A C 2.062 179.566 177.584 -0.133 0.000 1.175 385 A CA 1.433 53.494 52.037 0.039 0.000 0.628 385 A CB -0.523 18.477 19.000 -0.000 0.000 0.814 385 A HN 0.367 nan 8.150 nan 0.000 0.444 386 I N -0.374 120.047 120.570 -0.249 0.000 2.252 386 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 386 I C 2.272 178.153 176.117 -0.393 0.000 1.102 386 I CA 1.007 62.113 61.300 -0.324 0.000 1.385 386 I CB -0.342 37.386 38.000 -0.454 0.000 1.064 386 I HN 0.334 nan 8.210 nan 0.000 0.414 387 Q N 0.813 120.267 119.800 -0.576 0.000 2.364 387 Q HA -0.150 4.189 4.340 -0.000 0.000 0.207 387 Q C 1.138 176.966 176.000 -0.287 0.000 0.970 387 Q CA 1.111 56.597 55.803 -0.528 0.000 0.888 387 Q CB -0.376 27.906 28.738 -0.760 0.000 0.951 387 Q HN 0.615 nan 8.270 nan 0.000 0.469 388 E N -0.628 119.451 120.200 -0.202 0.000 2.419 388 E HA 0.265 4.615 4.350 -0.000 0.000 0.190 388 E C 0.460 176.989 176.600 -0.119 0.000 1.040 388 E CA 0.242 56.572 56.400 -0.116 0.000 0.900 388 E CB 0.437 30.119 29.700 -0.030 0.000 1.054 388 E HN 0.426 nan 8.360 nan 0.000 0.462 389 G N 0.825 109.541 108.800 -0.139 0.000 2.176 389 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 389 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 389 G C 0.425 175.262 174.900 -0.106 0.000 0.986 389 G CA -0.088 44.943 45.100 -0.114 0.000 0.643 389 G HN 0.169 nan 8.290 nan 0.000 0.522 390 V N 2.758 122.602 119.914 -0.117 0.000 2.585 390 V HA 0.343 4.463 4.120 -0.000 0.000 0.296 390 V C -0.890 175.162 176.094 -0.070 0.000 1.035 390 V CA -0.267 61.974 62.300 -0.099 0.000 1.084 390 V CB 1.178 32.938 31.823 -0.106 0.000 0.953 390 V HN 0.262 nan 8.190 nan 0.000 0.483 391 P HA 0.158 nan 4.420 nan 0.000 0.220 391 P C -0.453 176.821 177.300 -0.045 0.000 1.806 391 P CA -0.386 62.691 63.100 -0.039 0.000 0.976 391 P CB 0.267 31.952 31.700 -0.025 0.000 1.952 392 L N 2.182 123.399 121.223 -0.009 0.000 2.385 392 L HA 0.119 4.458 4.340 -0.000 0.000 0.281 392 L C 1.217 178.118 176.870 0.052 0.000 1.106 392 L CA 0.595 55.457 54.840 0.036 0.000 0.856 392 L CB 0.428 42.593 42.059 0.176 0.000 1.186 392 L HN -0.110 nan 8.230 nan 0.000 0.453 393 K N 3.824 124.006 120.400 -0.363 0.000 2.361 393 K HA 0.453 4.772 4.320 -0.000 0.000 0.194 393 K C 0.528 176.571 176.600 -0.929 0.000 1.032 393 K CA 0.555 56.507 56.287 -0.558 0.000 1.048 393 K CB 0.631 32.636 32.500 -0.824 0.000 0.842 393 K HN 0.764 nan 8.250 nan 0.000 0.526 394 G N 0.067 108.252 108.800 -1.025 0.000 2.466 394 G HA2 0.373 4.332 3.960 -0.000 0.000 0.291 394 G HA3 0.373 4.332 3.960 -0.000 0.000 0.291 394 G C -2.318 172.344 174.900 -0.397 0.000 1.460 394 G CA -0.705 43.687 45.100 -1.181 0.000 0.791 394 G HN 0.012 nan 8.290 nan 0.000 0.505 395 Y N 0.054 120.030 120.300 -0.539 0.000 2.362 395 Y HA 0.711 5.261 4.550 -0.000 0.000 0.326 395 Y C -1.971 173.894 175.900 -0.058 0.000 1.083 395 Y CA -1.406 56.691 58.100 -0.006 0.000 1.073 395 Y CB 