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 1gso_1_A DATA FIRST_RESID -2 DATA SEQUENCE EFXMKVLVIG NGGREHALAW KAAQSPLVET VFVAPGNAGT ALEPALQNVA DATA SEQUENCE IGVTDIPALL DFAQNEKIDL TIVGPEAPLV KGVVDTFRAA GLKIFGPTAG DATA SEQUENCE AAQLEGSKAF TKDFLARHKI PTAEYQNFTE VEPALAYLRE KGAPIVIKAX DATA SEQUENCE XXXXXKGVIV AMTLEEAEAA VHDMLAGNAF GDAGHRIVIE EFLDGEEASF DATA SEQUENCE IVMVDGEHVL PMATSQDHKR VGDKDTGPNT GGMGAYSPAP VVTDDVHQRT DATA SEQUENCE MERIIWPTVK GMAAEGNTYT GFLYAGLMID KQGNPKVIEF NCRFGDLETQ DATA SEQUENCE PIMLRMKSDL VELCLAACES KLDEKTSEWD ERASLGVVMA AGGYPGDYRT DATA SEQUENCE GDVIHGLPLE EVAGGKVFHA GTKLAXXXQV VTNGGRVLCV TALGHTVAEA DATA SEQUENCE QKRAYALMTD IHWDDCFCRK DIGWRAIER 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 -2 E HA 0.000 nan 4.350 nan 0.000 0.291 -2 E C 0.000 176.206 176.600 -0.656 0.000 1.382 -2 E CA 0.000 56.134 56.400 -0.443 0.000 0.976 -2 E CB 0.000 29.574 29.700 -0.210 0.000 0.812 2 K N 1.665 122.138 120.400 0.121 0.000 2.376 2 K HA 0.785 5.105 4.320 -0.001 0.000 0.257 2 K C -1.482 175.230 176.600 0.187 0.000 0.939 2 K CA -0.760 55.624 56.287 0.161 0.000 0.809 2 K CB 2.798 35.443 32.500 0.241 0.000 1.121 2 K HN 0.384 nan 8.250 nan 0.000 0.425 3 V N 3.460 123.485 119.914 0.184 0.000 2.667 3 V HA 0.434 4.553 4.120 -0.001 0.000 0.308 3 V C -0.841 175.428 176.094 0.293 0.000 1.048 3 V CA -1.044 61.372 62.300 0.193 0.000 0.928 3 V CB 1.808 33.701 31.823 0.117 0.000 1.004 3 V HN 0.554 nan 8.190 nan 0.000 0.444 4 L N 4.877 126.271 121.223 0.285 0.000 2.356 4 L HA 0.734 5.074 4.340 -0.001 0.000 0.277 4 L C -0.787 176.205 176.870 0.203 0.000 0.996 4 L CA -0.050 54.979 54.840 0.316 0.000 0.822 4 L CB 1.819 44.098 42.059 0.367 0.000 1.256 4 L HN 0.418 nan 8.230 nan 0.000 0.413 5 V N 6.680 126.696 119.914 0.169 0.000 2.384 5 V HA 0.455 4.575 4.120 -0.001 0.000 0.287 5 V C 0.171 176.313 176.094 0.080 0.000 1.020 5 V CA -0.460 61.912 62.300 0.120 0.000 0.850 5 V CB 1.540 33.431 31.823 0.113 0.000 0.987 5 V HN 0.623 nan 8.190 nan 0.000 0.436 6 I N 4.838 125.439 120.570 0.051 0.000 2.342 6 I HA 0.762 4.932 4.170 -0.001 0.000 0.291 6 I C 0.832 176.959 176.117 0.016 0.000 1.010 6 I CA 0.385 61.693 61.300 0.013 0.000 1.308 6 I CB 1.124 39.107 38.000 -0.029 0.000 1.400 6 I HN 0.850 nan 8.210 nan 0.000 0.488 7 G N 4.848 113.651 108.800 0.004 0.000 2.369 7 G HA2 0.021 3.981 3.960 -0.001 0.000 0.307 7 G HA3 0.021 3.981 3.960 -0.001 0.000 0.307 7 G C -0.918 173.981 174.900 -0.003 0.000 1.327 7 G CA -0.496 44.606 45.100 0.003 0.000 0.963 7 G HN 0.803 nan 8.290 nan 0.000 0.590 8 N N -1.311 117.386 118.700 -0.006 0.000 2.286 8 N HA 0.467 5.206 4.740 -0.001 0.000 0.245 8 N C 0.561 176.066 175.510 -0.008 0.000 1.363 8 N CA 0.708 53.751 53.050 -0.012 0.000 0.822 8 N CB 0.956 39.431 38.487 -0.020 0.000 1.345 8 N HN 1.015 nan 8.380 nan 0.000 0.494 9 G N -0.854 107.944 108.800 -0.003 0.000 2.971 9 G HA2 0.527 4.487 3.960 -0.001 0.000 0.235 9 G HA3 0.527 4.487 3.960 -0.001 0.000 0.235 9 G C 0.717 175.628 174.900 0.018 0.000 1.351 9 G CA -0.512 44.585 45.100 -0.005 0.000 1.039 9 G HN 0.097 nan 8.290 nan 0.000 0.563 10 G N -0.869 107.927 108.800 -0.008 0.000 2.408 10 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.217 10 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.217 10 G C 1.671 176.483 174.900 -0.147 0.000 1.150 10 G CA 1.082 46.168 45.100 -0.024 0.000 0.776 10 G HN 0.543 nan 8.290 nan 0.000 0.542 11 R N 0.546 120.957 120.500 -0.150 0.000 2.083 11 R HA -0.114 4.225 4.340 -0.001 0.000 0.237 11 R C 2.362 178.566 176.300 -0.161 0.000 1.137 11 R CA 1.890 57.864 56.100 -0.211 0.000 0.951 11 R CB -0.219 30.001 30.300 -0.134 0.000 0.851 11 R HN 0.311 nan 8.270 nan 0.000 0.434 12 E N -0.727 119.444 120.200 -0.049 0.000 2.107 12 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 12 E C 1.833 178.487 176.600 0.090 0.000 0.982 12 E CA 1.187 57.598 56.400 0.018 0.000 0.809 12 E CB -0.315 29.404 29.700 0.032 0.000 0.756 12 E HN 0.423 nan 8.360 nan 0.000 0.459 13 H N 0.502 119.558 119.070 -0.024 0.000 2.353 13 H HA 0.066 4.621 4.556 -0.001 0.000 0.300 13 H C 1.801 177.185 175.328 0.094 0.000 1.090 13 H CA 1.780 57.864 56.048 0.059 0.000 1.327 13 H CB -0.375 29.450 29.762 0.104 0.000 1.383 13 H HN 0.148 nan 8.280 nan 0.000 0.508 14 A N 0.809 123.528 122.820 -0.168 0.000 1.873 14 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 14 A C 2.856 180.445 177.584 0.009 0.000 1.186 14 A CA 1.350 53.154 52.037 -0.388 0.000 0.616 14 A CB -0.923 17.510 19.000 -0.945 0.000 0.823 14 A HN 0.431 nan 8.150 nan 0.000 0.442 15 L N -0.752 120.435 121.223 -0.060 0.000 2.017 15 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 15 L C 3.108 180.042 176.870 0.108 0.000 1.073 15 L CA 1.192 56.037 54.840 0.008 0.000 0.745 15 L CB -0.546 41.521 42.059 0.014 0.000 0.894 15 L HN 0.449 nan 8.230 nan 0.000 0.432 16 A N -0.762 122.150 122.820 0.153 0.000 1.930 16 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 16 A C 1.995 179.700 177.584 0.202 0.000 1.175 16 A CA 1.412 53.545 52.037 0.160 0.000 0.627 16 A CB -1.007 18.087 19.000 0.157 0.000 0.815 16 A HN 0.641 nan 8.150 nan 0.000 0.443 17 W N 1.137 122.504 121.300 0.110 0.000 2.355 17 W HA -0.206 4.453 4.660 -0.001 0.000 0.309 17 W C 2.026 178.577 176.519 0.052 0.000 1.206 17 W CA 2.297 59.711 57.345 0.115 0.000 1.284 17 W CB -0.054 29.528 29.460 0.203 0.000 1.145 17 W HN 0.217 nan 8.180 nan 0.000 0.502 18 K N 0.895 121.323 120.400 0.047 0.000 2.057 18 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 18 K C 2.155 178.642 176.600 -0.188 0.000 1.050 18 K CA 2.149 58.300 56.287 -0.227 0.000 0.935 18 K CB -1.043 31.447 32.500 -0.017 0.000 0.715 18 K HN 0.102 nan 8.250 nan 0.000 0.439 19 A N 0.610 123.392 122.820 -0.064 0.000 1.940 19 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 19 A C 2.323 179.855 177.584 -0.086 0.000 1.176 19 A CA 2.043 54.050 52.037 -0.049 0.000 0.631 19 A CB -1.045 17.962 19.000 0.013 0.000 0.814 19 A HN 0.430 nan 8.150 nan 0.000 0.446 20 A N -0.872 121.884 122.820 -0.106 0.000 2.121 20 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 20 A C 1.955 179.430 177.584 -0.182 0.000 1.154 20 A CA 1.312 53.275 52.037 -0.125 0.000 0.679 20 A CB -0.437 18.502 19.000 -0.101 0.000 0.795 20 A HN 0.691 nan 8.150 nan 0.000 0.458 21 Q N -0.197 119.449 119.800 -0.257 0.000 2.378 21 Q HA 0.025 4.365 4.340 -0.001 0.000 0.205 21 Q C 0.804 176.698 176.000 -0.176 0.000 0.954 21 Q CA 0.385 56.028 55.803 -0.268 0.000 0.901 21 Q CB -0.026 28.481 28.738 -0.385 0.000 0.981 21 Q HN 0.514 nan 8.270 nan 0.000 0.483 22 S N 1.801 117.419 115.700 -0.137 0.000 2.533 22 S HA 0.064 4.534 4.470 -0.001 0.000 0.282 22 S C -1.499 173.064 174.600 -0.062 0.000 1.304 22 S CA -1.434 56.714 58.200 -0.088 0.000 1.063 22 S CB 0.768 63.932 63.200 -0.061 0.000 0.881 22 S HN 0.076 nan 8.310 nan 0.000 0.493 23 P HA -0.013 nan 4.420 nan 0.000 0.233 23 P C 1.139 178.487 177.300 0.080 0.000 1.167 23 P CA 0.651 63.742 63.100 -0.014 0.000 0.770 23 P CB 0.070 31.770 31.700 -0.000 0.000 0.837 24 L N -0.977 120.297 121.223 0.084 0.000 2.313 24 L HA 0.027 4.366 4.340 -0.001 0.000 0.214 24 L C 1.042 178.022 176.870 0.183 0.000 1.119 24 L CA 0.467 55.399 54.840 0.153 0.000 0.809 24 L CB -0.295 41.804 42.059 0.067 0.000 0.933 24 L HN -0.215 nan 8.230 nan 0.000 0.449 25 V N 0.231 120.192 119.914 0.079 0.000 2.532 25 V HA 0.080 4.199 4.120 -0.001 0.000 0.295 25 V C 0.880 176.957 176.094 -0.027 0.000 1.041 25 V CA -0.394 61.931 62.300 0.043 0.000 0.926 25 V CB 1.641 33.462 31.823 -0.003 0.000 0.992 25 V HN 0.324 nan 8.190 nan 0.000 0.457 26 E N 1.760 121.953 120.200 -0.012 0.000 2.434 26 E HA 0.219 4.568 4.350 -0.001 0.000 0.207 26 E C 0.064 176.603 176.600 -0.102 0.000 0.929 26 E CA 0.047 56.393 56.400 -0.089 0.000 1.001 26 E CB 0.969 30.641 29.700 -0.046 0.000 1.016 26 E HN 0.608 nan 8.360 nan 0.000 0.502 27 T N 0.574 115.070 114.554 -0.097 0.000 2.982 27 T HA 0.412 4.762 4.350 -0.001 0.000 0.321 27 T C -1.424 173.148 174.700 -0.213 0.000 1.229 27 T CA -0.659 61.313 62.100 -0.214 0.000 1.044 27 T CB 2.387 71.053 68.868 -0.337 0.000 1.184 27 T HN -0.028 nan 8.240 nan 0.000 0.477 28 V N 3.171 122.926 119.914 -0.266 0.000 2.443 28 V HA 0.555 4.674 4.120 -0.001 0.000 0.293 28 V C -1.042 174.935 176.094 -0.193 0.000 1.021 28 V CA -0.833 61.389 62.300 -0.130 0.000 0.848 28 V CB 0.884 32.690 31.823 -0.029 0.000 0.998 28 V HN 0.794 nan 8.190 nan 0.000 0.424 29 F N 3.541 123.559 119.950 0.112 0.000 2.385 29 F HA 0.677 5.204 4.527 -0.001 0.000 0.336 29 F C 0.237 176.068 175.800 0.052 0.000 1.100 29 F CA -0.635 57.428 58.000 0.105 0.000 1.116 29 F CB 1.813 40.953 39.000 0.232 0.000 1.166 29 F HN 0.185 nan 8.300 nan 0.000 0.511 30 V N 2.272 122.294 