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 1eak_1_B DATA FIRST_RESID 32 DATA SEQUENCE SPIIKFPGDV APKTDKELAV QYLNTFYGcP KEScNLFVLK DTLKKMQKFF DATA SEQUENCE GLPQTGDLDQ NTIETMRKPR CGNPDVANYN FFPRKPKWDK NQITYRIIGY DATA SEQUENCE TPDLDPETVD DAFARAFQVW SDVTPLRFSR IHDGEADIMI NFGRWEHGDG DATA SEQUENCE YPFDGKDGLL AHAFAPGTGV GGDSHFDDDE LWTLGEGQVV RVKYGNADGE DATA SEQUENCE YcKFPFLFNG KEYNScTDTG RSDGFLWcST TYNFEKDGKY GFcPHEALFT DATA SEQUENCE MGGNAEGQPc KFPFRFQGTS YDScTTEGRT DGYRWcGTTE DYDRDKKYGF DATA SEQUENCE cPETAMSTVG GNSEGAPcVF PFTFLGNKYE ScTSAGRSDG KMWcATTANY DATA SEQUENCE DDDRKWGFcP DQGYSLFLVA AHQFGHAMGL EHSQDPGALM APIYTYTKNF DATA SEQUENCE RLSQDDIKGI QELYGASPD 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 32 S HA 0.000 nan 4.470 nan 0.000 0.327 32 S C 0.000 174.656 174.600 0.093 0.000 1.055 32 S CA 0.000 58.271 58.200 0.118 0.000 1.107 32 S CB 0.000 63.329 63.200 0.215 0.000 0.593 33 P HA 0.369 nan 4.420 nan 0.000 0.282 33 P C -0.344 176.977 177.300 0.035 0.000 1.262 33 P CA -0.523 62.593 63.100 0.027 0.000 0.773 33 P CB 0.342 32.035 31.700 -0.012 0.000 0.879 34 I N 3.863 124.450 120.570 0.028 0.000 2.578 34 I HA 0.078 4.248 4.170 -0.000 0.000 0.286 34 I C -0.320 175.758 176.117 -0.064 0.000 1.126 34 I CA 0.104 61.413 61.300 0.015 0.000 1.380 34 I CB -0.106 37.907 38.000 0.023 0.000 1.408 34 I HN 0.255 nan 8.210 nan 0.000 0.532 35 I N 7.039 127.514 120.570 -0.158 0.000 2.783 35 I HA 0.272 4.442 4.170 -0.000 0.000 0.312 35 I C -0.095 175.761 176.117 -0.434 0.000 0.988 35 I CA -0.893 60.224 61.300 -0.305 0.000 1.182 35 I CB 1.295 39.064 38.000 -0.386 0.000 1.368 35 I HN 0.462 nan 8.210 nan 0.000 0.511 36 K N 3.526 123.705 120.400 -0.369 0.000 2.264 36 K HA 0.365 4.685 4.320 -0.000 0.000 0.277 36 K C -1.267 175.094 176.600 -0.398 0.000 1.067 36 K CA -0.115 55.996 56.287 -0.293 0.000 0.900 36 K CB 0.010 32.423 32.500 -0.145 0.000 1.124 36 K HN 0.150 nan 8.250 nan 0.000 0.469 37 F N 5.644 125.375 119.950 -0.364 0.000 2.412 37 F HA 0.289 4.816 4.527 -0.000 0.000 0.348 37 F C -1.492 174.159 175.800 -0.250 0.000 1.102 37 F CA -2.110 55.543 58.000 -0.579 0.000 1.196 37 F CB 0.493 38.633 39.000 -1.434 0.000 1.144 37 F HN 0.505 nan 8.300 nan 0.000 0.541 38 P HA 0.026 nan 4.420 nan 0.000 0.261 38 P C 0.616 178.100 177.300 0.306 0.000 1.173 38 P CA 0.924 64.150 63.100 0.211 0.000 0.760 38 P CB 0.292 32.145 31.700 0.255 0.000 0.783 39 G N 1.808 110.711 108.800 0.172 0.000 2.269 39 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.277 39 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.277 39 G C 0.238 175.259 174.900 0.201 0.000 1.008 39 G CA 0.511 45.701 45.100 0.150 0.000 0.774 39 G HN 0.637 nan 8.290 nan 0.000 0.511 40 D N -0.702 119.837 120.400 0.232 0.000 2.388 40 D HA 0.528 5.168 4.640 -0.000 0.000 0.254 40 D C 1.107 177.509 176.300 0.171 0.000 1.111 40 D CA 0.145 54.301 54.000 0.260 0.000 0.993 40 D CB 1.344 42.276 40.800 0.221 0.000 1.118 40 D HN 0.683 nan 8.370 nan 0.000 0.502 41 V N -0.563 119.471 119.914 0.199 0.000 2.686 41 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 41 V C 0.381 176.547 176.094 0.119 0.000 1.055 41 V CA -0.949 61.448 62.300 0.162 0.000 1.050 41 V CB 0.422 32.388 31.823 0.237 0.000 0.984 41 V HN 0.648 nan 8.190 nan 0.000 0.482 42 A N 6.110 128.977 122.820 0.079 0.000 2.492 42 A HA 0.535 4.855 4.320 -0.000 0.000 0.254 42 A C -1.422 176.208 177.584 0.077 0.000 1.091 42 A CA -1.000 51.071 52.037 0.057 0.000 0.768 42 A CB -0.671 18.347 19.000 0.031 0.000 1.028 42 A HN 0.928 nan 8.150 nan 0.000 0.498 43 P HA 0.173 nan 4.420 nan 0.000 0.271 43 P C -0.583 176.756 177.300 0.065 0.000 1.220 43 P CA -0.060 63.085 63.100 0.075 0.000 0.768 43 P CB 0.713 32.449 31.700 0.061 0.000 0.848 44 K N 1.602 122.047 120.400 0.076 0.000 2.118 44 K HA 0.335 4.655 4.320 -0.000 0.000 0.264 44 K C 0.767 177.399 176.600 0.053 0.000 1.000 44 K CA -0.238 56.090 56.287 0.067 0.000 0.929 44 K CB 0.833 33.384 32.500 0.084 0.000 1.021 44 K HN 0.523 nan 8.250 nan 0.000 0.463 45 T N -2.034 112.546 114.554 0.043 0.000 2.934 45 T HA 0.151 4.501 4.350 -0.000 0.000 0.283 45 T C 0.710 175.429 174.700 0.032 0.000 1.005 45 T CA -0.700 61.419 62.100 0.033 0.000 1.041 45 T CB 1.003 69.885 68.868 0.024 0.000 1.042 45 T HN 0.361 nan 8.240 nan 0.000 0.505 46 D N 0.529 120.942 120.400 0.023 0.000 2.191 46 D HA -0.179 4.461 4.640 -0.000 0.000 0.190 46 D C 1.855 178.165 176.300 0.017 0.000 1.007 46 D CA 1.818 55.827 54.000 0.015 0.000 0.865 46 D CB -0.039 40.764 40.800 0.005 0.000 0.929 46 D HN 0.739 nan 8.370 nan 0.000 0.447 47 K N 0.274 120.684 120.400 0.016 0.000 2.062 47 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 47 K C 1.942 178.561 176.600 0.032 0.000 1.051 47 K CA 0.987 57.285 56.287 0.018 0.000 0.941 47 K CB 0.115 32.621 32.500 0.010 0.000 0.719 47 K HN 0.155 nan 8.250 nan 0.000 0.440 48 E N 0.727 120.948 120.200 0.035 0.000 2.049 48 E HA -0.249 4.100 4.350 -0.000 0.000 0.198 48 E C 2.000 178.639 176.600 0.066 0.000 1.007 48 E CA 1.373 57.801 56.400 0.045 0.000 0.809 48 E CB -0.235 29.492 29.700 0.045 0.000 0.749 48 E HN 0.173 nan 8.360 nan 0.000 0.450 49 L N 1.337 122.604 121.223 0.073 0.000 1.997 49 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 49 L C 2.250 179.197 176.870 0.129 0.000 1.074 49 L CA 2.437 57.339 54.840 0.103 0.000 0.763 49 L CB -1.010 41.100 42.059 0.085 0.000 0.890 49 L HN 0.078 nan 8.230 nan 0.000 0.434 50 A N -0.967 121.903 122.820 0.082 0.000 1.865 50 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 50 A C 2.250 179.911 177.584 0.128 0.000 1.191 50 A CA 2.516 54.602 52.037 0.083 0.000 0.623 50 A CB -1.307 17.707 19.000 0.023 0.000 0.826 50 A HN 0.378 nan 8.150 nan 0.000 0.444 51 V N -0.010 119.956 119.914 0.086 0.000 2.392 51 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 51 V C 2.661 178.804 176.094 0.083 0.000 1.059 51 V CA 2.306 64.652 62.300 0.077 0.000 1.051 51 V CB -0.914 30.938 31.823 0.049 0.000 0.658 51 V HN 0.719 nan 8.190 nan 0.000 0.455 52 Q N -1.010 118.842 119.800 0.087 0.000 2.020 52 Q HA -0.223 4.117 4.340 -0.000 0.000 0.198 52 Q C 2.293 178.309 176.000 0.026 0.000 0.974 52 Q CA 1.944 57.777 55.803 0.049 0.000 0.829 52 Q CB -0.235 28.540 28.738 0.062 0.000 0.894 52 Q HN 0.699 nan 8.270 nan 0.000 0.433 53 Y N 0.993 121.295 120.300 0.004 0.000 2.081 53 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 53 Y C 1.919 177.901 175.900 0.137 0.000 1.163 53 Y CA 1.876 60.018 58.100 0.071 0.000 1.135 53 Y CB -0.203 38.397 38.460 0.234 0.000 0.970 53 Y HN 0.115 nan 8.280 nan 0.000 0.498 54 L N -0.199 121.268 121.223 0.408 0.000 2.141 54 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 54 L C 2.181 179.176 176.870 0.208 0.000 1.094 54 L CA 1.503 56.566 54.840 0.372 0.000 0.763 54 L CB -0.607 41.588 42.059 0.228 0.000 0.908 54 L HN 0.266 nan 8.230 nan 0.000 0.437 55 N N -0.564 118.184 118.700 0.080 0.000 2.188 55 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 55 N C 1.609 177.070 175.510 -0.082 0.000 1.018 55 N CA 1.848 54.903 53.050 0.009 0.000 0.858 55 N CB 0.092 38.577 38.487 -0.004 0.000 0.989 55 N HN 0.186 nan 8.380 nan 0.000 0.426 56 T N -1.121 113.277 114.554 -0.261 0.000 2.866 56 T HA 0.077 4.427 4.350 -0.000 0.000 0.250 56 T C 1.172 175.654 174.700 -0.364 0.000 1.033 56 T CA 0.775 62.611 62.100 -0.441 0.000 1.145 56 T CB -0.347 67.966 68.868 -0.924 0.000 0.866 56 T HN 0.109 nan 8.240 nan 0.000 0.434 57 F N -0.282 119.604 119.950 -0.107 0.000 2.569 57 F HA 0.317 4.844 4.527 -0.000 0.000 0.295 57 F C 1.319 176.843 175.800 -0.461 0.000 1.115 57 F CA -0.492 57.345 58.000 -0.271 0.000 1.450 57 F CB -0.413 38.421 39.000 -0.277 0.000 1.107 57 F HN 0.172 nan 8.300 nan 0.000 0.563 58 Y N -1.250 119.128 120.300 0.130 0.000 2.471 58 Y HA 0.444 4.994 4.550 -0.000 0.000 0.249 58 Y C 1.859 177.786 175.900 0.045 0.000 1.116 58 Y CA -0.001 58.155 58.100 0.093 0.000 1.240 58 Y CB 0.620 39.162 38.460 0.138 0.000 1.251 58 Y HN 0.051 nan 8.280 nan 0.000 0.527 59 G N 0.347 109.208 108.800 0.101 0.000 2.176 59 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.253 59 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.253 59 G C 0.492 175.431 174.900 0.066 0.000 0.979 59 G CA -0.096 45.031 45.100 0.045 0.000 0.641 59 G HN 0.534 nan 8.290 nan 0.000 0.530 60 c N 0.422 119.083 118.600 0.102 0.000 2.648 60 c HA 0.594 5.164 4.570 -0.000 0.000 0.419 60 c C -1.092 173.030 174.090 0.053 0.000 1.352 60 c CA -2.178 54.199 56.329 0.080 0.000 1.816 60 c CB 0.235 42.799 42.510 0.091 0.000 2.598 60 c HN 0.332 nan 8.230 nan 0.000 0.598 61 P HA 0.092 nan 4.420 nan 0.000 0.265 61 P C 0.457 177.772 177.300 0.025 0.000 1.187 61 P CA 0.342 63.459 63.100 0.028 0.000 0.766 61 P CB 0.527 32.244 31.700 0.028 0.000 0.820 62 K N 2.257 122.666 120.400 0.015 0.000 2.059 62 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 62 K C 1.724 178.333 176.600 0.015 0.000 1.050 62 K CA 1.791 58.086 56.287 0.013 0.000 0.927 62 K CB -0.263 32.240 32.500 0.005 0.000 0.714 62 K HN 0.509 nan 8.250 nan 0.000 0.447 63 E N 0.141 120.349 120.200 0.013 0.000 2.033 63 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 63 E C 1.827 178.436 176.600 0.015 0.000 0.979 63 E CA 1.449 57.857 56.400 0.012 0.000 0.802 63 E CB -0.519 29.187 29.700 0.010 0.000 0.763 63 E HN 0.343 nan 8.360 nan 0.000 0.449 64 S N 0.031 115.744 115.700 0.021 0.000 2.710 64 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 64 S C 0.789 175.408 174.600 0.031 0.000 0.948 64 S CA -0.492 57.724 58.200 0.026 0.000 0.949 64 S CB -0.749 62.471 63.200 0.032 0.000 0.778 64 S HN 0.181 nan 8.310 nan 0.000 0.498 65 c N 4.004 122.622 118.600 0.030 0.000 2.145 65 c HA 0.681 5.250 4.570 -0.000 0.000 0.374 65 c C 0.184 174.287 174.090 0.021 0.000 1.035 65 c CA -0.581 55.769 56.329 0.036 0.000 1.431 65 c CB -2.405 40.131 42.510 0.044 0.000 1.789 65 c HN 0.890 nan 8.230 nan 0.000 0.483 66 N N 2.802 121.509 118.700 0.012 0.000 3.364 66 N HA 0.353 5.093 4.740 -0.000 0.000 0.294 66 N C 0.335 175.814 175.510 -0.053 0.000 1.562 66 N CA -0.756 52.281 53.050 -0.020 0.000 0.862 66 N CB -0.136 38.331 38.487 -0.032 0.000 1.691 66 N HN 0.112 nan 8.380 nan 0.000 0.572 67 L N -0.819 120.323 121.223 -0.134 0.000 2.434 67 L HA -0.317 4.023 4.340 -0.000 0.000 0.244 67 L C 1.392 178.105 176.870 -0.262 0.000 1.169 67 L CA 2.405 57.070 54.840 -0.292 0.000 0.804 67 L CB -1.420 40.335 42.059 -0.507 0.000 1.020 67 L HN 0.690 nan 8.230 nan 0.000 0.414 68 F N -1.845 118.114 119.950 0.015 0.000 2.219 68 F HA 0.013 4.540 4.527 -0.000 0.000 0.294 68 F C 2.293 178.104 175.800 0.019 0.000 1.086 68 F CA 1.057 59.066 58.000 0.015 0.000 1.330 68 F CB -1.057 37.952 39.000 0.015 0.000 1.047 68 F HN -0.009 nan 8.300 nan 0.000 0.495 69 V N 0.344 120.368 119.914 0.183 0.000 2.343 69 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 69 V C 2.424 178.573 176.094 0.091 0.000 1.051 69 V CA 1.590 63.962 62.300 0.121 0.000 1.036 69 V CB -0.766 31.111 31.823 0.091 0.000 0.654 69 V HN 0.308 nan 8.190 nan 0.000 0.451 70 L N -0.020 121.242 121.223 0.065 0.000 2.079 70 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 70 L C 2.321 179.221 176.870 0.050 0.000 1.081 70 L CA 1.993 56.861 54.840 0.046 0.000 0.752 70 L CB -0.686 41.385 42.059 0.020 0.000 0.896 70 L HN 0.191 nan 8.230 nan 0.000 0.433 71 K N -0.144 120.300 120.400 0.073 0.000 1.973 71 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 71 K C 1.647 178.290 176.600 0.072 0.000 1.047 71 K CA 1.905 58.242 56.287 0.083 0.000 0.937 71 K CB -0.377 32.212 32.500 0.148 0.000 0.721 71 K HN 0.654 nan 8.250 nan 0.000 0.440 72 D N -1.038 119.415 120.400 0.088 0.000 2.363 72 D HA -0.063 4.577 4.640 -0.000 0.000 0.226 72 D C 1.096 177.429 176.300 0.055 0.000 1.020 72 D CA 0.866 54.906 54.000 0.065 0.000 0.892 72 D CB 0.282 41.120 40.800 0.064 0.000 0.900 72 D HN -0.010 nan 8.370 nan 0.000 0.531 73 T N -0.231 114.355 114.554 0.054 0.000 3.031 73 T HA 0.078 4.428 4.350 -0.000 0.000 0.254 73 T C 1.492 176.178 174.700 -0.024 0.000 1.060 73 T CA -0.153 61.975 62.100 0.046 0.000 1.135 73 T CB 0.037 68.950 68.868 0.075 0.000 0.896 73 T HN 0.052 nan 8.240 nan 0.000 0.472 74 L N 1.964 123.179 121.223 -0.014 0.000 2.046 74 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 74 L C 2.227 179.065 176.870 -0.053 0.000 1.077 74 L CA 1.729 56.540 54.840 -0.048 0.000 0.747 74 L CB -0.758 41.293 42.059 -0.014 0.000 0.896 74 L HN 0.200 nan 8.230 nan 0.000 0.432 75 K N -0.607 119.787 120.400 -0.011 0.000 2.147 75 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 75 K C 2.032 178.638 176.600 0.009 0.000 1.049 75 K CA 0.877 57.168 56.287 0.008 0.000 0.936 75 K CB -0.047 32.468 32.500 0.026 0.000 0.722 75 K HN 0.333 nan 8.250 nan 0.000 0.446 76 K N 0.749 121.146 120.400 -0.004 0.000 2.057 76 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 76 K C 2.265 178.865 176.600 -0.000 0.000 1.049 76 K CA 1.784 58.098 56.287 0.044 0.000 0.931 76 K CB -0.121 32.444 32.500 0.109 0.000 0.714 76 K HN 0.141 nan 8.250 nan 0.000 0.440 77 M N 0.236 119.640 119.600 -0.327 0.000 2.193 77 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 77 M C 1.724 178.080 176.300 0.093 0.000 1.071 77 M CA 1.568 56.598 55.300 -0.450 0.000 1.140 77 M CB -0.334 31.693 32.600 -0.956 0.000 1.369 77 M HN -0.054 nan 8.290 nan 0.000 0.423 78 Q N 0.612 120.438 119.800 0.042 0.000 2.135 78 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 78 Q C 2.226 178.307 176.000 0.135 0.000 0.981 78 Q CA 2.035 57.903 55.803 0.109 0.000 0.856 78 Q CB -0.354 28.411 28.738 0.045 0.000 0.902 78 Q HN 0.716 nan 8.270 nan 0.000 0.425 79 K N 0.136 120.598 120.400 0.103 0.000 2.062 79 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 79 K C 1.793 178.438 176.600 0.074 0.000 1.051 79 K CA 0.868 57.203 56.287 0.081 0.000 0.941 79 K CB -0.160 32.383 32.500 0.071 0.000 0.719 79 K HN 0.078 nan 8.250 nan 0.000 0.440 80 F N 0.547 120.469 119.950 -0.047 0.000 2.065 80 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 80 F C 1.250 176.882 175.800 -0.279 0.000 1.112 80 F CA 1.656 59.542 58.000 -0.191 0.000 1.212 80 F CB -0.160 38.670 39.000 -0.284 0.000 0.975 80 F HN -0.017 nan 8.300 nan 0.000 0.476 81 F N 0.646 120.799 119.950 0.337 0.000 2.773 81 F HA 0.286 4.813 4.527 -0.000 0.000 0.304 81 F C 1.725 177.567 175.800 0.070 0.000 1.129 81 F CA 0.486 58.606 58.000 0.200 0.000 1.378 81 F CB -0.692 38.425 39.000 0.195 0.000 1.095 81 F HN 0.132 nan 8.300 nan 0.000 0.565 82 G N 1.243 110.127 108.800 0.140 0.000 2.246 82 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.273 82 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.273 82 G C 0.042 174.996 174.900 0.089 0.000 1.055 82 G CA -0.080 45.067 45.100 0.078 0.000 0.851 82 G HN 0.334 nan 8.290 nan 0.000 0.500 83 L N -1.150 120.141 121.223 0.113 0.000 2.416 83 L HA 0.394 4.734 4.340 -0.000 0.000 