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 1e1f_1_A DATA FIRST_RESID 12 DATA SEQUENCE MLSPSEIPQR DWFPSDFTFG AATSAYQIEG AWNEDGKGES NWDHFCHNHP DATA SEQUENCE ERILDGSNSD IGANSYHMYK TDVRLLKEMG MDAYRFSISW PRILPKGTKE DATA SEQUENCE GGINPDGIKY YRNLINLLLE NGIEPYVTIF HWDVPQALEE KYGGFLDKSH DATA SEQUENCE KSIVEDYTYF AKVCFDNFGD KVKNWLTFNE PQTFTSFSYG TGVFAPGRcS DATA SEQUENCE PGLDcAYPTG NSLVEPYTAG HNILLAHAEA VDLYNKHYKR DDTRIGLAFD DATA SEQUENCE VMGRVPYGTS FLDKQAEERS WDINLGWFLE PVVRGDYPFS MRSLARERLP DATA SEQUENCE FFKDEQKEKL AGSYNMLGLN YYTSRFSKNI DISPNYSPVL NTDDAYASQE DATA SEQUENCE VNGPDGKPIG PPMGNPWIYM YPEGLKDLLM IMKNKYGNPP IYITENGIGD DATA SEQUENCE VDTKETPLPM EAALNDYKRL DYIQRHIATL KESIDLGSNV QGYFAWSLLD DATA SEQUENCE NFEWFAGFTE RYGIVYVDRN NNCTRYMKES AKWLKEFNTA 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 12 M HA 0.000 nan 4.480 nan 0.000 0.227 12 M C 0.000 176.299 176.300 -0.001 0.000 1.140 12 M CA 0.000 55.300 55.300 -0.000 0.000 0.988 12 M CB 0.000 32.594 32.600 -0.011 0.000 1.302 13 L N 3.494 124.712 121.223 -0.008 0.000 2.485 13 L HA 0.273 4.613 4.340 0.001 0.000 0.275 13 L C 0.845 177.721 176.870 0.010 0.000 1.207 13 L CA 0.072 54.912 54.840 -0.000 0.000 0.855 13 L CB 1.055 43.104 42.059 -0.016 0.000 1.114 13 L HN 0.857 nan 8.230 nan 0.000 0.485 14 S N 3.026 118.742 115.700 0.026 0.000 2.655 14 S HA 0.345 4.815 4.470 0.001 0.000 0.265 14 S C -1.587 173.043 174.600 0.050 0.000 1.240 14 S CA -1.110 57.109 58.200 0.033 0.000 0.986 14 S CB 1.096 64.319 63.200 0.037 0.000 0.985 14 S HN 0.521 nan 8.310 nan 0.000 0.562 15 P HA -0.081 nan 4.420 nan 0.000 0.216 15 P C 1.536 178.897 177.300 0.103 0.000 1.153 15 P CA 1.646 64.788 63.100 0.071 0.000 0.844 15 P CB -0.442 31.294 31.700 0.059 0.000 0.787 16 S N -0.672 115.090 115.700 0.103 0.000 2.537 16 S HA -0.078 4.392 4.470 0.001 0.000 0.240 16 S C 1.650 176.377 174.600 0.211 0.000 0.981 16 S CA 0.776 59.061 58.200 0.143 0.000 0.948 16 S CB -0.893 62.366 63.200 0.098 0.000 0.759 16 S HN 0.277 nan 8.310 nan 0.000 0.531 17 E N 0.213 120.520 120.200 0.179 0.000 2.431 17 E HA 0.310 4.661 4.350 0.001 0.000 0.200 17 E C -0.090 176.646 176.600 0.226 0.000 0.995 17 E CA -0.230 56.304 56.400 0.222 0.000 0.915 17 E CB 0.231 30.005 29.700 0.123 0.000 0.930 17 E HN 0.553 nan 8.360 nan 0.000 0.496 18 I N 3.762 124.409 120.570 0.128 0.000 2.587 18 I HA 0.031 4.201 4.170 0.001 0.000 0.284 18 I C -2.176 173.889 176.117 -0.086 0.000 1.134 18 I CA -1.812 59.519 61.300 0.052 0.000 1.410 18 I CB 0.141 38.196 38.000 0.092 0.000 1.392 18 I HN -0.255 nan 8.210 nan 0.000 0.545 19 P HA -0.047 nan 4.420 nan 0.000 0.264 19 P C -0.795 176.242 177.300 -0.438 0.000 1.179 19 P CA 0.243 62.987 63.100 -0.593 0.000 0.763 19 P CB 0.452 32.219 31.700 0.112 0.000 0.806 20 Q N 1.629 120.663 119.800 -1.276 0.000 2.345 20 Q HA 0.357 4.698 4.340 0.001 0.000 0.268 20 Q C 0.852 176.417 176.000 -0.725 0.000 1.054 20 Q CA -0.637 54.661 55.803 -0.841 0.000 0.835 20 Q CB 1.379 29.652 28.738 -0.775 0.000 1.339 20 Q HN 0.024 nan 8.270 nan 0.000 0.447 21 R N 1.210 121.140 120.500 -0.951 0.000 2.115 21 R HA -0.106 4.234 4.340 0.001 0.000 0.230 21 R C 0.547 176.760 176.300 -0.145 0.000 1.111 21 R CA 2.177 57.782 56.100 -0.824 0.000 0.976 21 R CB -0.154 29.557 30.300 -0.981 0.000 0.870 21 R HN 0.828 nan 8.270 nan 0.000 0.445 22 D N -1.533 118.814 120.400 -0.088 0.000 2.392 22 D HA -0.128 4.512 4.640 0.001 0.000 0.228 22 D C -0.147 176.314 176.300 0.268 0.000 1.003 22 D CA 0.262 54.316 54.000 0.092 0.000 0.917 22 D CB -0.300 40.542 40.800 0.071 0.000 0.890 22 D HN 0.086 nan 8.370 nan 0.000 0.532 23 W N 0.375 121.685 121.300 0.016 0.000 2.089 23 W HA 0.475 5.135 4.660 0.001 0.000 0.362 23 W C 0.350 176.852 176.519 -0.028 0.000 1.362 23 W CA -1.403 55.858 57.345 -0.141 0.000 1.460 23 W CB -0.489 28.804 29.460 -0.278 0.000 1.204 23 W HN -0.211 nan 8.180 nan 0.000 0.657 24 F N -0.856 119.158 119.950 0.108 0.000 2.090 24 F HA -0.229 4.299 4.527 0.001 0.000 0.460 24 F C -1.491 174.331 175.800 0.037 0.000 1.223 24 F CA -1.044 56.899 58.000 -0.095 0.000 1.482 24 F CB -1.574 37.305 39.000 -0.202 0.000 2.367 24 F HN 0.060 nan 8.300 nan 0.000 0.726 25 P HA 0.134 nan 4.420 nan 0.000 0.288 25 P C 0.332 177.788 177.300 0.261 0.000 1.291 25 P CA 0.081 63.310 63.100 0.214 0.000 0.766 25 P CB 0.573 32.392 31.700 0.197 0.000 1.242 26 S N -0.922 114.896 115.700 0.198 0.000 2.446 26 S HA -0.062 4.408 4.470 0.001 0.000 0.225 26 S C 1.343 176.064 174.600 0.202 0.000 1.016 26 S CA 0.874 59.182 58.200 0.180 0.000 0.943 26 S CB -0.662 62.612 63.200 0.123 0.000 0.786 26 S HN 0.463 nan 8.310 nan 0.000 0.508 27 D N 0.973 121.501 120.400 0.213 0.000 2.117 27 D HA 0.043 4.684 4.640 0.001 0.000 0.198 27 D C 0.345 176.779 176.300 0.222 0.000 0.982 27 D CA 0.362 54.481 54.000 0.198 0.000 0.828 27 D CB -0.354 40.557 40.800 0.185 0.000 0.967 27 D HN 0.251 nan 8.370 nan 0.000 0.464 28 F N 1.171 121.191 119.950 0.116 0.000 2.604 28 F HA -0.074 4.453 4.527 0.001 0.000 0.390 28 F C 1.110 176.906 175.800 -0.007 0.000 1.053 28 F CA 0.444 58.471 58.000 0.045 0.000 1.256 28 F CB 0.404 39.448 39.000 0.074 0.000 0.996 28 F HN -0.269 nan 8.300 nan 0.000 0.564 29 T N 5.118 119.444 114.554 -0.380 0.000 2.823 29 T HA 0.616 4.967 4.350 0.001 0.000 0.279 29 T C -0.925 173.429 174.700 -0.576 0.000 0.998 29 T CA -0.536 61.398 62.100 -0.277 0.000 0.994 29 T CB 0.472 69.222 68.868 -0.196 0.000 0.960 29 T HN 0.289 nan 8.240 nan 0.000 0.448 30 F N 2.267 122.089 119.950 -0.213 0.000 2.520 30 F HA 0.799 5.326 4.527 0.001 0.000 0.322 30 F C 0.838 176.445 175.800 -0.322 0.000 1.103 30 F CA -0.033 57.835 58.000 -0.221 0.000 0.926 30 F CB 2.547 41.548 39.000 0.001 0.000 1.154 30 F HN 1.088 nan 8.300 nan 0.000 0.453 31 G N 0.595 109.227 108.800 -0.281 0.000 2.634 31 G HA2 0.764 4.724 3.960 0.001 0.000 0.309 31 G HA3 0.764 4.724 3.960 0.001 0.000 0.309 31 G C -2.149 172.798 174.900 0.079 0.000 1.299 31 G CA -0.379 44.634 45.100 -0.144 0.000 0.798 31 G HN 0.837 nan 8.290 nan 0.000 0.490 32 A N -1.532 121.479 122.820 0.318 0.000 2.479 32 A HA 1.049 5.370 4.320 0.001 0.000 0.296 32 A C -0.256 177.581 177.584 0.421 0.000 1.121 32 A CA 0.090 52.319 52.037 0.320 0.000 0.743 32 A CB 1.556 20.674 19.000 0.198 0.000 1.323 32 A HN 2.337 nan 8.150 nan 0.000 0.415 33 A N -0.190 122.753 122.820 0.205 0.000 2.469 33 A HA 0.986 5.306 4.320 0.001 0.000 0.299 33 A C -0.149 177.316 177.584 -0.198 0.000 1.098 33 A CA 0.090 52.163 52.037 0.061 0.000 0.737 33 A CB 1.440 20.538 19.000 0.164 0.000 1.312 33 A HN 2.188 nan 8.150 nan 0.000 0.414 34 T N -1.893 112.583 114.554 -0.131 0.000 2.731 34 T HA 0.815 5.166 4.350 0.001 0.000 0.300 34 T C -0.485 174.208 174.700 -0.012 0.000 1.283 34 T CA -0.032 61.941 62.100 -0.211 0.000 1.005 34 T CB 1.147 69.979 68.868 -0.059 0.000 1.420 34 T HN 2.072 nan 8.240 nan 0.000 0.503 35 S N -0.405 115.251 115.700 -0.073 0.000 2.548 35 S HA 0.723 5.193 4.470 0.001 0.000 0.276 35 S C 1.365 175.902 174.600 -0.105 0.000 1.129 35 S CA -0.210 57.821 58.200 -0.281 0.000 0.931 35 S CB 1.397 64.014 63.200 -0.973 0.000 1.068 35 S HN 1.575 nan 8.310 nan 0.000 0.480 36 A N 2.656 125.488 122.820 0.019 0.000 1.870 36 A HA -0.200 4.120 4.320 0.001 0.000 0.219 36 A C 1.792 179.431 177.584 0.091 0.000 1.286 36 A CA 2.458 54.586 52.037 0.152 0.000 0.682 36 A CB -1.956 17.202 19.000 0.264 0.000 0.844 36 A HN 1.352 nan 8.150 nan 0.000 0.460 37 Y N 0.724 121.025 120.300 0.002 0.000 2.256 37 Y HA -0.243 4.308 4.550 0.001 0.000 0.288 37 Y C 2.572 178.331 175.900 -0.235 0.000 1.155 37 Y CA 2.336 60.395 58.100 -0.068 0.000 1.203 37 Y CB -0.337 38.110 38.460 -0.021 0.000 0.980 37 Y HN 0.517 nan 8.280 nan 0.000 0.530 38 Q N -0.610 118.993 119.800 -0.327 0.000 2.291 38 Q HA -0.061 4.279 4.340 0.001 0.000 0.205 38 Q C 1.757 177.615 176.000 -0.238 0.000 0.970 38 Q CA 1.763 57.321 55.803 -0.409 0.000 0.876 38 Q CB 0.023 28.530 28.738 -0.384 0.000 0.935 38 Q HN 0.810 nan 8.270 nan 0.000 0.455 39 I N -5.089 115.390 120.570 -0.152 0.000 4.774 39 I HA 0.146 4.317 4.170 0.001 0.000 0.330 39 I C 1.384 177.490 176.117 -0.019 0.000 1.287 39 I CA -0.143 61.120 61.300 -0.062 0.000 1.311 39 I CB 0.216 38.207 38.000 -0.015 0.000 1.315 39 I HN -0.148 nan 8.210 nan 0.000 0.459 40 E N 2.816 123.010 120.200 -0.012 0.000 2.051 40 E HA 0.136 4.486 4.350 0.001 0.000 0.192 40 E C 1.531 178.127 176.600 -0.007 0.000 0.991 40 E CA 1.115 57.533 56.400 0.030 0.000 0.799 40 E CB -0.306 29.427 29.700 0.054 0.000 0.748 40 E HN 0.648 nan 8.360 nan 0.000 0.449 41 G N 0.764 109.522 108.800 -0.070 0.000 2.598 41 G HA2 -0.225 3.735 3.960 0.001 0.000 0.244 41 G HA3 -0.225 3.735 3.960 0.001 0.000 0.244 41 G C 0.304 175.193 174.900 -0.017 0.000 1.302 41 G CA 0.281 45.371 45.100 -0.018 0.000 0.903 41 G HN 0.984 nan 8.290 nan 0.000 0.575 42 A N -1.301 121.544 122.820 0.042 0.000 2.511 42 A HA -0.152 4.168 4.320 0.001 0.000 0.297 42 A C 1.370 178.847 177.584 -0.178 0.000 1.476 42 A CA 1.995 53.970 52.037 -0.103 0.000 0.757 42 A CB -2.016 16.759 19.000 -0.375 0.000 1.072 42 A HN 2.392 nan 8.150 nan 0.000 0.413 43 W N 0.695 121.934 121.300 -0.101 0.000 2.421 43 W HA -0.088 4.572 4.660 0.001 0.000 0.270 43 W C 0.587 177.098 176.519 -0.012 0.000 1.233 43 W CA 1.247 58.578 57.345 -0.024 0.000 1.226 43 W CB -0.734 28.777 29.460 0.086 0.000 1.121 43 W HN 1.029 nan 8.180 nan 0.000 0.579 44 N N 0.076 118.144 118.700 -1.053 0.000 2.377 44 N HA 0.080 4.820 4.740 0.001 0.000 0.259 44 N C -0.682 174.497 175.510 -0.552 0.000 1.332 44 N CA -0.193 52.261 53.050 -0.993 0.000 0.877 44 N CB -0.563 36.921 38.487 -1.672 0.000 1.299 44 N HN 0.171 nan 8.380 nan 0.000 0.501 45 E N 0.251 120.195 120.200 -0.426 0.000 2.227 45 E HA 0.247 4.597 4.350 0.001 0.000 0.268 45 E C -0.724 175.730 176.600 -0.243 0.000 0.990 45 E CA -0.811 55.421 56.400 -0.281 0.000 0.856 45 E CB 0.688 30.259 29.700 -0.215 0.000 1.159 45 E HN -0.006 nan 8.360 nan 0.000 0.401 46 D N 0.786 121.114 120.400 -0.121 0.000 2.692 46 D HA -0.207 4.433 4.640 0.001 0.000 0.233 46 D C 0.831 177.093 176.300 -0.064 0.000 1.172 46 D CA 1.601 55.567 54.000 -0.056 0.000 0.636 46 D CB -1.427 39.380 40.800 0.012 0.000 1.028 46 D HN 0.928 nan 8.370 nan 0.000 0.419 47 G N -0.445 108.306 108.800 -0.082 0.000 2.212 47 G HA2 -0.426 3.534 3.960 0.001 0.000 0.266 47 G HA3 -0.426 3.534 3.960 0.001 0.000 0.266 47 G C 0.452 175.315 174.900 -0.063 0.000 0.978 47 G CA 0.654 45.719 45.100 -0.057 0.000 0.632 47 G HN 0.681 nan 8.290 nan 0.000 0.537 48 K N 1.274 121.611 120.400 -0.106 0.000 2.511 48 K HA 0.379 4.699 4.320 0.001 0.000 0.280 48 K C 1.135 177.700 176.600 -0.058 0.000 1.008 48 K CA 0.459 56.700 56.287 -0.077 0.000 1.050 48 K CB -0.105 32.313 32.500 -0.137 0.000 0.889 48 K HN 0.377 nan 8.250 nan 0.000 0.484 49 G N 3.010 111.810 108.800 -0.001 0.000 2.476 49 G HA2 0.058 4.018 3.960 0.001 0.000 0.286 49 G HA3 0.058 4.018 3.960 0.001 0.000 0.286 49 G C -0.752 174.188 174.900 0.066 0.000 1.177 49 G CA -0.562 44.543 45.100 0.008 0.000 0.870 49 G HN 0.814 nan 8.290 nan 0.000 0.528 50 E N -0.528 119.733 120.200 0.101 0.000 2.398 50 E HA 0.282 4.632 4.350 0.001 0.000 0.263 50 E C 0.540 177.224 176.600 0.141 0.000 1.046 50 E CA -0.118 56.414 56.400 0.220 0.000 0.908 50 E CB 0.517 30.368 29.700 0.252 0.000 0.963 50 E HN 0.493 nan 8.360 nan 0.000 0.431 51 S N 1.742 117.559 115.700 0.195 0.000 2.759 51 S HA 0.167 4.638 4.470 0.001 0.000 0.310 51 S C 0.878 175.549 174.600 0.118 0.000 1.123 51 S CA -0.162 58.121 58.200 0.139 0.000 0.959 51 S CB 0.910 64.236 63.200 0.209 0.000 1.172 51 S HN 0.772 nan 8.310 nan 0.000 0.539 52 N N -0.495 118.268 118.700 0.106 0.000 2.166 52 N HA -0.139 4.601 4.740 0.001 0.000 0.186 52 N C 1.131 176.642 175.510 0.002 0.000 1.019 52 N CA 0.936 54.011 53.050 0.043 0.000 0.856 52 N CB -0.375 38.123 38.487 0.019 0.000 0.993 52 N HN 0.685 nan 8.380 nan 0.000 0.426 53 W N 1.512 122.781 121.300 -0.052 0.000 2.476 53 W HA 0.062 4.722 4.660 0.001 0.000 0.281 53 W C 1.889 178.277 176.519 -0.217 0.000 1.230 53 W CA 0.380 57.619 57.345 -0.175 0.000 1.287 53 W CB -0.041 29.015 29.460 -0.673 0.000 1.108 53 W HN 0.035 nan 8.180 nan 0.000 0.567 54 D N -1.005 119.388 120.400 -0.011 0.000 2.092 54 D HA -0.248 4.392 4.640 0.001 0.000 0.193 54 D C 1.707 177.797 176.300 -0.350 0.000 0.994 54 D CA 1.893 55.753 54.000 -0.234 0.000 0.828 54 D CB -0.728 40.132 40.800 0.099 0.000 0.963 54 D HN 0.204 nan 8.370 nan 0.000 0.450 55 H N -0.438 118.579 119.070 -0.088 0.000 2.319 55 H HA -0.142 4.414 4.556 0.001 0.000 0.299 55 H C 1.877 177.241 175.328 0.059 0.000 1.092 55 H CA 1.552 57.607 56.048 0.013 0.000 1.302 55 H CB -0.514 29.280 29.762 0.054 0.000 1.373 55 H HN 0.064 nan 8.280 nan 0.000 0.497 56 F N 0.198 120.121 119.950 -0.044 0.000 2.102 56 F HA -0.215 4.313 4.527 0.001 0.000 0.298 56 F C 2.423 178.233 175.800 0.018 0.000 1.105 56 F CA 1.539 59.514 58.000 -0.043 0.000 1.239 56 F CB -0.927 37.924 39.000 -0.250 0.000 0.991 56 F HN 0.277 nan 8.300 nan 0.000 0.474 57 C N -0.298 118.980 119.300 -0.036 0.000 2.440 57 C HA -0.155 4.306 4.460 0.001 0.000 0.278 57 C C 2.643 177.576 174.990 -0.094 0.000 1.295 57 C CA 1.341 60.315 59.018 -0.073 0.000 1.738 57 C CB -1.799 25.970 27.740 0.048 0.000 1.987 57 C HN 0.544 nan 8.230 nan 0.000 0.492 58 H N 0.138 119.114 119.070 -0.157 0.000 2.428 58 H HA -0.056 4.500 4.556 0.001 0.000 0.296 58 H C 1.716 176.893 175.328 -0.252 0.000 1.062 58 H CA 1.251 57.175 56.048 -0.207 0.000 1.350 58 H CB -0.119 29.511 29.762 -0.220 0.000 1.403 58 H HN 0.643 nan 8.280 nan 0.000 0.533 59 N N -0.370 118.192 118.700 -0.230 0.000 2.325 59 N HA -0.020 4.721 4.740 0.001 0.000 0.182 59 N C -0.291 174.727 175.510 -0.821 0.000 1.088 59 N CA 0.137 52.898 53.050 -0.481 0.000 0.879 59 N CB 0.697 38.846 38.487 -0.562 0.000 0.983 59 N HN 0.339 nan 8.380 nan 0.000 0.471 60 H N -0.388 118.517 119.070 -0.276 0.000 2.825 60 H HA 0.140 4.696 4.556 0.001 0.000 0.226 60 H C -1.955 173.181 175.328 -0.320 0.000 1.414 60 H CA -1.071 54.776 56.048 -0.334 0.000 1.198 60 H CB 0.877 30.346 29.762 -0.489 0.000 2.013 60 H HN 0.178 nan 8.280 nan 0.000 0.530 61 P HA -0.181 nan 4.420 nan 0.000 0.223 61 P C 1.360 178.660 177.300 0.000 0.000 1.144 61 P CA 1.111 64.190 63.100 -0.036 0.000 0.783 61 P CB 0.388 32.082 31.700 -0.011 0.000 0.771 62 E N 0.135 120.328 120.200 -0.013 0.000 2.347 62 E HA -0.137 4.214 4.350 0.001 0.000 0.196 62 E C 1.595 178.207 176.600 0.020 0.000 1.008 62 E CA 0.683 57.089 56.400 0.010 0.000 0.852 62 E CB -0.582 29.119 29.700 0.002 0.000 0.783 62 E HN 0.154 nan 8.360 nan 0.000 0.505 63 R N 1.013 121.506 120.500 -0.013 0.000 2.275 63 R HA 0.186 4.527 4.340 0.001 0.000 0.199 63 R C 0.978 177.387 176.300 0.182 0.000 0.989 63 R CA 0.107 56.229 56.100 0.036 0.000 1.016 63 R CB -0.511 29.763 30.300 -0.043 0.000 0.918 63 R HN 0.369 nan 8.270 nan 0.000 0.473 64 I N -1.730 118.949 120.570 0.183 0.000 2.354 64 I HA 0.138 4.309 4.170 0.001 0.000 0.292 64 I C 1.227 177.481 176.117 0.227 0.000 0.989 64 I CA -0.585 60.900 61.300 0.308 0.000 1.188 64 I CB 1.285 39.507 38.000 0.370 0.000 1.342 64 I HN -0.244 nan 8.210 nan 0.000 0.457 65 L N 4.429 125.805 121.223 0.255 0.000 2.082 65 L HA -0.231 4.110 4.340 0.001 0.000 0.223 65 L C 1.356 178.314 176.870 0.147 0.000 1.086 65 L CA 2.486 57.443 54.840 0.194 0.000 0.793 65 L CB -0.824 41.357 42.059 0.205 0.000 0.896 65 L HN 1.021 nan 8.230 nan 0.000 0.441 66 D N -2.086 118.405 120.400 0.152 0.000 2.670 66 D HA 0.230 4.870 4.640 0.001 0.000 0.255 66 D C 1.163 177.554 176.300 0.153 0.000 1.286 66 D CA 0.210 54.297 54.000 0.144 0.000 0.830 66 D CB -0.764 40.130 40.800 0.158 0.000 1.065 66 D HN 0.368 nan 8.370 nan 0.000 0.486 67 G N 0.741 109.626 108.800 0.142 0.000 2.379 67 G HA2 -0.278 3.683 3.960 0.001 0.000 0.297 67 G HA3 -0.278 3.683 3.960 0.001 0.000 0.297 67 G C 0.408 175.398 174.900 0.150 0.000 1.004 67 G CA 0.935 46.109 45.100 0.123 0.000 0.921 67 G HN 0.818 nan 8.290 nan 0.000 0.511 68 S N -1.057 114.780 115.700 0.228 0.000 2.767 68 S HA 0.863 5.334 4.470 0.001 0.000 0.300 68 S C -0.097 174.627 174.600 0.207 0.000 1.123 68 S CA 0.032 58.389 58.200 0.260 0.000 0.992 68 S CB 2.281 65.738 63.200 0.429 0.000 1.138 68 S HN 1.271 nan 8.310 nan 0.000 0.550 69 N N -1.201 117.514 118.700 0.025 0.000 3.157 69 N HA 0.453 5.193 4.740 0.001 0.000 0.291 69 N C -1.227 173.855 175.510 -0.712 0.000 1.515 69 N CA -0.907 51.931 53.050 -0.353 0.000 0.807 69 N CB 1.268 39.668 38.487 -0.145 0.000 1.672 69 N HN 0.475 nan 8.380 nan 0.000 0.592 70 S N -1.150 113.997 115.700 -0.922 0.000 2.457 70 S HA 0.234 4.705 4.470 0.001 0.000 0.237 70 S C -0.498 173.815 174.600 -0.477 0.000 1.213 70 S CA -0.540 57.130 58.200 -0.883 0.000 1.218 70 S CB -0.847 61.378 63.200 -1.624 0.000 0.922 70 S HN 0.450 nan 8.310 nan 0.000 0.488 71 D N 1.405 121.660 120.400 -0.241 0.000 2.264 71 D HA 0.018 4.659 4.640 0.001 0.000 0.208 71 D C 1.363 177.725 176.300 0.102 0.000 0.966 71 D CA 0.858 54.826 54.000 -0.053 0.000 0.864 71 D CB 0.236 40.986 40.800 -0.084 0.000 0.933 71 D HN 0.432 nan 8.370 nan 0.000 0.499 72 I N -1.523 119.055 