119.914 0.181 0.000 2.525 30 V HA 0.719 4.838 4.120 -0.001 0.000 0.299 30 V C -0.549 175.549 176.094 0.007 0.000 1.034 30 V CA -1.026 61.321 62.300 0.077 0.000 0.863 30 V CB 1.374 33.220 31.823 0.038 0.000 0.999 30 V HN 0.877 nan 8.190 nan 0.000 0.423 31 A N 6.999 129.804 122.820 -0.026 0.000 2.285 31 A HA 0.817 5.137 4.320 -0.001 0.000 0.310 31 A C -1.884 175.670 177.584 -0.051 0.000 1.266 31 A CA -1.490 50.496 52.037 -0.085 0.000 0.832 31 A CB 1.382 20.289 19.000 -0.155 0.000 1.163 31 A HN 0.609 nan 8.150 nan 0.000 0.499 32 P HA 0.202 nan 4.420 nan 0.000 0.257 32 P C 0.893 178.166 177.300 -0.045 0.000 1.241 32 P CA 1.082 64.148 63.100 -0.057 0.000 0.816 32 P CB 0.418 32.088 31.700 -0.050 0.000 1.150 33 G N 1.489 110.268 108.800 -0.035 0.000 2.750 33 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.228 33 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.228 33 G C -0.591 174.277 174.900 -0.055 0.000 1.367 33 G CA 0.030 45.104 45.100 -0.042 0.000 0.871 33 G HN 0.682 nan 8.290 nan 0.000 0.560 34 N N -2.501 116.148 118.700 -0.085 0.000 3.418 34 N HA 0.778 5.518 4.740 -0.001 0.000 0.316 34 N C 1.262 176.694 175.510 -0.129 0.000 1.601 34 N CA 0.785 53.785 53.050 -0.083 0.000 0.805 34 N CB 0.507 38.965 38.487 -0.050 0.000 1.873 34 N HN 1.642 nan 8.380 nan 0.000 0.615 35 A N -0.682 122.078 122.820 -0.101 0.000 1.969 35 A HA 0.156 4.476 4.320 -0.001 0.000 0.218 35 A C 1.879 179.235 177.584 -0.379 0.000 1.169 35 A CA 1.883 53.837 52.037 -0.139 0.000 0.635 35 A CB -1.640 17.348 19.000 -0.020 0.000 0.810 35 A HN 0.767 nan 8.150 nan 0.000 0.445 36 G N -0.253 108.159 108.800 -0.647 0.000 2.418 36 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 36 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 36 G C 1.738 176.083 174.900 -0.924 0.000 1.158 36 G CA 1.977 46.350 45.100 -1.211 0.000 0.771 36 G HN 0.652 nan 8.290 nan 0.000 0.545 37 T N -0.771 113.368 114.554 -0.692 0.000 2.857 37 T HA 0.253 4.603 4.350 -0.001 0.000 0.266 37 T C 2.568 177.130 174.700 -0.231 0.000 1.048 37 T CA 1.476 63.330 62.100 -0.411 0.000 1.139 37 T CB -0.289 68.444 68.868 -0.224 0.000 0.874 37 T HN 0.300 nan 8.240 nan 0.000 0.455 38 A N 1.562 124.255 122.820 -0.212 0.000 1.972 38 A HA 0.210 4.529 4.320 -0.001 0.000 0.219 38 A C 2.355 179.861 177.584 -0.129 0.000 1.169 38 A CA 1.061 53.018 52.037 -0.134 0.000 0.635 38 A CB -0.856 18.076 19.000 -0.113 0.000 0.810 38 A HN 0.548 nan 8.150 nan 0.000 0.446 39 L N -0.229 120.886 121.223 -0.181 0.000 2.313 39 L HA -0.012 4.327 4.340 -0.001 0.000 0.214 39 L C 0.333 177.150 176.870 -0.088 0.000 1.119 39 L CA 0.103 54.861 54.840 -0.136 0.000 0.809 39 L CB -0.257 41.697 42.059 -0.174 0.000 0.933 39 L HN 0.273 nan 8.230 nan 0.000 0.449 40 E N 0.437 120.587 120.200 -0.083 0.000 2.324 40 E HA 0.043 4.392 4.350 -0.001 0.000 0.271 40 E C -1.543 175.046 176.600 -0.018 0.000 1.028 40 E CA -1.508 54.891 56.400 -0.001 0.000 0.890 40 E CB 0.949 30.690 29.700 0.068 0.000 1.004 40 E HN -0.014 nan 8.360 nan 0.000 0.431 41 P HA -0.191 nan 4.420 nan 0.000 0.215 41 P C 0.900 178.171 177.300 -0.050 0.000 1.157 41 P CA 1.778 64.861 63.100 -0.029 0.000 0.874 41 P CB 0.260 31.946 31.700 -0.024 0.000 0.790 42 A N -2.270 120.520 122.820 -0.050 0.000 2.206 42 A HA 0.067 4.387 4.320 -0.001 0.000 0.211 42 A C 0.634 178.152 177.584 -0.109 0.000 1.158 42 A CA 0.636 52.623 52.037 -0.083 0.000 0.761 42 A CB -0.787 18.163 19.000 -0.083 0.000 0.801 42 A HN 0.069 nan 8.150 nan 0.000 0.473 43 L N 0.178 121.353 121.223 -0.079 0.000 2.334 43 L HA 0.497 4.836 4.340 -0.001 0.000 0.275 43 L C -0.366 176.442 176.870 -0.103 0.000 1.036 43 L CA -0.092 54.693 54.840 -0.092 0.000 0.807 43 L CB 1.523 43.562 42.059 -0.032 0.000 1.231 43 L HN 0.156 nan 8.230 nan 0.000 0.438 44 Q N 2.043 121.775 119.800 -0.114 0.000 2.304 44 Q HA 0.422 4.761 4.340 -0.001 0.000 0.270 44 Q C -1.116 174.938 176.000 0.090 0.000 1.035 44 Q CA -0.786 55.005 55.803 -0.020 0.000 0.781 44 Q CB 2.119 30.846 28.738 -0.018 0.000 1.261 44 Q HN 0.440 nan 8.270 nan 0.000 0.444 45 N N 0.708 119.438 118.700 0.049 0.000 2.530 45 N HA 0.349 5.088 4.740 -0.001 0.000 0.273 45 N C -0.702 174.828 175.510 0.033 0.000 1.173 45 N CA -0.093 52.974 53.050 0.028 0.000 0.967 45 N CB 1.164 39.639 38.487 -0.020 0.000 1.109 45 N HN 0.201 nan 8.380 nan 0.000 0.453 46 V N 0.919 120.803 119.914 -0.050 0.000 2.483 46 V HA 0.459 4.578 4.120 -0.001 0.000 0.297 46 V C 0.132 176.128 176.094 -0.163 0.000 1.027 46 V CA -1.219 60.974 62.300 -0.178 0.000 0.855 46 V CB 1.414 32.913 31.823 -0.539 0.000 0.995 46 V HN 0.748 nan 8.190 nan 0.000 0.424 47 A N 7.247 129.999 122.820 -0.114 0.000 3.026 47 A HA 0.617 4.937 4.320 -0.001 0.000 0.272 47 A C -0.095 177.435 177.584 -0.089 0.000 1.782 47 A CA 0.300 52.287 52.037 -0.082 0.000 1.451 47 A CB -0.891 18.079 19.000 -0.049 0.000 1.081 47 A HN 0.733 nan 8.150 nan 0.000 0.611 48 I N 0.788 121.293 120.570 -0.108 0.000 2.619 48 I HA 0.410 4.580 4.170 -0.001 0.000 0.292 48 I C 0.820 176.901 176.117 -0.061 0.000 1.100 48 I CA -0.810 60.439 61.300 -0.086 0.000 1.043 48 I CB 2.256 40.183 38.000 -0.121 0.000 1.239 48 I HN 0.476 nan 8.210 nan 0.000 0.420 49 G N 3.016 111.795 108.800 -0.036 0.000 2.483 49 G HA2 0.336 4.296 3.960 -0.001 0.000 0.248 49 G HA3 0.336 4.296 3.960 -0.001 0.000 0.248 49 G C 1.141 176.028 174.900 -0.022 0.000 1.248 49 G CA -0.323 44.762 45.100 -0.026 0.000 0.838 49 G HN 0.666 nan 8.290 nan 0.000 0.566 50 V N -0.247 119.654 119.914 -0.021 0.000 2.720 50 V HA -0.086 4.034 4.120 -0.001 0.000 0.256 50 V C 2.071 178.154 176.094 -0.018 0.000 1.082 50 V CA 2.186 64.473 62.300 -0.022 0.000 1.101 50 V CB -1.054 30.756 31.823 -0.021 0.000 0.693 50 V HN 0.798 nan 8.190 nan 0.000 0.479 51 T N -3.878 110.669 114.554 -0.011 0.000 3.069 51 T HA 0.173 4.523 4.350 -0.001 0.000 0.252 51 T C 0.645 175.346 174.700 0.003 0.000 1.053 51 T CA 0.356 62.452 62.100 -0.007 0.000 0.964 51 T CB -0.159 68.705 68.868 -0.007 0.000 1.005 51 T HN 0.425 nan 8.240 nan 0.000 0.532 52 D N 1.918 122.323 120.400 0.007 0.000 2.631 52 D HA 0.194 4.833 4.640 -0.001 0.000 0.227 52 D C 1.241 177.566 176.300 0.042 0.000 1.146 52 D CA -0.780 53.231 54.000 0.018 0.000 1.009 52 D CB -0.222 40.584 40.800 0.010 0.000 1.057 52 D HN 0.125 nan 8.370 nan 0.000 0.509 53 I N 2.554 123.153 120.570 0.049 0.000 2.163 53 I HA -0.182 3.987 4.170 -0.001 0.000 0.243 53 I C -0.616 175.569 176.117 0.114 0.000 1.085 53 I CA 1.005 62.361 61.300 0.093 0.000 1.347 53 I CB -2.221 35.825 38.000 0.078 0.000 1.044 53 I HN 0.282 nan 8.210 nan 0.000 0.408 54 P HA -0.109 nan 4.420 nan 0.000 0.215 54 P C 1.722 179.057 177.300 0.058 0.000 1.153 54 P CA 1.995 65.126 63.100 0.052 0.000 0.853 54 P CB 0.026 31.744 31.700 0.030 0.000 0.788 55 A N -0.861 121.996 122.820 0.061 0.000 1.898 55 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 55 A C 2.182 179.836 177.584 0.115 0.000 1.181 55 A CA 1.234 53.310 52.037 0.066 0.000 0.620 55 A CB -1.566 17.457 19.000 0.038 0.000 0.819 55 A HN 0.097 nan 8.150 nan 0.000 0.442 56 L N -1.020 120.292 121.223 0.148 0.000 2.046 56 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 56 L C 2.548 179.627 176.870 0.347 0.000 1.077 56 L CA 1.121 56.116 54.840 0.258 0.000 0.747 56 L CB -0.510 41.706 42.059 0.261 0.000 0.896 56 L HN 0.461 nan 8.230 nan 0.000 0.432 57 L N 0.385 121.738 121.223 0.218 0.000 2.017 57 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 57 L C 2.044 178.844 176.870 -0.117 0.000 1.073 57 L CA 2.152 56.914 54.840 -0.131 0.000 0.745 57 L CB -0.607 41.384 42.059 -0.113 0.000 0.894 57 L HN 0.260 nan 8.230 nan 0.000 0.432 58 D N -1.534 118.860 120.400 -0.011 0.000 2.123 58 D HA -0.317 4.322 4.640 -0.001 0.000 0.196 58 D C 2.060 178.356 176.300 -0.006 0.000 0.992 58 D CA 1.591 55.581 54.000 -0.017 0.000 0.833 58 D CB -0.292 40.518 40.800 0.017 0.000 0.954 58 D HN 0.395 nan 8.370 nan 0.000 0.455 59 F N 0.876 120.784 119.950 -0.071 0.000 2.084 59 F HA -0.039 4.488 4.527 -0.001 0.000 0.296 59 F C 2.171 177.903 175.800 -0.114 0.000 1.111 59 F CA 1.702 59.645 58.000 -0.095 0.000 1.224 59 F CB -0.669 38.283 39.000 -0.080 0.000 0.991 59 F HN 0.028 nan 8.300 nan 0.000 0.471 60 A N -0.056 122.755 122.820 -0.015 0.000 1.940 60 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 60 A C 2.126 179.564 177.584 -0.244 0.000 1.176 60 A CA 2.000 53.967 52.037 -0.116 0.000 0.631 60 A CB -0.835 18.153 19.000 -0.021 0.000 0.814 60 A HN 0.649 nan 8.150 nan 0.000 0.446 61 Q N -0.696 118.959 119.800 -0.241 0.000 2.049 61 Q HA -0.116 4.223 4.340 -0.001 0.000 0.198 61 Q C 1.836 177.715 176.000 -0.203 0.000 0.971 61 Q CA 1.289 56.969 55.803 -0.206 0.000 0.833 61 Q CB -0.188 28.444 28.738 -0.177 0.000 0.896 61 Q HN 