0.262 83 L C -0.477 176.423 176.870 0.051 0.000 1.093 83 L CA -2.365 52.522 54.840 0.078 0.000 0.801 83 L CB 1.050 43.160 42.059 0.086 0.000 1.191 83 L HN -0.135 nan 8.230 nan 0.000 0.459 84 P HA -0.245 nan 4.420 nan 0.000 0.220 84 P C 0.181 177.496 177.300 0.025 0.000 1.142 84 P CA 0.982 64.097 63.100 0.024 0.000 0.801 84 P CB 0.014 31.724 31.700 0.017 0.000 0.764 85 Q N -1.967 117.851 119.800 0.030 0.000 2.487 85 Q HA -0.228 4.111 4.340 -0.000 0.000 0.279 85 Q C 0.835 176.848 176.000 0.022 0.000 1.228 85 Q CA 0.846 56.665 55.803 0.028 0.000 0.873 85 Q CB -1.872 26.884 28.738 0.029 0.000 1.260 85 Q HN 0.409 nan 8.270 nan 0.000 0.471 86 T N -5.185 109.380 114.554 0.019 0.000 2.904 86 T HA 0.182 4.532 4.350 -0.000 0.000 0.267 86 T C 1.630 176.344 174.700 0.023 0.000 1.059 86 T CA 1.257 63.368 62.100 0.018 0.000 1.137 86 T CB 0.122 68.999 68.868 0.014 0.000 0.879 86 T HN 1.175 nan 8.240 nan 0.000 0.467 87 G N 1.373 110.186 108.800 0.021 0.000 2.199 87 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.254 87 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.254 87 G C -0.177 174.737 174.900 0.025 0.000 0.982 87 G CA 0.250 45.367 45.100 0.028 0.000 0.632 87 G HN 0.647 nan 8.290 nan 0.000 0.529 88 D N -0.351 120.059 120.400 0.015 0.000 2.487 88 D HA 0.537 5.177 4.640 -0.000 0.000 0.262 88 D C -0.167 176.131 176.300 -0.004 0.000 1.130 88 D CA -0.708 53.297 54.000 0.009 0.000 1.038 88 D CB 1.339 42.144 40.800 0.009 0.000 1.142 88 D HN 0.089 nan 8.370 nan 0.000 0.575 89 L N 2.087 123.305 121.223 -0.008 0.000 2.260 89 L HA 0.234 4.574 4.340 -0.000 0.000 0.289 89 L C -0.617 176.243 176.870 -0.018 0.000 1.057 89 L CA 0.004 54.834 54.840 -0.017 0.000 0.811 89 L CB -0.199 41.852 42.059 -0.014 0.000 1.184 89 L HN 0.334 nan 8.230 nan 0.000 0.429 90 D N 2.415 122.800 120.400 -0.025 0.000 2.661 90 D HA 0.093 4.733 4.640 -0.000 0.000 0.228 90 D C 0.214 176.497 176.300 -0.027 0.000 1.183 90 D CA -0.540 53.449 54.000 -0.020 0.000 0.844 90 D CB 1.237 42.030 40.800 -0.012 0.000 1.555 90 D HN 0.288 nan 8.370 nan 0.000 0.453 91 Q N 0.991 120.778 119.800 -0.021 0.000 2.207 91 Q HA -0.300 4.040 4.340 -0.000 0.000 0.215 91 Q C 1.363 177.343 176.000 -0.032 0.000 1.006 91 Q CA 2.295 58.084 55.803 -0.023 0.000 0.903 91 Q CB -0.413 28.316 28.738 -0.014 0.000 0.947 91 Q HN 0.535 nan 8.270 nan 0.000 0.414 92 N N -1.390 117.294 118.700 -0.027 0.000 2.084 92 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 92 N C 1.597 177.075 175.510 -0.055 0.000 1.030 92 N CA 1.999 55.031 53.050 -0.030 0.000 0.849 92 N CB -0.468 38.011 38.487 -0.014 0.000 1.012 92 N HN 0.603 nan 8.380 nan 0.000 0.423 93 T N -1.336 113.180 114.554 -0.062 0.000 3.054 93 T HA 0.152 4.502 4.350 -0.000 0.000 0.259 93 T C 2.104 176.712 174.700 -0.154 0.000 1.092 93 T CA 0.188 62.225 62.100 -0.105 0.000 1.121 93 T CB -0.031 68.787 68.868 -0.083 0.000 0.912 93 T HN 0.093 nan 8.240 nan 0.000 0.489 94 I N 1.978 122.484 120.570 -0.107 0.000 2.193 94 I HA -0.051 4.119 4.170 -0.000 0.000 0.240 94 I C 2.794 178.846 176.117 -0.108 0.000 1.084 94 I CA 1.774 63.012 61.300 -0.103 0.000 1.365 94 I CB -0.426 37.541 38.000 -0.056 0.000 1.064 94 I HN 0.473 nan 8.210 nan 0.000 0.410 95 E N 0.597 120.747 120.200 -0.082 0.000 2.333 95 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 95 E C 1.722 178.259 176.600 -0.104 0.000 1.007 95 E CA 1.513 57.871 56.400 -0.070 0.000 0.845 95 E CB -0.250 29.423 29.700 -0.046 0.000 0.766 95 E HN 0.359 nan 8.360 nan 0.000 0.507 96 T N 0.656 115.114 114.554 -0.159 0.000 2.937 96 T HA 0.080 4.430 4.350 -0.000 0.000 0.260 96 T C 1.658 176.164 174.700 -0.324 0.000 1.051 96 T CA 0.851 62.809 62.100 -0.237 0.000 1.141 96 T CB -0.067 68.629 68.868 -0.286 0.000 0.879 96 T HN 0.161 nan 8.240 nan 0.000 0.459 97 M N 0.692 120.060 119.600 -0.387 0.000 2.460 97 M HA 0.054 4.534 4.480 -0.000 0.000 0.263 97 M C 1.653 177.878 176.300 -0.124 0.000 1.071 97 M CA 1.146 56.112 55.300 -0.557 0.000 1.096 97 M CB -0.023 32.151 32.600 -0.711 0.000 1.408 97 M HN 0.012 nan 8.290 nan 0.000 0.463 98 R N -0.107 120.347 120.500 -0.076 0.000 2.356 98 R HA 0.135 4.475 4.340 -0.000 0.000 0.234 98 R C -0.196 176.110 176.300 0.011 0.000 0.929 98 R CA 0.105 56.209 56.100 0.007 0.000 1.084 98 R CB 0.034 30.332 30.300 -0.004 0.000 1.105 98 R HN 0.215 nan 8.270 nan 0.000 0.515 99 K N 1.698 122.093 120.400 -0.008 0.000 2.205 99 K HA 0.213 4.533 4.320 -0.000 0.000 0.279 99 K C -2.464 174.147 176.600 0.018 0.000 1.027 99 K CA -2.022 54.266 56.287 0.002 0.000 0.932 99 K CB 0.943 33.420 32.500 -0.038 0.000 1.032 99 K HN -0.222 nan 8.250 nan 0.000 0.466 100 P HA -0.042 nan 4.420 nan 0.000 0.264 100 P C -1.116 176.136 177.300 -0.080 0.000 1.193 100 P CA 0.228 63.287 63.100 -0.069 0.000 0.763 100 P CB 0.585 32.274 31.700 -0.018 0.000 0.810 101 R N 2.032 122.436 120.500 -0.159 0.000 2.781 101 R HA 0.645 4.985 4.340 -0.000 0.000 0.268 101 R C -1.089 175.064 176.300 -0.245 0.000 1.047 101 R CA -0.934 55.056 56.100 -0.183 0.000 0.925 101 R CB -0.052 30.126 30.300 -0.204 0.000 1.246 101 R HN 0.365 nan 8.270 nan 0.000 0.456 102 C N 0.740 119.889 119.300 -0.252 0.000 2.676 102 C HA 0.495 4.955 4.460 -0.000 0.000 0.416 102 C C 1.767 176.728 174.990 -0.049 0.000 1.299 102 C CA 0.687 59.613 59.018 -0.154 0.000 2.048 102 C CB 0.043 27.747 27.740 -0.060 0.000 2.713 102 C HN 0.933 nan 8.230 nan 0.000 0.624 103 G N 3.825 112.681 108.800 0.093 0.000 3.181 103 G HA2 0.098 4.058 3.960 -0.000 0.000 0.219 103 G HA3 0.098 4.058 3.960 -0.000 0.000 0.219 103 G C 0.219 175.330 174.900 0.351 0.000 1.182 103 G CA -0.051 45.241 45.100 0.321 0.000 0.791 103 G HN 0.783 nan 8.290 nan 0.000 0.537 104 N N 0.796 119.649 118.700 0.255 0.000 2.509 104 N HA 0.430 5.170 4.740 -0.000 0.000 0.287 104 N C -2.573 173.021 175.510 0.140 0.000 1.121 104 N CA -1.400 51.710 53.050 0.100 0.000 0.977 104 N CB 1.715 40.209 38.487 0.012 0.000 1.167 104 N HN -0.097 nan 8.380 nan 0.000 0.476 105 P HA 0.096 nan 4.420 nan 0.000 0.269 105 P C -0.353 176.849 177.300 -0.163 0.000 1.215 105 P CA 0.011 63.069 63.100 -0.070 0.000 0.780 105 P CB 0.676 32.262 31.700 -0.191 0.000 0.898 106 D N -0.169 119.986 120.400 -0.408 0.000 2.366 106 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 106 D C 0.357 176.433 176.300 -0.373 0.000 1.022 106 D CA 0.659 54.321 54.000 -0.563 0.000 0.868 106 D CB 0.097 40.115 40.800 -1.304 0.000 0.953 106 D HN 0.174 nan 8.370 nan 0.000 0.514 107 V N -0.746 118.956 119.914 -0.354 0.000 2.481 107 V HA 0.667 4.786 4.120 -0.000 0.000 0.286 107 V C 0.606 176.656 176.094 -0.072 0.000 1.042 107 V CA -1.613 60.608 62.300 -0.131 0.000 0.928 107 V CB 1.172 32.947 31.823 -0.081 0.000 0.986 107 V HN 0.041 nan 8.190 nan 0.000 0.462 108 A N 4.535 127.354 122.820 -0.002 0.000 2.858 108 A HA -0.057 4.263 4.320 -0.000 0.000 0.290 108 A C 1.782 179.378 177.584 0.020 0.000 1.683 108 A CA 0.851 52.902 52.037 0.023 0.000 1.180 108 A CB -1.264 17.767 19.000 0.050 0.000 0.954 108 A HN 1.240 nan 8.150 nan 0.000 0.592 109 N N 1.857 120.526 118.700 -0.050 0.000 2.073 109 N HA -0.281 4.458 4.740 -0.000 0.000 0.199 109 N C 0.750 176.138 175.510 -0.203 0.000 1.023 109 N CA 2.905 55.837 53.050 -0.196 0.000 0.880 109 N CB -0.490 37.785 38.487 -0.353 0.000 1.052 109 N HN 0.634 nan 8.380 nan 0.000 0.449 110 Y N 0.197 120.489 120.300 -0.012 0.000 2.812 110 Y HA 0.362 4.912 4.550 -0.000 0.000 0.212 110 Y C 0.959 176.901 175.900 0.070 0.000 0.996 110 Y CA -0.259 57.855 58.100 0.024 0.000 1.504 110 Y CB -0.592 37.876 38.460 0.013 0.000 1.086 110 Y HN 0.281 nan 8.280 nan 0.000 0.537 111 N N -0.340 118.582 118.700 0.370 0.000 2.591 111 N HA 0.186 4.926 4.740 -0.000 0.000 0.263 111 N C -1.034 174.708 175.510 0.386 0.000 1.308 111 N CA -0.857 52.415 53.050 0.369 0.000 0.837 111 N CB 0.717 39.435 38.487 0.386 0.000 1.548 111 N HN 0.222 nan 8.380 nan 0.000 0.493 112 F N -0.312 119.672 119.950 0.057 0.000 2.586 112 F HA 0.592 5.119 4.527 -0.000 0.000 0.344 112 F C 0.135 175.997 175.800 0.104 0.000 1.188 112 F CA -1.198 56.830 58.000 0.047 0.000 1.359 112 F CB -0.249 38.761 39.000 0.017 0.000 1.129 112 F HN 0.511 nan 8.300 nan 0.000 0.609 113 F N 1.226 121.058 119.950 -0.196 0.000 3.043 113 F HA 0.538 5.065 4.527 -0.000 0.000 0.357 113 F C -1.695 173.983 175.800 -0.203 0.000 1.302 113 F CA -1.802 56.017 58.000 -0.301 0.000 1.069 113 F CB -0.027 38.831 39.000 -0.236 0.000 1.539 113 F HN 0.266 nan 8.300 nan 0.000 0.505 114 P HA -0.085 nan 4.420 nan 0.000 0.218 114 P C -0.660 176.514 177.300 -0.211 0.000 1.152 114 P CA 1.610 64.334 63.100 -0.625 0.000 0.857 114 P CB 0.095 31.373 31.700 -0.703 0.000 0.787 115 R N -2.609 117.860 120.500 -0.051 0.000 2.712 115 R HA 0.283 4.623 4.340 -0.000 0.000 0.272 115 R C -0.527 175.782 176.300 0.015 0.000 1.032 115 R CA -0.913 55.179 56.100 -0.013 0.000 0.874 115 R CB 0.669 30.944 30.300 -0.040 0.000 1.256 115 R HN -0.088 nan 8.270 nan 0.000 0.468 116 K N 2.047 122.442 120.400 -0.009 0.000 2.448 116 K HA 0.155 4.475 4.320 -0.000 0.000 0.278 116 K C -2.104 174.438 176.600 -0.096 0.000 1.009 116 K CA -1.154 55.110 56.287 -0.039 0.000 0.995 116 K CB 0.061 32.534 32.500 -0.046 0.000 0.917 116 K HN 0.163 nan 8.250 nan 0.000 0.481 117 P HA -0.052 nan 4.420 nan 0.000 0.262 117 P C -1.041 176.091 177.300 -0.280 0.000 1.182 117 P CA 0.462 63.428 63.100 -0.223 0.000 0.761 117 P CB 0.437 31.982 31.700 -0.259 0.000 0.795 118 K N 3.253 123.451 120.400 -0.336 0.000 2.561 118 K HA 0.219 4.539 4.320 -0.000 0.000 0.254 118 K C -1.321 175.117 176.600 -0.270 0.000 0.942 118 K CA -0.734 55.352 56.287 -0.334 0.000 0.818 118 K CB 0.941 33.277 32.500 -0.273 0.000 1.306 118 K HN 0.249 nan 8.250 nan 0.000 0.435 119 W N 3.568 124.901 121.300 0.056 0.000 2.210 119 W HA 0.036 4.696 4.660 -0.000 0.000 0.330 119 W C 0.828 177.372 176.519 0.042 0.000 1.334 119 W CA -0.129 57.267 57.345 0.085 0.000 1.227 119 W CB 0.538 30.096 29.460 0.163 0.000 1.178 119 W HN 0.606 nan 8.180 nan 0.000 0.560 120 D N 1.828 122.397 120.400 0.283 0.000 2.676 120 D HA 0.079 4.719 4.640 -0.000 0.000 0.239 120 D C -0.318 176.071 176.300 0.147 0.000 1.213 120 D CA -0.330 53.762 54.000 0.153 0.000 0.835 120 D CB -0.347 40.515 40.800 0.103 0.000 1.009 120 D HN 0.423 nan 8.370 nan 0.000 0.479 121 K N -1.812 118.703 120.400 0.192 0.000 2.625 121 K HA 0.335 4.655 4.320 -0.000 0.000 0.284 121 K C -0.771 175.879 176.600 0.083 0.000 0.984 121 K CA -0.920 55.425 56.287 0.098 0.000 0.865 121 K CB 0.516 33.040 32.500 0.039 0.000 1.468 121 K HN -0.286 nan 8.250 nan 0.000 0.407 122 N N 0.268 118.967 118.700 -0.002 0.000 2.322 122 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 122 N C -0.590 174.780 175.510 -0.234 0.000 1.088 122 N CA 0.387 53.392 53.050 -0.075 0.000 0.885 122 N CB 0.431 38.896 38.487 -0.036 0.000 1.013 122 N HN 0.466 nan 8.380 nan 0.000 0.472 123 Q N 1.324 121.008 119.800 -0.194 0.000 2.389 123 Q HA 0.227 4.567 4.340 -0.000 0.000 0.244 123 Q C -0.416 175.392 176.000 -0.320 0.000 1.056 123 Q CA 0.146 55.804 55.803 -0.241 0.000 0.908 123 Q CB 1.203 29.851 28.738 -0.150 0.000 1.273 123 Q HN 0.090 nan 8.270 nan 0.000 0.471 124 I N 2.907 123.201 120.570 -0.460 0.000 2.362 124 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 124 I C 0.750 176.682 176.117 -0.309 0.000 0.994 124 I CA -0.537 60.467 61.300 -0.494 0.000 1.158 124 I CB 1.258 38.876 38.000 -0.637 0.000 1.315 124 I HN 0.386 nan 8.210 nan 0.000 0.451 125 T N 4.287 118.672 114.554 -0.280 0.000 2.882 125 T HA 0.662 5.012 4.350 -0.000 0.000 0.287 125 T C -0.629 173.966 174.700 -0.174 0.000 0.992 125 T CA -0.472 61.492 62.100 -0.227 0.000 1.076 125 T CB 1.357 70.107 68.868 -0.196 0.000 0.961 125 T HN 0.467 nan 8.240 nan 0.000 0.490 126 Y N 0.209 120.348 120.300 -0.269 0.000 2.492 126 Y HA 0.763 5.312 4.550 -0.000 0.000 0.346 126 Y C -0.670 175.124 175.900 -0.177 0.000 0.997 126 Y CA -1.671 56.279 58.100 -0.251 0.000 1.025 126 Y CB 1.728 39.927 38.460 -0.436 0.000 1.263 126 Y HN 0.965 nan 8.280 nan 0.000 0.454 127 R N 4.792 125.314 120.500 0.036 0.000 2.502 127 R HA 0.601 4.941 4.340 -0.000 0.000 0.300 127 R C -1.742 174.565 176.300 0.012 0.000 0.984 127 R CA -0.979 55.086 56.100 -0.058 0.000 0.882 127 R CB 1.320 31.576 30.300 -0.074 0.000 1.180 127 R HN 0.963 nan 8.270 nan 0.000 0.444 128 I N 6.643 127.202 120.570 -0.019 0.000 2.363 128 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 128 I C 0.132 176.197 176.117 -0.086 0.000 1.075 128 I CA -0.058 61.178 61.300 -0.106 0.000 1.333 128 I CB 0.755 38.657 38.000 -0.164 0.000 1.415 128 I HN 0.807 nan 8.210 nan 0.000 0.502 129 I N 4.599 125.148 120.570 -0.035 0.000 3.936 129 I HA 0.725 4.895 4.170 -0.000 0.000 0.330 129 I C 0.330 176.499 176.117 0.086 0.000 1.509 129 I CA -0.208 61.117 61.300 0.043 0.000 1.126 129 I CB -0.107 37.938 38.000 0.076 0.000 1.115 129 I HN 0.716 nan 8.210 nan 0.000 0.424 130 G N 0.492 109.313 108.800 0.036 0.000 2.717 130 G HA2 0.470 4.430 3.960 -0.000 0.000 0.300 130 G HA3 0.470 4.430 3.960 -0.000 0.000 0.300 130 G C -1.836 173.118 174.900 0.090 0.000 1.424 130 G CA -0.349 44.851 45.100 0.167 0.000 1.033 130 G HN 0.065 nan 8.290 nan 0.000 0.577 131 Y N 0.079 120.366 120.300 -0.023 0.000 2.719 131 Y HA 0.850 5.400 4.550 -0.000 0.000 0.335 131 Y C 0.848 176.256 175.900 -0.820 0.000 1.198 131 Y CA -0.712 57.201 58.100 -0.313 0.000 1.274 131 Y CB 2.140 40.480 38.460 -0.201 0.000 1.500 131 Y HN 0.525 nan 8.280 nan 0.000 0.616 132 T N 1.007 115.180 114.554 -0.635 0.000 2.879 132 T HA 0.343 4.693 4.350 -0.000 0.000 0.290 132 T C -2.388 172.205 174.700 -0.177 0.000 0.993 132 T CA -2.212 59.542 62.100 -0.576 0.000 0.975 132 T CB 1.175 69.558 68.868 -0.809 0.000 0.981 132 T HN 0.209 nan 8.240 nan 0.000 0.439 133 P HA -0.085 nan 4.420 nan 0.000 0.218 133 P C 0.928 178.219 177.300 -0.015 0.000 1.146 133 P CA 0.945 64.022 63.100 -0.038 0.000 0.820 133 P CB 0.194 31.873 31.700 -0.035 0.000 0.778 134 D N -1.102 119.308 120.400 0.016 0.000 2.264 134 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 134 D C 0.766 177.096 176.300 0.049 0.000 0.966 134 D CA 0.991 55.021 54.000 0.050 0.000 0.864 134 D CB 0.153 41.024 40.800 0.120 0.000 0.933 134 D HN 0.256 nan 8.370 nan 0.000 0.499 135 L N 1.393 122.634 121.223 0.030 0.000 2.422 135 L HA 0.196 4.536 4.340 -0.000 0.000 0.264 135 L C -0.018 176.886 176.870 0.057 0.000 0.984 135 L CA -1.160 53.709 54.840 0.048 0.000 0.819 135 L CB 2.633 44.709 42.059 0.028 0.000 1.330 135 L HN -0.122 nan 8.230 nan 0.000 0.410 136 D N 1.689 122.140 120.400 0.086 0.000 2.368 136 D HA 0.055 4.695 4.640 -0.000 0.000 0.240 136 D C -2.118 174.229 176.300 0.079 0.000 1.169 136 D CA -1.247 52.791 54.000 0.064 0.000 0.906 136 D CB 1.287 42.124 40.800 0.061 0.000 1.187 136 D HN 0.185 nan 8.370 nan 0.000 0.435 137 P HA -0.205 nan 4.420 nan 0.000 0.216 137 P C 1.120 178.543 177.300 0.206 0.000 1.154 