120.570 0.014 0.000 3.971 72 I HA 0.209 4.379 4.170 0.001 0.000 0.303 72 I C 1.833 177.956 176.117 0.010 0.000 1.233 72 I CA 0.731 62.056 61.300 0.042 0.000 1.346 72 I CB -0.897 37.124 38.000 0.036 0.000 1.273 72 I HN 0.044 nan 8.210 nan 0.000 0.448 73 G N 2.193 111.005 108.800 0.019 0.000 2.634 73 G HA2 -0.355 3.605 3.960 0.001 0.000 0.309 73 G HA3 -0.355 3.605 3.960 0.001 0.000 0.309 73 G C 0.946 175.891 174.900 0.076 0.000 1.265 73 G CA 1.085 46.225 45.100 0.067 0.000 0.998 73 G HN 0.609 nan 8.290 nan 0.000 0.551 74 A N 0.146 122.986 122.820 0.035 0.000 2.345 74 A HA 0.504 4.825 4.320 0.001 0.000 0.225 74 A C 1.260 178.856 177.584 0.021 0.000 1.243 74 A CA 1.514 53.558 52.037 0.012 0.000 0.875 74 A CB -0.590 18.412 19.000 0.003 0.000 0.929 74 A HN 1.815 nan 8.150 nan 0.000 0.502 75 N N -0.530 118.194 118.700 0.041 0.000 2.735 75 N HA -0.181 4.559 4.740 0.001 0.000 0.248 75 N C 0.463 176.040 175.510 0.111 0.000 1.083 75 N CA 0.408 53.512 53.050 0.090 0.000 0.703 75 N CB -0.790 37.749 38.487 0.087 0.000 1.005 75 N HN 0.384 nan 8.380 nan 0.000 0.550 76 S N -0.622 115.138 115.700 0.101 0.000 2.561 76 S HA -0.086 4.384 4.470 0.001 0.000 0.225 76 S C 1.090 175.809 174.600 0.198 0.000 0.977 76 S CA 0.252 58.537 58.200 0.141 0.000 0.926 76 S CB -0.100 63.186 63.200 0.143 0.000 0.769 76 S HN 0.551 nan 8.310 nan 0.000 0.533 77 Y N 2.115 122.366 120.300 -0.081 0.000 2.242 77 Y HA -0.151 4.399 4.550 0.001 0.000 0.291 77 Y C 2.199 177.954 175.900 -0.243 0.000 1.137 77 Y CA 1.659 59.496 58.100 -0.439 0.000 1.181 77 Y CB -0.172 37.880 38.460 -0.680 0.000 0.989 77 Y HN 0.375 nan 8.280 nan 0.000 0.527 78 H N -1.579 117.525 119.070 0.056 0.000 2.582 78 H HA 0.212 4.768 4.556 0.001 0.000 0.269 78 H C 1.204 176.540 175.328 0.014 0.000 0.962 78 H CA 0.984 57.042 56.048 0.017 0.000 1.230 78 H CB 0.185 29.971 29.762 0.040 0.000 1.445 78 H HN 0.400 nan 8.280 nan 0.000 0.528 79 M N 1.028 120.708 119.600 0.135 0.000 2.475 79 M HA 0.063 4.543 4.480 0.001 0.000 0.283 79 M C 1.296 177.577 176.300 -0.031 0.000 1.165 79 M CA -0.331 54.975 55.300 0.011 0.000 0.976 79 M CB 0.106 32.712 32.600 0.010 0.000 1.428 79 M HN 0.159 nan 8.290 nan 0.000 0.495 80 Y N 0.546 120.834 120.300 -0.021 0.000 2.193 80 Y HA -0.171 4.380 4.550 0.001 0.000 0.285 80 Y C 1.796 177.627 175.900 -0.115 0.000 1.166 80 Y CA 1.411 59.472 58.100 -0.064 0.000 1.181 80 Y CB -0.827 37.587 38.460 -0.078 0.000 0.976 80 Y HN 0.071 nan 8.280 nan 0.000 0.520 81 K N 0.045 119.928 120.400 -0.860 0.000 2.103 81 K HA -0.139 4.182 4.320 0.001 0.000 0.207 81 K C 2.022 178.440 176.600 -0.302 0.000 1.048 81 K CA 1.982 57.900 56.287 -0.616 0.000 0.930 81 K CB -0.382 31.740 32.500 -0.631 0.000 0.716 81 K HN 0.423 nan 8.250 nan 0.000 0.444 82 T N 1.336 115.744 114.554 -0.243 0.000 2.777 82 T HA -0.102 4.248 4.350 0.001 0.000 0.266 82 T C 1.179 175.783 174.700 -0.160 0.000 1.040 82 T CA 1.370 63.366 62.100 -0.173 0.000 1.141 82 T CB -0.231 68.552 68.868 -0.143 0.000 0.868 82 T HN 0.184 nan 8.240 nan 0.000 0.444 83 D N 1.041 121.349 120.400 -0.153 0.000 2.123 83 D HA -0.075 4.566 4.640 0.001 0.000 0.196 83 D C 2.226 178.374 176.300 -0.254 0.000 0.992 83 D CA 0.729 54.616 54.000 -0.188 0.000 0.833 83 D CB -0.583 40.113 40.800 -0.174 0.000 0.954 83 D HN 0.213 nan 8.370 nan 0.000 0.455 84 V N 0.818 120.598 119.914 -0.224 0.000 2.343 84 V HA -0.208 3.913 4.120 0.001 0.000 0.247 84 V C 2.555 178.553 176.094 -0.160 0.000 1.051 84 V CA 1.417 63.593 62.300 -0.206 0.000 1.036 84 V CB -0.428 31.315 31.823 -0.133 0.000 0.654 84 V HN 0.135 nan 8.190 nan 0.000 0.451 85 R N -0.286 120.126 120.500 -0.147 0.000 2.080 85 R HA -0.173 4.168 4.340 0.001 0.000 0.236 85 R C 2.294 178.527 176.300 -0.113 0.000 1.137 85 R CA 1.635 57.663 56.100 -0.120 0.000 0.943 85 R CB -0.287 29.940 30.300 -0.122 0.000 0.846 85 R HN 0.304 nan 8.270 nan 0.000 0.431 86 L N 1.031 122.179 121.223 -0.125 0.000 2.042 86 L HA -0.194 4.146 4.340 0.001 0.000 0.210 86 L C 2.388 179.197 176.870 -0.102 0.000 1.076 86 L CA 1.538 56.314 54.840 -0.107 0.000 0.749 86 L CB -1.186 40.808 42.059 -0.108 0.000 0.893 86 L HN 0.325 nan 8.230 nan 0.000 0.432 87 L N -0.655 120.484 121.223 -0.140 0.000 2.046 87 L HA -0.240 4.101 4.340 0.001 0.000 0.208 87 L C 2.621 179.448 176.870 -0.073 0.000 1.077 87 L CA 1.108 55.875 54.840 -0.122 0.000 0.747 87 L CB -0.452 41.486 42.059 -0.201 0.000 0.896 87 L HN 0.214 nan 8.230 nan 0.000 0.432 88 K N 0.801 121.156 120.400 -0.076 0.000 2.025 88 K HA -0.178 4.143 4.320 0.001 0.000 0.207 88 K C 1.858 178.429 176.600 -0.048 0.000 1.049 88 K CA 1.547 57.802 56.287 -0.052 0.000 0.933 88 K CB -0.158 32.309 32.500 -0.055 0.000 0.714 88 K HN 0.269 nan 8.250 nan 0.000 0.438 89 E N -0.185 119.981 120.200 -0.057 0.000 2.160 89 E HA -0.181 4.169 4.350 0.001 0.000 0.195 89 E C 1.827 178.398 176.600 -0.048 0.000 0.991 89 E CA 1.508 57.876 56.400 -0.052 0.000 0.810 89 E CB -0.172 29.494 29.700 -0.056 0.000 0.742 89 E HN 0.406 nan 8.360 nan 0.000 0.466 90 M N -0.715 118.857 119.600 -0.047 0.000 2.595 90 M HA 0.092 4.572 4.480 0.001 0.000 0.248 90 M C 1.089 177.364 176.300 -0.043 0.000 1.119 90 M CA 0.665 55.939 55.300 -0.043 0.000 1.079 90 M CB 0.480 33.061 32.600 -0.031 0.000 1.472 90 M HN 0.220 nan 8.290 nan 0.000 0.501 91 G N 1.556 110.336 108.800 -0.034 0.000 2.225 91 G HA2 -0.203 3.758 3.960 0.001 0.000 0.264 91 G HA3 -0.203 3.758 3.960 0.001 0.000 0.264 91 G C 0.046 174.950 174.900 0.005 0.000 1.060 91 G CA -0.238 44.848 45.100 -0.023 0.000 0.833 91 G HN 0.267 nan 8.290 nan 0.000 0.498 92 M N 0.103 119.712 119.600 0.015 0.000 2.226 92 M HA 0.231 4.711 4.480 0.001 0.000 0.324 92 M C 1.208 177.543 176.300 0.058 0.000 1.112 92 M CA 0.049 55.378 55.300 0.048 0.000 1.176 92 M CB 0.253 32.882 32.600 0.048 0.000 1.430 92 M HN 0.152 nan 8.290 nan 0.000 0.462 93 D N 0.483 120.923 120.400 0.067 0.000 2.259 93 D HA 0.244 4.885 4.640 0.001 0.000 0.216 93 D C 0.267 176.605 176.300 0.064 0.000 0.961 93 D CA 0.751 54.788 54.000 0.061 0.000 0.878 93 D CB 0.551 41.385 40.800 0.056 0.000 1.009 93 D HN 0.609 nan 8.370 nan 0.000 0.490 94 A N -0.397 122.442 122.820 0.031 0.000 2.569 94 A HA 0.552 4.872 4.320 0.001 0.000 0.290 94 A C -2.003 175.772 177.584 0.318 0.000 1.136 94 A CA -0.550 51.576 52.037 0.147 0.000 0.710 94 A CB 1.929 20.956 19.000 0.045 0.000 1.303 94 A HN 0.063 nan 8.150 nan 0.000 0.413 95 Y N 0.628 121.088 120.300 0.266 0.000 2.361 95 Y HA 0.585 5.136 4.550 0.001 0.000 0.328 95 Y C -0.374 175.677 175.900 0.252 0.000 1.044 95 Y CA -0.743 57.522 58.100 0.275 0.000 1.085 95 Y CB 1.342 39.925 38.460 0.205 0.000 1.194 95 Y HN 0.791 nan 8.280 nan 0.000 0.438 96 R N 7.328 127.695 120.500 -0.221 0.000 2.255 96 R HA 0.582 4.922 4.340 0.001 0.000 0.326 96 R C -1.735 174.185 176.300 -0.633 0.000 0.986 96 R CA -0.312 55.460 56.100 -0.546 0.000 0.847 96 R CB 0.406 30.217 30.300 -0.815 0.000 1.111 96 R HN 0.608 nan 8.270 nan 0.000 0.452 97 F N 0.654 120.219 119.950 -0.643 0.000 2.643 97 F HA 0.611 5.139 4.527 0.001 0.000 0.314 97 F C -1.037 174.583 175.800 -0.300 0.000 1.096 97 F CA -1.098 56.598 58.000 -0.506 0.000 0.953 97 F CB 1.388 40.044 39.000 -0.573 0.000 1.345 97 F HN 0.420 nan 8.300 nan 0.000 0.468 98 S N 1.297 116.970 115.700 -0.045 0.000 2.621 98 S HA 0.796 5.266 4.470 0.001 0.000 0.302 98 S C -0.885 173.736 174.600 0.034 0.000 1.093 98 S CA -0.776 57.362 58.200 -0.102 0.000 1.017 98 S CB 1.517 64.695 63.200 -0.036 0.000 1.077 98 S HN 0.723 nan 8.310 nan 0.000 0.517 99 I N 1.888 122.398 120.570 -0.100 0.000 2.428 99 I HA 0.319 4.489 4.170 0.001 0.000 0.296 99 I C 0.386 176.617 176.117 0.190 0.000 0.985 99 I CA -0.581 60.576 61.300 -0.239 0.000 1.260 99 I CB 1.923 39.702 38.000 -0.370 0.000 1.389 99 I HN 0.731 nan 8.210 nan 0.000 0.484 100 S N 5.787 121.700 115.700 0.356 0.000 2.400 100 S HA 0.029 4.500 4.470 0.001 0.000 0.295 100 S C 0.767 175.598 174.600 0.385 0.000 1.113 100 S CA -0.476 57.973 58.200 0.415 0.000 1.064 100 S CB 0.164 63.622 63.200 0.430 0.000 0.990 100 S HN 0.685 nan 8.310 nan 0.000 0.502 101 W N 7.581 128.891 121.300 0.016 0.000 2.318 101 W HA -0.034 4.627 4.660 0.001 0.000 0.313 101 W C -1.330 175.013 176.519 -0.294 0.000 1.221 101 W CA 1.318 58.295 57.345 -0.614 0.000 1.266 101 W CB -1.545 27.536 29.460 -0.631 0.000 1.150 101 W HN 0.623 nan 8.180 nan 0.000 0.496 102 P HA -0.123 nan 4.420 nan 0.000 0.229 102 P C 1.559 178.930 177.300 0.118 0.000 1.160 102 P CA 1.413 64.545 63.100 0.054 0.000 0.777 102 P CB -0.300 31.419 31.700 0.033 0.000 0.814 103 R N -0.345 120.271 120.500 0.193 0.000 2.240 103 R HA 0.047 4.387 4.340 0.001 0.000 0.203 103 R C 1.742 178.189 176.300 0.245 0.000 1.011 103 R CA 0.482 56.693 56.100 0.185 0.000 1.007 103 R CB -0.093 30.343 30.300 0.226 0.000 0.911 103 R HN 0.069 nan 8.270 nan 0.000 0.468 104 I N 0.199 120.948 120.570 0.298 0.000 2.810 104 I HA 0.034 4.204 4.170 0.001 0.000 0.262 104 I C 0.648 176.905 176.117 0.235 0.000 1.131 104 I CA 0.781 62.274 61.300 0.321 0.000 1.453 104 I CB 0.065 38.326 38.000 0.435 0.000 1.161 104 I HN 0.047 nan 8.210 nan 0.000 0.444 105 L N 1.812 123.163 121.223 0.213 0.000 2.457 105 L HA 0.261 4.601 4.340 0.001 0.000 0.252 105 L C -1.700 175.227 176.870 0.096 0.000 1.132 105 L CA -1.271 53.683 54.840 0.190 0.000 0.938 105 L CB 1.419 43.654 42.059 0.294 0.000 1.246 105 L HN -0.139 nan 8.230 nan 0.000 0.476 106 P HA -0.222 nan 4.420 nan 0.000 0.218 106 P C 0.902 178.191 177.300 -0.018 0.000 1.152 106 P CA 1.651 64.764 63.100 0.022 0.000 0.857 106 P CB 0.225 31.939 31.700 0.023 0.000 0.787 107 K N -2.667 117.729 120.400 -0.007 0.000 2.358 107 K HA 0.266 4.586 4.320 0.001 0.000 0.197 107 K C 1.353 177.908 176.600 -0.075 0.000 1.025 107 K CA 0.599 56.862 56.287 -0.041 0.000 1.104 107 K CB -0.015 32.477 32.500 -0.013 0.000 0.855 107 K HN 0.118 nan 8.250 nan 0.000 0.531 108 G N 1.932 110.695 108.800 -0.063 0.000 2.245 108 G HA2 -0.339 3.621 3.960 0.001 0.000 0.264 108 G HA3 -0.339 3.621 3.960 0.001 0.000 0.264 108 G C 0.464 175.464 174.900 0.166 0.000 0.985 108 G CA 1.146 46.181 45.100 -0.107 0.000 0.625 108 G HN 0.456 nan 8.290 nan 0.000 0.536 109 T N -2.895 111.743 114.554 0.140 0.000 2.938 109 T HA 0.686 5.036 4.350 0.001 0.000 0.285 109 T C 1.089 175.890 174.700 0.168 0.000 1.028 109 T CA 0.313 62.516 62.100 0.172 0.000 1.005 109 T CB 2.204 71.120 68.868 0.080 0.000 1.157 109 T HN 0.235 nan 8.240 nan 0.000 0.550 110 K N 0.105 120.503 120.400 -0.002 0.000 2.097 110 K HA -0.131 4.190 4.320 0.001 0.000 0.205 110 K C 1.743 178.296 176.600 -0.079 0.000 1.050 110 K CA 1.459 57.588 56.287 -0.263 0.000 0.938 110 K CB -0.181 31.771 32.500 -0.914 0.000 0.718 110 K HN 0.649 nan 8.250 nan 0.000 0.442 111 E N 0.109 120.277 120.200 -0.052 0.000 2.038 111 E HA -0.140 4.211 4.350 0.001 0.000 0.195 111 E C 1.979 178.589 176.600 0.016 0.000 1.000 111 E CA 1.529 57.917 56.400 -0.019 0.000 0.803 111 E CB -0.705 28.989 29.700 -0.011 0.000 0.750 111 E HN 0.527 nan 8.360 nan 0.000 0.448 112 G N -0.119 108.702 108.800 0.036 0.000 2.485 112 G HA2 0.049 4.009 3.960 0.001 0.000 0.221 112 G HA3 0.049 4.009 3.960 0.001 0.000 0.221 112 G C 0.788 175.726 174.900 0.063 0.000 1.115 112 G CA 0.788 45.915 45.100 0.044 0.000 0.751 112 G HN 0.624 nan 8.290 nan 0.000 0.567 113 G N -1.197 107.659 108.800 0.094 0.000 2.662 113 G HA2 -0.093 3.867 3.960 0.001 0.000 0.686 113 G HA3 -0.093 3.867 3.960 0.001 0.000 0.686 113 G C -0.451 174.535 174.900 0.142 0.000 1.271 113 G CA -0.458 44.708 45.100 0.110 0.000 0.816 113 G HN 0.548 nan 8.290 nan 0.000 0.608 114 I N 1.196 121.849 120.570 0.139 0.000 2.365 114 I HA 0.204 4.374 4.170 0.001 0.000 0.291 114 I C 0.472 176.656 176.117 0.113 0.000 1.004 114 I CA -0.844 60.539 61.300 0.137 0.000 1.311 114 I CB 1.501 39.569 38.000 0.114 0.000 1.401 114 I HN 0.504 nan 8.210 nan 0.000 0.491 115 N N 8.826 127.602 118.700 0.126 0.000 2.401 115 N HA 0.175 4.916 4.740 0.001 0.000 0.255 115 N C -1.935 173.647 175.510 0.121 0.000 1.110 115 N CA -1.939 51.176 53.050 0.110 0.000 0.949 115 N CB 1.506 40.059 38.487 0.110 0.000 1.110 115 N HN 0.247 nan 8.380 nan 0.000 0.490 116 P HA -0.086 nan 4.420 nan 0.000 0.215 116 P C 0.487 177.855 177.300 0.114 0.000 1.153 116 P CA 1.055 64.213 63.100 0.095 0.000 0.853 116 P CB 0.414 32.157 31.700 0.070 0.000 0.788 117 D N -1.112 119.352 120.400 0.107 0.000 2.178 117 D HA -0.074 4.566 4.640 0.001 0.000 0.202 117 D C 2.218 178.617 176.300 0.164 0.000 0.974 117 D CA 1.509 55.581 54.000 0.119 0.000 0.841 117 D CB -0.973 39.888 40.800 0.102 0.000 0.953 117 D HN 0.143 nan 8.370 nan 0.000 0.478 118 G N 1.055 109.964 108.800 0.181 0.000 2.402 118 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 118 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 118 G C 1.614 176.734 174.900 0.365 0.000 1.162 118 G CA 0.166 45.420 45.100 0.256 0.000 0.777 118 G HN 0.169 nan 8.290 nan 0.000 0.539 119 I N 1.005 121.783 120.570 0.345 0.000 2.179 119 I HA -0.118 4.052 4.170 0.001 0.000 0.242 119 I C 2.543 178.877 176.117 0.363 0.000 1.088 119 I CA 1.337 62.889 61.300 0.420 0.000 1.357 119 I CB -0.909 37.213 38.000 0.204 0.000 1.051 119 I HN 0.222 nan 8.210 nan 0.000 0.409 120 K N 0.241 120.765 120.400 0.207 0.000 2.032 120 K HA -0.271 4.049 4.320 0.001 0.000 0.209 120 K C 2.439 179.059 176.600 0.033 0.000 1.048 120 K CA 1.717 58.077 56.287 0.122 0.000 0.927 120 K CB -0.417 32.136 32.500 0.087 0.000 0.712 120 K HN 0.161 nan 8.250 nan 0.000 0.441 121 Y N 0.493 120.691 120.300 -0.169 0.000 2.053 121 Y HA -0.321 4.229 4.550 0.001 0.000 0.277 121 Y C 1.858 177.445 175.900 -0.521 0.000 1.159 121 Y CA 1.946 59.765 58.100 -0.469 0.000 1.125 121 Y CB -0.719 37.413 38.460 -0.547 0.000 0.969 121 Y HN 0.127 nan 8.280 nan 0.000 0.492 122 Y N -0.153 119.971 120.300 -0.292 0.000 2.293 122 Y HA -0.140 4.410 4.550 0.001 0.000 0.291 122 Y C 2.696 178.347 175.900 -0.415 0.000 1.137 122 Y CA 1.562 59.337 58.100 -0.541 0.000 1.202 122 Y CB -0.766 37.384 38.460 -0.516 0.000 0.990 122 Y HN 0.074 nan 8.280 nan 0.000 0.537 123 R N 0.974 121.512 120.500 0.065 0.000 2.073 123 R HA -0.123 4.217 4.340 0.001 0.000 0.234 123 R C 1.826 178.104 176.300 -0.036 0.000 1.134 123 R CA 1.795 57.986 56.100 0.153 0.000 0.952 123 R CB -0.537 29.908 30.300 0.241 0.000 0.850 123 R HN 0.239 nan 8.270 nan 0.000 0.433 124 N N 0.421 119.027 118.700 -0.156 0.000 2.120 124 N HA -0.171 4.569 4.740 0.001 0.000 0.188 124 N C 1.620 176.993 175.510 -0.228 0.000 1.024 124 N CA 1.395 54.346 53.050 -0.165 0.000 0.852 124 N CB -0.452 37.913 38.487 -0.204 0.000 1.003 124 N HN 0.193 nan 8.380 nan 0.000 0.424 125 L N 1.621 122.515 121.223 -0.548 0.000 2.017 125 L HA -0.030 4.311 4.340 0.001 0.000 0.208 125 L C 2.039 178.770 176.870 -0.232 0.000 1.073 125 L CA 1.327 55.872 54.840 -0.493 0.000 0.745 125 L CB -0.683 40.852 42.059 -0.874 0.000 0.894 125 L HN 0.081 nan 8.230 nan 0.000 0.432 126 I N -0.143 120.311 120.570 -0.193 0.000 2.163 126 I HA -0.314 3.856 4.170 0.001 0.000 0.243 126 I C 2.212 178.328 176.117 -0.001 0.000 1.085 126 I CA 1.327 62.601 61.300 -0.044 0.000 1.347 126 I CB -0.645 37.348 38.000 -0.010 0.000 1.044 126 I HN 0.393 nan 8.210 nan 0.000 0.408 127 N N 0.837 119.537 118.700 -0.000 0.000 2.084 127 N HA -0.183 4.557 4.740 0.001 0.000 0.190 127 N C 1.842 177.365 175.510 0.022 0.000 1.030 127 N CA 1.252 54.316 53.050 0.024 0.000 0.849 127 N CB -0.506 37.999 38.487 0.031 0.000 1.012 127 N HN 0.185 nan 8.380 nan 0.000 0.423 128 L N 1.468 122.703 121.223 0.020 0.000 2.012 128 L HA -0.063 4.278 4.340 0.001 0.000 0.210 128 L C 2.140 179.017 176.870 0.013 0.000 1.073 128 L CA 1.261 56.116 54.840 0.025 0.000 0.748 128 L CB -0.802 41.297 42.059 0.066 0.000 0.891 128 L HN 0.135 nan 8.230 nan 0.000 0.431 129 L N -1.355 119.877 121.223 0.015 0.000 1.989 129 L HA -0.290 4.051 4.340 0.001 0.000 0.211 129 L C 2.541 179.437 176.870 0.043 0.000 1.071 129 L CA 1.640 56.501 54.840 0.035 0.000 0.749 129 L CB -0.583 41.529 42.059 0.087 0.000 0.890 129 L HN 0.292 nan 8.230 nan 0.000 0.431 130 L N -0.612 120.637 121.223 0.044 0.000 2.079 130 L HA -0.244 4.097 4.340 0.001 0.000 0.210 130 L C 2.463 179.352 176.870 0.032 0.000 1.081 130 L CA 1.275 56.140 54.840 0.043 0.000 0.752 130 L CB -0.516 41.568 42.059 0.041 0.000 0.896 130 L HN 0.331 nan 8.230 nan 0.000 0.433 131 E N -0.119 120.095 120.200 0.023 0.000 2.265 131 E HA -0.152 4.198 4.350 0.001 0.000 0.196 131 E C 1.007 177.613 176.600 0.009 0.000 0.996 131 E CA 0.659 57.068 56.400 0.015 0.000 0.832 131 E CB 0.012 29.718 29.700 0.010 0.000 0.756 131 E HN 0.501 nan 8.360 nan 0.000 0.491 132 N N -0.334 118.371 118.700 0.008 0.000 2.273 132 N HA 0.051 4.791 4.740 0.001 0.000 0.231 132 N C 0.393 175.910 175.510 0.013 0.000 1.134 132 N CA 0.558 53.609 53.050 0.001 0.000 0.856 132 N CB 1.511 39.989 38.487 -0.014 0.000 1.068 132 N HN 0.167 nan 8.380 nan 0.000 0.510 133 G N 1.489 110.304 108.800 0.025 0.000 2.179 133 G HA2 -0.274 3.686 3.960 0.001 0.000 0.257 133 G HA3 -0.274 3.686 3.960 0.001 0.000 0.257 133 G C 0.009 174.940 174.900 0.052 0.000 1.010 133 G CA -0.018 45.104 45.100 