1.492 40.072 38.460 0.198 0.000 1.211 395 Y HN 0.461 nan 8.280 nan 0.000 0.433 396 F N 5.734 125.505 119.950 -0.299 0.000 2.449 396 F HA 0.548 5.075 4.527 -0.000 0.000 0.342 396 F C -0.385 175.238 175.800 -0.294 0.000 1.127 396 F CA -1.129 56.773 58.000 -0.162 0.000 0.975 396 F CB 1.626 40.559 39.000 -0.112 0.000 1.146 396 F HN 0.210 nan 8.300 nan 0.000 0.444 397 V N 3.868 123.779 119.914 -0.005 0.000 2.508 397 V HA -0.040 4.080 4.120 -0.000 0.000 0.281 397 V C -0.275 175.898 176.094 0.131 0.000 1.041 397 V CA -0.617 61.666 62.300 -0.029 0.000 1.016 397 V CB 0.748 32.464 31.823 -0.178 0.000 0.984 397 V HN 0.727 nan 8.190 nan 0.000 0.478 398 W N 5.706 127.039 121.300 0.054 0.000 2.332 398 W HA 0.552 5.212 4.660 -0.000 0.000 0.306 398 W C -0.039 176.597 176.519 0.195 0.000 1.149 398 W CA -0.022 57.396 57.345 0.122 0.000 1.271 398 W CB 1.566 31.125 29.460 0.164 0.000 1.243 398 W HN 0.616 nan 8.180 nan 0.000 0.459 399 S N 4.158 119.688 115.700 -0.283 0.000 2.667 399 S HA 0.299 4.769 4.470 -0.000 0.000 0.292 399 S C 0.423 174.842 174.600 -0.301 0.000 1.126 399 S CA -0.717 57.047 58.200 -0.728 0.000 0.881 399 S CB 1.479 63.858 63.200 -1.370 0.000 1.132 399 S HN 0.534 nan 8.310 nan 0.000 0.492 400 L N 2.457 123.532 121.223 -0.247 0.000 2.012 400 L HA 0.293 4.633 4.340 -0.000 0.000 0.210 400 L C -0.092 176.700 176.870 -0.130 0.000 1.073 400 L CA 1.977 56.745 54.840 -0.121 0.000 0.748 400 L CB -0.424 41.584 42.059 -0.085 0.000 0.891 400 L HN 0.625 nan 8.230 nan 0.000 0.431 401 L N -0.082 121.034 121.223 -0.179 0.000 2.362 401 L HA 0.371 4.711 4.340 -0.000 0.000 0.271 401 L C -0.573 176.235 176.870 -0.103 0.000 1.002 401 L CA -1.253 53.512 54.840 -0.125 0.000 0.818 401 L CB 1.323 43.320 42.059 -0.104 0.000 1.298 401 L HN -0.116 nan 8.230 nan 0.000 0.420 402 D N 2.901 123.265 120.400 -0.060 0.000 2.506 402 D HA 0.114 4.753 4.640 -0.000 0.000 0.234 402 D C -0.352 176.028 176.300 0.134 0.000 1.143 402 D CA 0.651 54.666 54.000 0.026 0.000 0.871 402 D CB 0.422 41.165 40.800 -0.094 0.000 1.190 402 D HN 0.690 nan 8.370 nan 0.000 0.459 403 N N -0.082 118.760 118.700 0.237 0.000 3.277 403 N HA 0.149 4.888 4.740 -0.000 0.000 0.278 403 N C -1.069 174.563 175.510 0.204 0.000 1.544 403 N CA -0.811 52.399 53.050 0.268 0.000 0.869 403 N CB 0.557 39.081 38.487 0.061 0.000 1.584 403 N HN 0.214 nan 8.380 nan 0.000 0.564 404 F N 1.561 121.423 119.950 -0.147 0.000 2.506 404 F HA 0.104 4.630 4.527 -0.001 0.000 0.369 404 F C 0.753 176.166 175.800 -0.644 0.000 1.114 404 F CA -0.041 57.543 58.000 -0.694 0.000 1.121 404 F CB 0.308 38.888 39.000 -0.701 0.000 1.104 404 F HN 0.551 nan 8.300 nan 0.000 0.564 405 E N 7.432 127.152 120.200 -0.799 0.000 2.232 405 E HA 0.168 4.517 4.350 -0.000 0.000 0.296 405 E C -0.270 175.957 176.600 -0.623 0.000 1.372 405 E CA -0.141 55.924 56.400 -0.558 0.000 1.527 405 E CB -0.543 29.092 29.700 -0.108 0.000 1.424 