137 P CA 1.619 64.713 63.100 -0.010 0.000 0.865 137 P CB 0.148 31.820 31.700 -0.047 0.000 0.789 138 E N -1.308 118.976 120.200 0.140 0.000 2.072 138 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 138 E C 1.982 178.669 176.600 0.144 0.000 0.982 138 E CA 1.297 57.783 56.400 0.145 0.000 0.803 138 E CB -0.884 28.862 29.700 0.078 0.000 0.755 138 E HN 0.240 nan 8.360 nan 0.000 0.453 139 T N 1.497 116.132 114.554 0.134 0.000 2.684 139 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 139 T C 2.194 176.931 174.700 0.061 0.000 1.036 139 T CA 1.162 63.343 62.100 0.134 0.000 1.148 139 T CB -0.244 68.738 68.868 0.191 0.000 0.863 139 T HN -0.043 nan 8.240 nan 0.000 0.436 140 V N 1.720 121.674 119.914 0.068 0.000 2.261 140 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 140 V C 2.380 178.441 176.094 -0.056 0.000 1.047 140 V CA 1.915 64.172 62.300 -0.072 0.000 1.015 140 V CB -0.676 31.207 31.823 0.100 0.000 0.642 140 V HN 0.394 nan 8.190 nan 0.000 0.446 141 D N -0.078 120.463 120.400 0.235 0.000 2.116 141 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 141 D C 2.072 178.522 176.300 0.250 0.000 0.998 141 D CA 1.702 55.899 54.000 0.329 0.000 0.836 141 D CB -0.367 40.647 40.800 0.357 0.000 0.951 141 D HN 0.561 nan 8.370 nan 0.000 0.449 142 D N 0.059 120.554 120.400 0.158 0.000 2.144 142 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 142 D C 1.923 178.281 176.300 0.096 0.000 0.978 142 D CA 1.217 55.298 54.000 0.135 0.000 0.833 142 D CB 0.041 40.900 40.800 0.097 0.000 0.961 142 D HN 0.132 nan 8.370 nan 0.000 0.470 143 A N 0.436 123.243 122.820 -0.022 0.000 1.865 143 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 143 A C 2.106 179.712 177.584 0.037 0.000 1.191 143 A CA 1.419 53.417 52.037 -0.065 0.000 0.623 143 A CB -1.252 17.561 19.000 -0.310 0.000 0.826 143 A HN 0.262 nan 8.150 nan 0.000 0.444 144 F N 0.312 120.332 119.950 0.117 0.000 2.126 144 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 144 F C 2.828 178.759 175.800 0.219 0.000 1.096 144 F CA 0.659 58.752 58.000 0.155 0.000 1.255 144 F CB -1.072 38.008 39.000 0.133 0.000 0.997 144 F HN 0.267 nan 8.300 nan 0.000 0.479 145 A N 0.372 123.436 122.820 0.405 0.000 1.883 145 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 145 A C 2.359 180.136 177.584 0.323 0.000 1.186 145 A CA 1.795 54.056 52.037 0.372 0.000 0.624 145 A CB -0.694 18.491 19.000 0.309 0.000 0.822 145 A HN 0.345 nan 8.150 nan 0.000 0.444 146 R N -0.725 119.942 120.500 0.278 0.000 2.148 146 R HA 0.054 4.394 4.340 -0.000 0.000 0.223 146 R C 2.338 178.937 176.300 0.499 0.000 1.088 146 R CA 0.900 57.163 56.100 0.273 0.000 0.985 146 R CB -0.345 29.984 30.300 0.048 0.000 0.880 146 R HN 0.516 nan 8.270 nan 0.000 0.451 147 A N 0.535 123.645 122.820 0.482 0.000 1.968 147 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 147 A C 1.697 179.379 177.584 0.163 0.000 1.169 147 A CA 0.921 53.077 52.037 0.199 0.000 0.638 147 A CB -0.365 18.622 19.000 -0.021 0.000 0.812 147 A HN 0.141 nan 8.150 nan 0.000 0.446 148 F N -0.075 119.963 119.950 0.145 0.000 2.146 148 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 148 F C 2.581 178.369 175.800 -0.019 0.000 1.096 148 F CA 1.621 59.461 58.000 -0.266 0.000 1.275 148 F CB -0.657 37.898 39.000 -0.743 0.000 1.008 148 F HN 0.297 nan 8.300 nan 0.000 0.480 149 Q N 0.458 120.430 119.800 0.287 0.000 2.096 149 Q HA -0.233 4.107 4.340 -0.000 0.000 0.208 149 Q C 2.307 178.436 176.000 0.215 0.000 0.993 149 Q CA 2.493 58.453 55.803 0.263 0.000 0.862 149 Q CB -0.390 28.482 28.738 0.223 0.000 0.915 149 Q HN 0.266 nan 8.270 nan 0.000 0.416 150 V N -0.400 119.602 119.914 0.146 0.000 2.313 150 V HA -0.317 3.803 4.120 -0.000 0.000 0.253 150 V C 1.687 177.697 176.094 -0.139 0.000 1.070 150 V CA 2.430 64.711 62.300 -0.031 0.000 1.057 150 V CB -0.797 30.888 31.823 -0.230 0.000 0.653 150 V HN 0.511 nan 8.190 nan 0.000 0.450 151 W N 0.246 121.660 121.300 0.191 0.000 2.494 151 W HA -0.040 4.620 4.660 -0.000 0.000 0.286 151 W C 2.848 179.516 176.519 0.249 0.000 1.218 151 W CA 0.954 58.424 57.345 0.209 0.000 1.313 151 W CB -0.661 28.927 29.460 0.214 0.000 1.105 151 W HN 0.283 nan 8.180 nan 0.000 0.561 152 S N -0.372 115.647 115.700 0.532 0.000 2.447 152 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 152 S C 1.260 176.004 174.600 0.240 0.000 1.006 152 S CA 1.368 59.806 58.200 0.398 0.000 0.957 152 S CB -0.520 62.952 63.200 0.453 0.000 0.773 152 S HN 0.139 nan 8.310 nan 0.000 0.507 153 D N 1.715 122.238 120.400 0.205 0.000 2.218 153 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 153 D C 1.802 178.176 176.300 0.123 0.000 0.976 153 D CA 1.485 55.567 54.000 0.138 0.000 0.853 153 D CB -0.050 40.812 40.800 0.104 0.000 0.939 153 D HN 0.601 nan 8.370 nan 0.000 0.481 154 V N -2.581 117.424 119.914 0.152 0.000 3.380 154 V HA 0.317 4.437 4.120 -0.000 0.000 0.307 154 V C 0.403 176.599 176.094 0.169 0.000 1.434 154 V CA 0.309 62.694 62.300 0.143 0.000 1.075 154 V CB 0.247 32.154 31.823 0.140 0.000 0.954 154 V HN 0.068 nan 8.190 nan 0.000 0.444 155 T N -3.658 111.001 114.554 0.175 0.000 2.812 155 T HA 0.628 4.978 4.350 -0.000 0.000 0.294 155 T C -2.831 171.935 174.700 0.109 0.000 1.159 155 T CA -1.206 60.992 62.100 0.163 0.000 1.008 155 T CB 1.639 70.612 68.868 0.175 0.000 1.289 155 T HN -0.011 nan 8.240 nan 0.000 0.514 156 P HA 0.281 nan 4.420 nan 0.000 0.249 156 P C 0.100 177.387 177.300 -0.021 0.000 1.241 156 P CA -0.142 62.989 63.100 0.051 0.000 0.781 156 P CB -0.175 31.569 31.700 0.073 0.000 1.088 157 L N 0.587 121.761 121.223 -0.082 0.000 2.453 157 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 157 L C 0.912 177.583 176.870 -0.332 0.000 1.182 157 L CA 0.213 54.862 54.840 -0.318 0.000 0.858 157 L CB 0.237 42.022 42.059 -0.455 0.000 1.120 157 L HN -0.115 nan 8.230 nan 0.000 0.474 158 R N 3.378 123.590 120.500 -0.481 0.000 2.480 158 R HA 0.528 4.868 4.340 -0.000 0.000 0.306 158 R C -1.432 174.556 176.300 -0.520 0.000 0.958 158 R CA -0.536 55.375 56.100 -0.316 0.000 0.861 158 R CB 1.685 31.883 30.300 -0.169 0.000 1.171 158 R HN 0.278 nan 8.270 nan 0.000 0.445 159 F N 0.648 120.539 119.950 -0.098 0.000 2.469 159 F HA 0.465 4.992 4.527 -0.000 0.000 0.332 159 F C 0.293 176.011 175.800 -0.136 0.000 1.103 159 F CA -0.563 57.319 58.000 -0.197 0.000 0.979 159 F CB 2.183 40.956 39.000 -0.378 0.000 1.137 159 F HN 0.349 nan 8.300 nan 0.000 0.463 160 S N 2.100 117.767 115.700 -0.056 0.000 2.542 160 S HA 0.625 5.095 4.470 -0.000 0.000 0.293 160 S C -0.888 173.414 174.600 -0.497 0.000 1.089 160 S CA -1.093 57.005 58.200 -0.170 0.000 0.961 160 S CB 2.312 65.424 63.200 -0.146 0.000 1.062 160 S HN 0.655 nan 8.310 nan 0.000 0.483 161 R N 1.896 122.047 120.500 -0.583 0.000 2.407 161 R HA 0.655 4.995 4.340 -0.000 0.000 0.303 161 R C -0.662 175.408 176.300 -0.384 0.000 0.981 161 R CA -0.670 54.883 56.100 -0.910 0.000 0.905 161 R CB 0.465 30.312 30.300 -0.754 0.000 1.099 161 R HN 0.855 nan 8.270 nan 0.000 0.459 162 I N 0.626 120.983 120.570 -0.356 0.000 2.603 162 I HA 0.382 4.552 4.170 -0.000 0.000 0.300 162 I C -0.672 175.376 176.117 -0.115 0.000 1.017 162 I CA -0.907 60.325 61.300 -0.114 0.000 1.098 162 I CB 2.263 40.201 38.000 -0.103 0.000 1.279 162 I HN 0.745 nan 8.210 nan 0.000 0.437 163 H N 2.057 121.100 119.070 -0.046 0.000 2.586 163 H HA 0.289 4.845 4.556 -0.000 0.000 0.273 163 H C -0.760 174.583 175.328 0.025 0.000 0.997 163 H CA 0.122 56.175 56.048 0.007 0.000 1.177 163 H CB 0.235 30.017 29.762 0.034 0.000 1.471 163 H HN 0.750 nan 8.280 nan 0.000 0.538 164 D N -0.971 119.487 120.400 0.097 0.000 2.717 164 D HA 0.429 5.068 4.640 -0.000 0.000 0.223 164 D C 0.174 176.494 176.300 0.033 0.000 1.240 164 D CA -0.149 53.892 54.000 0.068 0.000 0.801 164 D CB 1.803 42.648 40.800 0.076 0.000 1.556 164 D HN 0.277 nan 8.370 nan 0.000 0.462 165 G N 0.821 109.639 108.800 0.030 0.000 2.663 165 G HA2 0.122 4.082 3.960 -0.000 0.000 0.686 165 G HA3 0.122 4.082 3.960 -0.000 0.000 0.686 165 G C -0.816 174.090 174.900 0.010 0.000 1.288 165 G CA -0.402 44.708 45.100 0.017 0.000 0.836 165 G HN 0.759 nan 8.290 nan 0.000 0.584 166 E N 0.123 120.328 120.200 0.008 0.000 2.290 166 E HA 0.631 4.981 4.350 -0.000 0.000 0.277 166 E C 0.697 177.290 176.600 -0.010 0.000 1.035 166 E CA 0.773 57.177 56.400 0.008 0.000 0.873 166 E CB 0.794 30.502 29.700 0.013 0.000 1.029 166 E HN 1.347 nan 8.360 nan 0.000 0.419 167 A N 4.029 126.842 122.820 -0.012 0.000 2.256 167 A HA 0.311 4.631 4.320 -0.000 0.000 0.318 167 A C 0.572 178.132 177.584 -0.041 0.000 1.103 167 A CA -0.431 51.580 52.037 -0.044 0.000 0.860 167 A CB 0.577 19.550 19.000 -0.045 0.000 1.182 167 A HN 0.773 nan 8.150 nan 0.000 0.501 168 D N -0.167 120.163 120.400 -0.116 0.000 2.097 168 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 168 D C 0.238 176.518 176.300 -0.033 0.000 0.984 168 D CA 1.649 55.541 54.000 -0.180 0.000 0.826 168 D CB -0.011 40.453 40.800 -0.561 0.000 0.973 168 D HN 0.482 nan 8.370 nan 0.000 0.460 169 I N 1.869 122.433 120.570 -0.009 0.000 2.354 169 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 169 I C -0.144 176.041 176.117 0.114 0.000 1.007 169 I CA -0.322 61.046 61.300 0.113 0.000 1.167 169 I CB 1.435 39.526 38.000 0.151 0.000 1.320 169 I HN -0.285 nan 8.210 nan 0.000 0.458 170 M N 7.589 127.259 119.600 0.117 0.000 2.055 170 M HA 0.452 4.932 4.480 -0.000 0.000 0.347 170 M C -0.338 176.038 176.300 0.125 0.000 1.123 170 M CA -0.312 55.052 55.300 0.107 0.000 1.035 170 M CB 0.868 33.536 32.600 0.113 0.000 1.484 170 M HN 0.413 nan 8.290 nan 0.000 0.428 171 I N 3.467 124.072 120.570 0.059 0.000 2.474 171 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 171 I C 0.329 176.450 176.117 0.006 0.000 1.048 171 I CA 0.045 61.325 61.300 -0.033 0.000 1.383 171 I CB 0.708 38.463 38.000 -0.409 0.000 1.412 171 I HN 0.751 nan 8.210 nan 0.000 0.531 172 N N 4.237 123.008 118.700 0.118 0.000 2.823 172 N HA 0.447 5.187 4.740 -0.000 0.000 0.251 172 N C -1.828 173.791 175.510 0.182 0.000 1.392 172 N CA -0.630 52.540 53.050 0.201 0.000 0.864 172 N CB 1.640 40.293 38.487 0.276 0.000 1.481 172 N HN 0.208 nan 8.380 nan 0.000 0.508 173 F N 0.678 120.734 119.950 0.177 0.000 2.427 173 F HA 0.580 5.107 4.527 -0.000 0.000 0.348 173 F C 0.917 176.806 175.800 0.150 0.000 1.125 173 F CA -0.316 57.797 58.000 0.188 0.000 0.989 173 F CB 1.822 40.879 39.000 0.094 0.000 1.165 173 F HN 0.426 nan 8.300 nan 0.000 0.442 174 G N 2.893 111.830 108.800 0.228 0.000 2.569 174 G HA2 0.712 4.672 3.960 -0.000 0.000 0.300 174 G HA3 0.712 4.672 3.960 -0.000 0.000 0.300 174 G C -0.872 174.010 174.900 -0.030 0.000 1.269 174 G CA -0.951 44.142 45.100 -0.012 0.000 0.959 174 G HN 0.624 nan 8.290 nan 0.000 0.478 175 R N -1.402 119.114 120.500 0.026 0.000 3.091 175 R HA 0.497 4.837 4.340 -0.000 0.000 0.197 175 R C -0.155 176.237 176.300 0.152 0.000 1.554 175 R CA -0.791 55.394 56.100 0.142 0.000 0.895 175 R CB 0.008 30.422 30.300 0.190 0.000 2.235 175 R HN 0.446 nan 8.270 nan 0.000 0.512 176 W N 1.255 122.664 121.300 0.182 0.000 1.959 176 W HA -0.031 4.629 4.660 -0.000 0.000 0.352 176 W C 0.459 177.091 176.519 0.189 0.000 1.348 176 W CA 0.417 57.869 57.345 0.178 0.000 1.411 176 W CB -0.172 29.364 29.460 0.126 0.000 1.318 176 W HN 0.493 nan 8.180 nan 0.000 0.669 177 E N 2.218 122.650 120.200 0.386 0.000 2.806 177 E HA -0.262 4.088 4.350 -0.000 0.000 0.304 177 E C 0.347 177.050 176.600 0.170 0.000 0.741 177 E CA 0.749 57.256 56.400 0.179 0.000 1.133 177 E CB -0.779 28.976 29.700 0.092 0.000 0.669 177 E HN 0.480 nan 8.360 nan 0.000 0.466 178 H N 3.101 122.148 119.070 -0.038 0.000 2.492 178 H HA 0.434 4.990 4.556 -0.000 0.000 0.264 178 H C 1.020 176.299 175.328 -0.081 0.000 1.150 178 H CA -0.047 55.967 56.048 -0.057 0.000 0.962 178 H CB 0.088 29.786 29.762 -0.107 0.000 1.766 178 H HN 0.538 nan 8.280 nan 0.000 0.589 179 G N 2.058 110.737 108.800 -0.201 0.000 2.175 179 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.182 179 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.182 179 G C -0.111 174.689 174.900 -0.167 0.000 1.003 179 G CA 0.147 45.154 45.100 -0.155 0.000 0.666 179 G HN 0.573 nan 8.290 nan 0.000 0.506 180 D N -1.838 118.437 120.400 -0.208 0.000 2.672 180 D HA 0.428 5.068 4.640 -0.000 0.000 0.287 180 D C 1.528 177.765 176.300 -0.105 0.000 1.559 180 D CA 0.740 54.712 54.000 -0.046 0.000 0.796 180 D CB -0.399 40.512 40.800 0.185 0.000 1.181 180 D HN 1.428 nan 8.370 nan 0.000 0.458 181 G N 0.104 108.773 108.800 -0.219 0.000 2.205 181 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.269 181 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.269 181 G C -0.327 174.264 174.900 -0.515 0.000 0.977 181 G CA 0.641 45.521 45.100 -0.366 0.000 0.652 181 G HN 0.422 nan 8.290 nan 0.000 0.539 182 Y N 1.153 121.444 120.300 -0.015 0.000 2.854 182 Y HA 0.486 5.036 4.550 -0.000 0.000 0.330 182 Y C -2.097 173.837 175.900 0.056 0.000 1.037 182 Y CA -2.718 55.411 58.100 0.048 0.000 1.263 182 Y CB 1.262 39.756 38.460 0.057 0.000 1.120 182 Y HN 0.016 nan 8.280 nan 0.000 0.532 183 P HA 0.089 nan 4.420 nan 0.000 0.274 183 P C -0.274 177.178 177.300 0.253 0.000 1.231 183 P CA 0.009 63.217 63.100 0.179 0.000 0.790 183 P CB 0.940 32.780 31.700 0.233 0.000 0.951 184 F N 1.379 121.409 119.950 0.133 0.000 2.282 184 F HA 0.272 4.799 4.527 -0.000 0.000 0.289 184 F C 1.406 176.912 175.800 -0.490 0.000 0.959 184 F CA -0.229 57.665 58.000 -0.176 0.000 1.129 184 F CB -0.272 38.544 39.000 -0.307 0.000 1.864 184 F HN 0.332 nan 8.300 nan 0.000 0.569 185 D N -2.343 117.644 120.400 -0.689 0.000 2.480 185 D HA 0.391 5.031 4.640 -0.000 0.000 0.276 185 D C 0.663 176.106 176.300 -1.428 0.000 1.294 185 D CA 0.565 53.767 54.000 -1.329 0.000 0.829 185 D CB 0.273 40.856 40.800 -0.362 0.000 1.242 185 D HN 0.781 nan 8.370 nan 0.000 0.513 186 G N 0.572 108.733 108.800 -1.065 0.000 2.464 186 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 186 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 186 G C -1.003 173.753 174.900 -0.239 0.000 1.186 186 G CA -0.674 44.171 45.100 -0.425 0.000 1.010 186 G HN 0.267 nan 8.290 nan 0.000 0.585 187 K N 2.284 122.631 120.400 -0.089 0.000 2.322 187 K HA 0.406 4.726 4.320 -0.000 0.000 0.283 187 K C 0.705 177.229 176.600 -0.127 0.000 1.042 187 K CA 0.689 56.916 56.287 -0.101 0.000 0.958 187 K CB 0.518 32.992 32.500 -0.044 0.000 0.984 187 K HN 0.923 nan 8.250 nan 0.000 0.473 188 D N 1.761 122.065 120.400 -0.160 0.000 4.111 188 D HA -0.309 4.331 4.640 -0.000 0.000 0.290 188 D C 0.727 176.908 176.300 -0.199 0.000 2.255 188 D CA 1.300 55.206 54.000 -0.158 0.000 1.109 188 D CB -1.065 39.719 40.800 -0.027 0.000 1.034 188 D HN 0.790 nan 8.370 nan 0.000 1.222 189 G N -1.038 107.676 108.800 -0.143 0.000 2.950 189 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.299 189 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.299 