0.036 0.000 0.736 133 G HN 0.372 nan 8.290 nan 0.000 0.513 134 I N 0.472 121.078 120.570 0.060 0.000 2.312 134 I HA 0.331 4.501 4.170 0.001 0.000 0.290 134 I C 0.355 176.548 176.117 0.127 0.000 1.008 134 I CA -0.892 60.463 61.300 0.093 0.000 1.226 134 I CB 1.445 39.497 38.000 0.087 0.000 1.371 134 I HN 0.063 nan 8.210 nan 0.000 0.468 135 E N 9.910 130.201 120.200 0.151 0.000 2.290 135 E HA 0.218 4.568 4.350 0.001 0.000 0.277 135 E C -2.335 174.413 176.600 0.246 0.000 1.035 135 E CA -1.862 54.639 56.400 0.169 0.000 0.873 135 E CB 0.702 30.523 29.700 0.200 0.000 1.029 135 E HN 0.202 nan 8.360 nan 0.000 0.419 136 P HA 0.099 nan 4.420 nan 0.000 0.287 136 P C -1.258 175.978 177.300 -0.106 0.000 1.281 136 P CA -0.347 62.825 63.100 0.120 0.000 0.781 136 P CB 0.351 32.110 31.700 0.098 0.000 0.903 137 Y N 2.140 122.227 120.300 -0.355 0.000 2.417 137 Y HA 0.229 4.780 4.550 0.001 0.000 0.336 137 Y C 0.385 175.804 175.900 -0.801 0.000 0.961 137 Y CA -0.756 57.026 58.100 -0.529 0.000 1.215 137 Y CB 1.312 39.471 38.460 -0.501 0.000 1.120 137 Y HN 0.093 nan 8.280 nan 0.000 0.499 138 V N 3.658 123.070 119.914 -0.836 0.000 2.383 138 V HA 0.269 4.390 4.120 0.001 0.000 0.275 138 V C 0.172 175.923 176.094 -0.572 0.000 1.036 138 V CA -0.625 61.087 62.300 -0.980 0.000 0.889 138 V CB 1.248 32.392 31.823 -1.133 0.000 0.985 138 V HN 0.691 nan 8.190 nan 0.000 0.459 139 T N 6.705 120.950 114.554 -0.515 0.000 2.762 139 T HA 0.403 4.753 4.350 0.001 0.000 0.303 139 T C 1.443 176.019 174.700 -0.206 0.000 0.977 139 T CA -0.172 61.757 62.100 -0.286 0.000 0.961 139 T CB 0.654 69.391 68.868 -0.219 0.000 0.944 139 T HN 0.427 nan 8.240 nan 0.000 0.481 140 I N 1.858 122.342 120.570 -0.144 0.000 2.179 140 I HA -0.042 4.129 4.170 0.001 0.000 0.242 140 I C 0.659 176.811 176.117 0.058 0.000 1.088 140 I CA 1.390 62.589 61.300 -0.168 0.000 1.357 140 I CB 0.038 37.820 38.000 -0.363 0.000 1.051 140 I HN 0.475 nan 8.210 nan 0.000 0.409 141 F N 0.216 120.082 119.950 -0.141 0.000 2.499 141 F HA 0.374 4.901 4.527 0.001 0.000 0.333 141 F C -0.169 175.586 175.800 -0.074 0.000 1.138 141 F CA -0.803 57.186 58.000 -0.018 0.000 0.945 141 F CB 0.743 39.638 39.000 -0.175 0.000 1.181 141 F HN -0.075 nan 8.300 nan 0.000 0.435 142 H N 6.794 125.381 119.070 -0.804 0.000 2.471 142 H HA 0.227 4.783 4.556 0.001 0.000 0.234 142 H C -0.711 174.069 175.328 -0.913 0.000 1.388 142 H CA -0.183 55.332 56.048 -0.888 0.000 1.198 142 H CB 0.002 29.453 29.762 -0.518 0.000 1.714 142 H HN 0.776 nan 8.280 nan 0.000 0.536 143 W N -0.016 120.369 121.300 -1.525 0.000 1.628 143 W HA -0.251 4.410 4.660 0.000 0.000 0.245 143 W C -0.598 175.945 176.519 0.039 0.000 0.995 143 W CA 0.885 57.846 57.345 -0.640 0.000 0.424 143 W CB -2.204 27.093 29.460 -0.272 0.000 2.004 143 W HN 0.567 nan 8.180 nan 0.000 1.271 144 D N 1.090 121.609 120.400 0.197 0.000 2.468 144 D HA 0.435 5.075 4.640 0.001 0.000 0.218 144 D C 0.191 176.822 176.300 0.551 0.000 1.155 144 D CA -0.224 54.044 54.000 0.447 0.000 0.924 144 D CB 0.507 41.529 40.800 0.371 0.000 1.029 144 D HN -0.127 nan 8.370 nan 0.000 0.515 145 V N 2.893 123.126 119.914 0.530 0.000 2.509 145 V HA 0.284 4.404 4.120 0.001 0.000 0.284 145 V C -2.071 173.990 176.094 -0.055 0.000 1.047 145 V CA -1.908 60.557 62.300 0.274 0.000 0.952 145 V CB 1.432 33.437 31.823 0.305 0.000 0.988 145 V HN 0.344 nan 8.190 nan 0.000 0.469 146 P HA 0.061 nan 4.420 nan 0.000 0.265 146 P C 0.466 177.589 177.300 -0.295 0.000 1.222 146 P CA 0.131 63.006 63.100 -0.374 0.000 0.767 146 P CB 0.590 31.896 31.700 -0.657 0.000 0.801 147 Q N 5.410 125.103 119.800 -0.178 0.000 2.197 147 Q HA -0.252 4.089 4.340 0.001 0.000 0.207 147 Q C 1.827 177.671 176.000 -0.259 0.000 0.984 147 Q CA 2.438 58.114 55.803 -0.211 0.000 0.869 147 Q CB -0.959 27.664 28.738 -0.192 0.000 0.906 147 Q HN 0.487 nan 8.270 nan 0.000 0.426 148 A N 0.058 122.735 122.820 -0.238 0.000 1.877 148 A HA -0.152 4.168 4.320 0.001 0.000 0.216 148 A C 2.084 179.467 177.584 -0.335 0.000 1.186 148 A CA 1.592 53.489 52.037 -0.233 0.000 0.620 148 A CB -0.798 18.093 19.000 -0.182 0.000 0.822 148 A HN 0.462 nan 8.150 nan 0.000 0.443 149 L N -1.160 119.800 121.223 -0.438 0.000 2.141 149 L HA -0.158 4.182 4.340 0.001 0.000 0.209 149 L C 2.591 179.008 176.870 -0.756 0.000 1.094 149 L CA 1.547 55.971 54.840 -0.693 0.000 0.763 149 L CB -0.518 41.141 42.059 -0.668 0.000 0.908 149 L HN 0.402 nan 8.230 nan 0.000 0.437 150 E N 0.779 120.706 120.200 -0.454 0.000 2.072 150 E HA -0.211 4.139 4.350 0.001 0.000 0.191 150 E C 2.040 178.470 176.600 -0.284 0.000 0.985 150 E CA 1.318 57.533 56.400 -0.309 0.000 0.801 150 E CB 0.096 29.673 29.700 -0.206 0.000 0.750 150 E HN 0.387 nan 8.360 nan 0.000 0.452 151 E N -0.263 119.769 120.200 -0.281 0.000 2.152 151 E HA -0.123 4.228 4.350 0.001 0.000 0.192 151 E C 1.867 178.353 176.600 -0.189 0.000 0.983 151 E CA 0.687 56.963 56.400 -0.206 0.000 0.818 151 E CB 0.034 29.625 29.700 -0.182 0.000 0.758 151 E HN 0.068 nan 8.360 nan 0.000 0.467 152 K N 0.223 120.456 120.400 -0.278 0.000 2.062 152 K HA -0.142 4.178 4.320 0.001 0.000 0.205 152 K C 0.662 177.206 176.600 -0.093 0.000 1.051 152 K CA 1.419 57.583 56.287 -0.206 0.000 0.941 152 K CB 0.211 32.552 32.500 -0.265 0.000 0.719 152 K HN 0.230 nan 8.250 nan 0.000 0.440 153 Y N -3.514 116.741 120.300 -0.074 0.000 2.898 153 Y HA 0.397 4.947 4.550 0.001 0.000 0.249 153 Y C 0.289 176.144 175.900 -0.074 0.000 1.108 153 Y CA -0.497 57.562 58.100 -0.069 0.000 1.184 153 Y CB -0.102 38.319 38.460 -0.065 0.000 1.245 153 Y HN 0.131 nan 8.280 nan 0.000 0.611 154 G N 0.462 109.235 108.800 -0.045 0.000 2.155 154 G HA2 0.024 3.984 3.960 0.001 0.000 0.257 154 G HA3 0.024 3.984 3.960 0.001 0.000 0.257 154 G C 1.428 176.362 174.900 0.056 0.000 0.983 154 G CA 0.840 45.939 45.100 -0.001 0.000 0.676 154 G HN 1.758 nan 8.290 nan 0.000 0.528 155 G N -0.390 108.403 108.800 -0.011 0.000 2.596 155 G HA2 -0.242 3.718 3.960 0.001 0.000 0.304 155 G HA3 -0.242 3.718 3.960 0.001 0.000 0.304 155 G C 0.788 175.761 174.900 0.122 0.000 1.189 155 G CA 0.837 45.947 45.100 0.016 0.000 0.986 155 G HN 1.005 nan 8.290 nan 0.000 0.548 156 F N 1.392 121.506 119.950 0.272 0.000 2.722 156 F HA 0.277 4.804 4.527 0.001 0.000 0.298 156 F C 2.488 178.344 175.800 0.093 0.000 1.175 156 F CA 0.853 58.987 58.000 0.223 0.000 1.462 156 F CB -0.090 39.091 39.000 0.303 0.000 1.111 156 F HN 0.174 nan 8.300 nan 0.000 0.592 157 L N -0.806 120.494 121.223 0.128 0.000 2.567 157 L HA 0.005 4.345 4.340 0.001 0.000 0.225 157 L C 0.527 177.393 176.870 -0.006 0.000 1.119 157 L CA -0.104 54.719 54.840 -0.029 0.000 0.871 157 L CB -0.381 41.601 42.059 -0.129 0.000 1.036 157 L HN -0.097 nan 8.230 nan 0.000 0.459 158 D N 1.723 122.150 120.400 0.044 0.000 3.167 158 D HA -0.164 4.476 4.640 0.001 0.000 0.232 158 D C 1.110 177.264 176.300 -0.243 0.000 1.231 158 D CA 0.741 54.689 54.000 -0.085 0.000 0.845 158 D CB 0.650 41.311 40.800 -0.233 0.000 1.157 158 D HN 0.132 nan 8.370 nan 0.000 0.576 159 K N 1.662 121.920 120.400 -0.236 0.000 2.211 159 K HA -0.120 4.201 4.320 0.001 0.000 0.203 159 K C 1.944 178.245 176.600 -0.499 0.000 1.050 159 K CA 1.168 57.242 56.287 -0.354 0.000 0.945 159 K CB 0.014 32.410 32.500 -0.173 0.000 0.732 159 K HN 0.490 nan 8.250 nan 0.000 0.451 160 S N -0.168 115.339 115.700 -0.321 0.000 2.522 160 S HA -0.127 4.343 4.470 0.001 0.000 0.227 160 S C 0.478 175.017 174.600 -0.101 0.000 0.986 160 S CA 0.351 58.435 58.200 -0.192 0.000 0.929 160 S CB -0.318 62.801 63.200 -0.134 0.000 0.769 160 S HN 0.326 nan 8.310 nan 0.000 0.529 161 H N 0.160 119.224 119.070 -0.008 0.000 3.141 161 H HA -0.134 4.422 4.556 0.001 0.000 0.260 161 H C 0.943 176.297 175.328 0.044 0.000 1.132 161 H CA 1.599 57.680 56.048 0.054 0.000 1.171 161 H CB -1.544 28.279 29.762 0.103 0.000 1.274 161 H HN 0.580 nan 8.280 nan 0.000 0.329 162 K N -0.594 119.831 120.400 0.040 0.000 2.313 162 K HA 0.150 4.471 4.320 0.001 0.000 0.215 162 K C 2.089 178.660 176.600 -0.047 0.000 1.109 162 K CA 0.595 56.898 56.287 0.026 0.000 0.895 162 K CB 0.406 32.911 32.500 0.009 0.000 1.234 162 K HN -0.005 nan 8.250 nan 0.000 0.463 163 S N 2.147 117.724 115.700 -0.205 0.000 2.380 163 S HA -0.238 4.232 4.470 0.001 0.000 0.229 163 S C 1.953 176.411 174.600 -0.237 0.000 1.050 163 S CA 1.870 59.869 58.200 -0.334 0.000 1.100 163 S CB -0.385 62.311 63.200 -0.840 0.000 0.984 163 S HN 0.233 nan 8.310 nan 0.000 0.434 164 I N 1.531 121.894 120.570 -0.346 0.000 2.264 164 I HA -0.118 4.052 4.170 0.001 0.000 0.248 164 I C 2.024 178.249 176.117 0.180 0.000 1.111 164 I CA 1.093 62.374 61.300 -0.032 0.000 1.382 164 I CB -0.385 37.568 38.000 -0.078 0.000 1.060 164 I HN 0.106 nan 8.210 nan 0.000 0.418 165 V N 0.734 120.751 119.914 0.171 0.000 2.323 165 V HA -0.232 3.889 4.120 0.001 0.000 0.244 165 V C 2.374 178.623 176.094 0.258 0.000 1.041 165 V CA 2.066 64.523 62.300 0.261 0.000 1.025 165 V CB -0.814 31.139 31.823 0.216 0.000 0.656 165 V HN 0.455 nan 8.190 nan 0.000 0.451 166 E N -0.011 120.298 120.200 0.182 0.000 2.077 166 E HA -0.219 4.131 4.350 0.001 0.000 0.193 166 E C 1.926 178.668 176.600 0.236 0.000 0.989 166 E CA 1.443 57.946 56.400 0.172 0.000 0.800 166 E CB -0.237 29.528 29.700 0.109 0.000 0.746 166 E HN 0.593 nan 8.360 nan 0.000 0.452 167 D N 0.443 121.019 120.400 0.294 0.000 2.084 167 D HA -0.171 4.470 4.640 0.001 0.000 0.194 167 D C 1.861 178.454 176.300 0.490 0.000 0.990 167 D CA 0.993 55.254 54.000 0.435 0.000 0.826 167 D CB -0.488 40.619 40.800 0.511 0.000 0.971 167 D HN 0.149 nan 8.370 nan 0.000 0.453 168 Y N 2.068 122.582 120.300 0.356 0.000 2.114 168 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 168 Y C 2.389 178.259 175.900 -0.051 0.000 1.165 168 Y CA 1.999 60.124 58.100 0.042 0.000 1.148 168 Y CB -0.673 37.898 38.460 0.186 0.000 0.972 168 Y HN -0.099 nan 8.280 nan 0.000 0.504 169 T N -0.148 114.426 114.554 0.033 0.000 2.665 169 T HA -0.298 4.052 4.350 0.001 0.000 0.268 169 T C 1.498 176.101 174.700 -0.161 0.000 1.035 169 T CA 1.924 63.977 62.100 -0.078 0.000 1.151 169 T CB -0.934 68.003 68.868 0.114 0.000 0.862 169 T HN 0.565 nan 8.240 nan 0.000 0.438 170 Y N 1.239 121.481 120.300 -0.095 0.000 2.181 170 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 170 Y C 2.047 177.841 175.900 -0.176 0.000 1.146 170 Y CA 0.836 58.889 58.100 -0.078 0.000 1.164 170 Y CB -0.674 37.810 38.460 0.039 0.000 0.982 170 Y HN 0.230 nan 8.280 nan 0.000 0.515 171 F N 0.679 120.347 119.950 -0.469 0.000 2.161 171 F HA -0.153 4.374 4.527 0.001 0.000 0.300 171 F C 2.176 177.418 175.800 -0.930 0.000 1.089 171 F CA 1.369 58.929 58.000 -0.733 0.000 1.282 171 F CB -1.086 37.214 39.000 -1.168 0.000 1.010 171 F HN 0.072 nan 8.300 nan 0.000 0.485 172 A N 0.382 122.407 122.820 -1.324 0.000 1.898 172 A HA -0.175 4.145 4.320 0.001 0.000 0.216 172 A C 2.390 178.960 177.584 -1.690 0.000 1.181 172 A CA 1.590 52.621 52.037 -1.676 0.000 0.620 172 A CB -0.823 17.331 19.000 -1.410 0.000 0.819 172 A HN 0.450 nan 8.150 nan 0.000 0.442 173 K N -0.088 119.705 120.400 -1.012 0.000 2.009 173 K HA -0.132 4.188 4.320 0.001 0.000 0.210 173 K C 1.829 178.017 176.600 -0.686 0.000 1.049 173 K CA 1.838 57.732 56.287 -0.654 0.000 0.929 173 K CB -0.355 31.957 32.500 -0.313 0.000 0.714 173 K HN 0.210 nan 8.250 nan 0.000 0.440 174 V N 1.112 120.567 119.914 -0.764 0.000 2.332 174 V HA -0.365 3.755 4.120 0.001 0.000 0.248 174 V C 2.561 178.329 176.094 -0.543 0.000 1.055 174 V CA 1.929 63.883 62.300 -0.577 0.000 1.038 174 V CB -0.565 30.968 31.823 -0.483 0.000 0.651 174 V HN 0.538 nan 8.190 nan 0.000 0.450 175 C N -0.536 118.356 119.300 -0.679 0.000 2.429 175 C HA -0.125 4.336 4.460 0.001 0.000 0.277 175 C C 2.506 177.253 174.990 -0.406 0.000 1.262 175 C CA 0.592 59.333 59.018 -0.461 0.000 1.733 175 C CB -1.272 26.094 27.740 -0.624 0.000 2.010 175 C HN 0.530 nan 8.230 nan 0.000 0.483 176 F N 1.526 121.023 119.950 -0.754 0.000 2.102 176 F HA -0.091 4.437 4.527 0.001 0.000 0.298 176 F C 2.201 177.723 175.800 -0.464 0.000 1.105 176 F CA 1.296 58.779 58.000 -0.862 0.000 1.239 176 F CB -1.431 36.540 39.000 -1.715 0.000 0.991 176 F HN 0.212 nan 8.300 nan 0.000 0.474 177 D N -0.002 120.268 120.400 -0.217 0.000 2.133 177 D HA -0.179 4.462 4.640 0.001 0.000 0.195 177 D C 1.677 177.903 176.300 -0.124 0.000 0.997 177 D CA 1.517 55.481 54.000 -0.060 0.000 0.840 177 D CB -0.471 40.270 40.800 -0.099 0.000 0.947 177 D HN 0.332 nan 8.370 nan 0.000 0.452 178 N N -1.474 117.016 118.700 -0.349 0.000 2.368 178 N HA 0.070 4.810 4.740 0.001 0.000 0.178 178 N C 0.563 175.836 175.510 -0.396 0.000 1.076 178 N CA 0.177 52.934 53.050 -0.488 0.000 0.889 178 N CB 0.310 38.306 38.487 -0.819 0.000 1.040 178 N HN 0.089 nan 8.380 nan 0.000 0.463 179 F N -1.229 118.833 119.950 0.187 0.000 2.728 179 F HA 0.467 4.994 4.527 0.001 0.000 0.314 179 F C 2.088 178.107 175.800 0.365 0.000 1.094 179 F CA -0.639 57.514 58.000 0.255 0.000 1.217 179 F CB -0.470 38.707 39.000 0.296 0.000 1.056 179 F HN -0.080 nan 8.300 nan 0.000 0.577 180 G N 1.171 110.273 108.800 0.504 0.000 2.450 180 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 180 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 180 G C 1.483 176.591 174.900 0.347 0.000 1.130 180 G CA 1.424 46.828 45.100 0.507 0.000 0.760 180 G HN 0.449 nan 8.290 nan 0.000 0.557 181 D N 0.264 120.811 120.400 0.245 0.000 2.219 181 D HA -0.068 4.573 4.640 0.001 0.000 0.205 181 D C 1.853 178.241 176.300 0.147 0.000 0.970 181 D CA 0.795 54.895 54.000 0.168 0.000 0.851 181 D CB -0.113 40.763 40.800 0.127 0.000 0.943 181 D HN 0.207 nan 8.370 nan 0.000 0.488 182 K N 0.265 120.764 120.400 0.166 0.000 2.313 182 K HA 0.167 4.487 4.320 0.001 0.000 0.197 182 K C 0.568 177.197 176.600 0.048 0.000 1.061 182 K CA -0.030 56.321 56.287 0.107 0.000 0.980 182 K CB 0.916 33.484 32.500 0.114 0.000 0.888 182 K HN 0.063 nan 8.250 nan 0.000 0.502 183 V N 3.278 123.217 119.914 0.041 0.000 2.488 183 V HA 0.111 4.232 4.120 0.001 0.000 0.277 183 V C 0.844 176.862 176.094 -0.126 0.000 1.046 183 V CA 0.178 62.352 62.300 -0.211 0.000 0.986 183 V CB 1.049 32.491 31.823 -0.636 0.000 0.989 183 V HN 0.179 nan 8.190 nan 0.000 0.475 184 K N 3.053 123.316 120.400 -0.229 0.000 2.387 184 K HA 0.325 4.645 4.320 0.001 0.000 0.203 184 K C -0.130 176.311 176.600 -0.266 0.000 1.030 184 K CA -0.069 56.149 56.287 -0.116 0.000 1.099 184 K CB 0.417 32.873 32.500 -0.074 0.000 0.863 184 K HN 0.564 nan 8.250 nan 0.000 0.529 185 N N 0.425 118.772 118.700 -0.589 0.000 2.571 185 N HA 0.159 4.900 4.740 0.001 0.000 0.286 185 N C -1.681 173.355 175.510 -0.789 0.000 1.138 185 N CA -0.361 52.261 53.050 -0.715 0.000 0.859 185 N CB 1.036 38.726 38.487 -1.328 0.000 1.414 185 N HN -0.002 nan 8.380 nan 0.000 0.529 186 W N 2.046 123.117 121.300 -0.382 0.000 2.689 186 W HA 0.623 5.283 4.660 0.001 0.000 0.340 186 W C -0.116 176.239 176.519 -0.273 0.000 1.060 186 W CA -0.604 56.539 57.345 -0.336 0.000 1.218 186 W CB 1.550 30.804 29.460 -0.343 0.000 1.410 186 W HN 0.145 nan 8.180 nan 0.000 0.528 187 L N 2.898 124.121 121.223 -0.001 0.000 2.415 187 L HA 0.226 4.566 4.340 0.001 0.000 0.268 187 L C 1.343 178.203 176.870 -0.017 0.000 0.984 187 L CA -0.433 54.378 54.840 -0.049 0.000 0.853 187 L CB 1.866 43.832 42.059 -0.155 0.000 1.215 187 L HN 0.722 nan 8.230 nan 0.000 0.419 188 T N 0.115 114.716 114.554 0.078 0.000 2.708 188 T HA -0.026 4.325 4.350 0.001 0.000 0.266 188 T C 0.465 175.075 174.700 -0.150 0.000 1.037 188 T CA 1.216 63.379 62.100 0.105 0.000 1.146 188 T CB -0.059 69.106 68.868 0.494 0.000 0.865 188 T HN 0.128 nan 8.240 nan 0.000 0.435 189 F N 1.052 120.964 119.950 -0.063 0.000 2.603 189 F HA 0.617 5.145 4.527 0.001 0.000 0.317 189 F C -0.251 175.383 175.800 -0.276 0.000 1.066 189 F CA -1.709 56.218 58.000 -0.121 0.000 0.941 189 F CB 1.865 40.720 39.000 -0.242 0.000 1.291 189 F HN 0.080 nan 8.300 nan 0.000 0.472 190 N N 0.548 119.158 118.700 -0.150 0.000 2.399 190 N HA 0.290 5.031 4.740 0.001 0.000 0.280 190 N C -1.405 173.969 175.510 -0.228 0.000 1.008 190 N CA -0.316 52.496 53.050 -0.395 0.000 0.894 190 N CB 0.914 38.848 38.487 -0.922 0.000 1.273 190 N HN 0.639 nan 8.380 nan 0.000 0.486 191 E N 1.560 121.645 120.200 -0.192 0.000 2.222 191 E HA -0.186 4.164 4.350 0.001 0.000 0.189 191 E C -1.825 174.706 176.600 -0.114 0.000 1.415 191 E CA -0.094 56.267 56.400 -0.065 0.000 0.689 191 E CB -0.669 29.092 29.700 0.102 0.000 1.107 191 E HN 0.646 nan 8.360 nan 0.000 0.350 192 P HA -0.263 nan 4.420 nan 0.000 0.216 192 P C 1.511 178.360 177.300 -0.751 0.000 1.153 192 P CA 1.064 63.653 63.100 -0.851 0.000 0.858 192 P CB 0.131 30.651 31.700 -1.966 0.000 0.789 193 Q N -0.429 119.033 119.800 -0.562 0.000 2.030 193 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 193 Q C 1.963 177.788 176.000 -0.291 0.000 0.986 193 Q CA 2.357 58.019 55.803 -0.236 0.000 0.843 193 Q CB -1.237 27.544 28.738 0.073 0.000 0.904 193 Q HN 0.173 nan 8.270 nan 0.000 0.420 194 T N 1.192 115.531 114.554 -0.358 0.000 2.684 194 T HA -0.159 4.192 4.350 0.001 0.000 0.267 194 T C 1.509 175.765 174.700 -0.741 0.000 1.036 194 T CA 1.447 