405 E HN 0.713 nan 8.360 nan 0.000 0.485 406 W N 0.859 121.624 121.300 -0.892 0.000 2.047 406 W HA -0.467 4.193 4.660 -0.001 0.000 0.283 406 W C 1.761 178.054 176.519 -0.376 0.000 1.201 406 W CA 0.811 57.734 57.345 -0.704 0.000 1.140 406 W CB -1.616 27.627 29.460 -0.361 0.000 0.885 406 W HN 0.321 nan 8.180 nan 0.000 0.538 407 A N 0.166 123.264 122.820 0.463 0.000 2.172 407 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 407 A C 1.538 179.209 177.584 0.146 0.000 1.154 407 A CA 1.842 54.130 52.037 0.419 0.000 0.701 407 A CB -0.569 18.759 19.000 0.547 0.000 0.789 407 A HN 0.467 nan 8.150 nan 0.000 0.465 408 E N -0.434 119.782 120.200 0.026 0.000 2.478 408 E HA 0.206 4.556 4.350 -0.000 0.000 0.194 408 E C 1.480 177.958 176.600 -0.203 0.000 1.045 408 E CA 0.533 56.903 56.400 -0.050 0.000 0.868 408 E CB -0.444 29.244 29.700 -0.020 0.000 0.885 408 E HN 0.619 nan 8.360 nan 0.000 0.505 409 G N 1.533 110.045 108.800 -0.481 0.000 2.582 409 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.288 409 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.288 409 G C 0.409 174.906 174.900 -0.671 0.000 1.247 409 G CA 0.543 45.226 45.100 -0.695 0.000 0.972 409 G HN 0.323 nan 8.290 nan 0.000 0.557 410 Y N 1.827 122.051 120.300 -0.128 0.000 2.529 410 Y HA 0.211 4.761 4.550 -0.001 0.000 0.290 410 Y C 3.017 178.894 175.900 -0.039 0.000 1.177 410 Y CA 1.256 59.273 58.100 -0.139 0.000 1.305 410 Y CB -0.051 38.192 38.460 -0.362 0.000 1.047 410 Y HN 0.610 nan 8.280 nan 0.000 0.522 411 S N -0.752 114.967 115.700 0.032 0.000 2.442 411 S HA -0.076 4.394 4.470 -0.000 0.000 0.236 411 S C 0.589 175.193 174.600 0.007 0.000 1.007 411 S CA 0.661 58.880 58.200 0.032 0.000 0.965 411 S CB -0.117 63.085 63.200 0.003 0.000 0.773 411 S HN -0.004 nan 8.310 nan 0.000 0.504 412 K N 1.904 122.302 120.400 -0.004 0.000 2.394 412 K HA 0.422 4.742 4.320 -0.000 0.000 0.260 412 K C -0.881 175.738 176.600 0.032 0.000 0.967 412 K CA -0.156 56.105 56.287 -0.044 0.000 0.855 412 K CB 1.575 34.051 32.500 -0.040 0.000 1.101 412 K HN 0.279 nan 8.250 nan 0.000 0.433 413 R N 2.571 123.041 120.500 -0.051 0.000 2.265 413 R HA 0.331 4.670 4.340 -0.000 0.000 0.328 413 R C 0.105 176.375 176.300 -0.050 0.000 0.969 413 R CA -0.249 55.867 56.100 0.026 0.000 0.832 413 R CB 0.481 30.794 30.300 0.022 0.000 1.139 413 R HN 0.486 nan 8.270 nan 0.000 0.457 414 F N 0.331 120.313 119.950 0.052 0.000 2.678 414 F HA 0.240 4.767 4.527 -0.001 0.000 0.305 414 F C 1.563 177.375 175.800 0.020 0.000 1.090 414 F CA -0.337 57.716 58.000 0.088 0.000 1.272 414 F CB 0.942 40.109 39.000 0.279 0.000 1.060 414 F HN 0.594 nan 8.300 nan 0.000 0.576 415 G N 0.825 109.697 108.800 0.120 0.000 2.539 415 G HA2 0.316 4.276 3.960 -0.000 0.000 0.258 415 G HA3 0.316 4.276 3.960 -0.000 0.000 0.258 415 G C 0.997 175.922 174.900 0.042 0.000 1.202 415 G CA -0.424 44.690 45.100 0.022 0.000 0.851 415 G HN 0.396 