189 G C 0.087 174.895 174.900 -0.153 0.000 1.310 189 G CA 0.464 45.514 45.100 -0.083 0.000 0.994 189 G HN 0.998 nan 8.290 nan 0.000 0.575 190 L N 2.277 123.391 121.223 -0.182 0.000 2.278 190 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 190 L C 1.661 178.237 176.870 -0.490 0.000 1.072 190 L CA -0.454 54.247 54.840 -0.230 0.000 0.819 190 L CB 1.028 43.019 42.059 -0.114 0.000 1.176 190 L HN 0.453 nan 8.230 nan 0.000 0.435 191 L N 3.100 124.022 121.223 -0.503 0.000 2.253 191 L HA 0.256 4.596 4.340 -0.000 0.000 0.205 191 L C 0.979 177.543 176.870 -0.511 0.000 1.078 191 L CA 0.571 55.061 54.840 -0.583 0.000 0.805 191 L CB -0.011 41.673 42.059 -0.624 0.000 0.963 191 L HN 0.793 nan 8.230 nan 0.000 0.459 192 A N -1.300 121.204 122.820 -0.527 0.000 3.251 192 A HA 0.618 4.938 4.320 -0.000 0.000 0.303 192 A C -1.430 176.006 177.584 -0.246 0.000 1.144 192 A CA -0.259 51.443 52.037 -0.558 0.000 0.606 192 A CB 1.088 19.731 19.000 -0.594 0.000 1.494 192 A HN 0.425 nan 8.150 nan 0.000 0.653 193 H N -2.625 116.360 119.070 -0.142 0.000 2.915 193 H HA 0.635 5.191 4.556 -0.000 0.000 0.263 193 H C -1.082 174.130 175.328 -0.192 0.000 1.373 193 H CA -0.646 55.355 56.048 -0.079 0.000 1.354 193 H CB 0.507 30.282 29.762 0.022 0.000 1.866 193 H HN 2.049 nan 8.280 nan 0.000 0.479 194 A N 1.659 124.429 122.820 -0.083 0.000 2.549 194 A HA 0.608 4.928 4.320 -0.000 0.000 0.297 194 A C -1.855 175.536 177.584 -0.322 0.000 1.061 194 A CA -0.760 51.189 52.037 -0.147 0.000 0.690 194 A CB 1.449 20.458 19.000 0.015 0.000 1.287 194 A HN 0.364 nan 8.150 nan 0.000 0.402 195 F N 1.334 121.186 119.950 -0.165 0.000 2.379 195 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 195 F C 1.174 176.896 175.800 -0.130 0.000 1.096 195 F CA 0.317 58.211 58.000 -0.176 0.000 1.105 195 F CB 1.451 40.358 39.000 -0.155 0.000 1.189 195 F HN 0.796 nan 8.300 nan 0.000 0.515 196 A N 3.229 126.027 122.820 -0.036 0.000 2.409 196 A HA 0.393 4.713 4.320 -0.000 0.000 0.246 196 A C -2.375 175.073 177.584 -0.226 0.000 1.099 196 A CA -1.246 50.709 52.037 -0.138 0.000 0.789 196 A CB -0.645 18.234 19.000 -0.201 0.000 1.053 196 A HN 0.506 nan 8.150 nan 0.000 0.503 197 P HA 0.381 nan 4.420 nan 0.000 0.267 197 P C 0.343 177.173 177.300 -0.782 0.000 1.201 197 P CA 1.479 63.822 63.100 -1.262 0.000 0.775 197 P CB 0.517 31.158 31.700 -1.765 0.000 0.854 198 G N -0.161 108.206 108.800 -0.722 0.000 2.350 198 G HA2 0.324 4.284 3.960 -0.000 0.000 0.304 198 G HA3 0.324 4.284 3.960 -0.000 0.000 0.304 198 G C -0.631 174.265 174.900 -0.007 0.000 1.421 198 G CA -0.308 44.642 45.100 -0.251 0.000 0.934 198 G HN 0.635 nan 8.290 nan 0.000 0.632 199 T N -1.154 113.401 114.554 0.002 0.000 2.766 199 T HA 0.686 5.036 4.350 -0.000 0.000 0.295 199 T C 1.615 176.311 174.700 -0.007 0.000 1.024 199 T CA 1.237 63.360 62.100 0.038 0.000 1.018 199 T CB 1.120 69.998 68.868 0.017 0.000 1.002 199 T HN 2.773 nan 8.240 nan 0.000 0.532 200 G N 0.074 108.872 108.800 -0.004 0.000 2.523 200 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.271 200 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.271 200 G C 0.798 175.664 174.900 -0.056 0.000 1.146 200 G CA 0.160 45.234 45.100 -0.042 0.000 0.961 200 G HN 1.381 nan 8.290 nan 0.000 0.549 201 V N 3.589 123.412 119.914 -0.152 0.000 3.573 201 V HA 0.356 4.476 4.120 -0.000 0.000 0.270 201 V C 2.147 178.111 176.094 -0.216 0.000 1.221 201 V CA 1.523 63.667 62.300 -0.259 0.000 1.163 201 V CB -0.666 30.833 31.823 -0.539 0.000 0.847 201 V HN 1.495 nan 8.190 nan 0.000 0.468 202 G N -0.239 108.510 108.800 -0.085 0.000 2.265 202 G HA2 0.354 4.314 3.960 -0.000 0.000 0.240 202 G HA3 0.354 4.314 3.960 -0.000 0.000 0.240 202 G C 1.188 176.212 174.900 0.206 0.000 1.270 202 G CA 0.500 45.610 45.100 0.018 0.000 0.901 202 G HN 1.037 nan 8.290 nan 0.000 0.507 203 G N 2.155 111.105 108.800 0.250 0.000 2.195 203 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 203 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 203 G C 0.205 175.286 174.900 0.301 0.000 0.984 203 G CA 0.288 45.645 45.100 0.429 0.000 0.633 203 G HN 0.810 nan 8.290 nan 0.000 0.525 204 D N 1.403 121.925 120.400 0.203 0.000 2.417 204 D HA 0.504 5.144 4.640 -0.000 0.000 0.250 204 D C 0.226 176.521 176.300 -0.008 0.000 1.166 204 D CA 0.648 54.697 54.000 0.081 0.000 0.881 204 D CB 1.203 41.985 40.800 -0.030 0.000 1.164 204 D HN 0.192 nan 8.370 nan 0.000 0.467 205 S N 2.016 117.698 115.700 -0.031 0.000 2.498 205 S HA 0.359 4.829 4.470 -0.000 0.000 0.324 205 S C -0.570 173.975 174.600 -0.092 0.000 1.071 205 S CA -0.772 57.378 58.200 -0.083 0.000 1.113 205 S CB 0.556 63.834 63.200 0.131 0.000 0.976 205 S HN 0.363 nan 8.310 nan 0.000 0.462 206 H N 1.272 120.406 119.070 0.107 0.000 2.492 206 H HA 0.564 5.120 4.556 -0.000 0.000 0.345 206 H C -1.246 173.996 175.328 -0.144 0.000 1.136 206 H CA -0.821 55.338 56.048 0.184 0.000 1.202 206 H CB 1.125 31.179 29.762 0.485 0.000 1.524 206 H HN 0.440 nan 8.280 nan 0.000 0.506 207 F N 0.872 120.772 119.950 -0.082 0.000 2.449 207 F HA 0.124 4.651 4.527 -0.000 0.000 0.342 207 F C 0.317 176.091 175.800 -0.043 0.000 1.127 207 F CA -1.170 56.635 58.000 -0.325 0.000 0.975 207 F CB 1.123 39.513 39.000 -1.017 0.000 1.146 207 F HN 0.523 nan 8.300 nan 0.000 0.444 208 D N 2.221 122.508 120.400 -0.188 0.000 2.520 208 D HA -0.115 4.525 4.640 -0.000 0.000 0.243 208 D C 0.663 177.212 176.300 0.415 0.000 1.160 208 D CA 0.694 54.541 54.000 -0.255 0.000 0.877 208 D CB 0.715 41.048 40.800 -0.779 0.000 1.150 208 D HN 0.683 nan 8.370 nan 0.000 0.494 209 D N 2.168 122.803 120.400 0.392 0.000 2.349 209 D HA -0.052 4.588 4.640 -0.000 0.000 0.224 209 D C 0.479 176.941 176.300 0.270 0.000 1.029 209 D CA 0.264 54.532 54.000 0.448 0.000 0.879 209 D CB 0.316 41.314 40.800 0.330 0.000 0.906 209 D HN 0.279 nan 8.370 nan 0.000 0.528 210 D N 0.031 120.506 120.400 0.125 0.000 2.328 210 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 210 D C -0.081 176.173 176.300 -0.076 0.000 1.072 210 D CA 0.234 54.246 54.000 0.020 0.000 0.850 210 D CB 0.384 41.151 40.800 -0.054 0.000 0.922 210 D HN 0.204 nan 8.370 nan 0.000 0.516 211 E N 0.449 120.553 120.200 -0.160 0.000 2.231 211 E HA 0.232 4.582 4.350 -0.000 0.000 0.277 211 E C -0.638 175.632 176.600 -0.551 0.000 0.999 211 E CA -0.839 55.266 56.400 -0.492 0.000 0.827 211 E CB 1.489 30.554 29.700 -1.058 0.000 1.101 211 E HN -0.099 nan 8.360 nan 0.000 0.393 212 L N 4.683 125.662 121.223 -0.406 0.000 2.515 212 L HA 0.223 4.563 4.340 -0.000 0.000 0.281 212 L C -1.244 175.420 176.870 -0.343 0.000 1.131 212 L CA 0.128 54.798 54.840 -0.283 0.000 0.905 212 L CB -0.354 41.567 42.059 -0.230 0.000 1.246 212 L HN 0.450 nan 8.230 nan 0.000 0.463 213 W N 5.659 126.957 121.300 -0.003 0.000 2.358 213 W HA 0.514 5.174 4.660 -0.000 0.000 0.307 213 W C 0.696 177.186 176.519 -0.048 0.000 1.203 213 W CA -0.222 57.124 57.345 0.002 0.000 1.279 213 W CB 1.004 30.482 29.460 0.031 0.000 1.264 213 W HN 0.692 nan 8.180 nan 0.000 0.474 214 T N -0.651 113.998 114.554 0.158 0.000 2.716 214 T HA 0.465 4.815 4.350 -0.000 0.000 0.286 214 T C -0.078 174.636 174.700 0.024 0.000 1.052 214 T CA -0.954 61.163 62.100 0.028 0.000 1.024 214 T CB 1.008 69.829 68.868 -0.078 0.000 1.349 214 T HN 0.299 nan 8.240 nan 0.000 0.525 215 L N 1.010 122.197 121.223 -0.061 0.000 2.688 215 L HA 0.396 4.736 4.340 -0.000 0.000 0.234 215 L C 1.825 178.620 176.870 -0.126 0.000 1.192 215 L CA 0.575 55.388 54.840 -0.044 0.000 0.984 215 L CB -0.893 41.118 42.059 -0.081 0.000 1.232 215 L HN 1.236 nan 8.230 nan 0.000 0.465 216 G N 0.279 108.927 108.800 -0.253 0.000 2.349 216 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 216 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 216 G C 0.150 174.596 174.900 -0.756 0.000 1.044 216 G CA -0.460 44.203 45.100 -0.729 0.000 0.633 216 G HN 0.453 nan 8.290 nan 0.000 0.506 217 E N 0.733 120.668 120.200 -0.443 0.000 2.185 217 E HA 0.519 4.869 4.350 -0.000 0.000 0.261 217 E C 0.590 177.117 176.600 -0.121 0.000 0.879 217 E CA -0.402 55.857 56.400 -0.234 0.000 0.756 217 E CB 1.675 31.314 29.700 -0.101 0.000 1.152 217 E HN 1.557 nan 8.360 nan 0.000 0.416 218 G N 3.084 111.825 108.800 -0.099 0.000 2.955 218 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.604 218 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.604 218 G C -0.051 174.838 174.900 -0.018 0.000 1.572 218 G CA -0.207 44.874 45.100 -0.032 0.000 1.016 218 G HN 0.696 nan 8.290 nan 0.000 0.569 219 Q N -1.086 118.729 119.800 0.024 0.000 2.392 219 Q HA 0.502 4.842 4.340 -0.000 0.000 0.262 219 Q C -0.157 175.923 176.000 0.134 0.000 1.003 219 Q CA -0.522 55.310 55.803 0.048 0.000 0.888 219 Q CB 1.193 29.951 28.738 0.033 0.000 1.260 219 Q HN 0.686 nan 8.270 nan 0.000 0.435 220 V N 2.865 122.809 119.914 0.049 0.000 2.459 220 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 220 V C -0.451 175.676 176.094 0.054 0.000 1.029 220 V CA -0.800 61.472 62.300 -0.046 0.000 0.874 220 V CB 1.722 33.407 31.823 -0.231 0.000 0.985 220 V HN 0.698 nan 8.190 nan 0.000 0.438 221 V N 4.823 124.788 119.914 0.085 0.000 2.623 221 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 221 V C -0.210 176.025 176.094 0.235 0.000 1.054 221 V CA -0.773 61.623 62.300 0.161 0.000 0.882 221 V CB 2.056 33.995 31.823 0.194 0.000 1.002 221 V HN 0.872 nan 8.190 nan 0.000 0.424 222 R N 3.567 124.210 120.500 0.239 0.000 2.229 222 R HA 0.654 4.994 4.340 -0.000 0.000 0.332 222 R C -0.164 176.159 176.300 0.038 0.000 0.989 222 R CA -0.354 55.826 56.100 0.134 0.000 0.842 222 R CB 1.557 31.891 30.300 0.057 0.000 1.119 222 R HN 0.750 nan 8.270 nan 0.000 0.456 223 V N 1.289 121.196 119.914 -0.011 0.000 3.489 223 V HA 0.510 4.630 4.120 -0.000 0.000 0.297 223 V C -0.466 175.597 176.094 -0.052 0.000 1.071 223 V CA -0.424 61.875 62.300 -0.002 0.000 1.074 223 V CB 1.118 32.910 31.823 -0.052 0.000 1.188 223 V HN 0.597 nan 8.190 nan 0.000 0.458 224 K N 1.162 121.545 120.400 -0.029 0.000 2.535 224 K HA 0.426 4.746 4.320 -0.000 0.000 0.250 224 K C -1.265 175.264 176.600 -0.119 0.000 0.948 224 K CA -0.561 55.577 56.287 -0.248 0.000 0.796 224 K CB 1.170 33.484 32.500 -0.310 0.000 1.216 224 K HN 0.858 nan 8.250 nan 0.000 0.432 225 Y N -1.064 119.222 120.300 -0.022 0.000 4.272 225 Y HA -0.263 4.287 4.550 -0.000 0.000 0.232 225 Y C 0.923 176.809 175.900 -0.023 0.000 1.149 225 Y CA 1.117 59.197 58.100 -0.033 0.000 1.961 225 Y CB -2.129 36.278 38.460 -0.089 0.000 1.611 225 Y HN 0.791 nan 8.280 nan 0.000 0.682 226 G N 0.817 109.525 108.800 -0.153 0.000 3.329 226 G HA2 0.271 4.231 3.960 -0.000 0.000 0.180 226 G HA3 0.271 4.231 3.960 -0.000 0.000 0.180 226 G C 0.909 175.531 174.900 -0.463 0.000 1.640 226 G CA 0.285 44.971 45.100 -0.690 0.000 1.018 226 G HN 0.316 nan 8.290 nan 0.000 0.581 227 N N -0.453 117.881 118.700 -0.609 0.000 2.204 227 N HA 0.412 5.152 4.740 -0.000 0.000 0.219 227 N C 0.467 175.860 175.510 -0.194 0.000 1.151 227 N CA 0.558 53.465 53.050 -0.237 0.000 0.867 227 N CB 1.062 39.492 38.487 -0.094 0.000 1.043 227 N HN 0.416 nan 8.380 nan 0.000 0.516 228 A N -0.387 122.270 122.820 -0.271 0.000 2.661 228 A HA 0.103 4.423 4.320 -0.000 0.000 0.278 228 A C 0.132 177.617 177.584 -0.165 0.000 1.090 228 A CA -0.464 51.464 52.037 -0.182 0.000 0.969 228 A CB -0.065 18.836 19.000 -0.165 0.000 1.240 228 A HN 0.278 nan 8.150 nan 0.000 0.578 229 D N 0.432 120.737 120.400 -0.158 0.000 2.629 229 D HA 0.175 4.815 4.640 -0.000 0.000 0.228 229 D C 1.369 177.588 176.300 -0.136 0.000 1.127 229 D CA 2.530 56.447 54.000 -0.138 0.000 0.855 229 D CB 0.388 41.139 40.800 -0.083 0.000 1.180 229 D HN 0.884 nan 8.370 nan 0.000 0.484 230 G N 3.473 112.178 108.800 -0.160 0.000 2.299 230 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 230 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 230 G C 0.387 175.134 174.900 -0.256 0.000 1.027 230 G CA 0.348 45.339 45.100 -0.182 0.000 0.619 230 G HN 0.616 nan 8.290 nan 0.000 0.513 231 E N -0.041 120.031 120.200 -0.214 0.000 2.391 231 E HA 0.490 4.840 4.350 -0.000 0.000 0.255 231 E C -0.200 176.260 176.600 -0.234 0.000 1.187 231 E CA -0.263 56.002 56.400 -0.226 0.000 0.941 231 E CB 0.294 29.918 29.700 -0.126 0.000 1.010 231 E HN 0.315 nan 8.360 nan 0.000 0.458 232 Y N -0.413 119.833 120.300 -0.090 0.000 2.376 232 Y HA 0.138 4.688 4.550 -0.000 0.000 0.325 232 Y C 0.764 176.543 175.900 -0.201 0.000 1.199 232 Y CA -0.870 57.157 58.100 -0.121 0.000 1.206 232 Y CB 0.773 39.174 38.460 -0.098 0.000 1.229 232 Y HN 0.393 nan 8.280 nan 0.000 0.480 233 c N 1.888 120.413 118.600 -0.125 0.000 2.705 233 c HA 0.218 4.788 4.570 -0.000 0.000 0.365 233 c C 0.435 174.243 174.090 -0.471 0.000 1.353 233 c CA -0.517 55.542 56.329 -0.450 0.000 2.339 233 c CB -0.098 41.865 42.510 -0.912 0.000 2.576 233 c HN 0.667 nan 8.230 nan 0.000 0.716 234 K N 0.947 121.073 120.400 -0.458 0.000 2.527 234 K HA 0.503 4.823 4.320 -0.000 0.000 0.240 234 K C -1.568 175.015 176.600 -0.028 0.000 0.989 234 K CA -0.019 56.165 56.287 -0.172 0.000 0.985 234 K CB -0.191 32.334 32.500 0.042 0.000 1.221 234 K HN 0.375 nan 8.250 nan 0.000 0.458 235 F N 5.096 125.149 119.950 0.172 0.000 2.420 235 F HA 0.475 5.002 4.527 -0.000 0.000 0.342 235 F C -1.625 174.273 175.800 0.162 0.000 1.113 235 F CA -2.480 55.633 58.000 0.188 0.000 1.059 235 F CB 1.001 40.074 39.000 0.122 0.000 1.128 235 F HN 0.424 nan 8.300 nan 0.000 0.475 236 P HA 0.424 nan 4.420 nan 0.000 0.281 236 P C -1.236 176.307 177.300 0.406 0.000 1.264 236 P CA -0.350 62.981 63.100 0.385 0.000 0.824 236 P CB 1.475 33.311 31.700 0.226 0.000 1.092 237 F N 0.093 120.142 119.950 0.165 0.000 2.546 237 F HA 0.623 5.150 4.527 -0.000 0.000 0.320 237 F C -1.351 174.346 175.800 -0.172 0.000 1.076 237 F CA -1.701 56.250 58.000 -0.082 0.000 0.928 237 F CB 1.075 40.067 39.000 -0.013 0.000 1.189 237 F HN 0.075 nan 8.300 nan 0.000 0.465 238 L N 5.039 125.998 121.223 -0.440 0.000 2.257 238 L HA 0.543 4.883 4.340 -0.000 0.000 0.290 238 L C -1.702 175.331 176.870 0.270 0.000 1.044 238 L CA -0.376 54.319 54.840 -0.242 0.000 0.810 238 L CB 0.608 42.417 42.059 -0.415 0.000 1.193 238 L HN 0.700 nan 8.230 nan 0.000 0.425 239 F N 5.761 125.824 119.950 0.188 0.000 2.536 239 F HA 0.381 4.908 4.527 -0.000 0.000 0.322 239 F C 0.724 176.721 175.800 0.328 0.000 1.144 239 F CA -0.712 57.516 58.000 0.379 0.000 0.924 239 F CB 0.799 40.030 39.000 0.385 0.000 1.181 239 F HN 0.714 nan 8.300 nan 0.000 0.438 240 N N 4.339 122.735 118.700 -0.506 0.000 2.721 240 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 240 N C 0.913 176.340 175.510 -0.139 0.000 1.072 240 N CA 1.287 54.062 53.050 -0.458 0.000 0.710 240 N CB -0.846 37.170 38.487 -0.785 0.000 0.993 240 N HN 1.529 nan 8.380 nan 0.000 0.547 241 G N -0.515 108.259 108.800 -0.043 0.000 2.179 241 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 241 