63.114 62.100 -0.722 0.000 1.148 194 T CB -0.608 67.918 68.868 -0.569 0.000 0.863 194 T HN 0.350 nan 8.240 nan 0.000 0.436 195 F N 2.653 122.201 119.950 -0.670 0.000 2.065 195 F HA -0.233 4.295 4.527 0.001 0.000 0.298 195 F C 2.659 178.235 175.800 -0.373 0.000 1.112 195 F CA 2.112 59.696 58.000 -0.692 0.000 1.212 195 F CB -1.004 37.687 39.000 -0.515 0.000 0.975 195 F HN 0.265 nan 8.300 nan 0.000 0.476 196 T N -2.690 111.667 114.554 -0.328 0.000 2.737 196 T HA -0.129 4.222 4.350 0.001 0.000 0.265 196 T C 2.171 176.790 174.700 -0.136 0.000 1.038 196 T CA 1.455 63.438 62.100 -0.195 0.000 1.144 196 T CB -0.993 67.862 68.868 -0.023 0.000 0.866 196 T HN 0.259 nan 8.240 nan 0.000 0.434 197 S N 1.000 116.627 115.700 -0.122 0.000 2.382 197 S HA 0.073 4.544 4.470 0.001 0.000 0.228 197 S C 1.549 176.150 174.600 0.002 0.000 1.027 197 S CA 0.905 59.098 58.200 -0.011 0.000 0.991 197 S CB -0.466 62.762 63.200 0.047 0.000 0.823 197 S HN 0.433 nan 8.310 nan 0.000 0.469 198 F N 1.591 121.213 119.950 -0.548 0.000 2.335 198 F HA 0.184 4.712 4.527 0.001 0.000 0.296 198 F C 2.574 177.979 175.800 -0.660 0.000 1.091 198 F CA -0.056 57.501 58.000 -0.740 0.000 1.399 198 F CB -1.057 37.086 39.000 -1.429 0.000 1.067 198 F HN 0.091 nan 8.300 nan 0.000 0.520 199 S N -1.483 113.873 115.700 -0.573 0.000 2.425 199 S HA -0.090 4.381 4.470 0.001 0.000 0.225 199 S C 0.975 174.951 174.600 -1.040 0.000 1.024 199 S CA 0.854 58.488 58.200 -0.943 0.000 0.951 199 S CB -0.234 62.039 63.200 -1.546 0.000 0.796 199 S HN 0.390 nan 8.310 nan 0.000 0.498 200 Y N 0.036 120.170 120.300 -0.278 0.000 2.588 200 Y HA 0.459 5.009 4.550 0.001 0.000 0.247 200 Y C 1.748 177.555 175.900 -0.154 0.000 1.157 200 Y CA -0.445 57.541 58.100 -0.190 0.000 1.215 200 Y CB -0.058 38.308 38.460 -0.156 0.000 1.245 200 Y HN 0.226 nan 8.280 nan 0.000 0.534 201 G N 0.001 108.752 108.800 -0.081 0.000 2.805 201 G HA2 -0.056 3.905 3.960 0.001 0.000 0.214 201 G HA3 -0.056 3.905 3.960 0.001 0.000 0.214 201 G C 1.476 176.290 174.900 -0.142 0.000 1.220 201 G CA 0.842 45.891 45.100 -0.086 0.000 0.854 201 G HN 0.264 nan 8.290 nan 0.000 0.623 202 T N -1.936 112.487 114.554 -0.218 0.000 3.107 202 T HA 0.357 4.708 4.350 0.001 0.000 0.249 202 T C 1.928 176.442 174.700 -0.310 0.000 1.096 202 T CA 1.075 63.000 62.100 -0.292 0.000 1.012 202 T CB 0.171 68.771 68.868 -0.447 0.000 0.977 202 T HN 1.445 nan 8.240 nan 0.000 0.527 203 G N 0.844 109.468 108.800 -0.294 0.000 2.200 203 G HA2 -0.299 3.661 3.960 0.001 0.000 0.267 203 G HA3 -0.299 3.661 3.960 0.001 0.000 0.267 203 G C 0.890 175.610 174.900 -0.301 0.000 0.993 203 G CA 0.452 45.381 45.100 -0.285 0.000 0.701 203 G HN 0.560 nan 8.290 nan 0.000 0.524 204 V N -0.670 119.012 119.914 -0.387 0.000 2.970 204 V HA 0.230 4.351 4.120 0.001 0.000 0.260 204 V C 1.306 177.427 176.094 0.046 0.000 1.100 204 V CA 1.149 63.240 62.300 -0.348 0.000 1.122 204 V CB -0.425 30.910 31.823 -0.812 0.000 0.721 204 V HN 0.331 nan 8.190 nan 0.000 0.483 205 F N -1.299 118.420 119.950 -0.386 0.000 2.461 205 F HA 0.687 5.214 4.527 0.001 0.000 0.332 205 F C 1.378 176.404 175.800 -1.290 0.000 1.073 205 F CA -1.303 56.410 58.000 -0.478 0.000 1.017 205 F CB 0.547 39.361 39.000 -0.309 0.000 1.301 205 F HN 0.047 nan 8.300 nan 0.000 0.492 206 A N 1.629 123.416 122.820 -1.722 0.000 2.028 206 A HA -0.324 3.996 4.320 0.001 0.000 0.296 206 A C -0.786 175.926 177.584 -1.453 0.000 3.464 206 A CA 3.014 53.806 52.037 -2.075 0.000 1.008 206 A CB -2.686 15.472 19.000 -1.403 0.000 0.658 206 A HN 0.617 nan 8.150 nan 0.000 0.482 207 P HA 0.072 nan 4.420 nan 0.000 0.215 207 P C 1.093 178.140 177.300 -0.421 0.000 1.157 207 P CA 2.332 65.127 63.100 -0.508 0.000 0.868 207 P CB -0.306 31.159 31.700 -0.392 0.000 0.788 208 G N -1.283 107.186 108.800 -0.553 0.000 2.165 208 G HA2 -0.213 3.747 3.960 0.001 0.000 0.226 208 G HA3 -0.213 3.747 3.960 0.001 0.000 0.226 208 G C -0.113 174.769 174.900 -0.030 0.000 1.035 208 G CA -0.524 44.432 45.100 -0.240 0.000 0.744 208 G HN 0.276 nan 8.290 nan 0.000 0.501 209 R N -0.743 119.689 120.500 -0.114 0.000 2.598 209 R HA 0.830 5.171 4.340 0.001 0.000 0.279 209 R C 0.492 176.768 176.300 -0.040 0.000 0.984 209 R CA 0.135 56.236 56.100 0.002 0.000 0.999 209 R CB 1.626 31.971 30.300 0.076 0.000 1.114 209 R HN 0.938 nan 8.270 nan 0.000 0.493 210 c N -1.904 116.690 118.600 -0.011 0.000 3.275 210 c HA 0.420 4.990 4.570 0.001 0.000 0.340 210 c C -0.097 173.978 174.090 -0.025 0.000 1.366 210 c CA -1.161 55.144 56.329 -0.041 0.000 1.227 210 c CB 1.189 43.647 42.510 -0.086 0.000 1.512 210 c HN 0.750 nan 8.230 nan 0.000 0.461 211 S N 2.485 118.163 115.700 -0.038 0.000 2.568 211 S HA 0.404 4.874 4.470 0.001 0.000 0.282 211 S C -2.386 172.192 174.600 -0.036 0.000 1.338 211 S CA 0.134 58.314 58.200 -0.034 0.000 1.045 211 S CB 0.090 63.262 63.200 -0.045 0.000 0.873 211 S HN 0.733 nan 8.310 nan 0.000 0.516 212 P HA 0.179 nan 4.420 nan 0.000 0.266 212 P C 0.973 178.249 177.300 -0.040 0.000 1.195 212 P CA 0.952 64.034 63.100 -0.029 0.000 0.768 212 P CB 0.275 31.962 31.700 -0.022 0.000 0.838 213 G N 1.252 110.026 108.800 -0.043 0.000 2.258 213 G HA2 -0.205 3.756 3.960 0.001 0.000 0.233 213 G HA3 -0.205 3.756 3.960 0.001 0.000 0.233 213 G C -0.018 174.847 174.900 -0.059 0.000 1.006 213 G CA -0.297 44.774 45.100 -0.049 0.000 0.620 213 G HN 0.439 nan 8.290 nan 0.000 0.511 214 L N 0.686 121.870 121.223 -0.065 0.000 2.454 214 L HA 0.624 4.964 4.340 0.001 0.000 0.256 214 L C 0.076 176.896 176.870 -0.084 0.000 1.136 214 L CA -0.647 54.145 54.840 -0.080 0.000 0.804 214 L CB 0.881 42.886 42.059 -0.089 0.000 1.181 214 L HN 0.132 nan 8.230 nan 0.000 0.469 215 D N 0.962 121.302 120.400 -0.099 0.000 2.485 215 D HA 0.409 5.049 4.640 0.001 0.000 0.221 215 D C -0.854 175.374 176.300 -0.121 0.000 1.112 215 D CA -0.320 53.619 54.000 -0.102 0.000 0.911 215 D CB 0.514 41.257 40.800 -0.096 0.000 1.019 215 D HN 0.637 nan 8.370 nan 0.000 0.516 216 c N 1.140 119.670 118.600 -0.116 0.000 3.332 216 c HA 0.871 5.442 4.570 0.001 0.000 0.329 216 c C 1.930 175.928 174.090 -0.153 0.000 1.434 216 c CA -0.129 56.128 56.329 -0.120 0.000 1.314 216 c CB 0.989 43.430 42.510 -0.116 0.000 1.664 216 c HN 0.453 nan 8.230 nan 0.000 0.457 217 A N 0.026 122.734 122.820 -0.186 0.000 1.892 217 A HA 0.001 4.322 4.320 0.001 0.000 0.218 217 A C 0.572 177.777 177.584 -0.633 0.000 1.188 217 A CA 1.705 53.454 52.037 -0.480 0.000 0.631 217 A CB -0.835 17.796 19.000 -0.616 0.000 0.822 217 A HN 1.013 nan 8.150 nan 0.000 0.447 218 Y N -0.641 119.588 120.300 -0.119 0.000 2.863 218 Y HA 0.335 4.886 4.550 0.001 0.000 0.348 218 Y C -2.224 173.641 175.900 -0.058 0.000 1.028 218 Y CA -2.511 55.547 58.100 -0.069 0.000 1.213 218 Y CB 1.003 39.437 38.460 -0.042 0.000 1.120 218 Y HN 0.213 nan 8.280 nan 0.000 0.598 219 P HA 0.014 nan 4.420 nan 0.000 0.237 219 P C 0.513 177.824 177.300 0.018 0.000 1.723 219 P CA 0.286 63.385 63.100 -0.001 0.000 0.882 219 P CB -0.363 31.314 31.700 -0.039 0.000 1.810 220 T N -4.536 110.051 114.554 0.054 0.000 3.252 220 T HA 0.409 4.760 4.350 0.001 0.000 0.286 220 T C 0.880 175.600 174.700 0.034 0.000 1.013 220 T CA -0.272 61.854 62.100 0.043 0.000 0.914 220 T CB 0.302 69.208 68.868 0.063 0.000 1.131 220 T HN 0.063 nan 8.240 nan 0.000 0.529 221 G N 1.270 110.089 108.800 0.032 0.000 2.945 221 G HA2 0.529 4.489 3.960 0.001 0.000 0.156 221 G HA3 0.529 4.489 3.960 0.001 0.000 0.156 221 G C -0.711 174.193 174.900 0.008 0.000 1.375 221 G CA -0.681 44.434 45.100 0.025 0.000 1.039 221 G HN 0.397 nan 8.290 nan 0.000 0.586 222 N N -1.197 117.506 118.700 0.006 0.000 2.793 222 N HA 0.110 4.850 4.740 0.001 0.000 0.251 222 N C 0.687 176.193 175.510 -0.006 0.000 1.308 222 N CA -0.245 52.802 53.050 -0.005 0.000 0.781 222 N CB 1.139 39.624 38.487 -0.004 0.000 1.439 222 N HN 0.108 nan 8.380 nan 0.000 0.562 223 S N 1.757 117.444 115.700 -0.022 0.000 2.440 223 S HA -0.080 4.391 4.470 0.001 0.000 0.240 223 S C 1.607 176.177 174.600 -0.050 0.000 1.014 223 S CA 0.784 58.960 58.200 -0.039 0.000 0.980 223 S CB 0.052 63.214 63.200 -0.064 0.000 0.775 223 S HN 0.614 nan 8.310 nan 0.000 0.499 224 L N 0.089 121.300 121.223 -0.020 0.000 2.529 224 L HA 0.140 4.481 4.340 0.001 0.000 0.223 224 L C 1.405 178.349 176.870 0.124 0.000 1.113 224 L CA 0.216 55.073 54.840 0.029 0.000 0.861 224 L CB 0.139 42.205 42.059 0.012 0.000 1.012 224 L HN 0.215 nan 8.230 nan 0.000 0.461 225 V N -1.760 118.200 119.914 0.077 0.000 3.029 225 V HA 0.010 4.131 4.120 0.001 0.000 0.230 225 V C 1.982 178.133 176.094 0.095 0.000 1.254 225 V CA 0.227 62.602 62.300 0.124 0.000 1.276 225 V CB 0.166 32.020 31.823 0.051 0.000 1.080 225 V HN 0.181 nan 8.190 nan 0.000 0.495 226 E N 0.933 121.143 120.200 0.017 0.000 2.097 226 E HA -0.227 4.123 4.350 0.001 0.000 0.196 226 E C -0.564 176.013 176.600 -0.038 0.000 1.000 226 E CA 2.017 58.385 56.400 -0.053 0.000 0.804 226 E CB -1.123 28.519 29.700 -0.097 0.000 0.740 226 E HN 0.515 nan 8.360 nan 0.000 0.454 227 P HA -0.172 nan 4.420 nan 0.000 0.216 227 P C 0.775 178.198 177.300 0.204 0.000 1.150 227 P CA 1.262 64.405 63.100 0.072 0.000 0.837 227 P CB -0.081 31.597 31.700 -0.036 0.000 0.786 228 Y N -0.888 119.580 120.300 0.280 0.000 2.263 228 Y HA -0.109 4.441 4.550 0.001 0.000 0.292 228 Y C 2.492 178.530 175.900 0.231 0.000 1.130 228 Y CA 1.327 59.596 58.100 0.282 0.000 1.179 228 Y CB -1.793 36.653 38.460 -0.025 0.000 0.998 228 Y HN -0.076 nan 8.280 nan 0.000 0.532 229 T N 0.036 114.754 114.554 0.273 0.000 2.708 229 T HA -0.234 4.116 4.350 0.001 0.000 0.266 229 T C 2.264 177.123 174.700 0.265 0.000 1.037 229 T CA 1.534 63.769 62.100 0.224 0.000 1.146 229 T CB -0.678 68.251 68.868 0.103 0.000 0.865 229 T HN 0.424 nan 8.240 nan 0.000 0.435 230 A N 1.411 124.328 122.820 0.161 0.000 1.877 230 A HA 0.141 4.462 4.320 0.001 0.000 0.216 230 A C 2.663 180.412 177.584 0.274 0.000 1.186 230 A CA 1.818 53.975 52.037 0.199 0.000 0.620 230 A CB -1.386 17.654 19.000 0.068 0.000 0.822 230 A HN 0.513 nan 8.150 nan 0.000 0.443 231 G N -1.792 107.205 108.800 0.329 0.000 2.432 231 G HA2 -0.290 3.670 3.960 0.001 0.000 0.219 231 G HA3 -0.290 3.670 3.960 0.001 0.000 0.219 231 G C 1.611 176.786 174.900 0.458 0.000 1.135 231 G CA 1.159 46.512 45.100 0.422 0.000 0.767 231 G HN 0.698 nan 8.290 nan 0.000 0.550 232 H N 0.813 120.108 119.070 0.376 0.000 2.389 232 H HA -0.001 4.555 4.556 0.001 0.000 0.299 232 H C 2.349 177.850 175.328 0.288 0.000 1.081 232 H CA 1.281 57.533 56.048 0.341 0.000 1.345 232 H CB 0.085 29.945 29.762 0.163 0.000 1.393 232 H HN 0.201 nan 8.280 nan 0.000 0.520 233 N N 0.790 119.728 118.700 0.397 0.000 2.142 233 N HA -0.097 4.644 4.740 0.001 0.000 0.186 233 N C 2.304 177.960 175.510 0.244 0.000 1.023 233 N CA 0.784 54.068 53.050 0.389 0.000 0.852 233 N CB -0.204 38.587 38.487 0.506 0.000 0.998 233 N HN 0.410 nan 8.380 nan 0.000 0.424 234 I N 1.189 121.774 120.570 0.024 0.000 2.163 234 I HA -0.277 3.893 4.170 0.001 0.000 0.243 234 I C 2.158 178.011 176.117 -0.439 0.000 1.085 234 I CA 0.979 61.952 61.300 -0.545 0.000 1.347 234 I CB -0.302 37.142 38.000 -0.926 0.000 1.044 234 I HN 0.082 nan 8.210 nan 0.000 0.408 235 L N 0.166 121.316 121.223 -0.121 0.000 2.012 235 L HA -0.244 4.096 4.340 0.001 0.000 0.210 235 L C 2.579 179.476 176.870 0.046 0.000 1.073 235 L CA 1.413 56.243 54.840 -0.017 0.000 0.748 235 L CB -0.497 41.607 42.059 0.075 0.000 0.891 235 L HN 0.285 nan 8.230 nan 0.000 0.431 236 L N -0.625 120.655 121.223 0.094 0.000 2.046 236 L HA -0.212 4.129 4.340 0.001 0.000 0.208 236 L C 2.876 179.851 176.870 0.175 0.000 1.077 236 L CA 1.177 56.104 54.840 0.145 0.000 0.747 236 L CB -0.775 41.407 42.059 0.206 0.000 0.896 236 L HN 0.265 nan 8.230 nan 0.000 0.432 237 A N -0.430 122.512 122.820 0.203 0.000 1.902 237 A HA -0.301 4.019 4.320 0.001 0.000 0.217 237 A C 2.106 179.920 177.584 0.384 0.000 1.181 237 A CA 1.979 54.211 52.037 0.325 0.000 0.623 237 A CB -0.833 18.358 19.000 0.320 0.000 0.818 237 A HN 0.540 nan 8.150 nan 0.000 0.443 238 H N 0.249 119.416 119.070 0.162 0.000 2.290 238 H HA -0.049 4.508 4.556 0.001 0.000 0.298 238 H C 2.180 177.624 175.328 0.194 0.000 1.087 238 H CA 2.321 58.509 56.048 0.234 0.000 1.291 238 H CB -0.464 29.317 29.762 0.032 0.000 1.369 238 H HN 0.372 nan 8.280 nan 0.000 0.492 239 A N 0.456 123.289 122.820 0.022 0.000 1.865 239 A HA -0.244 4.076 4.320 0.001 0.000 0.217 239 A C 2.386 179.969 177.584 -0.001 0.000 1.191 239 A CA 2.065 54.069 52.037 -0.055 0.000 0.623 239 A CB -0.854 18.145 19.000 -0.001 0.000 0.826 239 A HN 0.567 nan 8.150 nan 0.000 0.444 240 E N -0.191 120.063 120.200 0.090 0.000 2.130 240 E HA -0.128 4.223 4.350 0.001 0.000 0.196 240 E C 2.078 178.748 176.600 0.118 0.000 0.998 240 E CA 1.565 58.034 56.400 0.116 0.000 0.806 240 E CB -0.422 29.379 29.700 0.168 0.000 0.738 240 E HN 0.543 nan 8.360 nan 0.000 0.459 241 A N -0.388 122.518 122.820 0.143 0.000 1.873 241 A HA -0.111 4.209 4.320 0.001 0.000 0.215 241 A C 2.461 180.119 177.584 0.123 0.000 1.186 241 A CA 1.471 53.593 52.037 0.141 0.000 0.616 241 A CB -0.640 18.481 19.000 0.200 0.000 0.823 241 A HN 0.174 nan 8.150 nan 0.000 0.442 242 V N 0.454 120.354 119.914 -0.022 0.000 2.515 242 V HA -0.248 3.873 4.120 0.001 0.000 0.250 242 V C 2.216 178.327 176.094 0.027 0.000 1.058 242 V CA 2.412 64.692 62.300 -0.034 0.000 1.064 242 V CB -0.832 30.871 31.823 -0.200 0.000 0.675 242 V HN 0.708 nan 8.190 nan 0.000 0.461 243 D N -0.239 120.168 120.400 0.011 0.000 2.097 243 D HA -0.191 4.450 4.640 0.001 0.000 0.195 243 D C 1.974 178.293 176.300 0.032 0.000 0.989 243 D CA 1.166 55.172 54.000 0.010 0.000 0.827 243 D CB -0.061 40.748 40.800 0.015 0.000 0.966 243 D HN 0.291 nan 8.370 nan 0.000 0.456 244 L N -0.373 120.912 121.223 0.104 0.000 2.093 244 L HA -0.109 4.231 4.340 0.001 0.000 0.208 244 L C 1.952 178.933 176.870 0.185 0.000 1.085 244 L CA 1.578 56.528 54.840 0.182 0.000 0.755 244 L CB -0.971 41.250 42.059 0.271 0.000 0.904 244 L HN 0.204 nan 8.230 nan 0.000 0.435 245 Y N 0.355 120.628 120.300 -0.045 0.000 2.163 245 Y HA -0.228 4.322 4.550 0.001 0.000 0.288 245 Y C 2.401 178.198 175.900 -0.173 0.000 1.136 245 Y CA 2.055 59.955 58.100 -0.334 0.000 1.147 245 Y CB -0.273 37.825 38.460 -0.604 0.000 0.987 245 Y HN 0.324 nan 8.280 nan 0.000 0.509 246 N N 0.321 118.982 118.700 -0.065 0.000 2.309 246 N HA -0.125 4.615 4.740 0.001 0.000 0.182 246 N C 1.374 176.751 175.510 -0.222 0.000 1.018 246 N CA 1.321 54.292 53.050 -0.131 0.000 0.876 246 N CB -0.165 38.297 38.487 -0.042 0.000 0.972 246 N HN 0.478 nan 8.380 nan 0.000 0.434 247 K N -0.736 119.513 120.400 -0.251 0.000 2.356 247 K HA 0.078 4.398 4.320 0.001 0.000 0.195 247 K C 0.554 176.749 176.600 -0.675 0.000 1.037 247 K CA 0.583 56.618 56.287 -0.420 0.000 1.014 247 K CB 0.395 32.632 32.500 -0.439 0.000 0.815 247 K HN 0.270 nan 8.250 nan 0.000 0.507 248 H N -2.411 116.433 119.070 -0.377 0.000 3.771 248 H HA 0.137 4.694 4.556 0.001 0.000 0.260 248 H C 0.313 175.057 175.328 -0.975 0.000 1.158 248 H CA 0.307 55.950 56.048 -0.675 0.000 1.170 248 H CB 0.759 29.994 29.762 -0.879 0.000 1.539 248 H HN 0.123 nan 8.280 nan 0.000 0.634 249 Y N 0.248 120.256 120.300 -0.486 0.000 2.435 249 Y HA 0.179 4.729 4.550 0.001 0.000 0.270 249 Y C 1.025 176.428 175.900 -0.829 0.000 1.093 249 Y CA -0.473 57.228 58.100 -0.665 0.000 1.226 249 Y CB 0.827 38.734 38.460 -0.922 0.000 1.289 249 Y HN -0.211 nan 8.280 nan 0.000 0.529 250 K N 2.279 122.173 120.400 -0.842 0.000 2.485 250 K HA 0.169 4.489 4.320 0.001 0.000 0.277 250 K C -0.394 176.083 176.600 -0.206 0.000 0.990 250 K CA 0.465 56.432 56.287 -0.534 0.000 0.994 250 K CB 0.418 32.741 32.500 -0.294 0.000 0.906 250 K HN 0.148 nan 8.250 nan 0.000 0.488 251 R N 2.518 122.982 120.500 -0.061 0.000 2.808 251 R HA 0.164 4.505 4.340 0.001 0.000 0.272 251 R C 0.029 176.341 176.300 0.020 0.000 0.995 251 R CA -0.814 55.275 56.100 -0.019 0.000 0.917 251 R CB 1.258 31.563 30.300 0.009 0.000 1.217 251 R HN 0.739 nan 8.270 nan 0.000 0.471 252 D N 0.479 120.887 120.400 0.014 0.000 2.203 252 D HA -0.200 4.441 4.640 0.001 0.000 0.199 252 D C 0.781 177.107 176.300 0.044 0.000 0.997 252 D CA 1.644 55.659 54.000 0.026 0.000 0.863 252 D CB 0.151 40.962 40.800 0.019 0.000 0.928 252 D HN 0.521 nan 8.370 nan 0.000 0.458 253 D N -0.473 119.956 120.400 0.048 0.000 2.388 253 D HA -0.016 4.624 4.640 0.001 0.000 0.221 253 D C 0.058 176.397 176.300 0.064 0.000 1.133 253 D CA -0.031 54.002 54.000 0.055 0.000 0.831 253 D CB -0.380 40.448 40.800 0.047 0.000 0.962 253 D HN 0.158 nan 8.370 nan 0.000 0.502 254 T N -2.179 112.432 114.554 0.096 0.000 2.885 254 T HA 0.746 5.096 4.350 0.001 0.000 0.285 254 T C -0.189 174.610 174.700 0.165 0.000 1.019 254 T CA -0.902 61.283 62.100 0.142 0.000 1.010 254 T CB 2.633 71.661 68.868 0.267 0.000 1.022 254 T HN -0.019 nan 8.240 nan 0.000 0.466 255 R N 1.118 121.682 120.500 0.107 0.000 2.808 255 R HA 0.797 5.138 4.340 0.001 0.000 0.272 255 R C -1.277 175.011 176.300 -0.020 0.000 0.995 255 R CA -0.978 55.168 56.100 0.076 0.000 0.917 255 R CB 2.454 32.793 30.300 0.064 0.000 1.217 255 R HN 0.772 nan 8.270 