0.618 nan 8.270 nan 0.000 0.434 62 N N 0.611 119.172 118.700 -0.233 0.000 2.188 62 N HA -0.126 4.613 4.740 -0.001 0.000 0.184 62 N C 1.270 176.609 175.510 -0.286 0.000 1.018 62 N CA 1.016 53.931 53.050 -0.225 0.000 0.858 62 N CB 0.001 38.368 38.487 -0.199 0.000 0.989 62 N HN 0.230 nan 8.380 nan 0.000 0.426 63 E N 0.782 120.701 120.200 -0.470 0.000 2.478 63 E HA 0.053 4.402 4.350 -0.001 0.000 0.194 63 E C -0.252 176.199 176.600 -0.248 0.000 1.045 63 E CA 0.002 56.125 56.400 -0.461 0.000 0.868 63 E CB 0.151 29.296 29.700 -0.925 0.000 0.885 63 E HN 0.313 nan 8.360 nan 0.000 0.505 64 K N 1.259 121.536 120.400 -0.205 0.000 3.419 64 K HA -0.161 4.158 4.320 -0.001 0.000 0.272 64 K C -0.261 176.309 176.600 -0.051 0.000 0.973 64 K CA 0.180 56.402 56.287 -0.108 0.000 0.749 64 K CB -1.211 31.247 32.500 -0.070 0.000 1.403 64 K HN 0.097 nan 8.250 nan 0.000 0.456 65 I N 1.779 122.320 120.570 -0.048 0.000 2.618 65 I HA -0.068 4.102 4.170 -0.001 0.000 0.284 65 I C 1.751 177.912 176.117 0.073 0.000 1.146 65 I CA 0.330 61.664 61.300 0.058 0.000 1.425 65 I CB 0.548 38.621 38.000 0.122 0.000 1.383 65 I HN 0.305 nan 8.210 nan 0.000 0.562 66 D N 4.841 125.295 120.400 0.091 0.000 2.249 66 D HA 0.017 4.657 4.640 -0.001 0.000 0.205 66 D C 0.362 176.716 176.300 0.091 0.000 0.962 66 D CA 1.003 55.047 54.000 0.074 0.000 0.860 66 D CB 0.695 41.534 40.800 0.064 0.000 0.955 66 D HN 0.248 nan 8.370 nan 0.000 0.505 67 L N 0.138 121.434 121.223 0.121 0.000 2.526 67 L HA 0.287 4.627 4.340 -0.001 0.000 0.263 67 L C -1.448 175.522 176.870 0.166 0.000 0.943 67 L CA -0.200 54.718 54.840 0.129 0.000 0.859 67 L CB 2.474 44.588 42.059 0.091 0.000 1.313 67 L HN -0.352 nan 8.230 nan 0.000 0.406 68 T N 6.007 120.669 114.554 0.179 0.000 2.797 68 T HA 0.695 5.044 4.350 -0.001 0.000 0.279 68 T C -0.417 174.361 174.700 0.131 0.000 0.991 68 T CA -0.118 62.081 62.100 0.166 0.000 0.979 68 T CB 0.975 69.940 68.868 0.162 0.000 0.943 68 T HN 0.448 nan 8.240 nan 0.000 0.444 69 I N 3.114 123.765 120.570 0.136 0.000 2.389 69 I HA 0.380 4.549 4.170 -0.001 0.000 0.288 69 I C -0.387 175.816 176.117 0.142 0.000 0.999 69 I CA -1.106 60.306 61.300 0.187 0.000 1.129 69 I CB 1.840 39.973 38.000 0.222 0.000 1.288 69 I HN 0.267 nan 8.210 nan 0.000 0.444 70 V N 5.741 125.726 119.914 0.119 0.000 2.432 70 V HA 0.320 4.439 4.120 -0.001 0.000 0.275 70 V C 1.062 177.241 176.094 0.141 0.000 1.043 70 V CA -0.081 62.256 62.300 0.061 0.000 0.925 70 V CB 1.062 32.862 31.823 -0.039 0.000 0.985 70 V HN 1.007 nan 8.190 nan 0.000 0.466 71 G N 6.073 114.932 108.800 0.099 0.000 2.557 71 G HA2 0.129 4.089 3.960 -0.001 0.000 0.213 71 G HA3 0.129 4.089 3.960 -0.001 0.000 0.213 71 G C -1.695 173.252 174.900 0.078 0.000 1.221 71 G CA 0.325 45.489 45.100 0.106 0.000 0.832 71 G HN 0.633 nan 8.290 nan 0.000 0.556 72 P HA 0.191 nan 4.420 nan 0.000 0.280 72 P C 0.215 177.519 177.300 0.007 0.000 1.272 72 P CA -0.291 62.819 63.100 0.016 0.000 0.819 72 P CB 2.296 33.998 31.700 0.002 0.000 1.122 73 E N 1.052 121.253 120.200 0.002 0.000 2.072 73 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 73 E C 1.834 178.423 176.600 -0.019 0.000 0.985 73 E CA 1.290 57.687 56.400 -0.005 0.000 0.801 73 E CB -0.464 29.235 29.700 -0.001 0.000 0.750 73 E HN 0.447 nan 8.360 nan 0.000 0.452 74 A N 2.158 124.968 122.820 -0.016 0.000 1.859 74 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 74 A C -0.035 177.530 177.584 -0.032 0.000 1.209 74 A CA 2.295 54.319 52.037 -0.021 0.000 0.639 74 A CB -1.909 17.082 19.000 -0.015 0.000 0.835 74 A HN 0.424 nan 8.150 nan 0.000 0.450 75 P HA -0.115 nan 4.420 nan 0.000 0.220 75 P C 1.578 178.834 177.300 -0.074 0.000 1.148 75 P CA 0.999 64.065 63.100 -0.056 0.000 0.803 75 P CB -0.182 31.476 31.700 -0.071 0.000 0.782 76 L N 0.091 121.270 121.223 -0.073 0.000 2.005 76 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 76 L C 2.727 179.545 176.870 -0.087 0.000 1.072 76 L CA 1.578 56.363 54.840 -0.092 0.000 0.744 76 L CB -1.260 40.749 42.059 -0.083 0.000 0.895 76 L HN -0.113 nan 8.230 nan 0.000 0.433 77 V N -2.769 117.104 119.914 -0.068 0.000 2.913 77 V HA -0.187 3.933 4.120 -0.001 0.000 0.260 77 V C 2.110 178.168 176.094 -0.060 0.000 1.098 77 V CA 1.486 63.745 62.300 -0.069 0.000 1.121 77 V CB -0.768 31.023 31.823 -0.054 0.000 0.714 77 V HN 0.391 nan 8.190 nan 0.000 0.487 78 K N 0.813 121.182 120.400 -0.051 0.000 2.444 78 K HA 0.300 4.619 4.320 -0.001 0.000 0.193 78 K C 1.324 177.901 176.600 -0.039 0.000 1.024 78 K CA 0.644 56.908 56.287 -0.039 0.000 1.077 78 K CB -0.087 32.397 32.500 -0.028 0.000 0.833 78 K HN 0.778 nan 8.250 nan 0.000 0.517 79 G N 0.769 109.535 108.800 -0.057 0.000 2.171 79 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.238 79 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.238 79 G C 0.479 175.355 174.900 -0.040 0.000 1.039 79 G CA 0.284 45.352 45.100 -0.053 0.000 0.759 79 G HN 0.223 nan 8.290 nan 0.000 0.501 80 V N -0.351 119.520 119.914 -0.072 0.000 2.392 80 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 80 V C 2.715 178.742 176.094 -0.111 0.000 1.059 80 V CA 2.912 65.151 62.300 -0.102 0.000 1.051 80 V CB -0.119 31.564 31.823 -0.233 0.000 0.658 80 V HN 0.488 nan 8.190 nan 0.000 0.455 81 V N 0.559 120.396 119.914 -0.128 0.000 2.307 81 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 81 V C 2.188 178.278 176.094 -0.007 0.000 1.045 81 V CA 2.501 64.743 62.300 -0.097 0.000 1.024 81 V CB -0.876 30.856 31.823 -0.153 0.000 0.651 81 V HN 0.629 nan 8.190 nan 0.000 0.449 82 D N -0.085 120.303 120.400 -0.020 0.000 2.104 82 D HA -0.166 4.474 4.640 -0.001 0.000 0.194 82 D C 2.233 178.563 176.300 0.051 0.000 0.994 82 D CA 1.940 55.940 54.000 0.001 0.000 0.830 82 D CB -0.456 40.334 40.800 -0.016 0.000 0.959 82 D HN 0.368 nan 8.370 nan 0.000 0.452 83 T N 0.003 114.612 114.554 0.092 0.000 2.708 83 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 83 T C 1.590 176.416 174.700 0.210 0.000 1.037 83 T CA 0.738 62.923 62.100 0.142 0.000 1.146 83 T CB -0.409 68.565 68.868 0.177 0.000 0.865 83 T HN 0.033 nan 8.240 nan 0.000 0.435 84 F N 1.645 121.587 119.950 -0.013 0.000 2.146 84 F HA 0.058 4.585 4.527 -0.001 0.000 0.298 84 F C 2.521 178.316 175.800 -0.009 0.000 1.096 84 F CA 0.727 58.724 58.000 -0.005 0.000 1.275 84 F CB -0.458 38.544 39.000 0.003 0.000 1.008 84 F HN 0.004 nan 8.300 nan 0.000 0.480 85 R N -0.338 120.264 120.500 0.171 0.000 2.148 85 R HA -0.067 4.273 4.340 -0.001 0.000 0.227 85 R C 2.299 178.621 176.300 0.038 0.000 1.103 85 R CA 0.997 57.145 56.100 0.079 0.000 0.983 85 R CB -0.624 29.703 30.300 0.045 0.000 0.874 85 R HN 0.244 nan 8.270 nan 0.000 0.451 86 A N 1.018 123.858 122.820 0.034 0.000 1.969 86 A HA 0.009 4.328 4.320 -0.001 0.000 0.218 86 A C 2.057 179.634 177.584 -0.011 0.000 1.169 86 A CA 1.424 53.467 52.037 0.009 0.000 0.635 86 A CB -0.176 18.830 19.000 0.010 0.000 0.810 86 A HN 0.337 nan 8.150 nan 0.000 0.445 87 A N -1.430 121.372 122.820 -0.029 0.000 2.307 87 A HA 0.440 4.760 4.320 -0.001 0.000 0.218 87 A C 1.564 179.110 177.584 -0.064 0.000 1.228 87 A CA 0.929 52.923 52.037 -0.071 0.000 0.857 87 A CB -1.052 17.860 19.000 -0.147 0.000 0.897 87 A HN 1.811 nan 8.150 nan 0.000 0.495 88 G N -0.626 108.158 108.800 -0.027 0.000 2.221 88 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.265 88 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.265 88 G C -0.089 174.804 174.900 -0.010 0.000 1.041 88 G CA 0.506 45.597 45.100 -0.015 0.000 0.807 88 G HN 0.480 nan 8.290 nan 0.000 0.502 89 L N -0.147 121.079 121.223 0.004 0.000 2.325 89 L HA 0.474 4.814 4.340 -0.001 0.000 0.278 89 L C 0.707 177.651 176.870 0.123 0.000 1.023 89 L CA -1.083 53.781 54.840 0.040 0.000 0.811 89 L CB 1.342 43.389 42.059 -0.020 0.000 1.249 89 L HN -0.063 nan 8.230 nan 0.000 0.431 90 K N 4.145 124.616 120.400 0.118 0.000 2.339 90 K HA 0.453 4.772 4.320 -0.001 0.000 0.286 90 K C -0.790 175.912 176.600 0.170 0.000 1.050 90 K CA -0.029 56.331 56.287 0.122 0.000 0.956 90 K CB 1.601 34.157 32.500 0.093 0.000 0.990 90 K HN 0.487 nan 8.250 nan 0.000 0.475 91 I N 2.837 123.493 120.570 0.142 0.000 2.692 91 I HA 0.288 4.457 4.170 -0.001 0.000 0.293 91 I C -1.670 174.503 176.117 0.093 0.000 1.200 91 I CA -1.038 60.331 61.300 0.114 0.000 1.036 91 I CB 1.397 39.431 38.000 0.058 0.000 1.258 91 I HN 0.460 nan 8.210 nan 0.000 0.421 92 F N 7.317 127.225 119.950 -0.070 0.000 2.361 92 F HA 0.847 5.373 4.527 -0.001 0.000 0.364 92 F C 0.110 175.808 175.800 -0.170 0.000 1.117 92 F CA 0.097 58.017 58.000 -0.134 0.000 1.071 92 F CB 1.025 39.934 39.000 -0.152 0.000 1.188 92 F HN 0.558 nan 8.300 nan 0.000 0.464 93 G N 5.982 114.346 108.800 -0.728 0.000 2.328 93 G HA2 0.265 4.225 3.960 -0.001 0.000 0.299 93 G