nan 8.290 nan 0.000 0.556 416 I N -1.738 118.837 120.570 0.008 0.000 3.684 416 I HA 0.298 4.468 4.170 -0.000 0.000 0.304 416 I C -0.351 175.758 176.117 -0.014 0.000 1.278 416 I CA -0.080 61.232 61.300 0.020 0.000 1.272 416 I CB 0.077 38.095 38.000 0.030 0.000 1.029 416 I HN -0.014 nan 8.210 nan 0.000 0.458 417 V N 1.141 121.042 119.914 -0.022 0.000 2.531 417 V HA 0.292 4.412 4.120 -0.000 0.000 0.301 417 V C -0.900 175.198 176.094 0.006 0.000 1.034 417 V CA -0.713 61.571 62.300 -0.026 0.000 0.865 417 V CB 1.540 33.327 31.823 -0.060 0.000 0.995 417 V HN 0.190 nan 8.190 nan 0.000 0.424 418 Y N 4.584 124.827 120.300 -0.095 0.000 2.359 418 Y HA 0.515 5.064 4.550 -0.000 0.000 0.330 418 Y C -0.092 175.707 175.900 -0.168 0.000 1.143 418 Y CA 0.067 58.100 58.100 -0.112 0.000 1.318 418 Y CB 1.296 39.696 38.460 -0.100 0.000 1.234 418 Y HN 0.416 nan 8.280 nan 0.000 0.522 419 V N 6.531 126.051 119.914 -0.657 0.000 2.384 419 V HA 0.132 4.251 4.120 -0.000 0.000 0.287 419 V C -0.555 174.967 176.094 -0.953 0.000 1.020 419 V CA -1.003 60.909 62.300 -0.646 0.000 0.850 419 V CB 1.381 32.796 31.823 -0.681 0.000 0.987 419 V HN 0.708 nan 8.190 nan 0.000 0.436 420 D N 3.556 123.709 120.400 -0.412 0.000 2.336 420 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 420 D C 0.345 176.467 176.300 -0.297 0.000 1.213 420 D CA -0.036 53.819 54.000 -0.241 0.000 0.870 420 D CB 0.981 41.801 40.800 0.034 0.000 1.076 420 D HN 0.496 nan 8.370 nan 0.000 0.483 421 Y N 1.739 121.967 120.300 -0.120 0.000 2.509 421 Y HA -0.062 4.488 4.550 0.000 0.000 0.293 421 Y C 2.529 178.365 175.900 -0.106 0.000 1.133 421 Y CA 0.286 58.291 58.100 -0.158 0.000 1.283 421 Y CB 0.032 38.341 38.460 -0.252 0.000 1.001 421 Y HN 0.345 nan 8.280 nan 0.000 0.555 422 S N -0.974 114.759 115.700 0.055 0.000 2.406 422 S HA -0.123 4.346 4.470 -0.000 0.000 0.228 422 S C 1.986 176.593 174.600 0.012 0.000 1.020 422 S CA 1.767 59.986 58.200 0.032 0.000 0.965 422 S CB -0.347 62.872 63.200 0.032 0.000 0.798 422 S HN 0.672 nan 8.310 nan 0.000 0.488 423 T N -2.658 111.895 114.554 -0.002 0.000 2.975 423 T HA 0.199 4.549 4.350 -0.000 0.000 0.257 423 T C 0.384 175.071 174.700 -0.021 0.000 1.003 423 T CA -0.084 62.011 62.100 -0.010 0.000 0.932 423 T CB 0.213 69.076 68.868 -0.009 0.000 1.087 423 T HN 0.053 nan 8.240 nan 0.000 0.512 424 Q N 0.243 120.021 119.800 -0.037 0.000 2.406 424 Q HA -0.179 4.161 4.340 -0.000 0.000 0.236 424 Q C 0.092 176.054 176.000 -0.064 0.000 0.799 424 Q CA 0.958 56.729 55.803 -0.054 0.000 1.286 424 Q CB -1.747 26.979 28.738 -0.022 0.000 1.615 424 Q HN 0.773 nan 8.270 nan 0.000 0.621 425 K N 1.277 121.646 120.400 -0.052 0.000 2.489 425 K HA 0.133 4.453 4.320 -0.000 0.000 0.278 425 K C -0.149 176.427 176.600 -0.041 0.000 1.000 425 K CA 0.215 56.480 56.287 -0.036 0.000 1.012 425 K CB 0.476 32.969 32.500 -0.013 0.000 0.903 425 K HN -0.072 nan 8.250 nan 0.000 0.485 426 