nan 0.000 0.471 256 I N 0.378 120.932 120.570 -0.027 0.000 2.722 256 I HA 0.710 4.880 4.170 0.001 0.000 0.295 256 I C -0.809 175.358 176.117 0.082 0.000 1.161 256 I CA -0.200 61.044 61.300 -0.093 0.000 1.032 256 I CB 2.212 39.956 38.000 -0.428 0.000 1.244 256 I HN 0.807 nan 8.210 nan 0.000 0.421 257 G N 6.159 115.024 108.800 0.109 0.000 2.588 257 G HA2 0.612 4.572 3.960 0.001 0.000 0.281 257 G HA3 0.612 4.572 3.960 0.001 0.000 0.281 257 G C -1.809 173.133 174.900 0.070 0.000 1.223 257 G CA -0.389 44.818 45.100 0.178 0.000 0.871 257 G HN 0.876 nan 8.290 nan 0.000 0.492 258 L N -3.312 117.824 121.223 -0.146 0.000 2.600 258 L HA 0.983 5.324 4.340 0.001 0.000 0.257 258 L C -0.724 175.802 176.870 -0.572 0.000 1.048 258 L CA -1.336 53.306 54.840 -0.331 0.000 0.869 258 L CB 1.847 43.626 42.059 -0.466 0.000 1.482 258 L HN 1.185 nan 8.230 nan 0.000 0.408 259 A N 0.988 123.468 122.820 -0.567 0.000 2.318 259 A HA 0.837 5.157 4.320 0.001 0.000 0.317 259 A C -1.325 175.929 177.584 -0.551 0.000 1.159 259 A CA -0.310 51.421 52.037 -0.510 0.000 0.799 259 A CB 0.570 19.400 19.000 -0.284 0.000 1.194 259 A HN 0.502 nan 8.150 nan 0.000 0.479 260 F N 1.093 121.011 119.950 -0.054 0.000 2.421 260 F HA 0.418 4.945 4.527 0.001 0.000 0.337 260 F C 0.458 176.275 175.800 0.028 0.000 1.105 260 F CA -0.843 57.139 58.000 -0.031 0.000 1.049 260 F CB 1.487 40.496 39.000 0.014 0.000 1.139 260 F HN 0.708 nan 8.300 nan 0.000 0.479 261 D N 0.679 121.202 120.400 0.205 0.000 2.255 261 D HA 0.510 5.150 4.640 0.001 0.000 0.249 261 D C -0.957 175.482 176.300 0.233 0.000 1.078 261 D CA -0.677 53.426 54.000 0.172 0.000 0.896 261 D CB 2.145 42.978 40.800 0.055 0.000 1.194 261 D HN 0.486 nan 8.370 nan 0.000 0.429 262 V N 2.522 122.603 119.914 0.278 0.000 2.882 262 V HA 0.340 4.461 4.120 0.001 0.000 0.295 262 V C -1.692 174.600 176.094 0.329 0.000 1.273 262 V CA -0.700 61.783 62.300 0.305 0.000 0.949 262 V CB 1.652 33.708 31.823 0.388 0.000 1.071 262 V HN 0.732 nan 8.190 nan 0.000 0.432 263 M N 5.017 124.742 119.600 0.208 0.000 2.363 263 M HA 0.613 5.093 4.480 0.001 0.000 0.343 263 M C 0.783 177.129 176.300 0.076 0.000 1.165 263 M CA -0.201 55.200 55.300 0.169 0.000 1.046 263 M CB 1.767 34.422 32.600 0.092 0.000 1.648 263 M HN 0.821 nan 8.290 nan 0.000 0.452 264 G N 2.100 111.057 108.800 0.261 0.000 2.483 264 G HA2 0.394 4.354 3.960 0.001 0.000 0.248 264 G HA3 0.394 4.354 3.960 0.001 0.000 0.248 264 G C -0.424 174.253 174.900 -0.372 0.000 1.248 264 G CA -0.630 44.497 45.100 0.045 0.000 0.838 264 G HN 0.561 nan 8.290 nan 0.000 0.566 265 R N 1.047 121.062 120.500 -0.808 0.000 2.393 265 R HA 0.460 4.800 4.340 0.001 0.000 0.315 265 R C -1.062 175.148 176.300 -0.150 0.000 0.952 265 R CA -0.702 55.038 56.100 -0.599 0.000 0.842 265 R CB 1.695 31.370 30.300 -1.042 0.000 1.163 265 R HN 0.280 nan 8.270 nan 0.000 0.450 266 V N 4.904 124.735 119.914 -0.138 0.000 2.628 266 V HA 0.386 4.506 4.120 0.001 0.000 0.306 266 V C -2.187 173.979 176.094 0.120 0.000 1.045 266 V CA -2.448 59.846 62.300 -0.009 0.000 0.905 266 V CB 2.493 34.181 31.823 -0.224 0.000 0.997 266 V HN 0.526 nan 8.190 nan 0.000 0.436 267 P HA 0.038 nan 4.420 nan 0.000 0.265 267 P C -0.048 177.449 177.300 0.329 0.000 1.193 267 P CA 0.278 63.516 63.100 0.229 0.000 0.765 267 P CB 0.383 32.195 31.700 0.187 0.000 0.823 268 Y N 4.492 124.904 120.300 0.187 0.000 2.070 268 Y HA -0.098 4.452 4.550 0.001 0.000 0.279 268 Y C 1.514 177.418 175.900 0.007 0.000 1.134 268 Y CA 2.464 60.629 58.100 0.109 0.000 1.113 268 Y CB -0.693 37.773 38.460 0.011 0.000 0.981 268 Y HN 0.431 nan 8.280 nan 0.000 0.487 269 G N -2.001 106.893 108.800 0.157 0.000 2.857 269 G HA2 0.304 4.264 3.960 0.001 0.000 0.217 269 G HA3 0.304 4.264 3.960 0.001 0.000 0.217 269 G C 0.501 175.435 174.900 0.056 0.000 1.357 269 G CA 0.136 45.255 45.100 0.033 0.000 1.033 269 G HN 0.284 nan 8.290 nan 0.000 0.571 270 T N -2.550 112.030 114.554 0.044 0.000 3.057 270 T HA 0.179 4.530 4.350 0.001 0.000 0.254 270 T C 1.514 176.258 174.700 0.074 0.000 1.094 270 T CA 0.797 62.932 62.100 0.059 0.000 1.088 270 T CB -0.087 68.808 68.868 0.046 0.000 0.934 270 T HN 0.494 nan 8.240 nan 0.000 0.497 271 S N 1.348 117.073 115.700 0.042 0.000 2.566 271 S HA 0.152 4.622 4.470 0.001 0.000 0.280 271 S C 0.939 175.545 174.600 0.010 0.000 1.343 271 S CA -0.550 57.645 58.200 -0.010 0.000 1.036 271 S CB -0.071 63.054 63.200 -0.124 0.000 0.866 271 S HN 0.477 nan 8.310 nan 0.000 0.526 272 F N 3.121 123.100 119.950 0.048 0.000 2.502 272 F HA 0.171 4.699 4.527 0.001 0.000 0.298 272 F C 1.350 177.181 175.800 0.052 0.000 1.111 272 F CA 0.453 58.482 58.000 0.048 0.000 1.445 272 F CB -0.511 38.511 39.000 0.035 0.000 1.081 272 F HN 0.447 nan 8.300 nan 0.000 0.558 273 L N 0.566 121.416 121.223 -0.621 0.000 2.093 273 L HA -0.152 4.189 4.340 0.001 0.000 0.208 273 L C 1.986 178.797 176.870 -0.098 0.000 1.085 273 L CA 1.250 55.851 54.840 -0.399 0.000 0.755 273 L CB -0.693 41.094 42.059 -0.453 0.000 0.904 273 L HN 0.112 nan 8.230 nan 0.000 0.435 274 D N -0.151 120.224 120.400 -0.041 0.000 2.183 274 D HA -0.164 4.477 4.640 0.001 0.000 0.203 274 D C 2.075 178.439 176.300 0.106 0.000 0.969 274 D CA 0.809 54.841 54.000 0.054 0.000 0.842 274 D CB 0.051 40.916 40.800 0.109 0.000 0.957 274 D HN 0.237 nan 8.370 nan 0.000 0.484 275 K N 0.862 121.337 120.400 0.125 0.000 2.057 275 K HA -0.169 4.151 4.320 0.001 0.000 0.207 275 K C 1.929 178.628 176.600 0.165 0.000 1.049 275 K CA 1.098 57.483 56.287 0.163 0.000 0.931 275 K CB 0.124 32.733 32.500 0.181 0.000 0.714 275 K HN 0.121 nan 8.250 nan 0.000 0.440 276 Q N -0.245 119.645 119.800 0.150 0.000 2.079 276 Q HA -0.108 4.232 4.340 0.001 0.000 0.200 276 Q C 2.134 178.211 176.000 0.127 0.000 0.974 276 Q CA 1.425 57.313 55.803 0.141 0.000 0.840 276 Q CB -0.138 28.681 28.738 0.135 0.000 0.898 276 Q HN 0.405 nan 8.270 nan 0.000 0.430 277 A N 1.389 124.269 122.820 0.099 0.000 1.902 277 A HA -0.271 4.049 4.320 0.001 0.000 0.217 277 A C 1.978 179.628 177.584 0.110 0.000 1.181 277 A CA 1.650 53.740 52.037 0.088 0.000 0.623 277 A CB -0.590 18.442 19.000 0.053 0.000 0.818 277 A HN 0.463 nan 8.150 nan 0.000 0.443 278 E N 0.022 120.304 120.200 0.137 0.000 2.058 278 E HA -0.271 4.080 4.350 0.001 0.000 0.194 278 E C 1.872 178.637 176.600 0.275 0.000 0.997 278 E CA 1.660 58.156 56.400 0.160 0.000 0.801 278 E CB -0.201 29.637 29.700 0.230 0.000 0.746 278 E HN 0.751 nan 8.360 nan 0.000 0.450 279 E N 0.021 120.404 120.200 0.304 0.000 2.077 279 E HA -0.168 4.183 4.350 0.001 0.000 0.193 279 E C 2.322 179.091 176.600 0.281 0.000 0.989 279 E CA 0.979 57.582 56.400 0.338 0.000 0.800 279 E CB -0.038 29.796 29.700 0.222 0.000 0.746 279 E HN 0.215 nan 8.360 nan 0.000 0.452 280 R N 0.279 120.899 120.500 0.200 0.000 2.120 280 R HA -0.048 4.293 4.340 0.001 0.000 0.234 280 R C 2.435 178.828 176.300 0.155 0.000 1.123 280 R CA 1.058 57.258 56.100 0.167 0.000 0.975 280 R CB -0.094 30.291 30.300 0.141 0.000 0.866 280 R HN 0.036 nan 8.270 nan 0.000 0.446 281 S N 0.062 115.841 115.700 0.131 0.000 2.345 281 S HA -0.127 4.344 4.470 0.001 0.000 0.219 281 S C 1.493 176.163 174.600 0.116 0.000 1.031 281 S CA 0.986 59.222 58.200 0.060 0.000 0.984 281 S CB -0.275 62.893 63.200 -0.053 0.000 0.874 281 S HN 0.414 nan 8.310 nan 0.000 0.451 282 W N 2.180 123.555 121.300 0.125 0.000 2.318 282 W HA -0.148 4.512 4.660 0.001 0.000 0.313 282 W C 2.159 178.762 176.519 0.141 0.000 1.221 282 W CA 0.877 58.305 57.345 0.139 0.000 1.266 282 W CB -0.531 29.015 29.460 0.143 0.000 1.150 282 W HN 0.237 nan 8.180 nan 0.000 0.496 283 D N 0.015 120.641 120.400 0.377 0.000 2.092 283 D HA -0.216 4.424 4.640 0.001 0.000 0.193 283 D C 2.015 178.445 176.300 0.217 0.000 0.994 283 D CA 1.508 55.668 54.000 0.267 0.000 0.828 283 D CB -0.658 40.270 40.800 0.215 0.000 0.963 283 D HN 0.132 nan 8.370 nan 0.000 0.450 284 I N 0.062 120.736 120.570 0.172 0.000 2.761 284 I HA -0.155 4.016 4.170 0.001 0.000 0.261 284 I C 1.871 178.157 176.117 0.281 0.000 1.198 284 I CA 0.687 62.065 61.300 0.129 0.000 1.482 284 I CB 0.093 38.116 38.000 0.038 0.000 1.100 284 I HN 0.013 nan 8.210 nan 0.000 0.445 285 N N 0.154 119.012 118.700 0.263 0.000 2.240 285 N HA -0.094 4.646 4.740 0.001 0.000 0.187 285 N C 1.988 177.687 175.510 0.315 0.000 1.042 285 N CA 0.484 53.705 53.050 0.284 0.000 0.861 285 N CB 0.161 38.754 38.487 0.177 0.000 1.026 285 N HN 0.251 nan 8.380 nan 0.000 0.441 286 L N 0.339 121.729 121.223 0.277 0.000 2.130 286 L HA 0.158 4.498 4.340 0.001 0.000 0.200 286 L C 2.448 179.330 176.870 0.020 0.000 1.075 286 L CA 1.165 56.096 54.840 0.152 0.000 0.768 286 L CB -0.792 41.400 42.059 0.221 0.000 0.933 286 L HN 0.321 nan 8.230 nan 0.000 0.451 287 G N -0.301 108.570 108.800 0.119 0.000 2.469 287 G HA2 -0.355 3.606 3.960 0.001 0.000 0.220 287 G HA3 -0.355 3.606 3.960 0.001 0.000 0.220 287 G C 1.263 176.245 174.900 0.137 0.000 1.136 287 G CA 0.683 45.829 45.100 0.077 0.000 0.759 287 G HN 0.546 nan 8.290 nan 0.000 0.562 288 W N 1.135 122.423 121.300 -0.021 0.000 2.277 288 W HA -0.182 4.479 4.660 0.001 0.000 0.327 288 W C 1.926 178.241 176.519 -0.340 0.000 1.284 288 W CA 1.743 59.008 57.345 -0.133 0.000 1.277 288 W CB -0.866 28.475 29.460 -0.197 0.000 1.141 288 W HN 0.261 nan 8.180 nan 0.000 0.482 289 F N -1.686 118.360 119.950 0.160 0.000 2.559 289 F HA 0.044 4.572 4.527 0.001 0.000 0.286 289 F C 1.997 177.702 175.800 -0.159 0.000 1.108 289 F CA 0.536 58.538 58.000 0.003 0.000 1.436 289 F CB -1.360 37.658 39.000 0.029 0.000 1.130 289 F HN -0.221 nan 8.300 nan 0.000 0.584 290 L N 0.834 121.800 121.223 -0.427 0.000 1.994 290 L HA -0.146 4.194 4.340 0.001 0.000 0.208 290 L C 2.230 178.867 176.870 -0.389 0.000 1.071 290 L CA 2.001 56.403 54.840 -0.729 0.000 0.745 290 L CB -0.857 40.548 42.059 -1.089 0.000 0.892 290 L HN 0.180 nan 8.230 nan 0.000 0.431 291 E N -0.359 119.673 120.200 -0.280 0.000 2.085 291 E HA -0.183 4.167 4.350 0.001 0.000 0.194 291 E C -0.753 175.805 176.600 -0.069 0.000 0.994 291 E CA 1.744 58.077 56.400 -0.111 0.000 0.801 291 E CB -0.675 29.057 29.700 0.053 0.000 0.743 291 E HN 0.471 nan 8.360 nan 0.000 0.453 292 P HA -0.113 nan 4.420 nan 0.000 0.221 292 P C 1.468 178.694 177.300 -0.123 0.000 1.150 292 P CA 1.308 64.276 63.100 -0.219 0.000 0.800 292 P CB -0.103 31.337 31.700 -0.433 0.000 0.787 293 V N -2.779 117.128 119.914 -0.011 0.000 3.041 293 V HA -0.014 4.106 4.120 0.001 0.000 0.260 293 V C 2.194 178.459 176.094 0.286 0.000 1.105 293 V CA 1.105 63.497 62.300 0.154 0.000 1.125 293 V CB -0.910 31.038 31.823 0.209 0.000 0.730 293 V HN 0.010 nan 8.190 nan 0.000 0.479 294 V N 1.677 121.692 119.914 0.168 0.000 2.672 294 V HA 0.168 4.289 4.120 0.001 0.000 0.242 294 V C 2.495 178.681 176.094 0.153 0.000 1.059 294 V CA 1.575 64.028 62.300 0.256 0.000 1.081 294 V CB 0.190 32.123 31.823 0.184 0.000 0.752 294 V HN 0.724 nan 8.190 nan 0.000 0.472 295 R N -0.349 120.203 120.500 0.086 0.000 2.446 295 R HA 0.402 4.742 4.340 0.001 0.000 0.254 295 R C 1.359 177.660 176.300 0.000 0.000 0.918 295 R CA 0.807 56.943 56.100 0.061 0.000 1.069 295 R CB 0.591 30.946 30.300 0.092 0.000 1.194 295 R HN 0.709 nan 8.270 nan 0.000 0.534 296 G N 0.865 109.620 108.800 -0.075 0.000 2.132 296 G HA2 -0.233 3.727 3.960 0.001 0.000 0.228 296 G HA3 -0.233 3.727 3.960 0.001 0.000 0.228 296 G C -0.641 174.119 174.900 -0.233 0.000 1.000 296 G CA 0.346 45.331 45.100 -0.191 0.000 0.693 296 G HN 0.553 nan 8.290 nan 0.000 0.515 297 D N -2.014 118.289 120.400 -0.162 0.000 2.671 297 D HA 0.513 5.154 4.640 0.001 0.000 0.273 297 D C -0.408 175.866 176.300 -0.044 0.000 1.264 297 D CA -0.629 53.355 54.000 -0.027 0.000 0.788 297 D CB 0.467 41.346 40.800 0.131 0.000 1.324 297 D HN -0.044 nan 8.370 nan 0.000 0.424 298 Y N 0.093 120.502 120.300 0.181 0.000 2.295 298 Y HA 0.409 4.959 4.550 0.001 0.000 0.331 298 Y C -1.463 174.480 175.900 0.071 0.000 1.311 298 Y CA -1.358 56.801 58.100 0.098 0.000 1.430 298 Y CB -0.000 38.470 38.460 0.017 0.000 1.339 298 Y HN 0.093 nan 8.280 nan 0.000 0.552 299 P HA -0.026 nan 4.420 nan 0.000 0.269 299 P C 0.307 177.712 177.300 0.175 0.000 1.209 299 P CA 0.143 63.369 63.100 0.210 0.000 0.776 299 P CB 0.429 32.244 31.700 0.192 0.000 0.876 300 F N 2.704 122.703 119.950 0.081 0.000 2.069 300 F HA -0.288 4.239 4.527 0.001 0.000 0.298 300 F C 2.378 178.192 175.800 0.023 0.000 1.113 300 F CA 2.663 60.695 58.000 0.052 0.000 1.214 300 F CB -0.785 38.246 39.000 0.051 0.000 0.978 300 F HN 0.342 nan 8.300 nan 0.000 0.474 301 S N 0.567 116.441 115.700 0.290 0.000 2.380 301 S HA -0.360 4.111 4.470 0.001 0.000 0.229 301 S C 2.030 176.627 174.600 -0.005 0.000 1.043 301 S CA 1.992 60.293 58.200 0.167 0.000 1.038 301 S CB -0.985 62.315 63.200 0.167 0.000 0.872 301 S HN 0.555 nan 8.310 nan 0.000 0.456 302 M N 0.787 120.353 119.600 -0.056 0.000 2.132 302 M HA 0.038 4.519 4.480 0.001 0.000 0.263 302 M C 2.794 178.911 176.300 -0.304 0.000 1.065 302 M CA 1.298 56.479 55.300 -0.197 0.000 1.122 302 M CB -0.377 32.068 32.600 -0.259 0.000 1.365 302 M HN 0.271 nan 8.290 nan 0.000 0.411 303 R N 0.200 120.519 120.500 -0.302 0.000 2.148 303 R HA -0.092 4.249 4.340 0.001 0.000 0.227 303 R C 2.429 178.507 176.300 -0.369 0.000 1.103 303 R CA 1.761 57.637 56.100 -0.373 0.000 0.983 303 R CB -0.266 29.829 30.300 -0.342 0.000 0.874 303 R HN 0.462 nan 8.270 nan 0.000 0.451 304 S N -0.349 115.119 115.700 -0.387 0.000 2.470 304 S HA 0.022 4.492 4.470 0.001 0.000 0.225 304 S C 1.817 176.319 174.600 -0.163 0.000 1.006 304 S CA 0.440 58.460 58.200 -0.300 0.000 0.934 304 S CB 0.056 63.108 63.200 -0.247 0.000 0.778 304 S HN 0.192 nan 8.310 nan 0.000 0.517 305 L N 0.289 121.426 121.223 -0.144 0.000 2.362 305 L HA 0.447 4.788 4.340 0.001 0.000 0.204 305 L C 2.813 179.622 176.870 -0.102 0.000 1.060 305 L CA 0.754 55.555 54.840 -0.066 0.000 0.827 305 L CB -0.392 41.691 42.059 0.040 0.000 1.027 305 L HN 0.380 nan 8.230 nan 0.000 0.474 306 A N -0.515 122.164 122.820 -0.235 0.000 2.169 306 A HA 0.014 4.334 4.320 0.001 0.000 0.212 306 A C 1.336 178.726 177.584 -0.324 0.000 1.153 306 A CA 0.242 52.070 52.037 -0.348 0.000 0.756 306 A CB -0.141 18.433 19.000 -0.709 0.000 0.813 306 A HN 0.302 nan 8.150 nan 0.000 0.471 307 R N -0.311 120.025 120.500 -0.274 0.000 3.682 307 R HA -0.258 4.082 4.340 0.001 0.000 0.519 307 R C 1.503 177.667 176.300 -0.226 0.000 0.241 307 R CA 2.108 58.085 56.100 -0.204 0.000 1.619 307 R CB -0.957 29.272 30.300 -0.117 0.000 0.923 307 R HN 0.607 nan 8.270 nan 0.000 0.598 308 E N 1.964 122.089 120.200 -0.125 0.000 2.401 308 E HA -0.177 4.174 4.350 0.001 0.000 0.199 308 E C 1.282 177.779 176.600 -0.171 0.000 1.023 308 E CA 1.505 57.854 56.400 -0.084 0.000 0.859 308 E CB -0.221 29.465 29.700 -0.023 0.000 0.780 308 E HN 0.506 nan 8.360 nan 0.000 0.523 309 R N 0.001 120.351 120.500 -0.250 0.000 2.307 309 R HA 0.123 4.463 4.340 0.001 0.000 0.199 309 R C 0.142 176.153 176.300 -0.482 0.000 1.000 309 R CA -0.010 55.923 56.100 -0.278 0.000 1.023 309 R CB 0.025 30.188 30.300 -0.228 0.000 0.908 309 R HN 0.050 nan 8.270 nan 0.000 0.473 310 L N 1.725 122.573 121.223 -0.624 0.000 2.295 310 L HA 0.405 4.746 4.340 0.001 0.000 0.281 310 L C -2.490 173.963 176.870 -0.695 0.000 1.018 310 L CA -2.713 51.651 54.840 -0.794 0.000 0.841 310 L CB 1.258 42.720 42.059 -0.996 0.000 1.218 310 L HN -0.218 nan 8.230 nan 0.000 0.424 311 P HA 0.074 nan 4.420 nan 0.000 0.270 311 P C -1.126 175.781 177.300 -0.655 0.000 1.221 311 P CA 0.384 63.110 63.100 -0.623 0.000 0.788 311 P CB 0.331 31.396 31.700 -1.058 0.000 0.904 312 F N -0.097 119.647 119.950 -0.344 0.000 2.483 312 F HA 0.503 5.030 4.527 0.001 0.000 0.329 312 F C 0.283 175.978 175.800 -0.174 0.000 1.064 312 F CA -0.219 57.680 58.000 -0.167 0.000 0.986 312 F CB 0.704 39.664 39.000 -0.066 0.000 1.218 312 F HN 0.124 nan 8.300 nan 0.000 0.484 313 F N 1.263 121.428 119.950 0.359 0.000 2.421 313 F HA 0.447 4.974 4.527 0.001 0.000 0.337 313 F C 0.364 176.267 175.800 0.172 0.000 1.105 313 F CA -1.078 57.067 58.000 0.242 0.000 1.049 313 F CB 1.109 40.184 39.000 0.126 0.000 1.139 313 F HN 0.266 nan 8.300 nan 0.000 0.479 314 K N 1.145 121.737 120.400 0.319 0.000 2.187 314 K HA 0.037 4.357 4.320 0.001 0.000 0.247 314 K C 0.213 176.919 176.600 0.176 0.000 1.019 314 K CA -0.282 56.121 56.287 0.194 0.000 0.893 314 K CB 0.467 33.055 32.500 0.146 0.000 1.025 314 K HN 0.551 nan 8.250 nan 0.000 0.500 315 D N 1.289 121.759 120.400 0.117 0.000 2.144 315 D HA -0.162 4.478 4.640 0.001 0.000 0.200 315 D C 1.720 178.061 176.300 0.069 0.000 0.978 315 D CA 1.467 55.520 54.000 0.089 0.000 0.833 315 D CB 0.093 40.931 40.800 0.064 0.000 0.961 315 D HN 0.637 nan 8.370 nan 0.000 0.470 316 E N 0.668 120.909 120.200 0.069 0.000 2.153 316 E HA -0.235 4.116 4.350 0.001 0.000 0.194 316 E C 1.739 178.370 176.600 0.051 0.000 0.988 316 E CA 1.222 57.654 56.400 0.054 0.000 0.811 316 E CB -0.435 29.298 29.700 0.056 0.000 0.746 316 E HN 0.348 nan 8.360 nan 0.000 0.466 317 Q N 0.638 120.487 119.800 0.081 0.000 2.123 317 Q HA -0.031 4.309 4.340 0.001 0.000 0.199 317 Q C 2.137 178.106 176.000 -0.052 0.000 0.966 317 Q