HA3 0.265 4.225 3.960 -0.001 0.000 0.299 93 G C -3.523 171.038 174.900 -0.565 0.000 1.435 93 G CA -1.051 43.684 45.100 -0.609 0.000 0.865 93 G HN 0.358 nan 8.290 nan 0.000 0.601 94 P HA 0.350 nan 4.420 nan 0.000 0.281 94 P C 0.649 177.741 177.300 -0.347 0.000 1.249 94 P CA 0.003 62.755 63.100 -0.579 0.000 0.810 94 P CB 1.197 32.467 31.700 -0.718 0.000 1.008 95 T N -1.431 112.944 114.554 -0.298 0.000 2.766 95 T HA 0.253 4.602 4.350 -0.001 0.000 0.295 95 T C 1.640 176.234 174.700 -0.177 0.000 1.024 95 T CA 0.065 62.050 62.100 -0.192 0.000 1.018 95 T CB 0.049 68.826 68.868 -0.151 0.000 1.002 95 T HN 0.419 nan 8.240 nan 0.000 0.532 96 A N 1.123 123.862 122.820 -0.135 0.000 1.940 96 A HA 0.103 4.423 4.320 -0.001 0.000 0.219 96 A C 2.486 179.974 177.584 -0.160 0.000 1.176 96 A CA 1.860 53.820 52.037 -0.129 0.000 0.631 96 A CB -1.690 17.251 19.000 -0.097 0.000 0.814 96 A HN 1.095 nan 8.150 nan 0.000 0.446 97 G N -0.746 107.961 108.800 -0.154 0.000 2.402 97 G HA2 0.047 4.007 3.960 -0.001 0.000 0.216 97 G HA3 0.047 4.007 3.960 -0.001 0.000 0.216 97 G C 1.681 176.445 174.900 -0.228 0.000 1.162 97 G CA 1.274 46.263 45.100 -0.185 0.000 0.777 97 G HN 0.798 nan 8.290 nan 0.000 0.539 98 A N 0.965 123.679 122.820 -0.177 0.000 1.968 98 A HA 0.452 4.771 4.320 -0.001 0.000 0.217 98 A C 2.642 180.173 177.584 -0.088 0.000 1.169 98 A CA 1.669 53.635 52.037 -0.119 0.000 0.638 98 A CB -0.499 18.379 19.000 -0.205 0.000 0.812 98 A HN 0.726 nan 8.150 nan 0.000 0.446 99 A N -0.523 122.207 122.820 -0.149 0.000 2.216 99 A HA -0.117 4.203 4.320 -0.001 0.000 0.214 99 A C 1.880 179.388 177.584 -0.126 0.000 1.160 99 A CA 1.201 53.179 52.037 -0.099 0.000 0.725 99 A CB -0.508 18.423 19.000 -0.116 0.000 0.784 99 A HN 0.677 nan 8.150 nan 0.000 0.472 100 Q N -0.517 119.119 119.800 -0.274 0.000 2.226 100 Q HA -0.074 4.266 4.340 -0.001 0.000 0.204 100 Q C 1.739 177.632 176.000 -0.179 0.000 0.975 100 Q CA 0.923 56.476 55.803 -0.416 0.000 0.866 100 Q CB -0.326 27.741 28.738 -1.120 0.000 0.915 100 Q HN 0.696 nan 8.270 nan 0.000 0.440 101 L N 0.447 121.620 121.223 -0.083 0.000 2.129 101 L HA -0.266 4.074 4.340 -0.001 0.000 0.212 101 L C 2.370 179.320 176.870 0.133 0.000 1.087 101 L CA 1.445 56.314 54.840 0.048 0.000 0.757 101 L CB -0.196 41.739 42.059 -0.206 0.000 0.896 101 L HN 0.372 nan 8.230 nan 0.000 0.434 102 E N -0.972 119.278 120.200 0.083 0.000 2.175 102 E HA -0.053 4.297 4.350 -0.001 0.000 0.195 102 E C 2.093 178.734 176.600 0.068 0.000 0.934 102 E CA 0.616 57.078 56.400 0.104 0.000 0.870 102 E CB 0.026 29.778 29.700 0.086 0.000 0.838 102 E HN 0.339 nan 8.360 nan 0.000 0.474 103 G N 0.504 109.316 108.800 0.020 0.000 2.448 103 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.219 103 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.219 103 G C 0.767 175.678 174.900 0.019 0.000 1.127 103 G CA 0.794 45.895 45.100 0.001 0.000 0.766 103 G HN 0.220 nan 8.290 nan 0.000 0.552 104 S N -0.390 115.338 115.700 0.047 0.000 2.640 104 S HA 0.449 4.919 4.470 -0.001 0.000 0.320 104 S C 1.165 175.875 174.600 0.183 0.000 1.097 104 S CA -0.798 57.461 58.200 0.100 0.000 1.092 104 S CB 0.922 64.176 63.200 0.091 0.000 0.988 104 S HN 0.064 nan 8.310 nan 0.000 0.470 105 K N 3.327 123.816 120.400 0.148 0.000 2.057 105 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 105 K C 2.188 178.902 176.600 0.191 0.000 1.049 105 K CA 1.582 57.972 56.287 0.172 0.000 0.931 105 K CB -0.900 31.687 32.500 0.146 0.000 0.714 105 K HN 0.677 nan 8.250 nan 0.000 0.440 106 A N 1.091 124.006 122.820 0.157 0.000 1.877 106 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 106 A C 2.163 179.844 177.584 0.161 0.000 1.186 106 A CA 1.363 53.475 52.037 0.126 0.000 0.620 106 A CB -0.810 18.249 19.000 0.097 0.000 0.822 106 A HN 0.298 nan 8.150 nan 0.000 0.443 107 F N 1.478 121.474 119.950 0.076 0.000 2.069 107 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 107 F C 2.494 178.381 175.800 0.146 0.000 1.113 107 F CA 2.542 60.597 58.000 0.092 0.000 1.214 107 F CB -0.733 38.299 39.000 0.053 0.000 0.978 107 F HN 0.219 nan 8.300 nan 0.000 0.474 108 T N 0.463 115.185 114.554 0.280 0.000 2.720 108 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 108 T C 1.975 176.788 174.700 0.188 0.000 1.037 108 T CA 1.772 64.011 62.100 0.232 0.000 1.144 108 T CB -0.382 68.674 68.868 0.312 0.000 0.864 108 T HN 0.260 nan 8.240 nan 0.000 0.444 109 K N 0.686 121.184 120.400 0.163 0.000 2.026 109 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 109 K C 1.805 178.435 176.600 0.050 0.000 1.048 109 K CA 1.764 58.123 56.287 0.121 0.000 0.929 109 K CB -0.089 32.453 32.500 0.070 0.000 0.713 109 K HN 0.176 nan 8.250 nan 0.000 0.439 110 D N -0.073 120.329 120.400 0.005 0.000 2.117 110 D HA -0.150 4.490 4.640 -0.001 0.000 0.198 110 D C 1.596 177.862 176.300 -0.056 0.000 0.982 110 D CA 0.820 54.794 54.000 -0.044 0.000 0.828 110 D CB -0.291 40.472 40.800 -0.062 0.000 0.967 110 D HN 0.212 nan 8.370 nan 0.000 0.464 111 F N 1.305 121.106 119.950 -0.247 0.000 2.102 111 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 111 F C 2.042 177.857 175.800 0.026 0.000 1.105 111 F CA 1.195 59.081 58.000 -0.190 0.000 1.239 111 F CB -0.210 38.551 39.000 -0.399 0.000 0.991 111 F HN -0.120 nan 8.300 nan 0.000 0.474 112 L N -0.064 121.271 121.223 0.187 0.000 2.083 112 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 112 L C 2.796 179.659 176.870 -0.012 0.000 1.083 112 L CA 1.126 56.042 54.840 0.126 0.000 0.752 112 L CB -1.193 40.984 42.059 0.196 0.000 0.899 112 L HN 0.278 nan 8.230 nan 0.000 0.433 113 A N -0.055 122.744 122.820 -0.035 0.000 1.898 113 A HA -0.220 4.100 4.320 -0.001 0.000 0.216 113 A C 2.438 179.936 177.584 -0.143 0.000 1.181 113 A CA 1.490 53.486 52.037 -0.068 0.000 0.620 113 A CB -0.533 18.433 19.000 -0.056 0.000 0.819 113 A HN 0.310 nan 8.150 nan 0.000 0.442 114 R N -1.219 119.141 120.500 -0.234 0.000 2.120 114 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 114 R C 1.169 177.135 176.300 -0.557 0.000 1.123 114 R CA 1.591 57.454 56.100 -0.395 0.000 0.975 114 R CB -0.222 29.779 30.300 -0.499 0.000 0.866 114 R HN 0.678 nan 8.270 nan 0.000 0.446 115 H N 0.166 119.048 119.070 -0.313 0.000 2.549 115 H HA 0.138 4.693 4.556 -0.001 0.000 0.279 115 H C -0.009 175.225 175.328 -0.157 0.000 1.018 115 H CA 0.009 55.894 56.048 -0.273 0.000 1.175 115 H CB 0.791 30.294 29.762 -0.432 0.000 1.485 115 H HN 0.007 nan 8.280 nan 0.000 0.543 116 K N 0.562 120.927 120.400 -0.059 0.000 3.077 116 K HA -0.181 4.139 4.320 -0.001 0.000 0.264 116 K C -0.082 176.516 176.600 -0.004 0.000 1.008 116 K CA 0.375 56.644 56.287 -0.031 0.000 0.740 116 K CB -2.449 30.030 32.500 -0.034 0.000 1.273 116 K HN 0.448 nan 8.250 nan 0.000 0.477 117 I N 2.846 123.425 120.570 0.014 0.000 2.371 117 I HA 0.082 4.252 4.170 -0.001 0.000 0.290 117 I C -1.309 174.816 176.117 0.012 0.000 1.028 117 I CA -2.066 59.252 61.300 0.030 0.000 1.345 117 I CB 0.693 38.746 38.000 0.088 0.000 1.407 117 I HN -0.081 nan 8.210 nan 0.000 0.501 118 P HA -0.030 nan 4.420 nan 0.000 0.258 118 P C -0.353 176.924 177.300 -0.039 0.000 1.187 118 P CA 0.446 63.529 63.100 -0.029 0.000 0.767 118 P CB 0.734 32.406 31.700 -0.047 0.000 0.770 119 T N 1.501 116.043 114.554 -0.019 0.000 2.754 119 T HA 0.640 4.989 4.350 -0.001 0.000 0.296 119 T C -1.468 173.239 174.700 0.012 0.000 1.205 119 T CA -0.559 61.531 62.100 -0.016 0.000 1.009 119 T CB 1.282 70.161 68.868 0.019 0.000 1.368 119 T HN 0.303 nan 8.240 nan 0.000 0.509 120 A N 1.519 124.360 122.820 0.036 0.000 2.290 120 A HA 0.655 4.974 4.320 -0.001 0.000 0.310 120 A C -0.074 177.615 177.584 0.174 0.000 1.202 120 A CA -0.530 51.551 52.037 0.073 0.000 0.837 120 A CB 0.231 19.257 19.000 0.042 0.000 1.139 120 A HN 0.814 nan 8.150 nan 0.000 0.509 121 E N 0.701 120.998 120.200 0.162 0.000 2.354 121 E HA 0.434 4.783 4.350 -0.001 0.000 0.269 121 E C -0.997 175.800 176.600 0.328 0.000 1.036 121 E CA 0.329 56.848 56.400 0.199 0.000 0.876 121 E CB 0.768 30.557 29.700 0.147 0.000 1.009 121 E HN 0.664 nan 8.360 nan 0.000 0.416 122 Y N -0.266 120.122 120.300 0.146 0.000 2.713 122 Y HA 0.496 5.045 4.550 -0.001 0.000 0.335 122 Y C -1.625 174.281 175.900 0.010 0.000 1.222 122 Y CA -1.094 57.082 58.100 0.125 0.000 1.061 122 Y CB 1.547 40.045 38.460 0.064 0.000 1.314 122 Y HN 0.473 nan 8.280 nan 0.000 0.453 123 Q N 1.973 121.700 119.800 -0.122 0.000 2.443 123 Q HA 0.376 4.716 4.340 -0.001 0.000 0.258 123 Q C -2.021 173.704 176.000 -0.458 0.000 0.967 123 Q CA -0.740 54.749 55.803 -0.524 0.000 0.951 123 Q CB 1.523 29.702 28.738 -0.932 0.000 1.459 123 Q HN 0.795 nan 8.270 nan 0.000 0.415 124 N N 1.983 120.391 118.700 -0.486 0.000 2.513 124 N HA 0.530 5.270 4.740 -0.001 0.000 0.274 