R N 3.731 124.211 120.500 -0.034 0.000 2.312 426 R HA 0.417 4.757 4.340 -0.000 0.000 0.311 426 R C -0.691 175.611 176.300 0.004 0.000 1.004 426 R CA -0.226 55.859 56.100 -0.025 0.000 0.902 426 R CB 0.854 31.128 30.300 -0.043 0.000 1.073 426 R HN 0.512 nan 8.270 nan 0.000 0.457 427 I N 3.012 123.607 120.570 0.042 0.000 2.439 427 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 427 I C -0.487 175.634 176.117 0.005 0.000 1.021 427 I CA -1.127 60.187 61.300 0.023 0.000 1.091 427 I CB 2.000 39.997 38.000 -0.004 0.000 1.242 427 I HN 0.202 nan 8.210 nan 0.000 0.439 428 V N 7.037 126.927 119.914 -0.039 0.000 2.585 428 V HA 0.061 4.181 4.120 -0.000 0.000 0.296 428 V C 0.679 176.699 176.094 -0.123 0.000 1.035 428 V CA -0.171 62.028 62.300 -0.169 0.000 1.084 428 V CB 0.272 31.829 31.823 -0.444 0.000 0.953 428 V HN 0.662 nan 8.190 nan 0.000 0.483 429 K N 3.124 123.466 120.400 -0.095 0.000 2.102 429 K HA 0.198 4.517 4.320 -0.000 0.000 0.244 429 K C 0.614 177.232 176.600 0.030 0.000 1.021 429 K CA -0.728 55.546 56.287 -0.021 0.000 0.913 429 K CB 0.462 32.975 32.500 0.022 0.000 1.062 429 K HN 0.508 nan 8.250 nan 0.000 0.485 430 D N 0.579 121.048 120.400 0.115 0.000 2.149 430 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 430 D C 1.882 178.325 176.300 0.239 0.000 0.990 430 D CA 1.729 55.876 54.000 0.246 0.000 0.839 430 D CB -0.268 40.661 40.800 0.214 0.000 0.948 430 D HN 0.557 nan 8.370 nan 0.000 0.460 431 S N -0.335 115.456 115.700 0.151 0.000 2.399 431 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 431 S C 2.234 177.005 174.600 0.285 0.000 1.022 431 S CA 1.248 59.574 58.200 0.211 0.000 0.983 431 S CB -0.897 62.378 63.200 0.124 0.000 0.803 431 S HN 0.280 nan 8.310 nan 0.000 0.480 432 G N 0.394 109.252 108.800 0.096 0.000 2.404 432 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 432 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 432 G C 1.183 176.075 174.900 -0.013 0.000 1.174 432 G CA 0.802 45.899 45.100 -0.005 0.000 0.780 432 G HN 0.572 nan 8.290 nan 0.000 0.537 433 Y N -1.000 119.399 120.300 0.166 0.000 2.242 433 Y HA -0.021 4.529 4.550 -0.000 0.000 0.291 433 Y C 2.434 178.419 175.900 0.141 0.000 1.137 433 Y CA 0.599 58.769 58.100 0.117 0.000 1.181 433 Y CB -0.639 37.877 38.460 0.093 0.000 0.989 433 Y HN 0.423 nan 8.280 nan 0.000 0.527 434 W N -0.681 120.725 121.300 0.177 0.000 2.379 434 W HA -0.292 4.368 4.660 -0.000 0.000 0.307 434 W C 2.288 178.861 176.519 0.091 0.000 1.200 434 W CA 1.747 59.161 57.345 0.116 0.000 1.297 434 W CB -0.875 28.654 29.460 0.114 0.000 1.140 434 W HN 0.140 nan 8.180 nan 0.000 0.507 435 Y N 1.887 122.241 120.300 0.090 0.000 2.224 435 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 435 Y C 2.934 178.636 175.900 -0.330 0.000 1.146 435 Y CA 2.184 60.161 58.100 -0.204 0.000 1.182 435 Y CB -1.102 37.421 38.460 0.105 0.000 0.983 435 Y HN 0.094 nan 8.280 nan 0.000 