CA 1.235 57.074 55.803 0.060 0.000 0.845 317 Q CB -0.124 28.732 28.738 0.195 0.000 0.907 317 Q HN 0.269 nan 8.270 nan 0.000 0.439 318 K N 1.015 121.402 120.400 -0.021 0.000 2.103 318 K HA -0.180 4.140 4.320 0.001 0.000 0.207 318 K C 1.952 178.511 176.600 -0.068 0.000 1.048 318 K CA 1.305 57.541 56.287 -0.084 0.000 0.930 318 K CB 0.025 32.531 32.500 0.010 0.000 0.716 318 K HN 0.273 nan 8.250 nan 0.000 0.444 319 E N 0.759 120.944 120.200 -0.025 0.000 2.028 319 E HA -0.177 4.174 4.350 0.001 0.000 0.191 319 E C 1.985 178.566 176.600 -0.031 0.000 0.988 319 E CA 1.152 57.540 56.400 -0.019 0.000 0.799 319 E CB 0.014 29.712 29.700 -0.003 0.000 0.755 319 E HN 0.221 nan 8.360 nan 0.000 0.447 320 K N 0.650 121.032 120.400 -0.030 0.000 2.063 320 K HA -0.152 4.168 4.320 0.001 0.000 0.208 320 K C 2.257 178.830 176.600 -0.044 0.000 1.048 320 K CA 0.944 57.213 56.287 -0.031 0.000 0.928 320 K CB -0.133 32.358 32.500 -0.015 0.000 0.713 320 K HN 0.097 nan 8.250 nan 0.000 0.442 321 L N 0.947 122.120 121.223 -0.083 0.000 1.988 321 L HA -0.074 4.266 4.340 0.001 0.000 0.207 321 L C 0.943 177.807 176.870 -0.011 0.000 1.071 321 L CA 0.217 55.008 54.840 -0.081 0.000 0.744 321 L CB -0.438 41.454 42.059 -0.278 0.000 0.893 321 L HN 0.113 nan 8.230 nan 0.000 0.433 322 A N 0.330 123.128 122.820 -0.038 0.000 2.561 322 A HA 0.288 4.608 4.320 0.001 0.000 0.251 322 A C 1.309 178.900 177.584 0.012 0.000 1.062 322 A CA 0.610 52.653 52.037 0.010 0.000 0.761 322 A CB -0.692 18.306 19.000 -0.004 0.000 0.986 322 A HN 0.715 nan 8.150 nan 0.000 0.510 323 G N 2.063 110.889 108.800 0.044 0.000 2.198 323 G HA2 -0.199 3.762 3.960 0.001 0.000 0.260 323 G HA3 -0.199 3.762 3.960 0.001 0.000 0.260 323 G C 0.538 175.279 174.900 -0.265 0.000 1.025 323 G CA 0.815 45.812 45.100 -0.172 0.000 0.769 323 G HN 2.228 nan 8.290 nan 0.000 0.507 324 S N -0.172 115.538 115.700 0.016 0.000 3.983 324 S HA 0.619 5.089 4.470 0.001 0.000 0.194 324 S C -0.009 174.757 174.600 0.277 0.000 1.464 324 S CA 0.240 58.492 58.200 0.086 0.000 1.021 324 S CB -0.625 62.642 63.200 0.112 0.000 1.424 324 S HN 1.856 nan 8.310 nan 0.000 0.473 325 Y N -2.249 118.126 120.300 0.125 0.000 2.717 325 Y HA 0.507 5.058 4.550 0.001 0.000 0.345 325 Y C -0.599 175.362 175.900 0.103 0.000 1.187 325 Y CA -1.387 56.792 58.100 0.132 0.000 1.128 325 Y CB -0.056 38.505 38.460 0.168 0.000 1.360 325 Y HN 0.064 nan 8.280 nan 0.000 0.467 326 N N 1.082 119.922 118.700 0.232 0.000 2.166 326 N HA 0.325 5.065 4.740 0.001 0.000 0.213 326 N C -0.707 174.970 175.510 0.279 0.000 1.222 326 N CA 0.368 53.517 53.050 0.164 0.000 0.900 326 N CB 1.042 39.600 38.487 0.118 0.000 1.055 326 N HN 0.706 nan 8.380 nan 0.000 0.515 327 M N -1.314 118.511 119.600 0.374 0.000 2.732 327 M HA 0.509 4.989 4.480 0.001 0.000 0.272 327 M C -2.285 174.167 176.300 0.252 0.000 1.203 327 M CA -0.947 54.547 55.300 0.324 0.000 0.841 327 M CB 1.876 34.677 32.600 0.335 0.000 1.685 327 M HN -0.310 nan 8.290 nan 0.000 0.492 328 L N 1.260 122.592 121.223 0.182 0.000 2.408 328 L HA 0.901 5.242 4.340 0.001 0.000 0.268 328 L C -0.142 176.803 176.870 0.124 0.000 0.986 328 L CA 0.029 54.912 54.840 0.071 0.000 0.820 328 L CB 2.239 44.314 42.059 0.026 0.000 1.303 328 L HN 0.968 nan 8.230 nan 0.000 0.411 329 G N 2.739 111.549 108.800 0.016 0.000 2.389 329 G HA2 0.611 4.572 3.960 0.001 0.000 0.317 329 G HA3 0.611 4.572 3.960 0.001 0.000 0.317 329 G C -1.573 173.372 174.900 0.075 0.000 1.137 329 G CA -0.267 44.863 45.100 0.050 0.000 0.870 329 G HN 0.329 nan 8.290 nan 0.000 0.496 330 L N 1.822 123.131 121.223 0.144 0.000 2.406 330 L HA 0.417 4.758 4.340 0.001 0.000 0.272 330 L C -0.957 176.024 176.870 0.185 0.000 0.980 330 L CA -1.196 53.769 54.840 0.210 0.000 0.831 330 L CB 1.849 44.055 42.059 0.245 0.000 1.253 330 L HN 0.374 nan 8.230 nan 0.000 0.406 331 N N 3.550 122.362 118.700 0.187 0.000 2.485 331 N HA 0.239 4.979 4.740 0.001 0.000 0.243 331 N C -1.339 174.326 175.510 0.258 0.000 0.987 331 N CA -0.189 52.953 53.050 0.152 0.000 0.940 331 N CB 0.807 39.375 38.487 0.135 0.000 1.122 331 N HN 0.391 nan 8.380 nan 0.000 0.509 332 Y N 2.157 122.484 120.300 0.045 0.000 2.335 332 Y HA 0.325 4.875 4.550 0.001 0.000 0.338 332 Y C -0.427 175.468 175.900 -0.010 0.000 0.977 332 Y CA -0.454 57.736 58.100 0.149 0.000 1.114 332 Y CB 0.726 39.316 38.460 0.216 0.000 1.182 332 Y HN 0.480 nan 8.280 nan 0.000 0.463 333 Y N 1.450 121.478 120.300 -0.452 0.000 2.723 333 Y HA 0.215 4.766 4.550 0.001 0.000 0.272 333 Y C 0.892 176.643 175.900 -0.248 0.000 1.142 333 Y CA 0.655 58.662 58.100 -0.155 0.000 1.217 333 Y CB 0.756 39.288 38.460 0.119 0.000 1.391 333 Y HN 0.595 nan 8.280 nan 0.000 0.479 334 T N -3.379 111.045 114.554 -0.215 0.000 2.626 334 T HA 0.735 5.085 4.350 0.001 0.000 0.299 334 T C -0.519 174.248 174.700 0.112 0.000 1.181 334 T CA -0.750 61.385 62.100 0.057 0.000 1.053 334 T CB 2.140 71.174 68.868 0.277 0.000 1.566 334 T HN -0.135 nan 8.240 nan 0.000 0.486 335 S N -0.709 115.103 115.700 0.186 0.000 2.685 335 S HA 0.893 5.364 4.470 0.001 0.000 0.282 335 S C -1.350 173.178 174.600 -0.119 0.000 1.159 335 S CA -1.020 57.211 58.200 0.052 0.000 0.833 335 S CB 1.723 64.943 63.200 0.033 0.000 1.151 335 S HN 0.742 nan 8.310 nan 0.000 0.485 336 R N 0.033 120.390 120.500 -0.238 0.000 2.739 336 R HA 0.459 4.799 4.340 0.001 0.000 0.271 336 R C -1.869 174.246 176.300 -0.308 0.000 1.010 336 R CA -0.612 55.355 56.100 -0.223 0.000 0.897 336 R CB 0.813 31.077 30.300 -0.061 0.000 1.236 336 R HN 0.556 nan 8.270 nan 0.000 0.466 337 F N 0.501 120.418 119.950 -0.056 0.000 2.411 337 F HA 0.291 4.818 4.527 0.001 0.000 0.350 337 F C 0.765 176.594 175.800 0.048 0.000 1.114 337 F CA 0.070 58.077 58.000 0.012 0.000 1.135 337 F CB 1.396 40.453 39.000 0.095 0.000 1.120 337 F HN 0.124 nan 8.300 nan 0.000 0.495 338 S N 3.695 119.519 115.700 0.206 0.000 2.438 338 S HA 0.328 4.799 4.470 0.001 0.000 0.293 338 S C -0.328 174.358 174.600 0.143 0.000 1.141 338 S CA -0.872 57.397 58.200 0.114 0.000 1.080 338 S CB 0.898 64.126 63.200 0.046 0.000 0.978 338 S HN 0.506 nan 8.310 nan 0.000 0.479 339 K N 2.895 123.313 120.400 0.030 0.000 2.274 339 K HA 0.281 4.601 4.320 0.001 0.000 0.262 339 K C -0.314 176.226 176.600 -0.100 0.000 0.961 339 K CA -0.682 55.549 56.287 -0.093 0.000 0.833 339 K CB 0.717 32.983 32.500 -0.389 0.000 1.102 339 K HN 0.567 nan 8.250 nan 0.000 0.436 340 N N 3.574 122.224 118.700 -0.083 0.000 2.454 340 N HA 0.065 4.805 4.740 0.001 0.000 0.254 340 N C -1.023 174.415 175.510 -0.121 0.000 1.228 340 N CA 0.295 53.298 53.050 -0.078 0.000 0.900 340 N CB 0.376 38.814 38.487 -0.082 0.000 1.089 340 N HN 0.476 nan 8.380 nan 0.000 0.449 341 I N 2.194 122.707 120.570 -0.096 0.000 2.476 341 I HA 0.178 4.348 4.170 0.001 0.000 0.281 341 I C -0.485 175.614 176.117 -0.031 0.000 1.040 341 I CA -0.872 60.332 61.300 -0.160 0.000 1.094 341 I CB 1.353 39.135 38.000 -0.363 0.000 1.219 341 I HN 0.487 nan 8.210 nan 0.000 0.450 342 D N 5.935 126.300 120.400 -0.058 0.000 2.368 342 D HA 0.284 4.924 4.640 0.001 0.000 0.240 342 D C 0.186 176.493 176.300 0.012 0.000 1.169 342 D CA 0.304 54.284 54.000 -0.034 0.000 0.906 342 D CB 1.551 42.326 40.800 -0.042 0.000 1.187 342 D HN 0.304 nan 8.370 nan 0.000 0.435 343 I N 1.084 121.606 120.570 -0.080 0.000 2.395 343 I HA 0.109 4.279 4.170 0.001 0.000 0.289 343 I C 0.799 176.924 176.117 0.012 0.000 1.023 343 I CA 0.164 61.409 61.300 -0.092 0.000 1.350 343 I CB 0.788 38.631 38.000 -0.262 0.000 1.409 343 I HN 0.306 nan 8.210 nan 0.000 0.507 344 S N 6.390 122.144 115.700 0.091 0.000 2.672 344 S HA 0.495 4.965 4.470 0.001 0.000 0.271 344 S C -2.349 172.306 174.600 0.091 0.000 1.171 344 S CA -0.794 57.449 58.200 0.072 0.000 0.817 344 S CB 1.753 64.995 63.200 0.070 0.000 1.150 344 S HN 0.465 nan 8.310 nan 0.000 0.478 345 P HA 0.179 nan 4.420 nan 0.000 0.245 345 P C 0.206 177.539 177.300 0.056 0.000 1.206 345 P CA 0.496 63.626 63.100 0.050 0.000 0.781 345 P CB -0.240 31.477 31.700 0.029 0.000 0.994 346 N N 0.210 118.957 118.700 0.078 0.000 2.143 346 N HA -0.087 4.653 4.740 0.001 0.000 0.190 346 N C 0.475 176.046 175.510 0.101 0.000 1.058 346 N CA 0.413 53.509 53.050 0.078 0.000 0.860 346 N CB -1.478 37.061 38.487 0.087 0.000 1.044 346 N HN 0.066 nan 8.380 nan 0.000 0.445 347 Y N 1.361 121.675 120.300 0.025 0.000 2.810 347 Y HA 0.004 4.555 4.550 0.001 0.000 0.332 347 Y C -0.513 175.401 175.900 0.023 0.000 1.243 347 Y CA 0.161 58.272 58.100 0.019 0.000 1.537 347 Y CB 0.178 38.664 38.460 0.043 0.000 1.265 347 Y HN -0.008 nan 8.280 nan 0.000 0.572 348 S N 7.862 123.192 115.700 -0.616 0.000 2.672 348 S HA 0.376 4.846 4.470 0.001 0.000 0.291 348 S C -2.651 171.533 174.600 -0.694 0.000 1.145 348 S CA -1.237 56.698 58.200 -0.443 0.000 1.013 348 S CB 1.637 64.696 63.200 -0.234 0.000 1.017 348 S HN 0.493 nan 8.310 nan 0.000 0.487 349 P HA 0.161 nan 4.420 nan 0.000 0.266 349 P C 0.157 177.296 177.300 -0.269 0.000 1.195 349 P CA -0.199 62.670 63.100 -0.384 0.000 0.768 349 P CB 0.638 32.213 31.700 -0.207 0.000 0.838 350 V N 2.076 121.857 119.914 -0.222 0.000 2.911 350 V HA 0.119 4.239 4.120 0.001 0.000 0.237 350 V C 0.848 176.873 176.094 -0.116 0.000 1.156 350 V CA 0.674 62.878 62.300 -0.159 0.000 1.180 350 V CB -0.253 31.479 31.823 -0.152 0.000 0.932 350 V HN 0.339 nan 8.190 nan 0.000 0.483 351 L N 1.714 122.871 121.223 -0.110 0.000 2.344 351 L HA 0.394 4.734 4.340 0.001 0.000 0.272 351 L C 1.515 178.330 176.870 -0.092 0.000 1.035 351 L CA -0.442 54.341 54.840 -0.095 0.000 0.807 351 L CB 1.033 43.040 42.059 -0.087 0.000 1.237 351 L HN 0.311 nan 8.230 nan 0.000 0.442 352 N N 0.079 118.710 118.700 -0.115 0.000 2.205 352 N HA -0.212 4.528 4.740 0.001 0.000 0.186 352 N C 1.278 176.708 175.510 -0.134 0.000 1.015 352 N CA 1.962 54.908 53.050 -0.173 0.000 0.862 352 N CB -0.764 37.434 38.487 -0.480 0.000 0.986 352 N HN 0.847 nan 8.380 nan 0.000 0.429 353 T N -2.272 112.226 114.554 -0.094 0.000 3.035 353 T HA -0.025 4.325 4.350 0.001 0.000 0.268 353 T C 1.052 175.723 174.700 -0.048 0.000 1.109 353 T CA 0.827 62.897 62.100 -0.050 0.000 1.119 353 T CB -0.108 68.760 68.868 0.001 0.000 0.900 353 T HN 0.036 nan 8.240 nan 0.000 0.503 354 D N 1.725 122.086 120.400 -0.066 0.000 2.347 354 D HA -0.027 4.614 4.640 0.001 0.000 0.215 354 D C 1.258 177.468 176.300 -0.150 0.000 0.976 354 D CA 0.437 54.389 54.000 -0.080 0.000 0.884 354 D CB -0.250 40.506 40.800 -0.074 0.000 0.915 354 D HN 0.396 nan 8.370 nan 0.000 0.526 355 D N 0.647 120.993 120.400 -0.089 0.000 2.384 355 D HA -0.064 4.577 4.640 0.001 0.000 0.222 355 D C 1.610 177.953 176.300 0.072 0.000 0.976 355 D CA 0.267 54.249 54.000 -0.030 0.000 0.915 355 D CB 0.106 40.907 40.800 0.001 0.000 0.896 355 D HN 0.153 nan 8.370 nan 0.000 0.523 356 A N -0.401 122.434 122.820 0.025 0.000 2.251 356 A HA -0.018 4.302 4.320 0.001 0.000 0.209 356 A C -0.000 177.684 177.584 0.168 0.000 1.187 356 A CA -0.278 51.819 52.037 0.100 0.000 0.823 356 A CB -0.559 18.473 19.000 0.053 0.000 0.846 356 A HN 0.206 nan 8.150 nan 0.000 0.486 357 Y N -1.803 118.503 120.300 0.010 0.000 3.037 357 Y HA -0.142 4.409 4.550 0.001 0.000 0.204 357 Y C 0.536 176.381 175.900 -0.091 0.000 1.275 357 Y CA 0.663 58.732 58.100 -0.051 0.000 1.066 357 Y CB -1.811 36.623 38.460 -0.044 0.000 1.305 357 Y HN 0.785 nan 8.280 nan 0.000 0.499 358 A N 0.120 122.908 122.820 -0.053 0.000 2.547 358 A HA 0.677 4.997 4.320 0.001 0.000 0.298 358 A C -0.184 177.361 177.584 -0.065 0.000 1.062 358 A CA -0.255 51.752 52.037 -0.049 0.000 0.748 358 A CB 0.646 19.650 19.000 0.007 0.000 1.288 358 A HN 0.704 nan 8.150 nan 0.000 0.396 359 S N 2.105 117.754 115.700 -0.085 0.000 2.554 359 S HA 0.588 5.058 4.470 0.001 0.000 0.278 359 S C -0.566 174.019 174.600 -0.025 0.000 1.242 359 S CA -0.592 57.569 58.200 -0.064 0.000 1.051 359 S CB 1.121 64.263 63.200 -0.097 0.000 0.986 359 S HN 0.562 nan 8.310 nan 0.000 0.502 360 Q N 2.646 122.446 119.800 0.000 0.000 2.456 360 Q HA 0.360 4.700 4.340 0.001 0.000 0.234 360 Q C -0.375 175.661 176.000 0.061 0.000 1.061 360 Q CA -0.181 55.639 55.803 0.029 0.000 0.896 360 Q CB 0.533 29.281 28.738 0.016 0.000 1.233 360 Q HN 0.672 nan 8.270 nan 0.000 0.506 361 E N 1.258 121.533 120.200 0.123 0.000 2.343 361 E HA 0.130 4.480 4.350 0.001 0.000 0.269 361 E C 0.765 177.482 176.600 0.196 0.000 1.047 361 E CA -0.393 56.101 56.400 0.156 0.000 0.874 361 E CB 1.803 31.637 29.700 0.223 0.000 1.033 361 E HN 0.123 nan 8.360 nan 0.000 0.409 362 V N 1.596 121.562 119.914 0.086 0.000 2.599 362 V HA -0.055 4.065 4.120 0.001 0.000 0.245 362 V C 0.440 176.566 176.094 0.053 0.000 1.046 362 V CA 0.827 63.092 62.300 -0.058 0.000 1.065 362 V CB -0.100 31.557 31.823 -0.277 0.000 0.703 362 V HN 0.464 nan 8.190 nan 0.000 0.464 363 N N 0.848 119.584 118.700 0.061 0.000 2.400 363 N HA 0.398 5.139 4.740 0.001 0.000 0.288 363 N C 0.288 175.642 175.510 -0.259 0.000 1.024 363 N CA 0.219 53.260 53.050 -0.015 0.000 0.894 363 N CB 1.872 40.345 38.487 -0.024 0.000 1.173 363 N HN 0.272 nan 8.380 nan 0.000 0.487 364 G N 1.527 109.920 108.800 -0.678 0.000 2.631 364 G HA2 0.081 4.041 3.960 0.001 0.000 0.271 364 G HA3 0.081 4.041 3.960 0.001 0.000 0.271 364 G C -1.204 173.224 174.900 -0.787 0.000 1.302 364 G CA -0.678 43.614 45.100 -1.347 0.000 1.002 364 G HN 0.362 nan 8.290 nan 0.000 0.519 365 P HA -0.040 nan 4.420 nan 0.000 0.230 365 P C 0.472 177.627 177.300 -0.241 0.000 1.158 365 P CA 1.130 63.932 63.100 -0.496 0.000 0.769 365 P CB 0.157 31.540 31.700 -0.529 0.000 0.807 366 D N -1.274 118.972 120.400 -0.256 0.000 2.325 366 D HA 0.113 4.753 4.640 0.001 0.000 0.225 366 D C 1.425 177.669 176.300 -0.093 0.000 1.096 366 D CA 0.095 54.014 54.000 -0.135 0.000 0.844 366 D CB -0.969 39.765 40.800 -0.110 0.000 0.925 366 D HN 0.187 nan 8.370 nan 0.000 0.513 367 G N 0.296 109.033 108.800 -0.105 0.000 2.189 367 G HA2 -0.335 3.625 3.960 0.001 0.000 0.267 367 G HA3 -0.335 3.625 3.960 0.001 0.000 0.267 367 G C 0.151 175.030 174.900 -0.035 0.000 0.975 367 G CA 0.487 45.556 45.100 -0.052 0.000 0.644 367 G HN 0.499 nan 8.290 nan 0.000 0.537 368 K N 1.373 121.741 120.400 -0.052 0.000 2.123 368 K HA 0.517 4.837 4.320 0.001 0.000 0.259 368 K C -2.305 174.311 176.600 0.027 0.000 0.960 368 K CA -2.010 54.279 56.287 0.003 0.000 0.872 368 K CB 2.089 34.603 32.500 0.023 0.000 1.079 368 K HN 0.057 nan 8.250 nan 0.000 0.440 369 P HA -0.003 nan 4.420 nan 0.000 0.272 369 P C 0.544 177.950 177.300 0.177 0.000 1.223 369 P CA -0.013 63.127 63.100 0.067 0.000 0.784 369 P CB 0.765 32.526 31.700 0.101 0.000 0.923 370 I N 0.536 121.218 120.570 0.186 0.000 2.335 370 I HA -0.073 4.097 4.170 0.001 0.000 0.251 370 I C 0.859 177.056 176.117 0.133 0.000 1.129 370 I CA 1.621 62.964 61.300 0.072 0.000 1.402 370 I CB -0.307 37.397 38.000 -0.493 0.000 1.069 370 I HN 0.539 nan 8.210 nan 0.000 0.424 371 G N -0.714 108.225 108.800 0.231 0.000 2.660 371 G HA2 0.463 4.423 3.960 0.001 0.000 0.290 371 G HA3 0.463 4.423 3.960 0.001 0.000 0.290 371 G C -3.068 172.058 174.900 0.376 0.000 1.432 371 G CA -0.926 44.377 45.100 0.338 0.000 0.807 371 G HN -0.205 nan 8.290 nan 0.000 0.485 372 P HA 0.200 nan 4.420 nan 0.000 0.265 372 P C -2.379 175.041 177.300 0.199 0.000 1.193 372 P CA -0.779 62.463 63.100 0.238 0.000 0.765 372 P CB 0.395 32.194 31.700 0.165 0.000 0.823 373 P HA 0.105 nan 4.420 nan 0.000 0.276 373 P C 0.218 177.390 177.300 -0.212 0.000 1.235 373 P CA 0.199 63.094 63.100 -0.342 0.000 0.772 373 P CB 0.562 32.123 31.700 -0.232 0.000 0.871 374 M N 1.817 121.242 119.600 -0.290 0.000 2.495 374 M HA 0.150 4.630 4.480 0.001 0.000 0.237 374 M C 1.407 177.572 176.300 -0.225 0.000 1.131 374 M CA 0.604 55.789 55.300 -0.192 0.000 1.032 374 M CB -0.841 31.639 32.600 -0.202 0.000 1.513 374 M HN 0.736 nan 8.290 nan 0.000 0.488 375 G N 1.177 109.830 108.800 -0.244 0.000 3.131 375 G HA2 -0.204 3.756 3.960 0.001 0.000 0.198 375 G HA3 -0.204 3.756 3.960 0.001 0.000 0.198 375 G C 0.259 175.054 174.900 -0.176 0.000 1.435 375 G CA -0.035 44.954 45.100 -0.184 0.000 1.016 375 G HN 0.546 nan 8.290 nan 0.000 0.499 376 N N 2.095 120.651 118.700 -0.240 0.000 2.366 376 N HA 0.487 5.227 4.740 0.001 0.000 0.277 376 N C -1.313 174.146 175.510 -0.086 0.000 1.275 376 N CA -0.648 52.313 53.050 -0.148 0.000 0.964 376 N CB 1.304 39.688 38.487 -0.172 0.000 1.167 376 N HN 0.205 nan 8.380 nan 0.000 0.568 377 P HA -0.054 nan 4.420 nan 0.000 0.242 377 P C 0.099 177.630 177.300 0.385 0.000 1.197 377 P CA 0.872 64.112 63.100 0.233 0.000 0.765 377 P CB -0.183 31.695 31.700 0.298 0.000 0.936 378 W N -1.806 119.569 121.300 0.126 0.000 1.686 378 W HA 0.337 4.997 4.660 0.001 0.000 0.209 378 W C -0.383 176.275 176.519 0.232 0.000 0.828 378 W CA -0.305 57.176 57.345 0.227 0.000 0.960 378 W CB -0.264 29.316 29.460 0.199 0.000 0.883 378 W HN -0.311 nan 8.180 nan 0.000 0.533 379 I N 2.833 123.044 120.570 -0.598 0.000 2.322 379 I HA 0.208 4.379 4.170 0.001 0.000 0.292 379 I C -1.151 174.778 176.117 -0.313 0.000 1.060 379 I CA -0.352 60.652 61.300 -0.493 0.000 1.309 379 I CB 0.158 37.738 38.000 -0.699 0.000 1.415 379 I HN -0.281 nan 8.210 nan 0.000 0.492 380 