124 N C -1.262 173.786 175.510 -0.772 0.000 1.189 124 N CA 0.434 53.273 53.050 -0.351 0.000 0.975 124 N CB 0.487 38.885 38.487 -0.147 0.000 1.157 124 N HN 0.337 nan 8.380 nan 0.000 0.465 125 F N -1.277 118.659 119.950 -0.024 0.000 2.574 125 F HA 0.238 4.765 4.527 -0.001 0.000 0.313 125 F C 1.161 176.973 175.800 0.020 0.000 1.130 125 F CA -0.755 57.236 58.000 -0.015 0.000 0.936 125 F CB 1.843 40.831 39.000 -0.021 0.000 1.219 125 F HN 0.437 nan 8.300 nan 0.000 0.445 126 T N -2.832 111.853 114.554 0.217 0.000 2.990 126 T HA 0.316 4.666 4.350 -0.001 0.000 0.249 126 T C 0.228 175.080 174.700 0.253 0.000 1.039 126 T CA 0.190 62.411 62.100 0.202 0.000 1.036 126 T CB 0.462 69.417 68.868 0.145 0.000 0.994 126 T HN 0.347 nan 8.240 nan 0.000 0.489 127 E N 0.769 121.109 120.200 0.232 0.000 2.408 127 E HA 0.530 4.879 4.350 -0.001 0.000 0.275 127 E C -1.357 175.332 176.600 0.148 0.000 0.935 127 E CA -0.773 55.744 56.400 0.195 0.000 0.775 127 E CB 3.081 32.872 29.700 0.151 0.000 1.277 127 E HN 0.097 nan 8.360 nan 0.000 0.455 128 V N 1.488 121.467 119.914 0.108 0.000 2.686 128 V HA 0.381 4.500 4.120 -0.001 0.000 0.295 128 V C 0.457 176.578 176.094 0.045 0.000 1.057 128 V CA 0.691 63.024 62.300 0.055 0.000 1.012 128 V CB 1.270 33.148 31.823 0.092 0.000 1.006 128 V HN 0.886 nan 8.190 nan 0.000 0.477 129 E N 2.691 122.897 120.200 0.010 0.000 3.484 129 E HA -0.105 4.245 4.350 -0.001 0.000 0.131 129 E C -1.946 174.661 176.600 0.012 0.000 0.716 129 E CA 1.141 57.552 56.400 0.019 0.000 3.008 129 E CB -1.538 28.184 29.700 0.038 0.000 1.247 129 E HN 0.622 nan 8.360 nan 0.000 0.746 130 P HA 0.122 nan 4.420 nan 0.000 0.236 130 P C 0.945 178.219 177.300 -0.044 0.000 1.177 130 P CA 1.796 64.957 63.100 0.102 0.000 0.773 130 P CB 0.210 32.040 31.700 0.217 0.000 0.878 131 A N 0.746 123.351 122.820 -0.359 0.000 1.874 131 A HA -0.030 4.289 4.320 -0.001 0.000 0.214 131 A C 2.358 179.721 177.584 -0.369 0.000 1.189 131 A CA 0.924 52.401 52.037 -0.933 0.000 0.615 131 A CB -1.357 17.199 19.000 -0.740 0.000 0.830 131 A HN 0.082 nan 8.150 nan 0.000 0.443 132 L N -0.561 120.561 121.223 -0.168 0.000 2.083 132 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 132 L C 3.028 179.880 176.870 -0.031 0.000 1.083 132 L CA 1.131 55.928 54.840 -0.073 0.000 0.752 132 L CB -0.848 41.197 42.059 -0.024 0.000 0.899 132 L HN 0.417 nan 8.230 nan 0.000 0.433 133 A N -0.402 122.417 122.820 -0.001 0.000 1.940 133 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 133 A C 2.222 179.850 177.584 0.073 0.000 1.176 133 A CA 1.610 53.671 52.037 0.040 0.000 0.631 133 A CB -0.823 18.218 19.000 0.068 0.000 0.814 133 A HN 0.482 nan 8.150 nan 0.000 0.446 134 Y N -0.470 119.805 120.300 -0.042 0.000 2.263 134 Y HA -0.040 4.510 4.550 -0.000 0.000 0.292 134 Y C 1.901 177.791 175.900 -0.017 0.000 1.130 134 Y CA 1.330 59.438 58.100 0.013 0.000 1.179 134 Y CB -0.210 38.305 38.460 0.093 0.000 0.998 134 Y HN 0.199 nan 8.280 nan 0.000 0.532 135 L N 0.636 121.849 121.223 -0.017 0.000 2.017 135 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 135 L C 2.373 179.185 176.870 -0.097 0.000 1.073 135 L CA 1.858 56.654 54.840 -0.072 0.000 0.745 135 L CB -0.629 41.398 42.059 -0.053 0.000 0.894 135 L HN 0.154 nan 8.230 nan 0.000 0.432 136 R N -1.028 119.431 120.500 -0.068 0.000 2.235 136 R HA -0.123 4.217 4.340 -0.001 0.000 0.213 136 R C 1.953 178.210 176.300 -0.071 0.000 1.059 136 R CA 0.936 57.002 56.100 -0.057 0.000 0.997 136 R CB -0.231 30.049 30.300 -0.032 0.000 0.884 136 R HN 0.487 nan 8.270 nan 0.000 0.462 137 E N 0.985 121.124 120.200 -0.102 0.000 2.122 137 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 137 E C 1.364 177.872 176.600 -0.153 0.000 0.977 137 E CA 0.648 56.982 56.400 -0.109 0.000 0.820 137 E CB 0.400 30.039 29.700 -0.102 0.000 0.770 137 E HN 0.030 nan 8.360 nan 0.000 0.462 138 K N 0.026 120.284 120.400 -0.237 0.000 2.128 138 K HA 0.147 4.466 4.320 -0.001 0.000 0.202 138 K C 0.936 177.464 176.600 -0.120 0.000 1.050 138 K CA 0.918 57.071 56.287 -0.222 0.000 0.966 138 K CB -0.127 32.154 32.500 -0.364 0.000 0.759 138 K HN 0.244 nan 8.250 nan 0.000 0.454 139 G N 0.970 109.707 108.800 -0.104 0.000 2.787 139 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.685 139 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.685 139 G C -0.374 174.499 174.900 -0.046 0.000 1.437 139 G CA -0.325 44.737 45.100 -0.063 0.000 0.872 139 G HN 0.468 nan 8.290 nan 0.000 0.566 140 A N 1.605 124.401 122.820 -0.041 0.000 2.286 140 A HA 0.892 5.212 4.320 -0.001 0.000 0.286 140 A C -1.315 176.251 177.584 -0.031 0.000 1.097 140 A CA -0.708 51.304 52.037 -0.042 0.000 0.821 140 A CB 0.140 19.104 19.000 -0.061 0.000 1.076 140 A HN 0.837 nan 8.150 nan 0.000 0.490 141 P HA 0.518 nan 4.420 nan 0.000 0.269 141 P C -0.868 176.428 177.300 -0.006 0.000 1.215 141 P CA 0.176 63.213 63.100 -0.104 0.000 0.780 141 P CB 0.511 32.064 31.700 -0.246 0.000 0.898 142 I N 0.763 121.316 120.570 -0.028 0.000 2.984 142 I HA 0.353 4.523 4.170 -0.001 0.000 0.303 142 I C -1.719 174.434 176.117 0.059 0.000 1.381 142 I CA -0.782 60.557 61.300 0.065 0.000 0.988 142 I CB 2.201 40.228 38.000 0.044 0.000 1.307 142 I HN 0.021 nan 8.210 nan 0.000 0.460 143 V N 6.026 126.015 119.914 0.126 0.000 2.555 143 V HA 0.592 4.712 4.120 -0.001 0.000 0.302 143 V C -0.789 175.368 176.094 0.104 0.000 1.038 143 V CA -0.473 61.894 62.300 0.112 0.000 0.887 143 V CB 1.603 33.522 31.823 0.160 0.000 0.991 143 V HN 0.442 nan 8.190 nan 0.000 0.434 144 I N 4.191 124.802 120.570 0.069 0.000 2.411 144 I HA 0.475 4.645 4.170 -0.001 0.000 0.284 144 I C -0.180 175.969 176.117 0.054 0.000 1.012 144 I CA -0.137 61.202 61.300 0.065 0.000 1.119 144 I CB 1.542 39.559 38.000 0.027 0.000 1.261 144 I HN 0.551 nan 8.210 nan 0.000 0.448 145 K N 4.992 125.431 120.400 0.065 0.000 2.207 145 K HA 0.903 5.222 4.320 -0.001 0.000 0.255 145 K C -0.387 176.236 176.600 0.038 0.000 0.941 145 K CA -0.561 55.754 56.287 0.046 0.000 0.825 145 K CB 1.738 34.264 32.500 0.043 0.000 1.119 145 K HN 0.671 nan 8.250 nan 0.000 0.430 154 G N 1.629 110.436 108.800 0.011 0.000 2.338 154 G HA2 0.495 4.455 3.960 -0.001 0.000 0.298 154 G HA3 0.495 4.455 3.960 -0.001 0.000 0.298 154 G C -0.767 174.144 174.900 0.018 0.000 1.140 154 G CA -0.264 44.844 45.100 0.013 0.000 0.860 154 G HN -0.010 nan 8.290 nan 0.000 0.470 155 V N 4.539 124.466 119.914 0.023 0.000 2.349 155 V HA 0.322 4.442 4.120 -0.001 0.000 0.284 155 V C -0.013 176.097 176.094 0.027 0.000 1.014 155 V CA -0.556 61.762 62.300 0.031 0.000 0.826 155 V CB 1.115 32.962 31.823 0.041 0.000 1.009 155 V HN 0.634 nan 8.190 nan 0.000 0.431 156 I N 5.011 125.592 120.570 0.020 0.000 2.312 156 I HA 0.338 4.507 4.170 -0.001 0.000 0.290 156 I C -0.249 175.867 176.117 -0.002 0.000 1.008 156 I CA -0.642 60.659 61.300 0.003 0.000 1.226 156 I CB 1.893 39.886 38.000 -0.013 0.000 1.371 156 I HN 0.282 nan 8.210 nan 0.000 0.468 157 V N 6.762 126.665 119.914 -0.018 0.000 2.368 157 V HA 0.391 4.510 4.120 -0.001 0.000 0.266 157 V C 0.601 176.615 176.094 -0.133 0.000 1.045 157 V CA -0.372 61.886 62.300 -0.071 0.000 0.899 157 V CB 1.018 32.795 31.823 -0.078 0.000 1.006 157 V HN 0.803 nan 8.190 nan 0.000 0.470 158 A N 6.515 129.251 122.820 -0.141 0.000 2.276 158 A HA 0.675 4.994 4.320 -0.001 0.000 0.316 158 A C 0.685 178.156 177.584 -0.188 0.000 1.229 158 A CA -0.563 51.393 52.037 -0.135 0.000 0.851 158 A CB 0.926 19.872 19.000 -0.090 0.000 1.165 158 A HN 0.693 nan 8.150 nan 0.000 0.513 159 M N 1.365 120.863 119.600 -0.171 0.000 2.510 159 M HA 0.076 4.555 4.480 -0.001 0.000 0.256 159 M C 0.891 177.127 176.300 -0.107 0.000 1.132 159 M CA 0.957 56.155 55.300 -0.169 0.000 1.105 159 M CB -1.025 31.487 32.600 -0.147 0.000 1.375 159 M HN 0.853 nan 8.290 nan 0.000 0.477 160 T N -3.054 111.448 114.554 -0.087 0.000 2.906 160 T HA 0.590 4.940 4.350 -0.001 0.000 0.295 160 T C 0.963 175.626 174.700 -0.061 0.000 1.075 160 T CA -0.785 61.276 62.100 -0.064 0.000 1.005 160 T CB 2.029 70.866 68.868 -0.051 0.000 1.136 160 T HN 0.056 nan 8.240 nan 0.000 0.498 161 L N 0.573 121.766 121.223 -0.051 0.000 2.083 161 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 161 L C 2.917 179.754 176.870 -0.054 0.000 1.083 161 L CA 1.511 56.321 54.840 -0.050 0.000 0.752 161 L CB -0.418 41.616 42.059 -0.041 0.000 0.899 161 L HN 0.810 nan 8.230 nan 0.000 0.433 162 E N -0.404 119.768 120.200 -0.046 0.000 2.106 162 E HA -0.269 4.080 4.350 -0.001 0.000 0.192 162 E C 1.997 178.560 176.600 -0.062 0.000 0.984 162 E CA 1.113 57.487 56.400 -0.044 0.000 0.806 162 E CB 0.006 29.688 29.700 -0.029 0.000 0.750 162 E HN 0.500 nan 8.360 nan 0.000 0.458 163 E N 0.600 120.762 120.200 -0.063 0.000 2.106 163 