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 241 G C -0.093 174.799 174.900 -0.012 0.000 0.977 241 G CA 0.982 46.077 45.100 -0.008 0.000 0.641 241 G HN 0.657 nan 8.290 nan 0.000 0.533 242 K N 0.657 121.051 120.400 -0.010 0.000 2.316 242 K HA 0.534 4.854 4.320 -0.000 0.000 0.251 242 K C -0.207 176.233 176.600 -0.267 0.000 0.934 242 K CA -0.765 55.436 56.287 -0.143 0.000 0.802 242 K CB 1.331 33.711 32.500 -0.200 0.000 1.171 242 K HN 0.242 nan 8.250 nan 0.000 0.426 243 E N 1.937 121.913 120.200 -0.373 0.000 2.283 243 E HA 0.208 4.558 4.350 -0.000 0.000 0.267 243 E C -1.218 174.912 176.600 -0.783 0.000 1.045 243 E CA -0.539 55.631 56.400 -0.383 0.000 0.884 243 E CB 1.047 30.654 29.700 -0.155 0.000 1.106 243 E HN 0.388 nan 8.360 nan 0.000 0.408 244 Y N 0.637 120.616 120.300 -0.534 0.000 2.386 244 Y HA 0.223 4.773 4.550 -0.000 0.000 0.334 244 Y C 0.390 176.137 175.900 -0.254 0.000 1.002 244 Y CA -0.766 57.018 58.100 -0.527 0.000 1.068 244 Y CB 1.485 39.305 38.460 -1.066 0.000 1.203 244 Y HN 0.404 nan 8.280 nan 0.000 0.443 245 N N 2.054 120.686 118.700 -0.114 0.000 2.321 245 N HA 0.143 4.883 4.740 -0.000 0.000 0.242 245 N C -0.692 174.292 175.510 -0.876 0.000 1.141 245 N CA -0.006 52.906 53.050 -0.230 0.000 0.864 245 N CB 0.727 39.126 38.487 -0.148 0.000 1.100 245 N HN 0.653 nan 8.380 nan 0.000 0.510 246 S N -1.585 113.613 115.700 -0.836 0.000 2.655 246 S HA 0.362 4.832 4.470 -0.000 0.000 0.266 246 S C -0.401 174.180 174.600 -0.031 0.000 1.149 246 S CA -0.849 56.781 58.200 -0.950 0.000 0.818 246 S CB 0.807 63.802 63.200 -0.341 0.000 1.130 246 S HN 0.119 nan 8.310 nan 0.000 0.476 247 c N 1.239 119.905 118.600 0.110 0.000 2.649 247 c HA 0.897 5.467 4.570 -0.000 0.000 0.377 247 c C 0.956 175.022 174.090 -0.039 0.000 1.321 247 c CA -0.060 56.322 56.329 0.088 0.000 2.368 247 c CB 0.511 43.085 42.510 0.106 0.000 2.597 247 c HN 0.994 nan 8.230 nan 0.000 0.678 248 T N -0.634 113.780 114.554 -0.234 0.000 2.853 248 T HA 0.399 4.749 4.350 -0.000 0.000 0.311 248 T C -0.436 174.166 174.700 -0.163 0.000 1.307 248 T CA -0.412 61.562 62.100 -0.210 0.000 1.019 248 T CB 1.254 69.914 68.868 -0.347 0.000 1.264 248 T HN 0.776 nan 8.240 nan 0.000 0.497 249 D N 0.845 121.262 120.400 0.028 0.000 2.363 249 D HA 0.178 4.818 4.640 -0.000 0.000 0.214 249 D C 0.572 176.993 176.300 0.202 0.000 1.093 249 D CA -0.132 53.977 54.000 0.181 0.000 0.837 249 D CB -0.152 40.733 40.800 0.142 0.000 0.948 249 D HN 0.370 nan 8.370 nan 0.000 0.507 250 T N 0.170 114.801 114.554 0.128 0.000 2.902 250 T HA 0.414 4.763 4.350 -0.000 0.000 0.301 250 T C 1.498 176.382 174.700 0.306 0.000 1.012 250 T CA 1.111 63.332 62.100 0.202 0.000 1.151 250 T CB 0.952 69.944 68.868 0.206 0.000 0.946 250 T HN 0.470 nan 8.240 nan 0.000 0.542 251 G N 3.847 112.831 108.800 0.307 0.000 2.317 251 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 251 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 251 G C 0.304 175.281 174.900 0.127 0.000 1.042 251 G CA -0.287 44.985 45.100 0.286 0.000 0.623 251 G HN 0.696 nan 8.290 nan 0.000 0.509 252 R N 0.414 120.983 120.500 0.114 0.000 2.549 252 R HA 0.709 5.049 4.340 -0.000 0.000 0.267 252 R C 0.819 177.184 176.300 0.110 0.000 1.045 252 R CA 0.090 56.242 56.100 0.087 0.000 1.115 252 R CB 1.133 31.517 30.300 0.140 0.000 1.121 252 R HN 0.109 nan 8.270 nan 0.000 0.543 253 S N 0.122 115.880 115.700 0.096 0.000 2.505 253 S HA -0.019 4.451 4.470 -0.000 0.000 0.216 253 S C 0.676 175.325 174.600 0.081 0.000 1.018 253 S CA -0.013 58.235 58.200 0.080 0.000 0.911 253 S CB 0.243 63.480 63.200 0.061 0.000 0.818 253 S HN 0.549 nan 8.310 nan 0.000 0.497 254 D N 1.926 122.402 120.400 0.126 0.000 2.092 254 D HA -0.046 4.594 4.640 -0.000 0.000 0.193 254 D C 1.678 177.986 176.300 0.013 0.000 0.994 254 D CA 1.559 55.642 54.000 0.138 0.000 0.828 254 D CB -0.342 40.699 40.800 0.402 0.000 0.963 254 D HN 0.528 nan 8.370 nan 0.000 0.450 255 G N -0.242 108.599 108.800 0.068 0.000 2.168 255 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.197 255 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.197 255 G C 0.008 174.898 174.900 -0.016 0.000 0.997 255 G CA -0.358 44.737 45.100 -0.009 0.000 0.658 255 G HN 0.170 nan 8.290 nan 0.000 0.513 256 F N 0.577 120.617 119.950 0.149 0.000 2.382 256 F HA 0.667 5.194 4.527 -0.000 0.000 0.331 256 F C 1.138 177.134 175.800 0.326 0.000 1.121 256 F CA -0.515 57.618 58.000 0.222 0.000 1.183 256 F CB 0.863 39.986 39.000 0.205 0.000 1.207 256 F HN -0.054 nan 8.300 nan 0.000 0.555 257 L N 3.671 125.256 121.223 0.604 0.000 2.307 257 L HA 0.360 4.700 4.340 -0.000 0.000 0.282 257 L C -0.706 176.477 176.870 0.522 0.000 1.051 257 L CA -0.576 54.518 54.840 0.423 0.000 0.804 257 L CB 0.976 43.209 42.059 0.289 0.000 1.197 257 L HN 0.647 nan 8.230 nan 0.000 0.431 258 W N 3.695 125.054 121.300 0.100 0.000 3.031 258 W HA 0.678 5.338 4.660 -0.000 0.000 0.337 258 W C -1.270 175.099 176.519 -0.250 0.000 1.187 258 W CA -1.326 55.949 57.345 -0.117 0.000 1.166 258 W CB 1.092 30.343 29.460 -0.348 0.000 1.437 258 W HN 0.734 nan 8.180 nan 0.000 0.551 259 c N 0.276 118.608 118.600 -0.447 0.000 3.285 259 c HA 0.805 5.375 4.570 -0.000 0.000 0.320 259 c C -0.392 173.166 174.090 -0.888 0.000 1.411 259 c CA -0.657 55.007 56.329 -1.109 0.000 1.429 259 c CB 1.414 43.586 42.510 -0.564 0.000 1.812 259 c HN 0.819 nan 8.230 nan 0.000 0.454 260 S N -0.413 114.462 115.700 -1.375 0.000 2.525 260 S HA 0.505 4.975 4.470 -0.000 0.000 0.290 260 S C 0.882 175.317 174.600 -0.274 0.000 1.152 260 S CA -0.153 57.728 58.200 -0.532 0.000 1.072 260 S CB 1.135 64.134 63.200 -0.335 0.000 1.027 260 S HN 0.862 nan 8.310 nan 0.000 0.500 261 T N 2.735 117.259 114.554 -0.050 0.000 3.113 261 T HA 0.122 4.472 4.350 -0.000 0.000 0.256 261 T C 0.522 175.242 174.700 0.034 0.000 1.131 261 T CA 0.959 63.037 62.100 -0.038 0.000 1.074 261 T CB -0.191 68.665 68.868 -0.020 0.000 0.944 261 T HN 0.832 nan 8.240 nan 0.000 0.516 262 T N -2.296 112.324 114.554 0.109 0.000 2.894 262 T HA 0.436 4.786 4.350 -0.000 0.000 0.309 262 T C 0.352 175.213 174.700 0.268 0.000 1.208 262 T CA -0.959 61.247 62.100 0.177 0.000 1.016 262 T CB 1.399 70.374 68.868 0.180 0.000 1.192 262 T HN -0.007 nan 8.240 nan 0.000 0.491 263 Y N 2.959 123.380 120.300 0.201 0.000 1.977 263 Y HA -0.149 4.401 4.550 -0.000 0.000 0.264 263 Y C 1.241 177.332 175.900 0.318 0.000 1.167 263 Y CA 2.208 60.460 58.100 0.253 0.000 1.102 263 Y CB -0.140 38.427 38.460 0.178 0.000 0.948 263 Y HN 0.727 nan 8.280 nan 0.000 0.489 264 N N 0.800 119.761 118.700 0.435 0.000 2.415 264 N HA -0.049 4.691 4.740 -0.000 0.000 0.250 264 N C 0.220 175.904 175.510 0.291 0.000 1.127 264 N CA 0.109 53.361 53.050 0.337 0.000 0.945 264 N CB 0.231 38.939 38.487 0.368 0.000 1.196 264 N HN 0.405 nan 8.380 nan 0.000 0.499 265 F N 4.146 124.207 119.950 0.185 0.000 2.317 265 F HA 0.064 4.591 4.527 -0.000 0.000 0.293 265 F C 1.836 177.756 175.800 0.200 0.000 1.085 265 F CA 0.885 59.032 58.000 0.245 0.000 1.390 265 F CB 0.269 39.530 39.000 0.435 0.000 1.077 265 F HN 0.411 nan 8.300 nan 0.000 0.517 266 E N 0.870 121.148 120.200 0.130 0.000 2.021 266 E HA -0.306 4.044 4.350 -0.000 0.000 0.200 266 E C 2.052 178.601 176.600 -0.086 0.000 1.015 266 E CA 1.696 58.084 56.400 -0.019 0.000 0.824 266 E CB -0.833 28.902 29.700 0.058 0.000 0.762 266 E HN 0.296 nan 8.360 nan 0.000 0.454 267 K N 1.220 121.625 120.400 0.008 0.000 1.969 267 K HA -0.167 4.153 4.320 -0.000 0.000 0.216 267 K C 1.812 178.396 176.600 -0.027 0.000 1.048 267 K CA 2.153 58.446 56.287 0.010 0.000 0.948 267 K CB -0.253 32.288 32.500 0.068 0.000 0.726 267 K HN -0.022 nan 8.250 nan 0.000 0.442 268 D N -1.135 119.266 120.400 0.002 0.000 2.103 268 D HA 0.019 4.659 4.640 -0.000 0.000 0.199 268 D C 0.987 177.239 176.300 -0.081 0.000 0.978 268 D CA 1.563 55.565 54.000 0.005 0.000 0.829 268 D CB -0.490 40.364 40.800 0.090 0.000 0.981 268 D HN 0.520 nan 8.370 nan 0.000 0.464 269 G N 0.970 109.612 108.800 -0.264 0.000 2.249 269 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.273 269 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.273 269 G C 0.246 175.181 174.900 0.058 0.000 1.036 269 G CA 0.184 44.977 45.100 -0.512 0.000 0.824 269 G HN 0.272 nan 8.290 nan 0.000 0.504 270 K N 0.233 120.784 120.400 0.252 0.000 2.347 270 K HA 0.499 4.819 4.320 -0.000 0.000 0.262 270 K C -0.056 176.756 176.600 0.353 0.000 1.052 270 K CA -0.746 55.694 56.287 0.256 0.000 0.946 270 K CB 0.506 33.077 32.500 0.118 0.000 1.220 270 K HN 0.487 nan 8.250 nan 0.000 0.450 271 Y N -0.222 120.170 120.300 0.153 0.000 2.662 271 Y HA 0.844 5.394 4.550 -0.000 0.000 0.335 271 Y C -0.196 175.644 175.900 -0.101 0.000 1.066 271 Y CA -1.270 56.843 58.100 0.022 0.000 1.116 271 Y CB 1.212 39.666 38.460 -0.009 0.000 1.308 271 Y HN 0.394 nan 8.280 nan 0.000 0.502 272 G N -0.056 108.550 108.800 -0.325 0.000 2.682 272 G HA2 0.561 4.521 3.960 -0.000 0.000 0.290 272 G HA3 0.561 4.521 3.960 -0.000 0.000 0.290 272 G C -2.369 172.393 174.900 -0.230 0.000 1.425 272 G CA -1.044 43.817 45.100 -0.399 0.000 0.807 272 G HN 0.465 nan 8.290 nan 0.000 0.482 273 F N -0.189 119.779 119.950 0.030 0.000 2.397 273 F HA 0.513 5.040 4.527 -0.000 0.000 0.331 273 F C 0.656 176.574 175.800 0.197 0.000 1.090 273 F CA -0.514 57.569 58.000 0.138 0.000 1.065 273 F CB 1.700 40.707 39.000 0.012 0.000 1.184 273 F HN 0.315 nan 8.300 nan 0.000 0.499 274 c N 4.282 123.177 118.600 0.492 0.000 2.319 274 c HA 0.441 5.011 4.570 -0.000 0.000 0.335 274 c C -2.122 172.221 174.090 0.421 0.000 1.274 274 c CA -1.587 54.959 56.329 0.362 0.000 1.806 274 c CB 0.735 43.405 42.510 0.266 0.000 2.329 274 c HN 0.493 nan 8.230 nan 0.000 0.524 275 P HA 0.064 nan 4.420 nan 0.000 0.265 275 P C -0.369 176.903 177.300 -0.046 0.000 1.187 275 P CA 0.912 63.969 63.100 -0.072 0.000 0.766 275 P CB 0.183 31.854 31.700 -0.049 0.000 0.820 276 H N 2.178 121.040 119.070 -0.346 0.000 4.434 276 H HA -0.026 4.530 4.556 -0.000 0.000 0.611 276 H C 0.901 176.133 175.328 -0.159 0.000 1.913 276 H CA -0.187 55.771 56.048 -0.149 0.000 1.631 276 H CB 0.710 30.471 29.762 -0.002 0.000 3.216 276 H HN 0.507 nan 8.280 nan 0.000 0.429 277 E N 2.098 122.327 120.200 0.047 0.000 2.284 277 E HA -0.162 4.188 4.350 -0.000 0.000 0.200 277 E C 1.347 178.068 176.600 0.203 0.000 1.008 277 E CA 1.288 57.749 56.400 0.102 0.000 0.829 277 E CB -0.129 29.675 29.700 0.173 0.000 0.744 277 E HN 0.462 nan 8.360 nan 0.000 0.491 278 A N 1.022 124.099 122.820 0.428 0.000 2.067 278 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 278 A C 2.295 179.897 177.584 0.031 0.000 1.156 278 A CA 0.645 52.791 52.037 0.182 0.000 0.683 278 A CB -0.191 18.853 19.000 0.074 0.000 0.808 278 A HN 0.242 nan 8.150 nan 0.000 0.455 279 L N -2.319 118.953 121.223 0.082 0.000 2.467 279 L HA 0.366 4.706 4.340 -0.000 0.000 0.213 279 L C 0.324 177.423 176.870 0.382 0.000 1.053 279 L CA 0.152 55.056 54.840 0.107 0.000 0.847 279 L CB 0.071 42.264 42.059 0.223 0.000 1.075 279 L HN 0.534 nan 8.230 nan 0.000 0.479 280 F N -1.563 118.501 119.950 0.190 0.000 2.719 280 F HA 0.590 5.117 4.527 -0.000 0.000 0.309 280 F C -0.572 175.302 175.800 0.124 0.000 1.138 280 F CA -1.139 56.965 58.000 0.174 0.000 0.943 280 F CB 0.694 39.838 39.000 0.241 0.000 1.304 280 F HN -0.145 nan 8.300 nan 0.000 0.445 281 T N -0.402 114.278 114.554 0.211 0.000 2.919 281 T HA 0.779 5.129 4.350 -0.000 0.000 0.282 281 T C -0.947 173.899 174.700 0.243 0.000 1.020 281 T CA -0.797 61.364 62.100 0.101 0.000 0.994 281 T CB 1.867 70.759 68.868 0.041 0.000 1.180 281 T HN 0.825 nan 8.240 nan 0.000 0.566 282 M N 0.923 120.645 119.600 0.203 0.000 2.204 282 M HA 0.583 5.063 4.480 -0.000 0.000 0.293 282 M C 0.307 176.762 176.300 0.258 0.000 0.994 282 M CA 0.833 56.270 55.300 0.228 0.000 0.925 282 M CB 0.900 33.599 32.600 0.166 0.000 1.577 282 M HN 1.456 nan 8.290 nan 0.000 0.439 283 G N 2.570 111.469 108.800 0.166 0.000 2.542 283 G HA2 0.290 4.250 3.960 -0.000 0.000 0.235 283 G HA3 0.290 4.250 3.960 -0.000 0.000 0.235 283 G C 0.444 175.398 174.900 0.091 0.000 1.286 283 G CA -0.238 44.949 45.100 0.146 0.000 0.904 283 G HN 1.956 nan 8.290 nan 0.000 0.577 284 G N -0.526 108.348 108.800 0.125 0.000 2.566 284 G HA2 0.055 4.015 3.960 -0.000 0.000 0.280 284 G HA3 0.055 4.015 3.960 -0.000 0.000 0.280 284 G C 0.676 175.321 174.900 -0.425 0.000 1.225 284 G CA 1.875 46.678 45.100 -0.494 0.000 0.966 284 G HN 2.642 nan 8.290 nan 0.000 0.560 285 N N -0.629 117.693 118.700 -0.631 0.000 2.143 285 N HA 0.533 5.273 4.740 -0.000 0.000 0.222 285 N C 1.524 176.929 175.510 -0.175 0.000 1.264 285 N CA 1.444 54.348 53.050 -0.242 0.000 0.897 285 N CB 0.212 38.646 38.487 -0.089 0.000 1.092 285 N HN 1.279 nan 8.380 nan 0.000 0.516 286 A N 0.846 123.529 122.820 -0.228 0.000 2.235 286 A HA 0.079 4.399 4.320 -0.000 0.000 0.208 286 A C 0.394 177.943 177.584 -0.059 0.000 1.172 286 A CA 0.185 52.152 52.037 -0.117 0.000 0.786 286 A CB -0.797 18.131 19.000 -0.119 0.000 0.804 286 A HN 0.398 nan 8.150 nan 0.000 0.479 287 E N -2.521 117.645 120.200 -0.056 0.000 2.440 287 E HA -0.247 4.103 4.350 -0.000 0.000 0.246 287 E C 0.832 177.437 176.600 0.007 0.000 1.165 287 E CA 0.497 56.880 56.400 -0.028 0.000 0.726 287 E CB -2.046 27.634 29.700 -0.032 0.000 1.271 287 E HN 1.496 nan 8.360 nan 0.000 0.397 288 G N -0.566 108.264 108.800 0.050 0.000 2.143 288 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.248 288 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.248 288 G C 0.191 175.184 174.900 0.154 0.000 0.991 288 G CA 0.401 45.588 45.100 0.146 0.000 0.689 288 G HN 0.228 nan 8.290 nan 0.000 0.522 289 Q N 0.381 120.223 119.800 0.069 0.000 2.421 289 Q HA 0.320 4.660 4.340 -0.000 0.000 0.255 289 Q C -1.875 174.155 176.000 0.051 0.000 1.013 289 Q CA -1.378 54.456 55.803 0.053 0.000 0.895 289 Q CB 0.527 29.267 28.738 0.004 0.000 1.271 289 Q HN 0.283 nan 8.270 nan 0.000 0.460 290 P HA 0.036 nan 4.420 nan 0.000 0.271 290 P C -0.442 176.783 177.300 -0.125 0.000 1.244 290 P CA -0.225 62.868 63.100 -0.012 0.000 0.793 290 P CB 0.507 32.190 31.700 -0.029 0.000 0.984 291 c N 0.873 119.330 118.600 -0.238 0.000 2.534 291 c HA 0.413 4.982 4.570 -0.000 0.000 0.385 291 c C 0.706 174.429 174.090 -0.611 0.000 1.264 291 c CA 0.165 56.187 56.329 -0.512 0.000 2.342 291 c CB -0.542 41.474 42.510 -0.824 0.000 2.564 291 c HN 0.391 nan 8.230 nan 0.000 0.603 292 K N 1.658 121.734 120.400 -0.540 0.000 2.339 292 K HA 0.606 4.925 4.320 -0.000 0.000 0.264 292 K C -1.524 174.969 176.600 -0.179 0.000 0.986 292 K CA -0.302 55.813 56.287 -0.285 0.000 0.866 292 K CB -0.029 32.434 32.500 -0.062 0.000 1.103 292 K HN 0.428 nan 8.250 nan 0.000 0.441 293 F N 5.017 125.071 119.950 0.172 0.000 2.495 293 F HA 0.494 5.021 4.527 -0.000 0.000 0.327 293 F C -1.690 174.171 175.800 0.101 0.000 1.103 293 F CA -2.412 55.691 58.000 0.172 0.000 0.949 293 F CB 1.222 40.298 39.000 0.128 0.000 