Y N 5.727 126.070 120.300 0.072 0.000 2.341 380 Y HA 0.361 4.911 4.550 0.001 0.000 0.338 380 Y C 0.378 176.434 175.900 0.259 0.000 0.965 380 Y CA -0.783 57.406 58.100 0.149 0.000 1.108 380 Y CB 1.840 40.382 38.460 0.136 0.000 1.180 380 Y HN 0.477 nan 8.280 nan 0.000 0.458 381 M N 4.787 124.627 119.600 0.401 0.000 2.251 381 M HA 0.092 4.572 4.480 0.001 0.000 0.346 381 M C -1.638 174.904 176.300 0.402 0.000 1.499 381 M CA 0.285 55.838 55.300 0.422 0.000 1.128 381 M CB 0.036 32.847 32.600 0.352 0.000 1.809 381 M HN 0.824 nan 8.290 nan 0.000 0.464 382 Y N 8.232 128.675 120.300 0.238 0.000 2.516 382 Y HA 0.339 4.889 4.550 0.001 0.000 0.329 382 Y C -2.178 173.824 175.900 0.169 0.000 1.095 382 Y CA -1.687 56.517 58.100 0.172 0.000 1.213 382 Y CB 0.700 39.272 38.460 0.187 0.000 1.109 382 Y HN 0.538 nan 8.280 nan 0.000 0.630 383 P HA -0.176 nan 4.420 nan 0.000 0.221 383 P C 1.148 178.241 177.300 -0.345 0.000 1.145 383 P CA 1.290 64.133 63.100 -0.429 0.000 0.795 383 P CB 0.603 31.857 31.700 -0.742 0.000 0.775 384 E N 0.367 120.237 120.200 -0.551 0.000 2.118 384 E HA -0.125 4.225 4.350 0.001 0.000 0.195 384 E C 2.299 178.756 176.600 -0.238 0.000 0.992 384 E CA 1.548 57.653 56.400 -0.492 0.000 0.804 384 E CB -1.074 28.151 29.700 -0.791 0.000 0.741 384 E HN 0.292 nan 8.360 nan 0.000 0.458 385 G N 1.361 110.114 108.800 -0.077 0.000 2.462 385 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 385 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 385 G C 1.484 176.354 174.900 -0.050 0.000 1.121 385 G CA 0.300 45.593 45.100 0.322 0.000 0.758 385 G HN 0.243 nan 8.290 nan 0.000 0.559 386 L N 0.198 121.144 121.223 -0.463 0.000 2.240 386 L HA 0.173 4.513 4.340 0.001 0.000 0.211 386 L C 2.443 179.196 176.870 -0.194 0.000 1.106 386 L CA 1.585 56.035 54.840 -0.651 0.000 0.793 386 L CB -0.419 41.272 42.059 -0.614 0.000 0.927 386 L HN 0.285 nan 8.230 nan 0.000 0.446 387 K N -0.194 120.135 120.400 -0.118 0.000 2.076 387 K HA -0.157 4.164 4.320 0.001 0.000 0.204 387 K C 1.558 178.153 176.600 -0.008 0.000 1.051 387 K CA 1.341 57.599 56.287 -0.049 0.000 0.949 387 K CB 0.092 32.557 32.500 -0.057 0.000 0.726 387 K HN 0.250 nan 8.250 nan 0.000 0.443 388 D N 1.340 121.765 120.400 0.042 0.000 2.123 388 D HA -0.201 4.440 4.640 0.001 0.000 0.196 388 D C 1.931 178.235 176.300 0.007 0.000 0.992 388 D CA 0.932 54.984 54.000 0.087 0.000 0.833 388 D CB -0.211 40.759 40.800 0.282 0.000 0.954 388 D HN 0.172 nan 8.370 nan 0.000 0.455 389 L N 0.869 122.145 121.223 0.089 0.000 2.017 389 L HA -0.119 4.222 4.340 0.001 0.000 0.208 389 L C 2.236 179.106 176.870 0.001 0.000 1.073 389 L CA 1.422 56.293 54.840 0.053 0.000 0.745 389 L CB -0.665 41.523 42.059 0.216 0.000 0.894 389 L HN 0.005 nan 8.230 nan 0.000 0.432 390 L N -1.284 119.949 121.223 0.017 0.000 2.191 390 L HA -0.205 4.135 4.340 0.001 0.000 0.212 390 L C 2.394 179.266 176.870 0.004 0.000 1.103 390 L CA 0.797 55.655 54.840 0.029 0.000 0.769 390 L CB -0.540 41.544 42.059 0.041 0.000 0.908 390 L HN 0.354 nan 8.230 nan 0.000 0.438 391 M N -0.832 118.752 119.600 -0.027 0.000 2.319 391 M HA -0.078 4.402 4.480 0.001 0.000 0.265 391 M C 2.228 178.480 176.300 -0.080 0.000 1.068 391 M CA 1.477 56.751 55.300 -0.043 0.000 1.118 391 M CB -0.555 32.018 32.600 -0.045 0.000 1.395 391 M HN 0.226 nan 8.290 nan 0.000 0.435 392 I N -0.505 119.986 120.570 -0.131 0.000 2.406 392 I HA -0.238 3.933 4.170 0.001 0.000 0.249 392 I C 2.216 178.309 176.117 -0.041 0.000 1.122 392 I CA 0.677 61.870 61.300 -0.179 0.000 1.431 392 I CB -0.200 37.582 38.000 -0.363 0.000 1.087 392 I HN 0.182 nan 8.210 nan 0.000 0.424 393 M N 0.530 120.153 119.600 0.038 0.000 2.229 393 M HA -0.191 4.289 4.480 0.001 0.000 0.264 393 M C 2.246 178.602 176.300 0.094 0.000 1.063 393 M CA 1.627 57.006 55.300 0.131 0.000 1.114 393 M CB -1.079 31.582 32.600 0.103 0.000 1.387 393 M HN 0.213 nan 8.290 nan 0.000 0.420 394 K N 0.290 120.712 120.400 0.037 0.000 2.044 394 K HA -0.070 4.250 4.320 0.001 0.000 0.204 394 K C 1.438 178.035 176.600 -0.004 0.000 1.049 394 K CA 1.305 57.608 56.287 0.026 0.000 0.945 394 K CB 0.062 32.571 32.500 0.016 0.000 0.724 394 K HN 0.402 nan 8.250 nan 0.000 0.440 395 N N -0.101 118.572 118.700 -0.044 0.000 2.395 395 N HA -0.055 4.686 4.740 0.001 0.000 0.175 395 N C 1.611 177.047 175.510 -0.124 0.000 1.029 395 N CA 0.490 53.497 53.050 -0.072 0.000 0.897 395 N CB 0.318 38.758 38.487 -0.079 0.000 0.991 395 N HN 0.134 nan 8.380 nan 0.000 0.441 396 K N -0.155 120.125 120.400 -0.201 0.000 2.350 396 K HA 0.084 4.405 4.320 0.001 0.000 0.196 396 K C -0.134 176.184 176.600 -0.470 0.000 1.084 396 K CA 0.314 56.361 56.287 -0.400 0.000 0.967 396 K CB 0.427 32.546 32.500 -0.636 0.000 0.950 396 K HN 0.051 nan 8.250 nan 0.000 0.512 397 Y N 0.421 120.712 120.300 -0.015 0.000 2.781 397 Y HA 0.317 4.868 4.550 0.001 0.000 0.326 397 Y C 0.776 176.707 175.900 0.052 0.000 1.019 397 Y CA -0.244 57.864 58.100 0.013 0.000 1.372 397 Y CB 0.933 39.388 38.460 -0.009 0.000 1.260 397 Y HN 0.345 nan 8.280 nan 0.000 0.546 398 G N 0.993 109.881 108.800 0.146 0.000 2.184 398 G HA2 -0.434 3.527 3.960 0.001 0.000 0.264 398 G HA3 -0.434 3.527 3.960 0.001 0.000 0.264 398 G C 0.656 175.632 174.900 0.127 0.000 0.975 398 G CA 0.340 45.522 45.100 0.137 0.000 0.642 398 G HN 0.567 nan 8.290 nan 0.000 0.536 399 N N -0.467 118.305 118.700 0.119 0.000 2.714 399 N HA -0.136 4.605 4.740 0.001 0.000 0.252 399 N C -1.037 174.543 175.510 0.116 0.000 1.014 399 N CA 1.371 54.480 53.050 0.099 0.000 0.735 399 N CB -0.501 38.026 38.487 0.066 0.000 0.924 399 N HN 0.643 nan 8.380 nan 0.000 0.540 400 P HA 0.253 nan 4.420 nan 0.000 0.274 400 P C -2.641 174.738 177.300 0.131 0.000 1.256 400 P CA -1.043 62.171 63.100 0.190 0.000 0.795 400 P CB 0.050 31.940 31.700 0.317 0.000 1.038 401 P HA 0.118 nan 4.420 nan 0.000 0.263 401 P C -0.328 176.974 177.300 0.004 0.000 1.195 401 P CA 0.810 63.934 63.100 0.041 0.000 0.762 401 P CB 0.078 31.827 31.700 0.081 0.000 0.799 402 I N 4.307 124.814 120.570 -0.106 0.000 2.530 402 I HA 0.345 4.516 4.170 0.001 0.000 0.297 402 I C -0.364 175.579 176.117 -0.289 0.000 1.011 402 I CA -0.775 60.482 61.300 -0.071 0.000 1.107 402 I CB 1.324 39.341 38.000 0.028 0.000 1.285 402 I HN 0.319 nan 8.210 nan 0.000 0.436 403 Y N 4.648 125.007 120.300 0.098 0.000 2.338 403 Y HA 0.384 4.935 4.550 0.001 0.000 0.333 403 Y C 0.242 176.212 175.900 0.116 0.000 0.968 403 Y CA -0.835 57.320 58.100 0.091 0.000 1.123 403 Y CB 1.835 40.376 38.460 0.134 0.000 1.165 403 Y HN 0.242 nan 8.280 nan 0.000 0.452 404 I N 4.275 125.011 120.570 0.277 0.000 2.278 404 I HA 0.007 4.177 4.170 0.001 0.000 0.300 404 I C 1.343 177.585 176.117 0.208 0.000 1.174 404 I CA 0.190 61.625 61.300 0.226 0.000 1.347 404 I CB -0.496 37.664 38.000 0.265 0.000 1.473 404 I HN 0.732 nan 8.210 nan 0.000 0.595 405 T N 1.657 116.300 114.554 0.149 0.000 3.113 405 T HA 0.087 4.437 4.350 0.001 0.000 0.263 405 T C 0.595 175.295 174.700 -0.000 0.000 1.143 405 T CA 0.540 62.632 62.100 -0.014 0.000 1.090 405 T CB 0.137 68.902 68.868 -0.172 0.000 0.922 405 T HN 0.566 nan 8.240 nan 0.000 0.521 406 E N 0.649 120.855 120.200 0.010 0.000 2.354 406 E HA 0.452 4.802 4.350 0.001 0.000 0.283 406 E C -1.412 175.068 176.600 -0.201 0.000 0.938 406 E CA -0.801 55.598 56.400 -0.001 0.000 0.777 406 E CB 1.776 31.452 29.700 -0.040 0.000 1.222 406 E HN 0.227 nan 8.360 nan 0.000 0.423 407 N N 1.611 120.204 118.700 -0.178 0.000 2.827 407 N HA 0.430 5.170 4.740 0.001 0.000 0.248 407 N C -1.276 174.295 175.510 0.101 0.000 1.074 407 N CA 0.067 52.990 53.050 -0.212 0.000 1.042 407 N CB 1.923 40.436 38.487 0.043 0.000 1.684 407 N HN 0.705 nan 8.380 nan 0.000 0.542 408 G N 1.543 110.409 108.800 0.111 0.000 2.317 408 G HA2 0.378 4.338 3.960 0.001 0.000 0.293 408 G HA3 0.378 4.338 3.960 0.001 0.000 0.293 408 G C -1.629 173.181 174.900 -0.150 0.000 1.287 408 G CA -0.381 44.775 45.100 0.093 0.000 0.850 408 G HN 0.753 nan 8.290 nan 0.000 0.515 409 I N -2.675 117.758 120.570 -0.228 0.000 3.145 409 I HA 0.934 5.104 4.170 0.001 0.000 0.313 409 I C 0.031 175.746 176.117 -0.670 0.000 1.122 409 I CA -1.332 59.713 61.300 -0.425 0.000 0.987 409 I CB 2.461 40.108 38.000 -0.587 0.000 1.236 409 I HN 1.031 nan 8.210 nan 0.000 0.453 410 G N 1.662 109.851 108.800 -1.018 0.000 2.588 410 G HA2 0.400 4.361 3.960 0.001 0.000 0.312 410 G HA3 0.400 4.361 3.960 0.001 0.000 0.312 410 G C -1.203 173.370 174.900 -0.545 0.000 1.257 410 G CA -0.341 43.993 45.100 -1.277 0.000 0.994 410 G HN 0.617 nan 8.290 nan 0.000 0.498 411 D N 1.776 121.971 120.400 -0.342 0.000 2.371 411 D HA 0.111 4.751 4.640 0.001 0.000 0.256 411 D C 0.866 177.095 176.300 -0.117 0.000 1.193 411 D CA 0.147 54.041 54.000 -0.177 0.000 0.881 411 D CB 2.023 42.766 40.800 -0.096 0.000 1.143 411 D HN 0.067 nan 8.370 nan 0.000 0.473 412 V N 2.851 122.712 119.914 -0.089 0.000 2.655 412 V HA 0.039 4.159 4.120 0.001 0.000 0.300 412 V C 0.483 176.577 176.094 0.001 0.000 1.044 412 V CA 0.465 62.744 62.300 -0.035 0.000 1.095 412 V CB 1.139 32.949 31.823 -0.023 0.000 0.952 412 V HN 0.534 nan 8.190 nan 0.000 0.485 413 D N 2.634 123.051 120.400 0.028 0.000 2.337 413 D HA 0.309 4.950 4.640 0.001 0.000 0.238 413 D C -0.126 176.210 176.300 0.060 0.000 1.331 413 D CA -0.210 53.817 54.000 0.045 0.000 0.967 413 D CB 1.177 42.012 40.800 0.059 0.000 1.382 413 D HN 0.712 nan 8.370 nan 0.000 0.549 414 T N -0.606 113.980 114.554 0.053 0.000 2.844 414 T HA 0.475 4.825 4.350 0.001 0.000 0.274 414 T C 1.271 176.002 174.700 0.052 0.000 0.991 414 T CA -0.600 61.536 62.100 0.061 0.000 0.983 414 T CB 1.694 70.597 68.868 0.059 0.000 1.310 414 T HN 0.076 nan 8.240 nan 0.000 0.596 415 K N 0.424 120.855 120.400 0.053 0.000 2.044 415 K HA -0.033 4.287 4.320 0.001 0.000 0.204 415 K C 2.323 178.944 176.600 0.035 0.000 1.049 415 K CA 1.235 57.548 56.287 0.043 0.000 0.945 415 K CB -0.027 32.499 32.500 0.045 0.000 0.724 415 K HN 0.733 nan 8.250 nan 0.000 0.440 416 E N 0.248 120.469 120.200 0.036 0.000 2.274 416 E HA -0.068 4.282 4.350 0.001 0.000 0.194 416 E C 0.166 176.782 176.600 0.027 0.000 0.996 416 E CA 0.923 57.341 56.400 0.030 0.000 0.840 416 E CB 0.027 29.746 29.700 0.031 0.000 0.772 416 E HN -0.002 nan 8.360 nan 0.000 0.491 417 T N 3.778 118.350 114.554 0.030 0.000 3.418 417 T HA 0.258 4.609 4.350 0.001 0.000 0.315 417 T C -2.668 172.048 174.700 0.027 0.000 1.447 417 T CA -1.208 60.907 62.100 0.025 0.000 1.641 417 T CB 1.598 70.481 68.868 0.025 0.000 0.904 417 T HN 0.090 nan 8.240 nan 0.000 0.640 418 P HA 0.180 nan 4.420 nan 0.000 0.271 418 P C -0.435 176.879 177.300 0.024 0.000 1.218 418 P CA -0.552 62.565 63.100 0.028 0.000 0.780 418 P CB 1.391 33.106 31.700 0.024 0.000 0.901 419 L N 5.153 126.396 121.223 0.033 0.000 2.272 419 L HA 0.297 4.638 4.340 0.001 0.000 0.284 419 L C -1.886 174.996 176.870 0.020 0.000 1.045 419 L CA -2.219 52.638 54.840 0.027 0.000 0.842 419 L CB 1.293 43.378 42.059 0.043 0.000 1.224 419 L HN 0.244 nan 8.230 nan 0.000 0.430 420 P HA -0.044 nan 4.420 nan 0.000 0.267 420 P C 0.816 178.062 177.300 -0.090 0.000 1.209 420 P CA -0.140 62.938 63.100 -0.036 0.000 0.763 420 P CB 0.946 32.625 31.700 -0.036 0.000 0.816 421 M N 2.557 122.069 119.600 -0.146 0.000 2.146 421 M HA -0.306 4.174 4.480 0.001 0.000 0.251 421 M C 1.940 178.023 176.300 -0.361 0.000 1.083 421 M CA 2.212 57.285 55.300 -0.378 0.000 1.076 421 M CB -0.328 32.015 32.600 -0.429 0.000 1.332 421 M HN 0.484 nan 8.290 nan 0.000 0.400 422 E N -0.577 119.491 120.200 -0.219 0.000 2.110 422 E HA -0.201 4.150 4.350 0.001 0.000 0.193 422 E C 1.796 178.323 176.600 -0.121 0.000 0.988 422 E CA 1.286 57.588 56.400 -0.163 0.000 0.804 422 E CB -0.095 29.546 29.700 -0.099 0.000 0.745 422 E HN 0.692 nan 8.360 nan 0.000 0.458 423 A N 1.175 123.939 122.820 -0.092 0.000 1.898 423 A HA -0.047 4.273 4.320 0.001 0.000 0.216 423 A C 2.411 179.953 177.584 -0.070 0.000 1.181 423 A CA 1.592 53.599 52.037 -0.049 0.000 0.620 423 A CB -0.762 18.222 19.000 -0.027 0.000 0.819 423 A HN 0.395 nan 8.150 nan 0.000 0.442 424 A N -0.033 122.725 122.820 -0.104 0.000 1.917 424 A HA -0.137 4.184 4.320 0.001 0.000 0.219 424 A C 2.125 179.640 177.584 -0.116 0.000 1.182 424 A CA 1.697 53.687 52.037 -0.079 0.000 0.633 424 A CB -0.658 18.303 19.000 -0.066 0.000 0.819 424 A HN 0.493 nan 8.150 nan 0.000 0.448 425 L N -0.512 120.584 121.223 -0.212 0.000 2.217 425 L HA -0.059 4.281 4.340 0.001 0.000 0.211 425 L C 0.386 177.150 176.870 -0.177 0.000 1.107 425 L CA 0.484 55.217 54.840 -0.179 0.000 0.783 425 L CB -0.504 41.430 42.059 -0.208 0.000 0.919 425 L HN 0.326 nan 8.230 nan 0.000 0.442 426 N N 1.619 120.226 118.700 -0.155 0.000 3.250 426 N HA 0.011 4.751 4.740 0.001 0.000 0.307 426 N C -0.278 175.081 175.510 -0.252 0.000 1.355 426 N CA 0.081 52.995 53.050 -0.227 0.000 1.192 426 N CB 0.028 38.575 38.487 0.101 0.000 1.478 426 N HN 0.285 nan 8.380 nan 0.000 0.543 427 D N -0.236 119.983 120.400 -0.301 0.000 2.934 427 D HA -0.068 4.573 4.640 0.001 0.000 0.237 427 D C 0.678 176.850 176.300 -0.214 0.000 1.158 427 D CA -0.441 53.451 54.000 -0.181 0.000 0.971 427 D CB -0.337 40.390 40.800 -0.121 0.000 1.123 427 D HN 0.235 nan 8.370 nan 0.000 0.467 428 Y N 0.819 121.110 120.300 -0.016 0.000 2.274 428 Y HA -0.162 4.388 4.550 0.001 0.000 0.290 428 Y C 2.533 178.423 175.900 -0.018 0.000 1.145 428 Y CA 1.042 59.129 58.100 -0.022 0.000 1.203 428 Y CB -0.203 38.244 38.460 -0.021 0.000 0.984 428 Y HN 0.143 nan 8.280 nan 0.000 0.533 429 K N 0.758 121.222 120.400 0.107 0.000 2.057 429 K HA -0.227 4.093 4.320 0.001 0.000 0.207 429 K C 2.397 179.033 176.600 0.059 0.000 1.049 429 K CA 1.459 57.790 56.287 0.073 0.000 0.931 429 K CB -0.106 32.414 32.500 0.033 0.000 0.714 429 K HN 0.228 nan 8.250 nan 0.000 0.440 430 R N 0.483 120.983 120.500 -0.000 0.000 2.092 430 R HA -0.127 4.214 4.340 0.001 0.000 0.231 430 R C 2.301 178.629 176.300 0.048 0.000 1.119 430 R CA 1.147 57.241 56.100 -0.010 0.000 0.970 430 R CB -0.308 29.960 30.300 -0.054 0.000 0.864 430 R HN 0.220 nan 8.270 nan 0.000 0.440 431 L N 1.711 122.926 121.223 -0.013 0.000 2.017 431 L HA -0.167 4.173 4.340 0.001 0.000 0.208 431 L C 1.777 178.583 176.870 -0.106 0.000 1.073 431 L CA 2.426 57.217 54.840 -0.082 0.000 0.745 431 L CB -0.890 41.094 42.059 -0.124 0.000 0.894 431 L HN 0.263 nan 8.230 nan 0.000 0.432 432 D N -2.079 118.310 120.400 -0.018 0.000 2.123 432 D HA -0.321 4.319 4.640 0.001 0.000 0.196 432 D C 2.147 178.494 176.300 0.077 0.000 0.992 432 D CA 1.593 55.588 54.000 -0.008 0.000 0.833 432 D CB -0.316 40.514 40.800 0.049 0.000 0.954 432 D HN 0.509 nan 8.370 nan 0.000 0.455 433 Y N 0.751 121.073 120.300 0.036 0.000 2.114 433 Y HA -0.111 4.439 4.550 0.001 0.000 0.284 433 Y C 2.113 178.145 175.900 0.220 0.000 1.143 433 Y CA 1.596 59.790 58.100 0.156 0.000 1.135 433 Y CB -0.456 38.077 38.460 0.122 0.000 0.980 433 Y HN 0.033 nan 8.280 nan 0.000 0.499 434 I N 0.313 121.122 120.570 0.399 0.000 2.127 434 I HA -0.415 3.756 4.170 0.001 0.000 0.241 434 I C 2.461 178.586 176.117 0.014 0.000 1.075 434 I CA 1.957 63.413 61.300 0.259 0.000 1.334 434 I CB -0.549 37.559 38.000 0.180 0.000 1.040 434 I HN 0.392 nan 8.210 nan 0.000 0.405 435 Q N 0.244 119.935 119.800 -0.181 0.000 2.061 435 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 435 Q C 2.373 178.318 176.000 -0.091 0.000 0.984 435 Q CA 1.508 57.134 55.803 -0.295 0.000 0.846 435 Q CB -0.269 28.160 28.738 -0.515 0.000 0.902 435 Q HN 0.479 nan 8.270 nan 0.000 0.421 436 R N -0.233 120.236 120.500 -0.051 0.000 2.091 436 R HA -0.165 4.175 4.340 0.001 0.000 0.238 436 R C 2.037 178.276 176.300 -0.101 0.000 1.136 436 R CA 1.683 57.736 56.100 -0.078 0.000 0.959 436 R CB -0.304 29.913 30.300 -0.140 0.000 0.856 436 R HN 0.423 nan 8.270 nan 0.000 0.437 437 H N 0.052 119.065 119.070 -0.095 0.000 2.389 437 H HA -0.010 4.546 4.556 0.001 0.000 0.299 437 H C 1.989 177.332 175.328 0.025 0.000 1.081 437 H CA 1.389 57.423 56.048 -0.024 0.000 1.345 437 H CB -0.103 29.681 29.762 0.036 0.000 1.393 437 H HN 0.115 nan 8.280 nan 0.000 0.520 438 I N 0.268 120.870 120.570 0.053 0.000 2.163 438 I HA -0.318 3.853 4.170 0.001 0.000 0.243 438 I C 2.591 178.919 176.117 0.351 0.000 1.085 438 I CA 1.040 62.384 61.300 0.074 0.000 1.347 438 I CB -0.365 37.598 38.000 -0.062 0.000 1.044 438 I HN 0.339 nan 8.210 nan 0.000 0.408 439 A N 0.726 123.703 122.820 0.263 0.000 1.883 439 A HA -0.293 4.027 4.320 0.001 0.000 0.217 439 A C 2.414 180.118 177.584 0.199 0.000 1.186 439 A CA 2.701 54.931 52.037 0.322 0.000 0.624 439 A CB -1.362 17.780 19.000 0.236 0.000 0.822 439 A HN 0.541 nan 8.150 nan 0.000 0.444 440 T N -1.820 112.794 114.554 0.100 0.000 2.977 440 T HA -0.000 4.350 4.350 0.001 0.000 0.271 440 T C 1.680 176.435 174.700 0.093 0.000 1.105 440 T CA 1.357 63.480 62.100 0.039 0.000 1.116 440 T CB -0.487 68.352 68.868 -0.049 0.000 0.878 440 T HN 0.336 nan 8.240 nan 0.000 0.509 441 L N 0.099 121.447 121.223 0.209 0.000 2.095 441 L HA 0.107 4.447 4.340 0.001 0.000 0.204 441 L C 2.857 179.827 176.870 0.168 0.000 1.080 441 L CA 1.264 56.270 54.840 0.278 0.000 0.759 441 L CB -0.488 41.866 42.059 0.492 0.000 0.914 441 L HN 0.274 nan 8.230 nan 0.000 0.439 442 K N 1.040 121.483 120.400 0.072 0.000 2.097 442 K HA -0.202 4.118 4.320 0.001 0.000 0.206 442 K C 1.738 178.228 176.600 -0.183 0.000 1.049 442 K CA 1.627 57.728 56.287 -0.310 0.000 0.933 442 K CB -0.145 32.149 32.500 -0.343 0.000 0.717 442 K HN 0.299 nan 8.250 nan 0.000 0.442 443 E N -0.085 120.064 120.200 -0.086 0.000 2.031 443 E HA -0.119 4.231 4.350 0.001 0.000 0.193 443 E C 2.071 178.635 176.600 -0.060 0.000 0.994 443 E CA 1.517 57.863 56.400 -0.090 0.000 0.800 443 E CB -0.114 29.550 29.700 -0.060 0.000 0.752 443 E HN 0.289 nan 8.360 nan 0.000 0.447 444 S N 0.842 116.534 115.700 -0.014 0.000 2.383 444 S HA -0.148 4.322 4.470 0.001 0.000 0.229 444 S C 2.027 176.632 174.600 0.010 0.000 1.030 444 S CA 0.814 59.019 58.200 0.008 0.000 1.002 444 S CB -0.209 63.020 63.200 0.048 0.000 0.829 444 S HN 0.204 nan 8.310 nan 0.000 0.467 445 I N 1.545 122.118 120.570 0.006 0.000 2.142 445 I HA -0.223 3.948 4.170 0.001 0.000 0.240 445 I C 1.961 178.060 176.117 -0.030 0.000 1.078 445 I CA 1.395 62.699 61.300 0.006 0.000 1.343 445 I CB -0.545 37.440 38.000 -0.025 0.000 1.046 445 I HN 0.167 nan 8.210 nan 0.000 0.405 446 D N 0.780 121.134 120.400 -0.075 0.000 2.221 446 D HA -0.115 4.526 4.640 0.001 0.000 0.204 446 D C 1.804 178.072 176.300 -0.053 0.000 0.982 446 D CA 1.007 54.958 54.000 -0.081 0.000 0.857 446 D CB -0.127 40.600 40.800 -0.121 0.000 0.934 446 D HN 0.291 nan 8.370 nan 0.000 0.475 447 L N -0.800 120.398 121.223 -0.041 0.000 2.645 447 L HA 0.212 4.553 4.340 0.001 0.000 0.234 447 L C 1.359 178.221 176.870 -0.014 0.000 1.165 447 L CA 0.185 55.008 54.840 -0.028 0.000 0.944 447 L CB -0.202 41.841 42.059 -0.027 0.000 1.149 447 L HN 0.175 nan 8.230 nan 0.000 0.446 448 G N -0.447 108.349 108.800 -0.007 0.000 2.157 448 G HA2 -0.297 3.664 3.960 0.001 0.000 0.248 448 G HA3 -0.297 3.664 3.960 0.001 0.000 0.248 448 G C 0.434 175.347 174.900 0.022 0.000 0.979 448 G CA 0.454 45.558 45.100 0.007 0.000 0.650 448 G HN 0.387 nan 8.290 nan 0.000 0.529 449 S N -0.417 115.300 115.700 0.029 0.000 2.579 449 S HA 0.393 4.863 4.470 0.001 0.000 0.275 449 S C 0.893 175.532 174.600 0.065 0.000 1.345 449 S CA 0.401 58.630 58.200 0.048 0.000 1.031 449 S CB 0.795 64.030 63.200 0.059 0.000 0.892 449 S HN 0.414 nan 8.310 nan 0.000 0.529 450 N N 2.952 121.692 118.700 0.066 0.000 2.451 450 N HA 0.180 4.920 4.740 0.001 0.000 0.264 450 N C -0.731 174.807 175.510 0.046 0.000 1.167 450 N CA -0.339 52.749 53.050 0.064 0.000 0.898 450 N CB -0.274 38.247 38.487 0.056 0.000 1.176 450 N HN 0.375 nan 8.380 nan 0.000 0.507 451 V N 0.666 120.639 119.914 0.098 0.000 2.740 451 V HA 0.077 4.198 4.120 0.001 0.000 0.303 451 V C 1.154 177.285 176.094 0.061 0.000 1.054 451 V CA 0.103 62.455 62.300 0.085 0.000 1.106 451 V CB 1.387 33.365 31.823 0.259 0.000 0.957 451 V HN 0.329 nan 8.190 nan 0.000 0.486 452 Q N 2.137 121.692 119.800 -0.408 0.000 2.288 452 Q HA 0.331 4.671 4.340 0.001 0.000 0.256 452 Q C 0.673 175.871 176.000 -1.337 0.000 0.835 452 Q CA 0.811 56.199 55.803 -0.692 0.000 0.958 452 Q CB 2.011 30.218 28.738 -0.885 0.000 1.125 452 Q HN 0.984 nan 8.270 nan 0.000 0.513 453 G N 0.042 108.174 108.800 -1.112 0.000 2.559 453 G HA2 0.432 4.392 3.960 0.001 0.000 0.291 453 G HA3 0.432 4.392 3.960 0.001 0.000 0.291 453 G C -2.428 172.243 174.900 -0.382 0.000 1.424 453 G CA -0.550 43.947 45.100 -1.004 0.000 0.786 453 G HN 0.010 nan 8.290 nan 0.000 0.485 454 Y N -0.086 119.831 120.300 -0.638 0.000 2.421 454 Y HA 0.752 5.302 4.550 0.001 0.000 0.339 454 Y C -1.854 173.864 175.900 -0.303 0.000 0.996 454 Y CA -1.557 56.403 58.100 -0.233 0.000 1.046 454 Y CB 1.783 40.200 38.460 -0.073 0.000 1.226 454 Y HN 0.397 nan 8.280 nan 0.000 0.445 455 F N 5.093 124.711 119.950 -0.554 0.000 2.427 455 F HA 0.686 5.214 4.527 0.001 0.000 0.348 455 F C 0.297 175.783 175.800 -0.524 0.000 1.125 455 F CA -0.844 56.936 58.000 -0.366 0.000 0.989 455 F CB 1.591 40.468 39.000 -0.204 0.000 1.165 455 F HN 0.722 nan 8.300 nan 0.000 0.442 456 A N 4.808 127.564 122.820 -0.107 0.000 2.492 456 A HA 0.034 4.354 4.320 0.001 0.000 0.254 456 A C -0.416 177.257 177.584 0.148 0.000 1.091 456 A CA -0.429 51.637 52.037 0.050 0.000 0.768 456 A CB 0.120 19.260 19.000 0.233 0.000 1.028 456 A HN 0.914 nan 8.150 nan 0.000 0.498 457 W N 3.199 124.521 121.300 0.037 0.000 2.356 457 W HA 0.362 5.022 4.660 0.001 0.000 0.311 457 W C -0.576 176.033 176.519 0.150 0.000 1.328 457 W CA 0.551 57.952 57.345 0.094 0.000 1.251 457 W CB 0.363 29.915 29.460 0.152 0.000 1.280 457 W HN 0.879 nan 8.180 nan 0.000 0.524 458 S N 5.070 120.158 115.700 -1.019 0.000 3.741 458 S HA -0.210 4.260 4.470 0.001 0.000 0.746 458 S C 0.503 174.908 174.600 -0.325 0.000 0.477 458 S CA 0.115 57.770 58.200 -0.908 0.000 1.449 458 S CB -1.323 61.441 63.200 -0.725 0.000 0.863 458 S HN 0.716 nan 8.310 nan 0.000 1.075 459 L N 2.820 123.906 121.223 -0.227 0.000 2.156 459 L HA 0.228 4.568 4.340 0.001 0.000 0.208 459 L C 0.246 177.064 176.870 -0.088 0.000 1.095 459 L CA 1.593 56.389 54.840 -0.073 0.000 0.770 459 L CB 0.014 42.075 42.059 0.003 0.000 0.914 459 L HN 0.631 nan 8.230 nan 0.000 0.439 460 L N -0.054 121.085 121.223 -0.140 0.000 2.370 460 L HA 0.385 4.725 4.340 0.001 0.000 0.266 460 L C -0.850 175.959 176.870 -0.102 0.000 1.002 460 L CA -1.091 53.690 54.840 -0.098 0.000 0.818 460 L CB 1.788 43.802 42.059 -0.075 0.000 1.325 460 L HN -0.160 nan 8.230 nan 0.000 0.418 461 D N 2.711 123.075 120.400 -0.060 0.000 2.424 461 D HA 0.244 4.884 4.640 0.001 0.000 0.244 461 D C -0.454 175.853 176.300 0.012 0.000 1.134 461 D CA 0.389 54.376 54.000 -0.023 0.000 0.881 461 D CB 0.715 41.461 40.800 -0.090 0.000 1.191 461 D HN 0.646 nan 8.370 nan 0.000 0.445 462 N N 0.223 118.970 118.700 0.079 0.000 3.449 462 N HA 0.159 4.899 4.740 0.001 0.000 0.312 462 N C -1.046 174.521 175.510 0.096 0.000 1.582 462 N CA -0.726 52.402 53.050 0.131 0.000 0.850 462 N CB 0.531 39.002 38.487 -0.026 0.000 1.822 462 N HN 0.181 nan 8.380 nan 0.000 0.577 463 F N 1.630 121.395 119.950 -0.309 0.000 2.502 463 F HA 0.169 4.697 4.527 0.001 0.000 0.371 463 F C 0.480 175.870 175.800 -0.682 0.000 1.083 463 F CA -0.093 57.429 58.000 -0.797 0.000 1.174 463 F CB 0.328 38.817 39.000 -0.850 0.000 1.096 463 F HN 0.268 nan 8.300 nan 0.000 0.545 464 E N 7.405 127.000 120.200 -1.008 0.000 2.341 464 E HA 0.033 4.384 4.350 0.001 0.000 0.279 464 E C -0.022 176.105 176.600 -0.787 0.000 1.395 464 E CA -0.042 55.934 56.400 -0.707 0.000 1.648 464 E CB -0.379 29.193 29.700 -0.213 0.000 1.524 464 E HN 0.842 nan 8.360 nan 0.000 0.462 465 W N 0.192 120.931 121.300 -0.934 0.000 2.047 465 W HA -0.433 4.228 4.660 0.001 0.000 0.283 465 W C 1.550 177.874 176.519 -0.324 0.000 1.201 465 W CA 1.142 58.096 57.345 -0.651 0.000 1.140 465 W CB -1.825 27.348 29.460 -0.478 0.000 0.885 465 W HN 0.496 nan 8.180 nan 0.000 0.538 466 F N 0.202 120.439 119.950 0.479 0.000 2.583 466 F HA 0.306 4.833 4.527 0.001 0.000 0.297 466 F C 1.693 177.599 175.800 0.176 0.000 1.131 466 F CA 1.027 59.272 58.000 0.409 0.000 1.467 466 F CB -1.435 37.849 39.000 0.474 0.000 1.097 466 F HN 0.191 nan 8.300 nan 0.000 0.586 467 A N 0.343 122.987 122.820 -0.293 0.000 2.238 467 A HA 0.516 4.837 4.320 0.001 0.000 0.210 467 A C 2.013 179.476 177.584 -0.201 0.000 1.179 467 A CA 0.570 52.500 52.037 -0.179 0.000 0.827 467 A CB -1.240 17.618 19.000 -0.237 0.000 0.856 467 A HN 0.852 nan 8.150 nan 0.000 0.488 468 G N -0.204 108.301 108.800 -0.492 0.000 2.622 468 G HA2 -0.340 3.621 3.960 0.001 0.000 0.307 468 G HA3 -0.340 3.621 3.960 0.001 0.000 0.307 468 G C 0.225 174.760 174.900 -0.609 0.000 1.226 468 G CA 0.765 45.517 45.100 -0.580 0.000 0.997 468 G HN 0.573 nan 8.290 nan 0.000 0.551 469 F N 2.212 122.166 119.950 0.006 0.000 2.684 469 F HA 0.334 4.862 4.527 0.001 0.000 0.298 469 F C 2.442 178.247 175.800 0.009 0.000 1.120 469 F CA 0.892 58.899 58.000 0.012 0.000 1.332 469 F CB 0.455 39.486 39.000 0.052 0.000 0.986 469 F HN 0.539 nan 8.300 nan 0.000 0.524 470 T N -3.282 111.342 114.554 0.117 0.000 3.118 470 T HA 0.077 4.427 4.350 0.001 0.000 0.260 470 T C 0.490 175.233 174.700 0.073 0.000 1.139 470 T CA 0.544 62.703 62.100 0.099 0.000 1.085 470 T CB -0.165 68.754 68.868 0.085 0.000 0.934 470 T HN 0.244 nan 8.240 nan 0.000 0.518 471 E N 0.444 120.690 120.200 0.076 0.000 2.275 471 E HA 0.486 4.836 4.350 0.001 0.000 0.270 471 E C -1.031 175.621 176.600 0.087 0.000 0.882 471 E CA -0.814 55.613 56.400 0.046 0.000 0.758 471 E CB 2.057 31.799 29.700 0.069 0.000 1.195 471 E HN 0.190 nan 8.360 nan 0.000 0.419 472 R N 2.391 122.893 120.500 0.003 0.000 2.246 472 R HA 0.265 4.606 4.340 0.001 0.000 0.332 472 R C -0.286 176.001 176.300 -0.020 0.000 0.974 472 R CA -0.176 55.947 56.100 0.039 0.000 0.837 472 R CB 0.679 30.996 30.300 0.029 0.000 1.145 472 R HN 0.616 nan 8.270 nan 0.000 0.467 473 Y N 0.525 120.834 120.300 0.015 0.000 2.458 473 Y HA 0.185 4.735 4.550 0.001 0.000 0.254 473 Y C 1.673 177.535 175.900 -0.063 0.000 1.120 473 Y CA -0.031 58.082 58.100 0.022 0.000 1.282 473 Y CB 0.792 39.335 38.460 0.138 0.000 1.109 473 Y HN 0.695 nan 8.280 nan 0.000 0.526 474 G N 0.706 109.536 108.800 0.050 0.000 2.594 474 G HA2 0.220 4.181 3.960 0.001 0.000 0.243 474 G HA3 0.220 4.181 3.960 0.001 0.000 0.243 474 G C 0.984 175.894 174.900 0.017 0.000 1.229 474 G CA -0.179 44.911 45.100 -0.017 0.000 0.843 474 G HN 0.424 nan 8.290 nan 0.000 0.578 475 I N -1.748 118.830 120.570 0.013 0.000 3.783 475 I HA 0.274 4.444 4.170 0.001 0.000 0.310 475 I C -0.120 176.025 176.117 0.045 0.000 1.274 475 I CA -0.064 61.258 61.300 0.037 0.000 1.294 475 I CB 0.105 38.136 38.000 0.051 0.000 1.051 475 I HN 0.010 nan 8.210 nan 0.000 0.435 476 V N 1.478 121.417 119.914 0.042 0.000 2.448 476 V HA 0.287 4.407 4.120 0.001 0.000 0.295 476 V C -0.806 175.359 176.094 0.117 0.000 1.025 476 V CA -0.697 61.646 62.300 0.071 0.000 0.859 476 V CB 1.513 33.349 31.823 0.022 0.000 0.988 476 V HN 0.188 nan 8.190 nan 0.000 0.431 477 Y N 4.860 125.191 120.300 0.052 0.000 2.346 477 Y HA 0.500 5.050 4.550 0.001 0.000 0.330 477 Y C -0.094 175.868 175.900 0.103 0.000 1.178 477 Y CA 0.024 58.159 58.100 0.058 0.000 1.331 477 Y CB 1.316 39.801 38.460 0.042 0.000 1.253 477 Y HN 0.378 nan 8.280 nan 0.000 0.529 478 V N 6.480 126.133 119.914 -0.436 0.000 2.376 478 V HA 0.130 4.250 4.120 0.001 0.000 0.287 478 V C -0.763 175.058 176.094 -0.455 0.000 1.015 478 V CA -0.977 61.163 62.300 -0.268 0.000 0.834 478 V CB 1.271 32.980 31.823 -0.191 0.000 1.001 478 V HN 0.701 nan 8.190 nan 0.000 0.428 479 D N 4.443 124.794 120.400 -0.081 0.000 2.374 479 D HA 0.186 4.827 4.640 0.001 0.000 0.240 479 D C 1.328 177.595 176.300 -0.055 0.000 1.229 479 D CA -0.168 53.832 54.000 0.000 0.000 0.895 479 D CB 0.800 41.754 40.800 0.255 0.000 1.046 479 D HN 0.445 nan 8.370 nan 0.000 0.498 480 R N 2.707 123.116 120.500 -0.151 0.000 2.235 480 R HA -0.003 4.337 4.340 0.001 0.000 0.213 480 R C 1.081 177.326 176.300 -0.092 0.000 1.059 480 R CA 0.602 56.603 56.100 -0.165 0.000 0.997 480 R CB -0.015 30.113 30.300 -0.287 0.000 0.884 480 R HN 0.475 nan 8.270 nan 0.000 0.462 481 N N 0.569 119.241 118.700 -0.048 0.000 2.467 481 N HA 0.002 4.742 4.740 0.001 0.000 0.184 481 N C -0.070 175.439 175.510 -0.002 0.000 1.106 481 N CA 0.169 53.205 53.050 -0.023 0.000 0.892 481 N CB 0.271 38.753 38.487 -0.008 0.000 0.969 481 N HN 0.124 nan 8.380 nan 0.000 0.454 482 N N 1.265 119.975 118.700 0.016 0.000 2.679 482 N HA 0.115 4.855 4.740 0.001 0.000 0.302 482 N C -1.013 174.511 175.510 0.023 0.000 1.941 482 N CA -0.113 52.957 53.050 0.032 0.000 0.875 482 N CB 0.498 39.031 38.487 0.077 0.000 1.278 482 N HN 0.015 nan 8.380 nan 0.000 0.490 483 N N 0.347 119.044 118.700 -0.005 0.000 2.740 483 N HA -0.177 4.564 4.740 0.001 0.000 0.248 483 N C -0.227 175.273 175.510 -0.017 0.000 1.062 483 N CA 0.737 53.777 53.050 -0.016 0.000 0.704 483 N CB -1.729 36.747 38.487 -0.018 0.000 0.968 483 N HN 0.586 nan 8.380 nan 0.000 0.547 484 C N -1.249 118.036 119.300 -0.025 0.000 4.274 484 C HA -0.199 4.261 4.460 0.001 0.000 0.297 484 C C 1.335 176.320 174.990 -0.008 0.000 1.446 484 C CA 1.081 60.079 59.018 -0.034 0.000 2.016 484 C CB -2.854 24.860 27.740 -0.043 0.000 1.273 484 C HN 0.734 nan 8.230 nan 0.000 0.782 485 T N 0.158 114.731 114.554 0.033 0.000 2.870 485 T HA 0.470 4.820 4.350 0.001 0.000 0.300 485 T C 0.403 175.119 174.700 0.026 0.000 0.989 485 T CA -0.345 61.746 62.100 -0.016 0.000 1.139 485 T CB 0.868 69.714 68.868 -0.036 0.000 0.920 485 T HN 0.652 nan 8.240 nan 0.000 0.537 486 R N 2.113 122.550 120.500 -0.105 0.000 2.457 486 R HA 0.469 4.809 4.340 0.001 0.000 0.284 486 R C -1.391 174.809 176.300 -0.168 0.000 1.024 486 R CA -0.760 55.334 56.100 -0.010 0.000 1.025 486 R CB 0.050 30.332 30.300 -0.031 0.000 1.063 486 R HN 0.739 nan 8.270 nan 0.000 0.493 487 Y N 0.658 121.011 120.300 0.089 0.000 2.492 487 Y HA 0.389 4.940 4.550 0.001 0.000 0.346 487 Y C 0.535 176.467 175.900 0.052 0.000 0.997 487 Y CA -1.091 57.047 58.100 0.062 0.000 1.025 487 Y CB 2.017 40.514 38.460 0.062 0.000 1.263 487 Y HN 0.302 nan 8.280 nan 0.000 0.454 488 M N 3.413 123.104 119.600 0.151 0.000 2.228 488 M HA 0.247 4.727 4.480 0.001 0.000 0.351 488 M C -0.283 176.058 176.300 0.068 0.000 1.233 488 M CA 0.099 55.449 55.300 0.084 0.000 1.129 488 M CB 0.689 33.312 32.600 0.039 0.000 1.604 488 M HN 0.660 nan 8.290 nan 0.000 0.457 489 K N 1.397 121.822 120.400 0.042 0.000 2.177 489 K HA 0.217 4.537 4.320 0.001 0.000 0.238 489 K C 0.856 177.432 176.600 -0.041 0.000 1.015 489 K CA -0.937 55.340 56.287 -0.016 0.000 0.922 489 K CB 0.904 33.394 32.500 -0.017 0.000 1.127 489 K HN 0.458 nan 8.250 nan 0.000 0.469 490 E N 0.697 120.819 120.200 -0.130 0.000 2.153 490 E HA -0.176 4.175 4.350 0.001 0.000 0.194 490 E C 1.966 178.548 176.600 -0.030 0.000 0.988 490 E CA 1.696 58.016 56.400 -0.133 0.000 0.811 490 E CB -0.327 29.124 29.700 -0.416 0.000 0.746 490 E HN 0.686 nan 8.360 nan 0.000 0.466 491 S N 1.248 116.918 115.700 -0.050 0.000 2.359 491 S HA -0.133 4.337 4.470 0.001 0.000 0.224 491 S C 2.299 176.977 174.600 0.130 0.000 1.035 491 S CA 1.382 59.614 58.200 0.053 0.000 1.018 491 S CB -0.396 62.820 63.200 0.026 0.000 0.876 491 S HN 0.262 nan 8.310 nan 0.000 0.448 492 A N 2.428 125.291 122.820 0.072 0.000 1.883 492 A HA -0.100 4.220 4.320 0.001 0.000 0.217 492 A C 2.287 179.907 177.584 0.059 0.000 1.186 492 A CA 1.785 53.860 52.037 0.063 0.000 0.624 492 A CB -0.744 18.279 19.000 0.038 0.000 0.822 492 A HN 0.628 nan 8.150 nan 0.000 0.444 493 K N -1.927 118.508 120.400 0.059 0.000 2.063 493 K HA -0.226 4.094 4.320 0.001 0.000 0.208 493 K C 1.806 178.449 176.600 0.071 0.000 1.048 493 K CA 1.677 57.994 56.287 0.050 0.000 0.928 493 K CB -0.295 32.236 32.500 0.051 0.000 0.713 493 K HN 0.728 nan 8.250 nan 0.000 0.442 494 W N 1.738 123.025 121.300 -0.022 0.000 2.355 494 W HA -0.147 4.513 4.660 0.001 0.000 0.309 494 W C 1.478 177.990 176.519 -0.013 0.000 1.206 494 W CA 1.230 58.568 57.345 -0.012 0.000 1.284 494 W CB -0.306 29.141 29.460 -0.022 0.000 1.145 494 W HN -0.069 nan 8.180 nan 0.000 0.502 495 L N 0.880 122.103 121.223 0.000 0.000 2.127 495 L HA -0.265 4.076 4.340 0.001 0.000 0.211 495 L C 2.639 179.369 176.870 -0.234 0.000 1.089 495 L CA 1.884 56.592 54.840 -0.219 0.000 0.757 495 L CB -0.869 41.184 42.059 -0.009 0.000 0.899 495 L HN 0.039 nan 8.230 nan 0.000 0.434 496 K N 0.779 121.090 120.400 -0.148 0.000 2.002 496 K HA -0.238 4.082 4.320 0.001 0.000 0.209 496 K C 2.029 178.523 176.600 -0.177 0.000 1.048 496 K CA 1.918 58.131 56.287 -0.124 0.000 0.930 496 K CB -0.065 32.391 32.500 -0.073 0.000 0.714 496 K HN 0.492 nan 8.250 nan 0.000 0.438 497 E N -0.281 119.784 120.200 -0.226 0.000 2.204 497 E HA -0.209 4.141 4.350 0.001 0.000 0.194 497 E C 1.972 178.367 176.600 -0.343 0.000 0.989 497 E CA 0.836 57.091 56.400 -0.243 0.000 0.824 497 E CB -0.515 29.061 29.700 -0.206 0.000 0.756 497 E HN 0.386 nan 8.360 nan 0.000 0.477 498 F N 2.285 121.803 119.950 -0.720 0.000 2.134 498 F HA -0.102 4.425 4.527 0.001 0.000 0.299 498 F C 1.473 176.954 175.800 -0.532 0.000 1.097 498 F CA 2.079 59.589 58.000 -0.816 0.000 1.264 498 F CB -0.144 38.054 39.000 -1.336 0.000 1.001 498 F HN -0.043 nan 8.300 nan 0.000 0.479 499 N N -1.500 117.053 118.700 -0.246 0.000 2.446 499 N HA -0.057 4.683 4.740 0.001 0.000 0.179 499 N C 1.294 176.690 175.510 -0.189 0.000 1.054 499 N CA 1.128 54.055 53.050 -0.205 0.000 0.905 499 N CB 0.055 38.495 38.487 -0.079 0.000 0.973 499 N HN 0.201 nan 8.380 nan 0.000 0.448 500 T N 0.284 114.723 114.554 -0.191 0.000 3.031 500 T HA 0.234 4.584 4.350 0.001 0.000 0.254 500 T C 1.121 175.732 174.700 -0.149 0.000 1.060 500 T CA 0.051 62.066 62.100 -0.143 0.000 1.135 500 T CB -0.031 68.767 68.868 -0.117 0.000 0.896 500 T HN 0.271 nan 8.240 nan 0.000 0.472 501 A N 0.000 122.703 122.820 -0.196 0.000 2.254 501 A HA 0.000 4.320 4.320 0.001 0.000 0.244 501 A CA 0.000 51.935 52.037 -0.169 0.000 0.836 501 A CB 0.000 18.866 19.000 -0.224 0.000 0.831 501 A HN 0.000 nan 8.150 nan 0.000 0.486