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 163 E C 1.992 178.539 176.600 -0.088 0.000 0.984 163 E CA 0.816 57.175 56.400 -0.070 0.000 0.806 163 E CB 0.038 29.698 29.700 -0.066 0.000 0.750 163 E HN 0.181 nan 8.360 nan 0.000 0.458 164 A N 1.366 124.134 122.820 -0.087 0.000 1.841 164 A HA -0.187 4.133 4.320 -0.001 0.000 0.214 164 A C 1.941 179.444 177.584 -0.136 0.000 1.195 164 A CA 1.490 53.473 52.037 -0.090 0.000 0.611 164 A CB -0.558 18.401 19.000 -0.068 0.000 0.835 164 A HN 0.272 nan 8.150 nan 0.000 0.443 165 E N -0.140 119.973 120.200 -0.144 0.000 2.160 165 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 165 E C 2.237 178.555 176.600 -0.470 0.000 0.991 165 E CA 0.886 57.160 56.400 -0.211 0.000 0.810 165 E CB -0.282 29.353 29.700 -0.109 0.000 0.742 165 E HN 0.619 nan 8.360 nan 0.000 0.466 166 A N 1.595 124.211 122.820 -0.340 0.000 1.855 166 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 166 A C 2.416 179.772 177.584 -0.381 0.000 1.191 166 A CA 1.639 53.453 52.037 -0.372 0.000 0.613 166 A CB -0.602 18.318 19.000 -0.132 0.000 0.829 166 A HN 0.290 nan 8.150 nan 0.000 0.442 167 A N -0.822 121.864 122.820 -0.222 0.000 1.898 167 A HA -0.016 4.303 4.320 -0.001 0.000 0.216 167 A C 2.261 179.760 177.584 -0.141 0.000 1.181 167 A CA 1.643 53.599 52.037 -0.136 0.000 0.620 167 A CB -1.166 17.784 19.000 -0.082 0.000 0.819 167 A HN 0.708 nan 8.150 nan 0.000 0.442 168 V N 0.970 120.775 119.914 -0.181 0.000 2.546 168 V HA -0.246 3.873 4.120 -0.001 0.000 0.254 168 V C 1.980 178.038 176.094 -0.061 0.000 1.076 168 V CA 2.655 64.880 62.300 -0.125 0.000 1.087 168 V CB -0.844 30.894 31.823 -0.142 0.000 0.674 168 V HN 0.972 nan 8.190 nan 0.000 0.470 169 H N -3.504 115.553 119.070 -0.021 0.000 2.592 169 H HA 0.346 4.901 4.556 -0.001 0.000 0.279 169 H C 1.147 176.474 175.328 -0.002 0.000 1.089 169 H CA -0.102 55.940 56.048 -0.009 0.000 1.150 169 H CB -0.240 29.520 29.762 -0.003 0.000 1.575 169 H HN 0.305 nan 8.280 nan 0.000 0.547 170 D N 0.481 120.957 120.400 0.126 0.000 2.259 170 D HA 0.025 4.665 4.640 -0.001 0.000 0.216 170 D C 1.807 178.134 176.300 0.046 0.000 0.961 170 D CA 0.899 54.961 54.000 0.103 0.000 0.878 170 D CB 0.188 41.011 40.800 0.039 0.000 1.009 170 D HN 0.366 nan 8.370 nan 0.000 0.490 171 M N -0.146 119.458 119.600 0.007 0.000 2.319 171 M HA -0.024 4.455 4.480 -0.001 0.000 0.265 171 M C 1.012 177.256 176.300 -0.093 0.000 1.068 171 M CA 0.633 55.915 55.300 -0.030 0.000 1.118 171 M CB 0.305 32.887 32.600 -0.031 0.000 1.395 171 M HN -0.075 nan 8.290 nan 0.000 0.435 172 L N 0.103 121.291 121.223 -0.058 0.000 2.628 172 L HA 0.318 4.658 4.340 -0.001 0.000 0.229 172 L C 0.638 177.544 176.870 0.060 0.000 1.137 172 L CA -0.061 54.709 54.840 -0.118 0.000 0.909 172 L CB -0.695 41.373 42.059 0.015 0.000 1.137 172 L HN 0.005 nan 8.230 nan 0.000 0.470 173 A N -0.621 122.249 122.820 0.082 0.000 2.310 173 A HA 0.681 5.000 4.320 -0.001 0.000 0.300 173 A C 0.639 178.324 177.584 0.169 0.000 1.269 173 A CA 0.520 52.634 52.037 0.129 0.000 0.909 173 A CB -0.279 18.776 19.000 0.092 0.000 1.144 173 A HN 0.393 nan 8.150 nan 0.000 0.540 174 G N 1.686 110.626 108.800 0.233 0.000 2.356 174 G HA2 0.086 4.046 3.960 -0.001 0.000 0.300 174 G HA3 0.086 4.046 3.960 -0.001 0.000 0.300 174 G C -1.231 173.750 174.900 0.136 0.000 1.331 174 G CA -1.145 44.074 45.100 0.200 0.000 0.905 174 G HN 0.653 nan 8.290 nan 0.000 0.587 175 N N 0.909 119.644 118.700 0.057 0.000 2.411 175 N HA 0.372 5.111 4.740 -0.001 0.000 0.259 175 N C 1.026 176.424 175.510 -0.186 0.000 1.103 175 N CA 0.519 53.550 53.050 -0.032 0.000 0.954 175 N CB 1.740 40.242 38.487 0.025 0.000 1.085 175 N HN 0.756 nan 8.380 nan 0.000 0.485 176 A N 3.298 125.874 122.820 -0.406 0.000 2.178 176 A HA 0.027 4.347 4.320 -0.001 0.000 0.211 176 A C 0.539 178.034 177.584 -0.149 0.000 1.157 176 A CA -0.136 51.551 52.037 -0.582 0.000 0.780 176 A CB -0.096 18.467 19.000 -0.728 0.000 0.828 176 A HN 0.644 nan 8.150 nan 0.000 0.476 177 F N 1.354 121.216 119.950 -0.146 0.000 2.541 177 F HA 0.395 4.922 4.527 -0.001 0.000 0.378 177 F C 1.429 177.203 175.800 -0.043 0.000 1.068 177 F CA 0.930 58.886 58.000 -0.073 0.000 1.199 177 F CB 0.320 39.288 39.000 -0.052 0.000 1.091 177 F HN 0.338 nan 8.300 nan 0.000 0.555 178 G N 3.929 112.392 108.800 -0.561 0.000 2.198 178 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.260 178 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.260 178 G C -0.580 174.250 174.900 -0.118 0.000 1.025 178 G CA 0.388 45.287 45.100 -0.335 0.000 0.769 178 G HN 0.869 nan 8.290 nan 0.000 0.507 179 D N -0.878 119.469 120.400 -0.087 0.000 2.402 179 D HA 0.673 5.313 4.640 -0.001 0.000 0.252 179 D C 0.972 177.285 176.300 0.021 0.000 1.294 179 D CA 0.332 54.328 54.000 -0.007 0.000 0.948 179 D CB 0.684 41.509 40.800 0.041 0.000 1.202 179 D HN 0.349 nan 8.370 nan 0.000 0.561 180 A N 2.464 125.291 122.820 0.011 0.000 2.119 180 A HA 0.163 4.483 4.320 -0.001 0.000 0.217 180 A C 1.882 179.499 177.584 0.055 0.000 1.153 180 A CA 1.140 53.191 52.037 0.024 0.000 0.692 180 A CB -0.200 18.803 19.000 0.005 0.000 0.799 180 A HN 0.556 nan 8.150 nan 0.000 0.458 181 G N -2.133 106.707 108.800 0.066 0.000 2.848 181 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.208 181 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.208 181 G C 0.733 175.688 174.900 0.092 0.000 1.152 181 G CA 0.171 45.311 45.100 0.066 0.000 0.789 181 G HN 0.661 nan 8.290 nan 0.000 0.531 182 H N 1.095 120.181 119.070 0.026 0.000 2.855 182 H HA 0.345 4.900 4.556 -0.001 0.000 0.238 182 H C 0.024 175.379 175.328 0.046 0.000 1.847 182 H CA -0.117 55.953 56.048 0.038 0.000 1.368 182 H CB -0.278 29.508 29.762 0.040 0.000 1.758 182 H HN 0.333 nan 8.280 nan 0.000 0.546 183 R N 2.347 122.832 120.500 -0.025 0.000 2.710 183 R HA 0.522 4.862 4.340 -0.001 0.000 0.270 183 R C -1.189 175.114 176.300 0.004 0.000 1.021 183 R CA -0.902 55.206 56.100 0.014 0.000 0.889 183 R CB 0.998 31.331 30.300 0.054 0.000 1.243 183 R HN 0.254 nan 8.270 nan 0.000 0.464 184 I N -2.334 118.270 120.570 0.056 0.000 3.354 184 I HA 0.891 5.060 4.170 -0.001 0.000 0.316 184 I C -1.185 175.011 176.117 0.131 0.000 1.182 184 I CA -1.599 59.746 61.300 0.076 0.000 0.942 184 I CB 2.491 40.535 38.000 0.073 0.000 1.299 184 I HN 0.442 nan 8.210 nan 0.000 0.473 185 V N 2.792 122.792 119.914 0.142 0.000 2.808 185 V HA 0.584 4.704 4.120 -0.001 0.000 0.308 185 V C -1.284 174.942 176.094 0.219 0.000 1.099 185 V CA -0.394 62.015 62.300 0.182 0.000 0.920 185 V CB 2.096 33.995 31.823 0.127 0.000 1.014 185 V HN 0.654 nan 8.190 nan 0.000 0.425 186 I N 6.970 127.725 120.570 0.308 0.000 2.355 186 I HA 0.537 4.707 4.170 -0.001 0.000 0.288 186 I C -0.103 176.232 176.117 0.364 0.000 0.999 186 I CA -0.283 61.213 61.300 0.326 0.000 1.163 186 I CB 1.501 39.757 38.000 0.426 0.000 1.316 186 I HN 0.766 nan 8.210 nan 0.000 0.454 187 E N 5.707 126.076 120.200 0.282 0.000 2.312 187 E HA 0.405 4.754 4.350 -0.001 0.000 0.267 187 E C -1.075 175.659 176.600 0.224 0.000 0.894 187 E CA -1.045 55.519 56.400 0.274 0.000 0.773 187 E CB 1.797 31.617 29.700 0.201 0.000 1.241 187 E HN 0.595 nan 8.360 nan 0.000 0.432 188 E N 1.716 122.036 120.200 0.200 0.000 2.392 188 E HA 0.046 4.396 4.350 -0.001 0.000 0.264 188 E C -1.010 175.696 176.600 0.176 0.000 1.024 188 E CA -0.644 55.854 56.400 0.163 0.000 0.903 188 E CB 0.503 30.272 29.700 0.114 0.000 0.963 188 E HN 0.457 nan 8.360 nan 0.000 0.432 189 F N 4.265 124.234 119.950 0.032 0.000 2.472 189 F HA 0.270 4.797 4.527 -0.001 0.000 0.364 189 F C -1.023 174.783 175.800 0.011 0.000 1.090 189 F CA -0.584 57.428 58.000 0.020 0.000 1.188 189 F CB 0.290 39.298 39.000 0.013 0.000 1.105 189 F HN 0.389 nan 8.300 nan 0.000 0.536 190 L N 6.290 127.174 121.223 -0.565 0.000 2.319 190 L HA 0.264 4.603 4.340 -0.001 0.000 0.281 190 L C -0.781 175.646 176.870 -0.738 0.000 1.005 190 L CA -0.775 53.756 54.840 -0.514 0.000 0.828 190 L CB 1.507 43.421 42.059 -0.242 0.000 1.227 190 L HN 0.442 nan 8.230 nan 0.000 0.415 191 D N 2.892 122.893 120.400 -0.665 0.000 2.564 191 D HA 0.513 5.152 4.640 -0.001 0.000 0.226 191 D C 0.150 176.316 176.300 -0.223 0.000 1.149 191 D CA 0.185 53.906 54.000 -0.465 0.000 0.994 191 D CB 0.748 41.357 40.800 -0.318 0.000 1.029 191 D HN 0.657 nan 8.370 nan 0.000 0.517 192 G N 1.128 109.815 108.800 -0.187 0.000 2.871 192 G HA2 0.394 4.354 3.960 -0.001 0.000 0.282 192 G HA3 0.394 4.354 3.960 -0.001 0.000 0.282 192 G C -1.042 173.801 174.900 -0.096 0.000 1.212 192 G CA -0.596 44.432 45.100 -0.120 0.000 0.812 192 G HN 0.193 nan 8.290 nan 0.000 0.547 193 E N 0.181 120.331 120.200 -0.083 0.000 2.222 193 E HA 0.354 4.704 4.350 -0.001 0.000 0.267 193 E C -0.914 175.637 176.600 -0.081 0.000 0.884 193 E CA -0.360 