1.142 293 F HN 0.440 nan 8.300 nan 0.000 0.457 294 P HA 0.335 nan 4.420 nan 0.000 0.282 294 P C -1.159 176.295 177.300 0.255 0.000 1.249 294 P CA -0.327 62.916 63.100 0.239 0.000 0.806 294 P CB 0.831 32.572 31.700 0.070 0.000 0.984 295 F N -0.150 119.945 119.950 0.243 0.000 2.495 295 F HA 0.646 5.173 4.527 -0.000 0.000 0.327 295 F C 0.193 176.162 175.800 0.282 0.000 1.103 295 F CA -1.705 56.423 58.000 0.214 0.000 0.949 295 F CB 1.466 40.572 39.000 0.176 0.000 1.142 295 F HN 0.220 nan 8.300 nan 0.000 0.457 296 R N 4.184 124.893 120.500 0.349 0.000 2.234 296 R HA 0.407 4.747 4.340 -0.000 0.000 0.324 296 R C -2.016 174.640 176.300 0.594 0.000 1.054 296 R CA -0.352 55.921 56.100 0.287 0.000 0.912 296 R CB 0.440 30.856 30.300 0.193 0.000 1.030 296 R HN 0.760 nan 8.270 nan 0.000 0.455 297 F N 6.595 126.790 119.950 0.408 0.000 2.434 297 F HA 0.308 4.835 4.527 -0.000 0.000 0.355 297 F C -0.423 175.593 175.800 0.360 0.000 1.115 297 F CA -0.380 57.957 58.000 0.562 0.000 1.010 297 F CB 0.587 40.050 39.000 0.771 0.000 1.234 297 F HN 0.781 nan 8.300 nan 0.000 0.439 298 Q N 2.790 122.596 119.800 0.011 0.000 1.362 298 Q HA -0.249 4.091 4.340 -0.000 0.000 0.377 298 Q C 1.283 177.236 176.000 -0.079 0.000 0.972 298 Q CA 1.678 57.381 55.803 -0.166 0.000 0.658 298 Q CB -1.460 26.994 28.738 -0.473 0.000 4.537 298 Q HN 0.982 nan 8.270 nan 0.000 0.581 299 G N 0.314 109.048 108.800 -0.110 0.000 3.186 299 G HA2 0.198 4.158 3.960 -0.000 0.000 0.214 299 G HA3 0.198 4.158 3.960 -0.000 0.000 0.214 299 G C -0.182 174.642 174.900 -0.126 0.000 1.222 299 G CA 1.131 46.178 45.100 -0.088 0.000 0.921 299 G HN 0.298 nan 8.290 nan 0.000 0.504 300 T N -1.089 113.356 114.554 -0.182 0.000 2.909 300 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 300 T C -0.607 173.814 174.700 -0.465 0.000 1.073 300 T CA -0.510 61.371 62.100 -0.366 0.000 0.999 300 T CB 2.049 70.561 68.868 -0.593 0.000 1.098 300 T HN -0.070 nan 8.240 nan 0.000 0.477 301 S N 1.643 117.069 115.700 -0.457 0.000 2.423 301 S HA 0.486 4.956 4.470 -0.000 0.000 0.317 301 S C -1.149 173.127 174.600 -0.540 0.000 1.065 301 S CA -0.649 57.323 58.200 -0.379 0.000 1.111 301 S CB -0.378 62.712 63.200 -0.184 0.000 0.968 301 S HN 0.481 nan 8.310 nan 0.000 0.474 302 Y N 3.033 123.057 120.300 -0.460 0.000 2.336 302 Y HA 0.257 4.807 4.550 -0.000 0.000 0.335 302 Y C 1.080 176.756 175.900 -0.374 0.000 1.046 302 Y CA -0.695 57.063 58.100 -0.570 0.000 1.198 302 Y CB 0.949 38.743 38.460 -1.110 0.000 1.182 302 Y HN 0.611 nan 8.280 nan 0.000 0.502 303 D N 0.901 121.243 120.400 -0.096 0.000 2.368 303 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 303 D C -0.531 175.389 176.300 -0.633 0.000 1.112 303 D CA 0.147 54.068 54.000 -0.131 0.000 0.834 303 D CB 0.297 41.020 40.800 -0.128 0.000 0.953 303 D HN 0.454 nan 8.370 nan 0.000 0.505 304 S N -2.098 113.277 115.700 -0.541 0.000 2.595 304 S HA 0.340 4.810 4.470 -0.000 0.000 0.270 304 S C -0.441 174.152 174.600 -0.012 0.000 1.145 304 S CA -1.019 56.699 58.200 -0.805 0.000 0.825 304 S CB 0.345 63.296 63.200 -0.415 0.000 1.107 304 S HN 0.035 nan 8.310 nan 0.000 0.461 305 c N 1.756 120.418 118.600 0.103 0.000 2.665 305 c HA 0.689 5.259 4.570 -0.000 0.000 0.416 305 c C 1.203 175.214 174.090 -0.132 0.000 1.305 305 c CA 0.369 56.708 56.329 0.017 0.000 1.903 305 c CB -0.004 42.517 42.510 0.018 0.000 2.704 305 c HN 0.970 nan 8.230 nan 0.000 0.629 306 T N -0.589 113.759 114.554 -0.343 0.000 2.812 306 T HA 0.553 4.903 4.350 -0.000 0.000 0.294 306 T C 0.626 175.195 174.700 -0.218 0.000 1.159 306 T CA 0.216 62.136 62.100 -0.301 0.000 1.008 306 T CB 1.552 70.148 68.868 -0.453 0.000 1.289 306 T HN 0.799 nan 8.240 nan 0.000 0.514 307 T N -0.888 113.680 114.554 0.024 0.000 3.085 307 T HA 0.303 4.653 4.350 -0.000 0.000 0.264 307 T C 0.395 175.291 174.700 0.327 0.000 1.019 307 T CA -0.125 62.125 62.100 0.249 0.000 0.910 307 T CB 0.050 69.050 68.868 0.219 0.000 1.059 307 T HN 0.533 nan 8.240 nan 0.000 0.542 308 E N 1.605 121.952 120.200 0.245 0.000 2.608 308 E HA 0.354 4.704 4.350 -0.000 0.000 0.259 308 E C 1.593 178.457 176.600 0.440 0.000 0.951 308 E CA 1.439 58.029 56.400 0.316 0.000 0.945 308 E CB -0.394 29.476 29.700 0.284 0.000 0.916 308 E HN 0.494 nan 8.360 nan 0.000 0.477 309 G N 4.734 113.734 108.800 0.332 0.000 2.353 309 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.258 309 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.258 309 G C 0.133 175.099 174.900 0.110 0.000 1.013 309 G CA 0.593 45.817 45.100 0.207 0.000 0.622 309 G HN 0.546 nan 8.290 nan 0.000 0.535 310 R N 0.250 120.841 120.500 0.153 0.000 2.410 310 R HA 0.544 4.884 4.340 -0.000 0.000 0.288 310 R C 0.602 176.999 176.300 0.162 0.000 1.051 310 R CA 0.349 56.538 56.100 0.148 0.000 1.021 310 R CB 1.079 31.525 30.300 0.243 0.000 1.032 310 R HN 0.155 nan 8.270 nan 0.000 0.481 311 T N -0.072 114.572 114.554 0.150 0.000 3.044 311 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 311 T C 0.309 175.104 174.700 0.157 0.000 1.019 311 T CA 0.050 62.233 62.100 0.138 0.000 0.921 311 T CB 0.104 69.038 68.868 0.110 0.000 1.053 311 T HN 0.612 nan 8.240 nan 0.000 0.533 312 D N -0.171 120.353 120.400 0.206 0.000 2.395 312 D HA 0.235 4.875 4.640 -0.000 0.000 0.213 312 D C 1.387 177.778 176.300 0.152 0.000 1.110 312 D CA 0.423 54.562 54.000 0.232 0.000 0.835 312 D CB -0.502 40.527 40.800 0.382 0.000 0.965 312 D HN 0.328 nan 8.370 nan 0.000 0.505 313 G N 0.318 109.223 108.800 0.175 0.000 2.225 313 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 313 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 313 G C -0.646 174.302 174.900 0.080 0.000 1.024 313 G CA 0.136 45.334 45.100 0.164 0.000 0.784 313 G HN 0.392 nan 8.290 nan 0.000 0.507 314 Y N 0.610 121.058 120.300 0.246 0.000 2.335 314 Y HA 0.482 5.032 4.550 -0.000 0.000 0.339 314 Y C 1.376 177.475 175.900 0.332 0.000 0.987 314 Y CA -0.986 57.236 58.100 0.202 0.000 1.140 314 Y CB 0.865 39.437 38.460 0.188 0.000 1.173 314 Y HN 0.148 nan 8.280 nan 0.000 0.486 315 R N 4.558 125.276 120.500 0.364 0.000 2.489 315 R HA 0.107 4.447 4.340 -0.000 0.000 0.287 315 R C -0.628 175.878 176.300 0.342 0.000 1.053 315 R CA 0.020 56.274 56.100 0.256 0.000 1.036 315 R CB 0.550 30.920 30.300 0.117 0.000 0.966 315 R HN 0.791 nan 8.270 nan 0.000 0.432 316 W N 2.131 123.428 121.300 -0.007 0.000 3.031 316 W HA 0.533 5.193 4.660 -0.000 0.000 0.337 316 W C -1.131 175.252 176.519 -0.226 0.000 1.187 316 W CA -1.335 55.862 57.345 -0.246 0.000 1.166 316 W CB 0.580 29.724 29.460 -0.527 0.000 1.437 316 W HN 0.721 nan 8.180 nan 0.000 0.551 317 c N -0.191 118.228 118.600 -0.303 0.000 3.236 317 c HA 0.924 5.494 4.570 -0.000 0.000 0.312 317 c C 0.477 174.072 174.090 -0.825 0.000 1.374 317 c CA -0.280 55.567 56.329 -0.803 0.000 1.455 317 c CB 1.396 43.683 42.510 -0.372 0.000 1.834 317 c HN 1.113 nan 8.230 nan 0.000 0.460 318 G N 0.669 108.327 108.800 -1.904 0.000 2.355 318 G HA2 0.462 4.422 3.960 -0.000 0.000 0.276 318 G HA3 0.462 4.422 3.960 -0.000 0.000 0.276 318 G C 0.704 175.309 174.900 -0.492 0.000 1.198 318 G CA 0.472 44.995 45.100 -0.962 0.000 0.876 318 G HN 1.334 nan 8.290 nan 0.000 0.478 319 T N -0.917 113.538 114.554 -0.164 0.000 3.107 319 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 319 T C 0.998 175.662 174.700 -0.059 0.000 1.096 319 T CA 0.390 62.410 62.100 -0.134 0.000 1.012 319 T CB 0.250 69.071 68.868 -0.078 0.000 0.977 319 T HN 0.521 nan 8.240 nan 0.000 0.527 320 T N -0.064 114.491 114.554 0.003 0.000 2.888 320 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 320 T C 0.481 175.255 174.700 0.123 0.000 1.063 320 T CA -0.629 61.504 62.100 0.056 0.000 1.010 320 T CB 2.054 70.966 68.868 0.072 0.000 1.214 320 T HN 0.080 nan 8.240 nan 0.000 0.533 321 E N 0.298 120.573 120.200 0.126 0.000 2.347 321 E HA -0.016 4.334 4.350 -0.000 0.000 0.196 321 E C -0.322 176.420 176.600 0.237 0.000 1.008 321 E CA 0.558 57.061 56.400 0.170 0.000 0.852 321 E CB 0.281 30.049 29.700 0.114 0.000 0.783 321 E HN 0.406 nan 8.360 nan 0.000 0.505 322 D N -1.038 119.500 120.400 0.230 0.000 2.402 322 D HA -0.018 4.622 4.640 -0.000 0.000 0.252 322 D C -0.147 176.330 176.300 0.296 0.000 1.294 322 D CA -0.502 53.657 54.000 0.265 0.000 0.948 322 D CB 0.485 41.384 40.800 0.165 0.000 1.202 322 D HN -0.080 nan 8.370 nan 0.000 0.561 323 Y N 4.029 124.543 120.300 0.356 0.000 2.163 323 Y HA -0.152 4.398 4.550 -0.000 0.000 0.288 323 Y C 1.426 177.474 175.900 0.246 0.000 1.136 323 Y CA 1.751 60.031 58.100 0.300 0.000 1.147 323 Y CB 0.219 38.936 38.460 0.428 0.000 0.987 323 Y HN 0.333 nan 8.280 nan 0.000 0.509 324 D N 0.124 120.650 120.400 0.209 0.000 2.133 324 D HA -0.223 4.417 4.640 -0.000 0.000 0.195 324 D C 2.224 178.492 176.300 -0.054 0.000 0.997 324 D CA 1.677 55.718 54.000 0.069 0.000 0.840 324 D CB -0.302 40.629 40.800 0.219 0.000 0.947 324 D HN 0.413 nan 8.370 nan 0.000 0.452 325 R N 0.603 121.106 120.500 0.005 0.000 2.057 325 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 325 R C 1.481 177.754 176.300 -0.044 0.000 1.136 325 R CA 1.422 57.519 56.100 -0.004 0.000 0.952 325 R CB 0.185 30.506 30.300 0.035 0.000 0.848 325 R HN 0.023 nan 8.270 nan 0.000 0.430 326 D N 0.148 120.521 120.400 -0.045 0.000 2.305 326 D HA -0.029 4.611 4.640 -0.000 0.000 0.206 326 D C 0.188 176.427 176.300 -0.101 0.000 0.974 326 D CA 0.444 54.419 54.000 -0.042 0.000 0.871 326 D CB 0.285 41.091 40.800 0.010 0.000 0.947 326 D HN 0.174 nan 8.370 nan 0.000 0.516 327 K N 0.250 120.484 120.400 -0.277 0.000 3.104 327 K HA -0.160 4.160 4.320 -0.000 0.000 0.285 327 K C -0.211 176.359 176.600 -0.050 0.000 1.136 327 K CA 0.778 56.797 56.287 -0.446 0.000 0.842 327 K CB -0.588 31.739 32.500 -0.288 0.000 1.217 327 K HN 0.076 nan 8.250 nan 0.000 0.467 328 K N 0.850 121.301 120.400 0.086 0.000 2.172 328 K HA 0.397 4.717 4.320 -0.000 0.000 0.276 328 K C -0.080 176.739 176.600 0.365 0.000 1.013 328 K CA -0.382 56.021 56.287 0.193 0.000 0.913 328 K CB 0.932 33.471 32.500 0.066 0.000 1.055 328 K HN 0.179 nan 8.250 nan 0.000 0.461 329 Y N -2.139 118.200 120.300 0.065 0.000 2.750 329 Y HA 0.707 5.257 4.550 -0.000 0.000 0.335 329 Y C -0.571 175.282 175.900 -0.078 0.000 1.252 329 Y CA -1.373 56.724 58.100 -0.004 0.000 1.064 329 Y CB 1.049 39.498 38.460 -0.017 0.000 1.321 329 Y HN 0.622 nan 8.280 nan 0.000 0.451 330 G N 0.027 108.672 108.800 -0.258 0.000 2.645 330 G HA2 0.597 4.557 3.960 -0.000 0.000 0.292 330 G HA3 0.597 4.557 3.960 -0.000 0.000 0.292 330 G C -2.345 172.423 174.900 -0.221 0.000 1.415 330 G CA -1.039 43.887 45.100 -0.290 0.000 0.785 330 G HN 0.522 nan 8.290 nan 0.000 0.483 331 F N -1.041 118.937 119.950 0.048 0.000 2.518 331 F HA 0.591 5.118 4.527 -0.000 0.000 0.338 331 F C 0.446 176.263 175.800 0.028 0.000 1.065 331 F CA -0.590 57.464 58.000 0.090 0.000 1.012 331 F CB 2.197 41.230 39.000 0.054 0.000 1.297 331 F HN 0.434 nan 8.300 nan 0.000 0.489 332 c N 1.914 120.663 118.600 0.249 0.000 3.328 332 c HA 0.255 4.825 4.570 -0.000 0.000 0.230 332 c C -1.721 172.417 174.090 0.079 0.000 1.232 332 c CA -1.001 55.380 56.329 0.086 0.000 1.431 332 c CB -0.147 42.395 42.510 0.053 0.000 1.818 332 c HN 0.536 nan 8.230 nan 0.000 0.484 333 P HA -0.086 nan 4.420 nan 0.000 0.222 333 P C 0.352 177.651 177.300 -0.002 0.000 1.147 333 P CA 1.569 64.688 63.100 0.030 0.000 0.790 333 P CB 0.492 32.194 31.700 0.004 0.000 0.780 334 E N -2.635 117.548 120.200 -0.029 0.000 2.396 334 E HA 0.307 4.657 4.350 -0.000 0.000 0.280 334 E C -1.484 175.068 176.600 -0.080 0.000 1.065 334 E CA -0.604 55.777 56.400 -0.032 0.000 0.831 334 E CB 1.040 30.742 29.700 0.003 0.000 1.272 334 E HN -0.338 nan 8.360 nan 0.000 0.443 335 T N 1.176 115.681 114.554 -0.083 0.000 2.841 335 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 335 T C -0.682 173.974 174.700 -0.074 0.000 1.000 335 T CA -0.342 61.660 62.100 -0.164 0.000 0.977 335 T CB 1.457 70.174 68.868 -0.250 0.000 0.979 335 T HN 0.555 nan 8.240 nan 0.000 0.446 336 A N 3.520 126.323 122.820 -0.028 0.000 2.362 336 A HA 0.712 5.032 4.320 -0.000 0.000 0.276 336 A C -0.260 177.367 177.584 0.072 0.000 1.153 336 A CA -0.377 51.712 52.037 0.087 0.000 0.813 336 A CB -0.001 19.112 19.000 0.189 0.000 1.081 336 A HN 0.763 nan 8.150 nan 0.000 0.507 337 M N 2.217 121.841 119.600 0.040 0.000 2.456 337 M HA 0.400 4.880 4.480 -0.000 0.000 0.324 337 M C 0.905 177.191 176.300 -0.024 0.000 1.124 337 M CA 0.165 55.470 55.300 0.007 0.000 0.959 337 M CB 2.202 34.790 32.600 -0.020 0.000 1.692 337 M HN 0.594 nan 8.290 nan 0.000 0.444 338 S N 0.239 115.920 115.700 -0.030 0.000 2.520 338 S HA 0.316 4.786 4.470 -0.000 0.000 0.219 338 S C -0.010 174.544 174.600 -0.076 0.000 1.028 338 S CA 0.111 58.270 58.200 -0.067 0.000 0.921 338 S CB 0.383 63.560 63.200 -0.039 0.000 0.844 338 S HN 0.815 nan 8.310 nan 0.000 0.495 339 T N 0.469 114.983 114.554 -0.067 0.000 2.889 339 T HA 0.605 4.955 4.350 -0.000 0.000 0.315 339 T C -1.716 172.942 174.700 -0.070 0.000 1.291 339 T CA -0.354 61.704 62.100 -0.070 0.000 1.028 339 T CB 1.644 70.450 68.868 -0.103 0.000 1.235 339 T HN -0.118 nan 8.240 nan 0.000 0.491 340 V N 2.440 122.328 119.914 -0.043 0.000 2.769 340 V HA 0.875 4.995 4.120 -0.000 0.000 0.312 340 V C 0.911 176.971 176.094 -0.057 0.000 1.061 340 V CA 0.401 62.683 62.300 -0.031 0.000 0.931 340 V CB 1.329 33.156 31.823 0.007 0.000 1.010 340 V HN 1.439 nan 8.190 nan 0.000 0.433 341 G N 2.360 111.108 108.800 -0.087 0.000 2.914 341 G HA2 0.357 4.317 3.960 -0.000 0.000 0.254 341 G HA3 0.357 4.317 3.960 -0.000 0.000 0.254 341 G C 0.522 175.051 174.900 -0.620 0.000 1.449 341 G CA -0.092 44.908 45.100 -0.167 0.000 0.925 341 G HN 2.513 nan 8.290 nan 0.000 0.555 342 G N -1.049 107.182 108.800 -0.948 0.000 2.582 342 G HA2 0.223 4.183 3.960 -0.000 0.000 0.222 342 G HA3 0.223 4.183 3.960 -0.000 0.000 0.222 342 G C 0.491 174.881 174.900 -0.850 0.000 1.311 342 G CA 0.745 44.782 45.100 -1.772 0.000 0.915 342 G HN 2.399 nan 8.290 nan 0.000 0.528 343 N N -1.235 116.971 118.700 -0.824 0.000 2.250 343 N HA 0.181 4.921 4.740 -0.000 0.000 0.190 343 N C 1.596 176.947 175.510 -0.264 0.000 1.116 343 N CA 1.348 54.205 53.050 -0.322 0.000 0.881 343 N CB 0.392 38.820 38.487 -0.098 0.000 1.006 343 N HN 0.439 nan 8.380 nan 0.000 0.491 344 S N 0.495 115.977 115.700 -0.363 0.000 2.603 344 S HA 0.014 4.484 4.470 -0.000 0.000 0.220 344 S C -0.112 174.379 174.600 -0.181 0.000 0.967 344 S CA -0.182 57.886 58.200 -0.221 0.000 0.920 344 S CB -0.353 62.716 63.200 -0.218 0.000 0.773 344 S HN 0.197 nan 8.310 nan 0.000 0.529 345 E N 1.619 121.691 120.200 -0.213 0.000 2.420 345 E HA -0.138 4.212 4.350 -0.000 0.000 0.306 345 E C 1.126 177.681 176.600 -0.075 0.000 0.689 345 E CA 1.109 57.420 56.400 -0.148 0.000 1.134 345 E CB -1.156 28.465 29.700 -0.133 0.000 0.659 345 E HN 0.564 nan 8.360 nan 0.000 0.428 346 G N 1.931 110.694 108.800 -0.062 0.000 2.698 