0.524 436 S N 0.085 115.680 115.700 -0.176 0.000 2.374 436 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 436 S C 1.912 176.313 174.600 -0.333 0.000 1.037 436 S CA 1.623 59.679 58.200 -0.240 0.000 1.024 436 S CB -0.679 62.490 63.200 -0.051 0.000 0.861 436 S HN 0.546 nan 8.310 nan 0.000 0.456 437 N N 1.395 119.901 118.700 -0.322 0.000 2.166 437 N HA -0.012 4.728 4.740 -0.000 0.000 0.186 437 N C 1.836 177.018 175.510 -0.546 0.000 1.019 437 N CA 1.398 54.228 53.050 -0.367 0.000 0.856 437 N CB -0.806 37.490 38.487 -0.317 0.000 0.993 437 N HN 0.364 nan 8.380 nan 0.000 0.426 438 V N 0.966 120.387 119.914 -0.822 0.000 2.343 438 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 438 V C 2.440 177.872 176.094 -1.104 0.000 1.051 438 V CA 1.146 62.846 62.300 -1.001 0.000 1.036 438 V CB -0.422 30.640 31.823 -1.268 0.000 0.654 438 V HN 0.053 nan 8.190 nan 0.000 0.451 439 V N -0.235 118.987 119.914 -1.153 0.000 2.295 439 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 439 V C 2.391 178.196 176.094 -0.482 0.000 1.049 439 V CA 2.369 64.054 62.300 -1.025 0.000 1.024 439 V CB -0.693 30.676 31.823 -0.756 0.000 0.648 439 V HN 0.530 nan 8.190 nan 0.000 0.447 440 K N 0.438 120.615 120.400 -0.371 0.000 2.074 440 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 440 K C 1.740 178.239 176.600 -0.167 0.000 1.048 440 K CA 2.007 58.169 56.287 -0.208 0.000 0.926 440 K CB -0.149 32.239 32.500 -0.186 0.000 0.713 440 K HN 0.439 nan 8.250 nan 0.000 0.444 441 N N 0.837 119.400 118.700 -0.228 0.000 2.398 441 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 441 N C -0.152 175.315 175.510 -0.072 0.000 1.122 441 N CA 0.408 53.370 53.050 -0.147 0.000 0.866 441 N CB -0.013 38.365 38.487 -0.181 0.000 0.970 441 N HN 0.238 nan 8.380 nan 0.000 0.462 442 N N 0.262 118.913 118.700 -0.081 0.000 2.721 442 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 442 N C 0.122 175.791 175.510 0.264 0.000 1.072 442 N CA 1.139 54.304 53.050 0.192 0.000 0.710 442 N CB -1.090 37.572 38.487 0.292 0.000 0.993 442 N HN 0.546 nan 8.380 nan 0.000 0.547 443 G N -2.005 106.767 108.800 -0.047 0.000 2.356 443 G HA2 0.274 4.234 3.960 -0.000 0.000 0.266 443 G HA3 0.274 4.234 3.960 -0.000 0.000 0.266 443 G C -1.559 173.257 174.900 -0.141 0.000 1.312 443 G CA -0.436 44.723 45.100 0.098 0.000 0.922 443 G HN 0.257 nan 8.290 nan 0.000 0.480 444 L N 0.731 121.919 121.223 -0.058 0.000 2.325 444 L HA 0.686 5.026 4.340 -0.000 0.000 0.278 444 L C 0.612 177.412 176.870 -0.118 0.000 1.023 444 L CA -0.384 54.393 54.840 -0.105 0.000 0.811 444 L CB 1.406 43.442 42.059 -0.039 0.000 1.249 444 L HN 1.015 nan 8.230 nan 0.000 0.431 445 E N 0.000 120.145 120.200 -0.092 0.000 2.725 445 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 445 E CA 0.000 56.358 56.400 -0.069 0.000 0.976 445 E CB 0.000 29.660 29.700 -0.066 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440