55.996 56.400 -0.074 0.000 0.764 193 E CB 2.423 32.086 29.700 -0.061 0.000 1.169 193 E HN 0.404 nan 8.360 nan 0.000 0.413 194 E N 0.942 121.093 120.200 -0.081 0.000 2.313 194 E HA 0.569 4.918 4.350 -0.001 0.000 0.272 194 E C -0.917 175.624 176.600 -0.099 0.000 1.038 194 E CA -0.456 55.891 56.400 -0.087 0.000 0.863 194 E CB 1.596 31.252 29.700 -0.074 0.000 1.060 194 E HN 0.431 nan 8.360 nan 0.000 0.402 195 A N 1.804 124.561 122.820 -0.104 0.000 2.606 195 A HA 0.535 4.855 4.320 -0.001 0.000 0.293 195 A C -1.024 176.479 177.584 -0.136 0.000 1.082 195 A CA -0.741 51.228 52.037 -0.113 0.000 0.685 195 A CB 1.885 20.838 19.000 -0.080 0.000 1.284 195 A HN 0.439 nan 8.150 nan 0.000 0.408 196 S N 0.138 115.745 115.700 -0.155 0.000 2.489 196 S HA 0.735 5.205 4.470 -0.001 0.000 0.291 196 S C -1.237 173.239 174.600 -0.208 0.000 1.151 196 S CA -0.140 57.891 58.200 -0.281 0.000 1.082 196 S CB 0.725 63.822 63.200 -0.170 0.000 1.019 196 S HN 0.637 nan 8.310 nan 0.000 0.492 197 F N 3.320 122.985 119.950 -0.475 0.000 2.539 197 F HA 0.603 5.130 4.527 -0.001 0.000 0.328 197 F C -1.148 174.453 175.800 -0.332 0.000 1.148 197 F CA -0.711 57.094 58.000 -0.326 0.000 0.940 197 F CB 0.571 39.408 39.000 -0.272 0.000 1.194 197 F HN 0.419 nan 8.300 nan 0.000 0.438 198 I N 6.980 127.311 120.570 -0.399 0.000 2.474 198 I HA 0.679 4.848 4.170 -0.001 0.000 0.294 198 I C -0.822 175.140 176.117 -0.258 0.000 1.005 198 I CA -1.196 59.936 61.300 -0.281 0.000 1.113 198 I CB 1.903 39.667 38.000 -0.393 0.000 1.289 198 I HN 0.416 nan 8.210 nan 0.000 0.436 199 V N 2.591 122.462 119.914 -0.072 0.000 3.130 199 V HA 0.637 4.757 4.120 -0.001 0.000 0.310 199 V C -0.708 175.481 176.094 0.159 0.000 1.158 199 V CA -0.933 61.377 62.300 0.015 0.000 1.029 199 V CB 2.285 34.116 31.823 0.014 0.000 1.057 199 V HN 0.694 nan 8.190 nan 0.000 0.436 200 M N 2.002 121.723 119.600 0.202 0.000 2.404 200 M HA 0.763 5.242 4.480 -0.001 0.000 0.338 200 M C -1.239 175.171 176.300 0.184 0.000 1.150 200 M CA -0.782 54.689 55.300 0.285 0.000 1.016 200 M CB 2.058 34.835 32.600 0.296 0.000 1.672 200 M HN 0.643 nan 8.290 nan 0.000 0.448 201 V N 1.542 121.564 119.914 0.180 0.000 2.709 201 V HA 0.313 4.433 4.120 -0.001 0.000 0.308 201 V C -0.326 175.832 176.094 0.107 0.000 1.062 201 V CA -0.693 61.681 62.300 0.123 0.000 0.901 201 V CB 1.932 33.850 31.823 0.158 0.000 1.003 201 V HN 0.941 nan 8.190 nan 0.000 0.425 202 D N 1.143 121.612 120.400 0.116 0.000 2.469 202 D HA 0.379 5.018 4.640 -0.001 0.000 0.215 202 D C 1.069 177.385 176.300 0.027 0.000 1.154 202 D CA 0.752 54.810 54.000 0.097 0.000 0.832 202 D CB 1.194 42.106 40.800 0.186 0.000 1.008 202 D HN 0.943 nan 8.370 nan 0.000 0.506 203 G N 0.529 109.337 108.800 0.014 0.000 2.792 203 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.201 203 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.201 203 G C 0.942 175.835 174.900 -0.012 0.000 1.322 203 G CA 0.123 45.219 45.100 -0.006 0.000 0.910 203 G HN 0.231 nan 8.290 nan 0.000 0.535 204 E N 0.641 120.768 120.200 -0.122 0.000 2.434 204 E HA 0.203 4.553 4.350 -0.001 0.000 0.207 204 E C 0.144 176.703 176.600 -0.068 0.000 0.929 204 E CA 0.282 56.583 56.400 -0.165 0.000 1.001 204 E CB 0.571 30.040 29.700 -0.385 0.000 1.016 204 E HN 0.746 nan 8.360 nan 0.000 0.502 205 H N -0.929 118.280 119.070 0.232 0.000 2.529 205 H HA 0.489 5.045 4.556 -0.001 0.000 0.348 205 H C -0.626 174.782 175.328 0.132 0.000 1.152 205 H CA -0.830 55.380 56.048 0.271 0.000 1.202 205 H CB 2.227 32.105 29.762 0.194 0.000 1.562 205 H HN -0.264 nan 8.280 nan 0.000 0.515 206 V N 3.153 123.190 119.914 0.205 0.000 2.531 206 V HA 0.167 4.286 4.120 -0.001 0.000 0.301 206 V C -0.992 175.155 176.094 0.089 0.000 1.034 206 V CA -0.689 61.584 62.300 -0.046 0.000 0.865 206 V CB 1.821 33.301 31.823 -0.570 0.000 0.995 206 V HN 0.445 nan 8.190 nan 0.000 0.424 207 L N 8.825 130.112 121.223 0.105 0.000 2.318 207 L HA 0.680 5.019 4.340 -0.001 0.000 0.277 207 L C -2.591 174.355 176.870 0.127 0.000 1.008 207 L CA -1.777 53.147 54.840 0.140 0.000 0.846 207 L CB 1.669 43.820 42.059 0.154 0.000 1.220 207 L HN 0.374 nan 8.230 nan 0.000 0.423 208 P HA 0.180 nan 4.420 nan 0.000 0.268 208 P C -0.002 177.334 177.300 0.061 0.000 1.205 208 P CA -0.045 63.087 63.100 0.052 0.000 0.771 208 P CB 0.696 32.475 31.700 0.132 0.000 0.858 209 M N 1.694 121.247 119.600 -0.078 0.000 2.886 209 M HA 0.475 4.955 4.480 -0.001 0.000 0.199 209 M C 0.600 176.493 176.300 -0.679 0.000 1.435 209 M CA 0.717 56.007 55.300 -0.017 0.000 1.387 209 M CB -0.861 31.828 32.600 0.148 0.000 0.981 209 M HN 0.357 nan 8.290 nan 0.000 0.533 210 A N 0.052 122.469 122.820 -0.672 0.000 2.599 210 A HA 0.650 4.969 4.320 -0.001 0.000 0.290 210 A C -0.589 176.670 177.584 -0.542 0.000 1.101 210 A CA -0.272 51.296 52.037 -0.781 0.000 0.674 210 A CB 0.931 19.346 19.000 -0.975 0.000 1.277 210 A HN 0.449 nan 8.150 nan 0.000 0.419 211 T N -1.379 112.923 114.554 -0.419 0.000 2.940 211 T HA 0.924 5.273 4.350 -0.001 0.000 0.288 211 T C -0.084 174.502 174.700 -0.189 0.000 1.045 211 T CA 0.084 62.013 62.100 -0.285 0.000 1.018 211 T CB 1.413 70.165 68.868 -0.194 0.000 1.151 211 T HN 2.369 nan 8.240 nan 0.000 0.529 212 S N -0.104 115.498 115.700 -0.165 0.000 2.615 212 S HA 0.577 5.046 4.470 -0.001 0.000 0.268 212 S C -1.938 172.495 174.600 -0.278 0.000 1.146 212 S CA -1.086 56.993 58.200 -0.201 0.000 0.818 212 S CB 1.470 64.584 63.200 -0.144 0.000 1.111 212 S HN 0.924 nan 8.310 nan 0.000 0.465 213 Q N 0.313 119.790 119.800 -0.538 0.000 2.389 213 Q HA 0.630 4.970 4.340 -0.001 0.000 0.277 213 Q C -1.700 173.909 176.000 -0.652 0.000 1.082 213 Q CA -0.776 54.683 55.803 -0.573 0.000 0.810 213 Q CB 2.162 30.536 28.738 -0.607 0.000 1.374 213 Q HN 0.863 nan 8.270 nan 0.000 0.422 214 D N -0.679 119.501 120.400 -0.366 0.000 2.781 214 D HA 0.334 4.973 4.640 -0.001 0.000 0.295 214 D C -0.801 175.355 176.300 -0.239 0.000 1.143 214 D CA -0.532 53.345 54.000 -0.206 0.000 1.076 214 D CB 1.169 41.935 40.800 -0.056 0.000 1.444 214 D HN 0.432 nan 8.370 nan 0.000 0.567 215 H N -0.205 118.925 119.070 0.100 0.000 2.800 215 H HA 0.281 4.837 4.556 -0.001 0.000 0.322 215 H C -0.161 175.239 175.328 0.119 0.000 0.979 215 H CA -0.422 55.713 56.048 0.145 0.000 1.277 215 H CB 2.279 32.167 29.762 0.209 0.000 1.484 215 H HN 0.279 nan 8.280 nan 0.000 0.512 216 K N 1.405 121.919 120.400 0.190 0.000 2.242 216 K HA 0.075 4.394 4.320 -0.001 0.000 0.200 216 K C 0.613 177.304 176.600 0.151 0.000 1.050 216 K CA 0.294 56.669 56.287 0.145 0.000 0.981 216 K CB 0.485 33.041 32.500 0.094 0.000 0.795 216 K HN 0.293 nan 8.250 nan 0.000 0.477 217 R N 0.879 121.480 120.500 0.169 0.000 2.537 217 R HA -0.023 4.317 4.340 -0.001 0.000 0.280 217 R C 1.150 177.543 176.300 0.156 0.000 1.058 217 R CA 0.041 56.227 56.100 0.144 0.000 1.057 217 R CB 0.452 30.842 30.300 0.151 0.000 0.973 217 R HN -0.051 nan 8.270 nan 0.000 0.438 218 V N 2.162 122.156 119.914 0.134 0.000 2.667 218 V HA 0.002 4.121 4.120 -0.001 0.000 0.252 218 V C 0.977 177.179 176.094 0.181 0.000 1.065 218 V CA 1.924 64.336 62.300 0.188 0.000 1.083 218 V CB -0.091 31.840 31.823 0.179 0.000 0.692 218 V HN 0.835 nan 8.190 nan 0.000 0.468 219 G N -0.777 108.085 108.800 0.103 0.000 2.462 219 G HA2 0.404 4.364 3.960 -0.001 0.000 0.319 219 G HA3 0.404 4.364 3.960 -0.001 0.000 0.319 219 G C -1.155 173.755 174.900 0.016 0.000 1.171 219 G CA -0.509 44.624 45.100 0.055 0.000 0.920 219 G HN 0.271 nan 8.290 nan 0.000 0.499 220 D N 0.105 120.479 120.400 -0.044 0.000 2.449 220 D HA 0.115 4.754 4.640 -0.001 0.000 0.236 220 D C 0.752 176.923 176.300 -0.214 0.000 1.149 220 D CA 0.757 54.664 54.000 -0.155 0.000 0.878 220 D CB 0.576 41.263 40.800 -0.189 0.000 1.198 220 D HN 0.505 nan 8.370 nan 0.000 0.446 221 K N 1.330 121.467 120.400 -0.437 0.000 3.209 221 K HA -0.212 4.107 4.320 -0.001 0.000 0.289 221 K C -0.884 175.771 176.600 0.092 0.000 1.191 221 K CA 0.770 56.764 56.287 -0.488 0.000 0.851 221 K CB -1.001 31.211 32.500 -0.481 0.000 1.242 221 K HN 0.655 nan 8.250 nan 0.000 0.480 222 D N -0.390 120.102 120.400 0.152 0.000 2.718 222 D HA -0.135 4.505 4.640 -0.001 0.000 0.242 222 D C 0.279 176.666 176.300 0.145 0.000 1.123 222 D CA 1.890 56.031 54.000 0.235 0.000 0.690 222 D CB -1.347 39.679 40.800 0.377 0.000 1.059 222 D HN 0.632 nan 8.370 nan 0.000 0.429 223 T N -3.395 111.208 114.554 0.082 0.000 2.938 223 T HA 0.738 5.087 4.350 -0.001 0.000 0.285 223 T C 0.892 175.621 174.700 0.049 0.000 1.028 223 T CA 0.152 62.285 62.100 0.055 0.000 1.005 223 T CB 2.670 71.549 68.868 0.019 0.000 1.157 223 T HN 0.899 nan 8.240 nan 0.000 0.550 224 G N 1.222 110.041 108.800 0.032 0.000 2.750 224 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.228 224 