346 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.200 346 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.200 346 G C 0.282 175.164 174.900 -0.030 0.000 2.083 346 G CA 0.161 45.262 45.100 0.002 0.000 1.629 346 G HN 1.050 nan 8.290 nan 0.000 0.565 347 A N 3.534 126.327 122.820 -0.045 0.000 2.611 347 A HA 0.417 4.737 4.320 -0.000 0.000 0.239 347 A C -0.886 176.651 177.584 -0.078 0.000 0.995 347 A CA 1.514 53.516 52.037 -0.059 0.000 0.813 347 A CB -0.496 18.460 19.000 -0.072 0.000 0.880 347 A HN 0.611 nan 8.150 nan 0.000 0.481 348 P HA 0.337 nan 4.420 nan 0.000 0.279 348 P C -0.145 177.067 177.300 -0.147 0.000 1.282 348 P CA -0.676 62.372 63.100 -0.087 0.000 0.788 348 P CB 0.336 32.004 31.700 -0.055 0.000 1.139 349 c N -0.645 117.826 118.600 -0.215 0.000 2.396 349 c HA 0.593 5.163 4.570 -0.000 0.000 0.359 349 c C 0.464 174.258 174.090 -0.493 0.000 1.307 349 c CA -0.363 55.716 56.329 -0.417 0.000 2.392 349 c CB 0.449 42.575 42.510 -0.639 0.000 2.245 349 c HN 0.444 nan 8.230 nan 0.000 0.615 350 V N -0.716 118.833 119.914 -0.609 0.000 2.524 350 V HA 0.714 4.834 4.120 -0.000 0.000 0.297 350 V C -1.368 174.545 176.094 -0.302 0.000 1.035 350 V CA -0.358 61.733 62.300 -0.348 0.000 0.867 350 V CB 0.768 32.540 31.823 -0.085 0.000 1.004 350 V HN 0.645 nan 8.190 nan 0.000 0.426 351 F N 5.204 125.243 119.950 0.148 0.000 2.520 351 F HA 0.884 5.411 4.527 -0.000 0.000 0.322 351 F C -1.675 174.163 175.800 0.063 0.000 1.103 351 F CA -2.295 55.772 58.000 0.111 0.000 0.926 351 F CB 1.731 40.761 39.000 0.050 0.000 1.154 351 F HN 0.476 nan 8.300 nan 0.000 0.453 352 P HA 0.444 nan 4.420 nan 0.000 0.279 352 P C -1.300 176.155 177.300 0.259 0.000 1.252 352 P CA -0.328 62.903 63.100 0.218 0.000 0.811 352 P CB 1.111 32.859 31.700 0.081 0.000 1.035 353 F N -1.709 118.405 119.950 0.273 0.000 2.540 353 F HA 0.582 5.109 4.527 -0.000 0.000 0.317 353 F C -0.242 175.747 175.800 0.315 0.000 1.104 353 F CA -1.125 57.014 58.000 0.231 0.000 0.913 353 F CB 1.205 40.305 39.000 0.167 0.000 1.170 353 F HN 0.316 nan 8.300 nan 0.000 0.450 354 T N 2.556 117.414 114.554 0.507 0.000 2.806 354 T HA 0.612 4.962 4.350 -0.000 0.000 0.290 354 T C -1.356 173.767 174.700 0.706 0.000 0.966 354 T CA -0.296 62.092 62.100 0.480 0.000 1.060 354 T CB 0.635 69.688 68.868 0.308 0.000 0.927 354 T HN 0.647 nan 8.240 nan 0.000 0.485 355 F N 5.713 125.991 119.950 0.546 0.000 2.529 355 F HA 0.520 5.047 4.527 -0.000 0.000 0.320 355 F C 0.437 176.496 175.800 0.433 0.000 1.118 355 F CA -1.965 56.343 58.000 0.513 0.000 0.915 355 F CB 0.985 40.212 39.000 0.377 0.000 1.161 355 F HN 0.730 nan 8.300 nan 0.000 0.445 356 L N 5.932 127.024 121.223 -0.218 0.000 3.976 356 L HA -0.304 4.036 4.340 -0.000 0.000 0.418 356 L C 1.074 177.936 176.870 -0.014 0.000 1.177 356 L CA 1.029 55.722 54.840 -0.246 0.000 0.968 356 L CB -1.969 39.824 42.059 -0.443 0.000 1.933 356 L HN 1.253 nan 8.230 nan 0.000 0.976 357 G N -1.166 107.688 108.800 0.091 0.000 2.175 357 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 357 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 357 G C -0.046 174.912 174.900 0.097 0.000 0.982 357 G CA 0.390 45.541 45.100 0.086 0.000 0.641 357 G HN 0.675 nan 8.290 nan 0.000 0.527 358 N N -0.273 118.520 118.700 0.155 0.000 2.272 358 N HA 0.610 5.350 4.740 -0.000 0.000 0.305 358 N C -0.723 174.849 175.510 0.103 0.000 1.103 358 N CA -0.928 52.157 53.050 0.058 0.000 0.791 358 N CB 1.469 39.907 38.487 -0.081 0.000 1.356 358 N HN 0.159 nan 8.380 nan 0.000 0.486 359 K N 1.447 121.834 120.400 -0.021 0.000 2.284 359 K HA 0.210 4.530 4.320 -0.000 0.000 0.287 359 K C -0.951 175.527 176.600 -0.203 0.000 1.081 359 K CA -0.273 56.000 56.287 -0.024 0.000 0.910 359 K CB 0.210 32.700 32.500 -0.017 0.000 1.088 359 K HN 0.480 nan 8.250 nan 0.000 0.478 360 Y N 1.280 121.324 120.300 -0.427 0.000 2.308 360 Y HA 0.097 4.647 4.550 -0.000 0.000 0.329 360 Y C 0.799 176.375 175.900 -0.541 0.000 1.111 360 Y CA -0.544 57.206 58.100 -0.583 0.000 1.179 360 Y CB 1.329 39.211 38.460 -0.964 0.000 1.201 360 Y HN 0.566 nan 8.280 nan 0.000 0.483 361 E N 1.068 121.095 120.200 -0.288 0.000 2.685 361 E HA 0.256 4.606 4.350 -0.000 0.000 0.208 361 E C -0.829 175.318 176.600 -0.755 0.000 0.996 361 E CA -0.212 55.986 56.400 -0.337 0.000 1.054 361 E CB 0.337 29.902 29.700 -0.225 0.000 1.075 361 E HN 0.641 nan 8.360 nan 0.000 0.460 362 S N -2.289 112.935 115.700 -0.792 0.000 2.655 362 S HA 0.323 4.793 4.470 -0.000 0.000 0.266 362 S C -0.400 174.063 174.600 -0.227 0.000 1.149 362 S CA -1.135 56.544 58.200 -0.868 0.000 0.818 362 S CB 0.337 63.291 63.200 -0.409 0.000 1.130 362 S HN 0.077 nan 8.310 nan 0.000 0.476 363 c N 1.635 120.197 118.600 -0.064 0.000 2.657 363 c HA 0.707 5.277 4.570 -0.000 0.000 0.420 363 c C 1.095 175.124 174.090 -0.101 0.000 1.323 363 c CA 0.086 56.424 56.329 0.014 0.000 1.894 363 c CB -0.233 42.292 42.510 0.026 0.000 2.681 363 c HN 0.902 nan 8.230 nan 0.000 0.613 364 T N 0.105 114.485 114.554 -0.291 0.000 2.901 364 T HA 0.479 4.829 4.350 -0.000 0.000 0.293 364 T C 0.669 175.213 174.700 -0.261 0.000 1.084 364 T CA -0.218 61.735 62.100 -0.245 0.000 1.008 364 T CB 1.337 70.051 68.868 -0.256 0.000 1.170 364 T HN 0.791 nan 8.240 nan 0.000 0.509 365 S N 0.947 116.666 115.700 0.031 0.000 2.539 365 S HA 0.433 4.903 4.470 -0.000 0.000 0.221 365 S C 1.006 175.827 174.600 0.368 0.000 0.987 365 S CA -0.023 58.307 58.200 0.218 0.000 0.929 365 S CB -0.034 63.264 63.200 0.163 0.000 0.832 365 S HN 1.005 nan 8.310 nan 0.000 0.492 366 A N 1.410 124.438 122.820 0.347 0.000 2.553 366 A HA 0.486 4.806 4.320 -0.000 0.000 0.258 366 A C 1.519 179.520 177.584 0.694 0.000 1.069 366 A CA 0.612 52.944 52.037 0.493 0.000 0.767 366 A CB -1.102 18.258 19.000 0.601 0.000 0.997 366 A HN 1.450 nan 8.150 nan 0.000 0.512 367 G N 2.580 111.696 108.800 0.525 0.000 2.352 367 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.204 367 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.204 367 G C 0.237 175.275 174.900 0.230 0.000 1.004 367 G CA 0.033 45.365 45.100 0.387 0.000 0.648 367 G HN 1.301 nan 8.290 nan 0.000 0.491 368 R N 0.189 120.872 120.500 0.305 0.000 2.778 368 R HA 0.745 5.085 4.340 -0.000 0.000 0.277 368 R C 1.175 177.573 176.300 0.162 0.000 0.977 368 R CA -0.083 56.148 56.100 0.218 0.000 0.950 368 R CB 1.605 32.053 30.300 0.247 0.000 1.165 368 R HN 0.397 nan 8.270 nan 0.000 0.474 369 S N -0.737 115.033 115.700 0.116 0.000 2.524 369 S HA -0.098 4.372 4.470 -0.000 0.000 0.216 369 S C 0.783 175.432 174.600 0.082 0.000 0.987 369 S CA 0.390 58.643 58.200 0.089 0.000 0.909 369 S CB -0.149 63.090 63.200 0.066 0.000 0.781 369 S HN 0.792 nan 8.310 nan 0.000 0.521 370 D N 1.119 121.574 120.400 0.092 0.000 2.349 370 D HA 0.161 4.801 4.640 -0.000 0.000 0.224 370 D C 1.444 177.780 176.300 0.059 0.000 1.029 370 D CA 0.603 54.644 54.000 0.068 0.000 0.879 370 D CB -0.899 39.941 40.800 0.066 0.000 0.906 370 D HN 0.535 nan 8.370 nan 0.000 0.528 371 G N 0.721 109.573 108.800 0.085 0.000 2.180 371 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.263 371 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.263 371 G C 0.280 175.223 174.900 0.071 0.000 0.989 371 G CA 0.250 45.398 45.100 0.079 0.000 0.692 371 G HN 0.322 nan 8.290 nan 0.000 0.526 372 K N -0.001 120.446 120.400 0.078 0.000 2.258 372 K HA 0.405 4.725 4.320 -0.000 0.000 0.264 372 K C 0.972 177.672 176.600 0.166 0.000 1.007 372 K CA -0.071 56.233 56.287 0.028 0.000 0.941 372 K CB 0.421 32.850 32.500 -0.118 0.000 0.966 372 K HN 0.185 nan 8.250 nan 0.000 0.480 373 M N 3.061 122.731 119.600 0.117 0.000 2.209 373 M HA 0.358 4.838 4.480 -0.000 0.000 0.355 373 M C -0.091 176.422 176.300 0.354 0.000 1.171 373 M CA -0.437 54.953 55.300 0.151 0.000 1.069 373 M CB 0.582 33.208 32.600 0.043 0.000 1.622 373 M HN 0.623 nan 8.290 nan 0.000 0.459 374 W N 2.790 124.169 121.300 0.132 0.000 3.055 374 W HA 0.794 5.454 4.660 -0.000 0.000 0.340 374 W C -1.456 175.033 176.519 -0.050 0.000 1.180 374 W CA -1.212 56.176 57.345 0.072 0.000 1.077 374 W CB 0.868 30.259 29.460 -0.115 0.000 1.479 374 W HN 0.913 nan 8.180 nan 0.000 0.593 375 c N -0.528 118.054 118.600 -0.030 0.000 3.311 375 c HA 0.853 5.423 4.570 -0.000 0.000 0.325 375 c C -0.126 173.667 174.090 -0.495 0.000 1.352 375 c CA -0.665 55.334 56.329 -0.549 0.000 1.308 375 c CB 1.007 43.440 42.510 -0.127 0.000 1.619 375 c HN 1.085 nan 8.230 nan 0.000 0.469 376 A N 1.008 123.044 122.820 -1.306 0.000 2.328 376 A HA 0.633 4.953 4.320 -0.000 0.000 0.284 376 A C 1.015 178.412 177.584 -0.312 0.000 1.160 376 A CA 0.425 52.138 52.037 -0.540 0.000 0.818 376 A CB 0.277 18.977 19.000 -0.500 0.000 1.087 376 A HN 1.754 nan 8.150 nan 0.000 0.504 377 T N -1.149 113.331 114.554 -0.124 0.000 3.144 377 T HA 0.282 4.632 4.350 -0.000 0.000 0.249 377 T C 0.454 175.122 174.700 -0.052 0.000 1.089 377 T CA 0.569 62.599 62.100 -0.116 0.000 0.989 377 T CB -0.580 68.227 68.868 -0.102 0.000 0.992 377 T HN 1.150 nan 8.240 nan 0.000 0.540 378 T N -1.096 113.458 114.554 -0.000 0.000 3.109 378 T HA 0.622 4.972 4.350 -0.000 0.000 0.311 378 T C 1.310 176.087 174.700 0.129 0.000 1.011 378 T CA -0.055 62.077 62.100 0.053 0.000 1.026 378 T CB 1.250 70.152 68.868 0.057 0.000 1.047 378 T HN 0.086 nan 8.240 nan 0.000 0.448 379 A N 3.742 126.646 122.820 0.140 0.000 2.144 379 A HA -0.137 4.183 4.320 -0.000 0.000 0.225 379 A C 1.132 178.872 177.584 0.259 0.000 1.181 379 A CA 1.728 53.886 52.037 0.203 0.000 0.680 379 A CB -0.620 18.468 19.000 0.147 0.000 0.819 379 A HN 0.838 nan 8.150 nan 0.000 0.485 380 N N -2.488 116.350 118.700 0.229 0.000 2.519 380 N HA 0.291 5.031 4.740 -0.000 0.000 0.286 380 N C -0.204 175.479 175.510 0.288 0.000 1.079 380 N CA -0.477 52.735 53.050 0.270 0.000 0.878 380 N CB 1.161 39.759 38.487 0.186 0.000 1.375 380 N HN 0.204 nan 8.380 nan 0.000 0.514 381 Y N 3.758 124.240 120.300 0.304 0.000 2.286 381 Y HA -0.002 4.548 4.550 -0.000 0.000 0.293 381 Y C 1.440 177.491 175.900 0.252 0.000 1.124 381 Y CA 1.524 59.801 58.100 0.296 0.000 1.178 381 Y CB 0.308 39.037 38.460 0.450 0.000 1.010 381 Y HN 0.508 nan 8.280 nan 0.000 0.536 382 D N 0.636 121.209 120.400 0.288 0.000 2.106 382 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 382 D C 1.444 177.720 176.300 -0.039 0.000 0.997 382 D CA 2.116 56.183 54.000 0.111 0.000 0.834 382 D CB -0.364 40.528 40.800 0.152 0.000 0.956 382 D HN 0.630 nan 8.370 nan 0.000 0.448 383 D N 0.123 120.527 120.400 0.006 0.000 2.183 383 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 383 D C 1.418 177.688 176.300 -0.050 0.000 0.962 383 D CA 0.695 54.686 54.000 -0.016 0.000 0.849 383 D CB -0.401 40.411 40.800 0.021 0.000 0.978 383 D HN 0.171 nan 8.370 nan 0.000 0.488 384 D N 0.607 120.979 120.400 -0.047 0.000 2.149 384 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 384 D C 0.506 176.718 176.300 -0.148 0.000 0.967 384 D CA 0.429 54.397 54.000 -0.054 0.000 0.848 384 D CB 0.113 40.919 40.800 0.011 0.000 0.998 384 D HN 0.116 nan 8.370 nan 0.000 0.474 385 R N 0.303 120.583 120.500 -0.367 0.000 3.531 385 R HA -0.113 4.227 4.340 -0.000 0.000 0.280 385 R C -0.453 175.769 176.300 -0.130 0.000 1.130 385 R CA 0.490 56.148 56.100 -0.737 0.000 0.757 385 R CB -1.385 28.598 30.300 -0.528 0.000 1.218 385 R HN 0.088 nan 8.270 nan 0.000 0.454 386 K N 1.537 121.986 120.400 0.081 0.000 2.404 386 K HA 0.203 4.523 4.320 -0.000 0.000 0.257 386 K C 0.103 176.868 176.600 0.274 0.000 1.026 386 K CA -0.268 56.113 56.287 0.158 0.000 0.951 386 K CB 0.892 33.419 32.500 0.045 0.000 1.203 386 K HN 0.236 nan 8.250 nan 0.000 0.446 387 W N 1.278 122.602 121.300 0.040 0.000 2.762 387 W HA 0.804 5.464 4.660 -0.000 0.000 0.355 387 W C -0.805 175.589 176.519 -0.208 0.000 1.124 387 W CA -1.246 56.041 57.345 -0.096 0.000 1.141 387 W CB 0.957 30.199 29.460 -0.363 0.000 1.432 387 W HN 0.494 nan 8.180 nan 0.000 0.586 388 G N 0.553 109.159 108.800 -0.324 0.000 2.720 388 G HA2 0.560 4.520 3.960 -0.000 0.000 0.295 388 G HA3 0.560 4.520 3.960 -0.000 0.000 0.295 388 G C -2.488 172.278 174.900 -0.222 0.000 1.437 388 G CA -0.899 43.854 45.100 -0.577 0.000 0.886 388 G HN 0.265 nan 8.290 nan 0.000 0.509 389 F N 0.456 120.293 119.950 -0.190 0.000 2.399 389 F HA 0.390 4.917 4.527 -0.000 0.000 0.342 389 F C 1.086 176.868 175.800 -0.029 0.000 1.106 389 F CA -1.126 56.877 58.000 0.005 0.000 1.196 389 F CB 1.163 40.152 39.000 -0.019 0.000 1.163 389 F HN 0.326 nan 8.300 nan 0.000 0.547 390 c N 5.965 124.717 118.600 0.253 0.000 2.555 390 c HA 0.263 4.833 4.570 -0.000 0.000 0.385 390 c C -1.839 172.265 174.090 0.024 0.000 1.296 390 c CA -1.295 55.091 56.329 0.095 0.000 1.757 390 c CB -0.697 41.860 42.510 0.078 0.000 2.445 390 c HN 0.467 nan 8.230 nan 0.000 0.571 391 P HA 0.072 nan 4.420 nan 0.000 0.265 391 P C -0.016 177.227 177.300 -0.096 0.000 1.187 391 P CA 0.582 63.639 63.100 -0.072 0.000 0.766 391 P CB 0.659 32.304 31.700 -0.091 0.000 0.820 392 D N 1.884 122.198 120.400 -0.143 0.000 2.482 392 D HA 0.062 4.702 4.640 -0.000 0.000 0.223 392 D C 0.823 177.013 176.300 -0.183 0.000 1.262 392 D CA 0.076 53.981 54.000 -0.157 0.000 1.125 392 D CB 0.110 40.793 40.800 -0.194 0.000 1.196 392 D HN 0.187 nan 8.370 nan 0.000 0.594 393 Q N -0.275 119.383 119.800 -0.236 0.000 2.354 393 Q HA 0.221 4.561 4.340 -0.000 0.000 0.203 393 Q C 0.979 176.761 176.000 -0.362 0.000 0.933 393 Q CA 0.782 56.434 55.803 -0.251 0.000 0.901 393 Q CB 0.148 28.756 28.738 -0.218 0.000 1.007 393 Q HN 0.733 nan 8.270 nan 0.000 0.495 394 G N 0.899 109.379 108.800 -0.535 0.000 2.801 394 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 394 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 394 G C -0.922 173.427 174.900 -0.917 0.000 1.385 394 G CA -0.252 44.417 45.100 -0.718 0.000 0.894 394 G HN 0.239 nan 8.290 nan 0.000 0.562 395 Y N -0.486 119.540 120.300 -0.457 0.000 2.420 395 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 395 Y C 0.937 176.812 175.900 -0.041 0.000 1.094 395 Y CA -0.234 57.594 58.100 -0.452 0.000 1.126 395 Y CB 2.066 40.005 38.460 -0.868 0.000 1.217 395 Y HN 0.710 nan 8.280 nan 0.000 0.462 396 S N 2.868 118.735 115.700 0.280 0.000 2.430 396 S HA 0.058 4.528 4.470 -0.000 0.000 0.282 396 S C 1.042 175.852 174.600 0.349 0.000 1.186 396 S CA -0.645 57.731 58.200 0.293 0.000 1.060 396 S CB 0.025 63.418 63.200 0.321 0.000 0.966 396 S HN 0.727 nan 8.310 nan 0.000 0.501 397 L N 6.834 128.233 121.223 0.294 0.000 2.081 397 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 397 L C 1.705 178.537 176.870 -0.064 0.000 1.080 397 L CA 2.004 56.855 54.840 0.020 0.000 0.754 397 L CB -1.262 40.646 42.059 -0.253 0.000 0.893 397 L HN 0.865 nan 8.230 nan 0.000 0.433 398 F N -0.473 119.410 119.950 -0.111 0.000 2.069 398 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 398 F C 2.121 177.842 175.800 -0.132 0.000 1.113 398 F CA 2.004 59.925 58.000 -0.133 0.000 1.214 398 F CB -0.522 38.424 39.000 -0.091 0.000 0.978 398 F HN 0.059 nan 8.300 nan 0.000 0.474 399 L N -0.524 120.534 121.223 -0.274 0.000 1.988 399 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 399 L C 2.391 179.150 176.870 -0.184 0.000 1.071 399 L CA 1.373 55.993 54.840 -0.366 0.000 0.744 399 L CB -1.018 41.057 42.059 0.026 0.000 0.893 399 L HN 0.020 nan 8.230 nan 0.000 0.433 400 V N 0.110 120.062 119.914 0.063 0.000 2.407 400 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 400 V C 2.691 178.768 176.094 -0.029 0.000 1.055 400 V CA 1.769 64.115 62.300 0.078 0.000 1.049 400 V CB -1.052 30.916 31.823 0.242 0.000 0.662 400 V HN 0.480 nan 8.190 nan 0.000 0.455 401 A N 0.116 122.889 122.820 -0.078 0.000 1.897 401 A HA 0.024 4.344 4.320 -0.000 0.000 0.215 401 A C 2.446 179.572 177.584 -0.764 0.000 1.181 401 A CA 1.676 53.505 52.037 -0.346 0.000 0.620 401 A CB -0.758 18.034 19.000 -0.348 0.000 0.821 401 A HN 0.551 nan 8.150 nan 0.000 0.443 402 A N -0.835 121.645 122.820 -0.566 0.000 1.978 402 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 402 A C 1.967 179.526 177.584 -0.043 0.000 1.170 402 A CA 2.200 53.997 52.037 -0.400 0.000 0.636 402 A CB -0.847 17.650 19.000 -0.838 0.000 0.810 402 A HN 0.793 nan 8.150 nan 0.000 0.448 403 H N -0.765 118.174 119.070 -0.218 0.000 2.276 403 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 403 H C 2.343 177.535 175.328 -0.227 0.000 1.073 403 H CA 1.988 57.965 56.048 -0.120 0.000 1.311 403 H CB -0.008 29.667 29.762 -0.145 0.000 1.379 403 H HN 0.359 nan 8.280 nan 0.000 0.494 404 Q N -0.019 119.666 119.800 -0.192 0.000 2.045 404 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 404 Q C 2.294 178.226 176.000 -0.113 0.000 0.991 404 Q CA 1.320 56.965 55.803 -0.264 0.000 0.851 404 Q CB -0.762 27.695 28.738 -0.468 0.000 0.911 404 Q HN 0.463 nan 8.270 nan 0.000 0.418 405 F N 0.646 120.497 119.950 -0.165 0.000 2.115 405 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 405 F C 2.489 178.100 175.800 -0.314 0.000 1.092 405 F CA 1.153 59.017 58.000 -0.226 0.000 1.245 405 F CB -1.611 37.128 39.000 -0.435 0.000 0.995 405 F HN 0.195 nan 8.300 nan 0.000 0.481 406 G N -1.135 107.524 108.800 -0.235 0.000 2.476 406 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 406 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 406 G C 1.568 176.297 174.900 -0.285 0.000 1.164 406 G CA 1.257 45.916 45.100 -0.735 0.000 0.768 406 G HN 0.329 nan 8.290 nan 0.000 0.560 407 H N 1.067 119.998 119.070 -0.231 0.000 2.265 407 H HA -0.033 4.523 4.556 -0.000 0.000 0.295 407 H C 2.931 178.209 175.328 -0.085 0.000 1.084 407 H CA 1.208 57.154 56.048 -0.170 0.000 1.261 407 H CB -0.929 28.736 29.762 -0.162 0.000 1.360 407 H HN 0.349 nan 8.280 nan 0.000 0.487 408 A N 0.444 123.362 122.820 0.164 0.000 2.194 408 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 408 A C 1.810 179.602 177.584 0.348 0.000 1.162 408 A CA 1.566 53.755 52.037 0.253 0.000 0.674 408 A CB -0.368 18.847 19.000 0.359 0.000 0.789 408 A HN 0.232 nan 8.150 nan 0.000 0.470 409 M N -1.761 117.962 119.600 0.205 0.000 2.431 409 M HA 0.227 4.707 4.480 -0.000 0.000 0.237 409 M C 1.340 177.758 176.300 0.197 0.000 1.130 409 M CA 0.553 56.051 55.300 0.330 0.000 1.002 409 M CB -0.641 32.027 32.600 0.114 0.000 1.524 409 M HN 0.778 nan 8.290 nan 0.000 0.482 410 G N 0.845 109.643 108.800 -0.003 0.000 2.159 410 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.227 410 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.227 410 G C 0.086 174.945 174.900 -0.069 0.000 0.986 410 G CA -0.322 44.723 45.100 -0.093 0.000 0.651 410 G HN 0.409 nan 8.290 nan 0.000 0.523 411 L N -0.238 120.961 121.223 -0.040 0.000 2.456 411 L HA 0.764 5.104 4.340 -0.000 0.000 0.257 411 L C 0.675 177.551 176.870 0.010 0.000 1.162 411 L CA -0.323 54.513 54.840 -0.007 0.000 0.808 411 L CB 1.168 43.204 42.059 -0.038 0.000 1.136 411 L HN 0.237 nan 8.230 nan 0.000 0.466 412 E N -1.477 118.744 120.200 0.036 0.000 2.410 412 E HA 0.323 4.673 4.350 -0.000 0.000 0.269 412 E C -1.163 175.546 176.600 0.182 0.000 0.937 412 E CA -0.698 55.689 56.400 -0.022 0.000 0.793 412 E CB 1.336 31.004 29.700 -0.053 0.000 1.314 412 E HN 0.390 nan 8.360 nan 0.000 0.447 413 H N -0.054 119.156 119.070 0.233 0.000 3.038 413 H HA 0.149 4.705 4.556 -0.000 0.000 0.338 413 H C -0.247 175.245 175.328 0.274 0.000 1.041 413 H CA 0.347 56.572 56.048 0.293 0.000 1.394 413 H CB 0.802 30.730 29.762 0.276 0.000 1.357 413 H HN 0.141 nan 8.280 nan 0.000 0.600 414 S N 1.485 117.414 115.700 0.383 0.000 2.549 414 S HA 0.096 4.566 4.470 -0.000 0.000 0.297 414 S C 0.663 175.263 174.600 0.000 0.000 1.115 414 S CA -0.820 57.479 58.200 0.165 0.000 1.059 414 S CB 1.706 64.992 63.200 0.143 0.000 1.046 414 S HN 0.745 nan 8.310 nan 0.000 0.506 415 Q N 0.976 120.621 119.800 -0.259 0.000 2.424 415 Q HA 0.083 4.423 4.340 -0.000 0.000 0.204 415 Q C -0.360 175.513 176.000 -0.212 0.000 0.933 415 Q CA 0.102 55.581 55.803 -0.539 0.000 0.929 415 Q CB 0.130 28.465 28.738 -0.672 0.000 1.037 415 Q HN 0.670 nan 8.270 nan 0.000 0.511 416 D N 1.459 121.808 120.400 -0.085 0.000 2.346 416 D HA 0.007 4.647 4.640 -0.000 0.000 0.260 416 D C -1.849 174.465 176.300 0.023 0.000 1.252 416 D CA -1.822 52.164 54.000 -0.023 0.000 0.895 416 D CB 1.344 42.145 40.800 0.002 0.000 1.097 416 D HN -0.049 nan 8.370 nan 0.000 0.489 417 P HA -0.036 nan 4.420 nan 0.000 0.221 417 P C 1.067 178.400 177.300 0.055 0.000 1.145 417 P CA 0.858 63.998 63.100 0.068 0.000 0.795 417 P CB 0.288 32.026 31.700 0.063 0.000 0.775 418 G N -1.302 107.519 108.800 0.035 0.000 2.986 418 G HA2 0.281 4.241 3.960 -0.000 0.000 0.213 418 G HA3 0.281 4.241 3.960 -0.000 0.000 0.213 418 G C 0.554 175.481 174.900 0.046 0.000 1.156 418 G CA 0.279 45.394 45.100 0.026 0.000 0.763 418 G HN 0.407 nan 8.290 nan 0.000 0.547 419 A N 0.189 123.050 122.820 0.068 0.000 2.425 419 A HA 0.441 4.761 4.320 -0.000 0.000 0.242 419 A C 1.389 179.074 177.584 0.168 0.000 1.077 419 A CA -0.372 51.724 52.037 0.099 0.000 0.781 419 A CB 0.527 19.591 19.000 0.106 0.000 1.020 419 A HN 0.396 nan 8.150 nan 0.000 0.494 420 L N 1.491 122.838 121.223 0.206 0.000 2.201 420 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 420 L C 1.543 178.616 176.870 0.339 0.000 1.105 420 L CA 1.726 56.746 54.840 0.300 0.000 0.775 420 L CB -0.336 41.917 42.059 0.324 0.000 0.913 420 L HN 0.635 nan 8.230 nan 0.000 0.440 421 M N 0.282 120.039 119.600 0.262 0.000 2.581 421 M HA 0.306 4.786 4.480 -0.000 0.000 0.224 421 M C 0.646 177.208 176.300 0.437 0.000 1.171 421 M CA -0.170 55.266 55.300 0.226 0.000 0.993 421 M CB -1.605 31.113 32.600 0.198 0.000 1.685 421 M HN 0.260 nan 8.290 nan 0.000 0.479 422 A N 1.030 124.073 122.820 0.371 0.000 2.401 422 A HA 0.439 4.759 4.320 -0.000 0.000 0.259 422 A C -1.497 176.174 177.584 0.145 0.000 1.103 422 A CA -1.020 51.166 52.037 0.247 0.000 0.789 422 A CB 0.087 19.190 19.000 0.172 0.000 1.035 422 A HN 0.187 nan 8.150 nan 0.000 0.491 423 P HA -0.099 nan 4.420 nan 0.000 0.211 423 P C 0.425 177.630 177.300 -0.159 0.000 1.179 423 P CA 0.701 63.568 63.100 -0.389 0.000 0.910 423 P CB -0.127 31.268 31.700 -0.508 0.000 0.785 424 I N -0.919 119.662 120.570 0.019 0.000 2.872 424 I HA -0.131 4.039 4.170 -0.000 0.000 0.291 424 I C 0.560 176.691 176.117 0.024 0.000 1.216 424 I CA 0.010 61.314 61.300 0.006 0.000 1.424 424 I CB -0.789 37.225 38.000 0.023 0.000 1.351 424 I HN 0.034 nan 8.210 nan 0.000 0.592 425 Y N 5.280 125.538 120.300 -0.070 0.000 2.320 425 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 425 Y C -0.104 175.827 175.900 0.051 0.000 1.055 425 Y CA -0.619 57.464 58.100 -0.028 0.000 1.143 425 Y CB 1.079 39.520 38.460 -0.032 0.000 1.193 425 Y HN 0.643 nan 8.280 nan 0.000 0.477 426 T N 3.906 118.086 114.554 -0.624 0.000 2.921 426 T HA 0.249 4.599 4.350 -0.000 0.000 0.297 426 T C -1.330 173.024 174.700 -0.575 0.000 1.013 426 T CA -0.712 61.102 62.100 -0.475 0.000 0.990 426 T CB 0.748 69.516 68.868 -0.166 0.000 1.023 426 T HN 0.614 nan 8.240 nan 0.000 0.447 427 Y N 3.036 123.024 120.300 -0.519 0.000 2.346 427 Y HA 0.505 5.055 4.550 -0.000 0.000 0.330 427 Y C -0.090 175.758 175.900 -0.087 0.000 1.178 427 Y CA -0.341 57.605 58.100 -0.256 0.000 1.331 427 Y CB 0.784 39.214 38.460 -0.051 0.000 1.253 427 Y HN 0.880 nan 8.280 nan 0.000 0.529 428 T N 6.350 120.481 114.554 -0.704 0.000 2.906 428 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 428 T C 0.721 174.937 174.700 -0.806 0.000 1.002 428 T CA -1.080 60.664 62.100 -0.592 0.000 0.988 428 T CB 1.684 70.489 68.868 -0.105 0.000 0.972 428 T HN 0.563 nan 8.240 nan 0.000 0.447 429 K N 2.259 122.192 120.400 -0.777 0.000 2.020 429 K HA -0.084 4.236 4.320 -0.000 0.000 0.212 429 K C 0.520 177.068 176.600 -0.085 0.000 1.050 429 K CA 1.407 57.490 56.287 -0.341 0.000 0.929 429 K CB -0.085 32.328 32.500 -0.145 0.000 0.714 429 K HN 0.574 nan 8.250 nan 0.000 0.443 430 N N 0.118 118.777 118.700 -0.067 0.000 2.558 430 N HA 0.087 4.827 4.740 -0.000 0.000 0.242 430 N C -1.449 174.092 175.510 0.051 0.000 0.979 430 N CA -0.386 52.671 53.050 0.012 0.000 0.931 430 N CB 0.215 38.694 38.487 -0.014 0.000 1.122 430 N HN -0.084 nan 8.380 nan 0.000 0.508 431 F N 3.918 123.867 119.950 -0.002 0.000 2.429 431 F HA 0.428 4.955 4.527 -0.000 0.000 0.348 431 F C 0.293 176.102 175.800 0.015 0.000 1.109 431 F CA -0.374 57.643 58.000 0.028 0.000 1.232 431 F CB 0.551 39.649 39.000 0.164 0.000 1.157 431 F HN 0.440 nan 8.300 nan 0.000 0.564 432 R N 6.902 126.781 120.500 -1.034 0.000 2.604 432 R HA 0.469 4.809 4.340 -0.000 0.000 0.281 432 R C -1.859 173.748 176.300 -1.154 0.000 1.020 432 R CA -1.018 54.593 56.100 -0.816 0.000 0.899 432 R CB 1.118 31.192 30.300 -0.377 0.000 1.205 432 R HN 0.776 nan 8.270 nan 0.000 0.450 433 L N 1.769 122.524 121.223 -0.781 0.000 2.482 433 L HA 0.105 4.445 4.340 -0.000 0.000 0.273 433 L C 0.385 177.076 176.870 -0.299 0.000 1.228 433 L CA 0.264 54.809 54.840 -0.492 0.000 0.827 433 L CB 1.410 43.305 42.059 -0.273 0.000 1.099 433 L HN 0.867 nan 8.230 nan 0.000 0.494 434 S N 0.964 116.568 115.700 -0.161 0.000 2.489 434 S HA 0.110 4.580 4.470 -0.000 0.000 0.291 434 S C 0.533 175.118 174.600 -0.025 0.000 1.151 434 S CA -0.657 57.494 58.200 -0.082 0.000 1.082 434 S CB 1.788 64.970 63.200 -0.029 0.000 1.019 434 S HN 0.641 nan 8.310 nan 0.000 0.492 435 Q N 2.913 122.700 119.800 -0.021 0.000 2.173 435 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 435 Q C 1.295 177.316 176.000 0.036 0.000 0.989 435 Q CA 2.750 58.557 55.803 0.007 0.000 0.872 435 Q CB -0.505 28.234 28.738 0.000 0.000 0.909 435 Q HN 0.935 nan 8.270 nan 0.000 0.420 436 D N -0.592 119.830 120.400 0.037 0.000 2.104 436 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 436 D C 1.180 177.544 176.300 0.106 0.000 0.994 436 D CA 1.715 55.752 54.000 0.061 0.000 0.830 436 D CB -0.125 40.707 40.800 0.054 0.000 0.959 436 D HN 0.361 nan 8.370 nan 0.000 0.452 437 D N -0.317 120.157 120.400 0.123 0.000 2.084 437 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 437 D C 2.340 178.789 176.300 0.247 0.000 0.985 437 D CA 0.717 54.849 54.000 0.220 0.000 0.826 437 D CB -0.274 40.634 40.800 0.180 0.000 0.978 437 D HN 0.310 nan 8.370 nan 0.000 0.456 438 I N 1.600 122.256 120.570 0.142 0.000 2.151 438 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 438 I C 2.486 178.706 176.117 0.171 0.000 1.080 438 I CA 1.317 62.709 61.300 0.152 0.000 1.339 438 I CB -0.301 37.746 38.000 0.079 0.000 1.039 438 I HN -0.044 nan 8.210 nan 0.000 0.409 439 K N 0.787 121.263 120.400 0.127 0.000 2.009 439 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 439 K C 2.237 178.917 176.600 0.134 0.000 1.049 439 K CA 1.882 58.236 56.287 0.110 0.000 0.929 439 K CB -0.696 31.851 32.500 0.077 0.000 0.714 439 K HN 0.387 nan 8.250 nan 0.000 0.440 440 G N 1.413 110.307 108.800 0.155 0.000 2.446 440 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 440 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 440 G C 1.485 176.498 174.900 0.189 0.000 1.168 440 G CA 1.052 46.244 45.100 0.153 0.000 0.771 440 G HN 0.389 nan 8.290 nan 0.000 0.551 441 I N 0.233 120.980 120.570 0.295 0.000 2.252 441 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 441 I C 2.845 179.176 176.117 0.357 0.000 1.102 441 I CA 1.481 63.002 61.300 0.367 0.000 1.385 441 I CB -0.183 38.165 38.000 0.579 0.000 1.064 441 I HN 0.220 nan 8.210 nan 0.000 0.414 442 Q N 0.119 120.084 119.800 0.275 0.000 2.119 442 Q HA -0.241 4.099 4.340 -0.000 0.000 0.201 442 Q C 1.867 177.960 176.000 0.154 0.000 0.972 442 Q CA 1.754 57.690 55.803 0.221 0.000 0.847 442 Q CB -0.171 28.667 28.738 0.167 0.000 0.903 442 Q HN 0.717 nan 8.270 nan 0.000 0.433 443 E N -0.112 120.155 120.200 0.112 0.000 2.472 443 E HA -0.135 4.215 4.350 -0.000 0.000 0.200 443 E C 1.553 178.158 176.600 0.008 0.000 1.046 443 E CA 0.534 56.967 56.400 0.056 0.000 0.871 443 E CB -0.009 29.717 29.700 0.043 0.000 0.806 443 E HN 0.345 nan 8.360 nan 0.000 0.533 444 L N -0.868 120.355 121.223 0.001 0.000 2.316 444 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 444 L C 1.101 177.754 176.870 -0.360 0.000 1.070 444 L CA 0.603 55.316 54.840 -0.212 0.000 0.820 444 L CB 0.249 42.130 42.059 -0.296 0.000 0.992 444 L HN 0.136 nan 8.230 nan 0.000 0.466 445 Y N -0.682 119.664 120.300 0.077 0.000 2.527 445 Y HA 0.437 4.987 4.550 -0.000 0.000 0.247 445 Y C 1.135 177.080 175.900 0.075 0.000 1.138 445 Y CA 0.178 58.327 58.100 0.081 0.000 1.228 445 Y CB 0.683 39.209 38.460 0.109 0.000 1.252 445 Y HN 0.135 nan 8.280 nan 0.000 0.531 446 G N 1.080 109.994 108.800 0.190 0.000 2.796 446 G HA2 0.108 4.068 3.960 -0.000 0.000 0.571 446 G HA3 0.108 4.068 3.960 -0.000 0.000 0.571 446 G C -0.502 174.494 174.900 0.160 0.000 1.370 446 G CA -0.680 44.502 45.100 0.137 0.000 0.856 446 G HN 0.571 nan 8.290 nan 0.000 0.538 447 A N -0.331 122.561 122.820 0.120 0.000 2.281 447 A HA 0.927 5.247 4.320 -0.000 0.000 0.329 447 A C 1.011 178.656 177.584 0.102 0.000 1.122 447 A CA 0.803 52.910 52.037 0.117 0.000 0.850 447 A CB 0.643 19.698 19.000 0.092 0.000 1.207 447 A HN 2.466 nan 8.150 nan 0.000 0.495 448 S N 1.504 117.264 115.700 0.100 0.000 2.593 448 S HA 0.234 4.704 4.470 -0.000 0.000 0.300 448 S C -2.356 172.284 174.600 0.066 0.000 1.267 448 S CA -0.602 57.648 58.200 0.084 0.000 1.065 448 S CB -0.849 62.400 63.200 0.080 0.000 0.807 448 S HN 0.521 nan 8.310 nan 0.000 0.499 449 P HA 0.176 nan 4.420 nan 0.000 0.267 449 P C 0.063 177.388 177.300 0.041 0.000 1.200 449 P CA -0.153 62.976 63.100 0.048 0.000 0.772 449 P CB 0.328 32.053 31.700 0.042 0.000 0.855 450 D N 0.000 120.421 120.400 0.036 0.000 6.856 450 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 450 D CA 0.000 54.018 54.000 0.030 0.000 0.868 450 D CB 0.000 40.816 40.800 0.026 0.000 0.688 450 D HN 0.000 nan 8.370 nan 0.000 0.683