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.228 224 G C -2.790 172.127 174.900 0.028 0.000 1.367 224 G CA -0.477 44.636 45.100 0.023 0.000 0.871 224 G HN 0.881 nan 8.290 nan 0.000 0.560 225 P HA 0.198 nan 4.420 nan 0.000 0.274 225 P C -0.223 177.083 177.300 0.011 0.000 1.237 225 P CA -0.479 62.623 63.100 0.004 0.000 0.793 225 P CB 0.614 32.301 31.700 -0.021 0.000 0.977 226 N N -0.042 118.662 118.700 0.008 0.000 2.503 226 N HA 0.232 4.971 4.740 -0.001 0.000 0.267 226 N C 0.567 176.066 175.510 -0.019 0.000 1.214 226 N CA 0.399 53.461 53.050 0.019 0.000 0.959 226 N CB 0.945 39.448 38.487 0.026 0.000 1.142 226 N HN 0.566 nan 8.380 nan 0.000 0.455 227 T N -3.366 111.202 114.554 0.023 0.000 2.693 227 T HA 0.445 4.795 4.350 -0.001 0.000 0.278 227 T C 1.044 175.808 174.700 0.108 0.000 0.994 227 T CA -0.609 61.509 62.100 0.029 0.000 1.033 227 T CB 0.948 69.904 68.868 0.146 0.000 1.342 227 T HN 0.327 nan 8.240 nan 0.000 0.538 228 G N -1.086 107.830 108.800 0.193 0.000 2.813 228 G HA2 0.492 4.451 3.960 -0.001 0.000 0.209 228 G HA3 0.492 4.451 3.960 -0.001 0.000 0.209 228 G C 0.792 175.753 174.900 0.103 0.000 1.150 228 G CA 0.016 45.194 45.100 0.130 0.000 0.785 228 G HN 1.634 nan 8.290 nan 0.000 0.535 229 G N -0.475 108.407 108.800 0.137 0.000 2.621 229 G HA2 0.154 4.113 3.960 -0.001 0.000 0.355 229 G HA3 0.154 4.113 3.960 -0.001 0.000 0.355 229 G C 0.119 175.091 174.900 0.121 0.000 1.509 229 G CA -0.544 44.623 45.100 0.113 0.000 1.000 229 G HN -0.065 nan 8.290 nan 0.000 0.646 230 M N 0.742 120.430 119.600 0.147 0.000 2.337 230 M HA 0.333 4.813 4.480 -0.001 0.000 0.256 230 M C 1.055 177.418 176.300 0.103 0.000 1.075 230 M CA 1.049 56.420 55.300 0.118 0.000 1.024 230 M CB 0.582 33.271 32.600 0.149 0.000 1.429 230 M HN 1.480 nan 8.290 nan 0.000 0.497 231 G N 0.135 109.026 108.800 0.152 0.000 2.411 231 G HA2 0.641 4.601 3.960 -0.001 0.000 0.295 231 G HA3 0.641 4.601 3.960 -0.001 0.000 0.295 231 G C -2.152 172.871 174.900 0.204 0.000 1.542 231 G CA -0.165 45.036 45.100 0.169 0.000 0.814 231 G HN 0.302 nan 8.290 nan 0.000 0.557 232 A N -0.327 122.598 122.820 0.175 0.000 2.612 232 A HA 0.981 5.300 4.320 -0.001 0.000 0.293 232 A C -1.501 176.180 177.584 0.161 0.000 1.075 232 A CA -0.614 51.472 52.037 0.082 0.000 0.680 232 A CB 1.383 20.377 19.000 -0.011 0.000 1.279 232 A HN 2.243 nan 8.150 nan 0.000 0.411 233 Y N -1.359 118.976 120.300 0.058 0.000 2.571 233 Y HA 0.873 5.422 4.550 -0.001 0.000 0.341 233 Y C -0.363 175.548 175.900 0.018 0.000 1.076 233 Y CA -0.800 57.327 58.100 0.045 0.000 1.029 233 Y CB 1.452 39.950 38.460 0.064 0.000 1.308 233 Y HN 0.988 nan 8.280 nan 0.000 0.461 234 S N 3.296 119.096 115.700 0.167 0.000 2.541 234 S HA 0.714 5.183 4.470 -0.001 0.000 0.280 234 S C -3.100 171.556 174.600 0.093 0.000 1.112 234 S CA -1.711 56.528 58.200 0.065 0.000 0.925 234 S CB 2.010 65.214 63.200 0.006 0.000 1.067 234 S HN 0.620 nan 8.310 nan 0.000 0.479 235 P HA 0.360 nan 4.420 nan 0.000 0.277 235 P C -1.234 176.092 177.300 0.044 0.000 1.271 235 P CA -0.562 62.529 63.100 -0.014 0.000 0.795 235 P CB 0.594 32.266 31.700 -0.047 0.000 1.101 236 A N 1.775 124.584 122.820 -0.017 0.000 2.310 236 A HA 0.380 4.700 4.320 -0.001 0.000 0.300 236 A C -1.553 176.057 177.584 0.044 0.000 1.269 236 A CA -1.352 50.687 52.037 0.004 0.000 0.909 236 A CB -0.655 18.309 19.000 -0.060 0.000 1.144 236 A HN 0.329 nan 8.150 nan 0.000 0.540 237 P HA -0.176 nan 4.420 nan 0.000 0.216 237 P C 1.673 178.994 177.300 0.035 0.000 1.150 237 P CA 1.828 64.964 63.100 0.060 0.000 0.837 237 P CB -0.133 31.610 31.700 0.070 0.000 0.786 238 V N -3.487 116.444 119.914 0.028 0.000 2.720 238 V HA -0.089 4.031 4.120 -0.001 0.000 0.256 238 V C 1.063 177.167 176.094 0.017 0.000 1.082 238 V CA 1.209 63.515 62.300 0.010 0.000 1.101 238 V CB -1.481 30.336 31.823 -0.010 0.000 0.693 238 V HN -0.148 nan 8.190 nan 0.000 0.479 239 V N 3.843 123.776 119.914 0.032 0.000 2.223 239 V HA 0.252 4.371 4.120 -0.001 0.000 0.249 239 V C 1.036 177.174 176.094 0.073 0.000 1.233 239 V CA 0.481 62.823 62.300 0.070 0.000 1.131 239 V CB -0.816 31.078 31.823 0.117 0.000 1.298 239 V HN 0.771 nan 8.190 nan 0.000 0.498 240 T N -0.372 114.218 114.554 0.059 0.000 2.771 240 T HA 0.155 4.504 4.350 -0.001 0.000 0.290 240 T C 0.979 175.727 174.700 0.078 0.000 1.005 240 T CA -0.456 61.673 62.100 0.049 0.000 0.944 240 T CB 0.877 69.765 68.868 0.033 0.000 1.147 240 T HN 0.388 nan 8.240 nan 0.000 0.534 241 D N 0.335 120.766 120.400 0.052 0.000 2.117 241 D HA -0.084 4.556 4.640 -0.001 0.000 0.197 241 D C 1.763 178.127 176.300 0.107 0.000 0.987 241 D CA 1.150 55.187 54.000 0.061 0.000 0.829 241 D CB -0.330 40.487 40.800 0.027 0.000 0.961 241 D HN 0.537 nan 8.370 nan 0.000 0.460 242 D N 0.087 120.530 120.400 0.071 0.000 2.097 242 D HA -0.088 4.552 4.640 -0.001 0.000 0.197 242 D C 2.331 178.667 176.300 0.060 0.000 0.984 242 D CA 0.428 54.463 54.000 0.059 0.000 0.826 242 D CB -0.268 40.552 40.800 0.032 0.000 0.973 242 D HN 0.048 nan 8.370 nan 0.000 0.460 243 V N 0.631 120.579 119.914 0.056 0.000 2.407 243 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 243 V C 2.309 178.427 176.094 0.039 0.000 1.055 243 V CA 1.863 64.179 62.300 0.027 0.000 1.049 243 V CB -0.635 31.203 31.823 0.024 0.000 0.662 243 V HN 0.288 nan 8.190 nan 0.000 0.455 244 H N 0.181 119.278 119.070 0.046 0.000 2.321 244 H HA -0.230 4.325 4.556 -0.001 0.000 0.300 244 H C 2.408 177.769 175.328 0.054 0.000 1.087 244 H CA 2.373 58.495 56.048 0.123 0.000 1.319 244 H CB -0.012 29.852 29.762 0.170 0.000 1.379 244 H HN 0.473 nan 8.280 nan 0.000 0.501 245 Q N 0.275 120.182 119.800 0.180 0.000 2.084 245 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 245 Q C 2.341 178.341 176.000 0.001 0.000 0.978 245 Q CA 1.645 57.517 55.803 0.115 0.000 0.844 245 Q CB 0.026 28.844 28.738 0.133 0.000 0.898 245 Q HN 0.488 nan 8.270 nan 0.000 0.426 246 R N -0.647 119.836 120.500 -0.028 0.000 2.120 246 R HA -0.074 4.265 4.340 -0.001 0.000 0.234 246 R C 2.288 178.504 176.300 -0.139 0.000 1.123 246 R CA 1.664 57.727 56.100 -0.061 0.000 0.975 246 R CB -0.224 30.042 30.300 -0.056 0.000 0.866 246 R HN 0.289 nan 8.270 nan 0.000 0.446 247 T N 1.013 115.409 114.554 -0.264 0.000 2.737 247 T HA -0.076 4.273 4.350 -0.001 0.000 0.265 247 T C 1.872 176.327 174.700 -0.407 0.000 1.038 247 T CA 1.041 62.862 62.100 -0.466 0.000 1.144 247 T CB -0.005 68.300 68.868 -0.938 0.000 0.866 247 T HN 0.074 nan 8.240 nan 0.000 0.434 248 M N 1.260 120.657 119.600 -0.338 0.000 2.117 248 M HA -0.036 4.444 4.480 -0.001 0.000 0.262 248 M C 2.169 178.521 176.300 0.088 0.000 1.065 248 M CA 1.569 56.784 55.300 -0.142 0.000 1.114 248 M CB -1.029 31.568 32.600 -0.004 0.000 1.361 248 M HN 0.389 nan 8.290 nan 0.000 0.408 249 E N -0.194 120.053 120.200 0.079 0.000 2.046 249 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 249 E C 2.154 178.793 176.600 0.065 0.000 0.982 249 E CA 0.898 57.365 56.400 0.112 0.000 0.800 249 E CB -0.007 29.730 29.700 0.062 0.000 0.756 249 E HN 0.510 nan 8.360 nan 0.000 0.449 250 R N -0.270 120.230 120.500 -0.001 0.000 2.173 250 R HA 0.156 4.495 4.340 -0.001 0.000 0.208 250 R C 1.899 178.192 176.300 -0.012 0.000 1.035 250 R CA 0.609 56.702 56.100 -0.011 0.000 1.004 250 R CB 0.311 30.587 30.300 -0.040 0.000 0.917 250 R HN 0.173 nan 8.270 nan 0.000 0.462 251 I N -0.636 119.906 120.570 -0.048 0.000 3.534 251 I HA -0.025 4.145 4.170 -0.001 0.000 0.251 251 I C 1.713 177.831 176.117 0.002 0.000 1.136 251 I CA 0.007 61.289 61.300 -0.029 0.000 1.475 251 I CB 0.051 37.978 38.000 -0.121 0.000 1.526 251 I HN -0.096 nan 8.210 nan 0.000 0.454 252 I N 0.588 121.096 120.570 -0.104 0.000 2.142 252 I HA -0.264 3.905 4.170 -0.001 0.000 0.240 252 I C 2.414 178.435 176.117 -0.160 0.000 1.078 252 I CA 2.111 63.310 61.300 -0.168 0.000 1.343 252 I CB -1.262 36.561 38.000 -0.296 0.000 1.046 252 I HN 0.399 nan 8.210 nan 0.000 0.405 253 W N 1.285 122.570 121.300 -0.024 0.000 2.355 253 W HA -0.131 4.529 4.660 -0.001 0.000 0.309 253 W C -0.157 176.347 176.519 -0.025 0.000 1.206 253 W CA 0.700 58.037 57.345 -0.014 0.000 1.284 253 W CB -1.923 27.534 29.460 -0.006 0.000 1.145 253 W HN 0.130 nan 8.180 nan 0.000 0.502 254 P HA -0.156 nan 4.420 nan 0.000 0.216 254 P C 1.448 178.750 177.300 0.003 0.000 1.150 254 P CA 2.381 65.528 63.100 0.077 0.000 0.837 254 P CB -0.224 31.508 31.700 0.052 0.000 0.786 255 T N -0.845 113.743 114.554 0.056 0.000 2.701 255 T HA -0.097 4.252 4.350 -0.001 0.000 0.263 255 T C 1.844 176.557 174.700 0.021 0.000 1.040 255 T CA 1.305 63.464 62.100 0.098 0.000 1.147 255 T CB -1.051 67.809 68.868 -0.013 0.000 0.865 255 T HN -0.130 nan 8.240 nan 0.000 0.426 256 V N 1.586 121.475 119.914 -0.041 0.000 2.287 256 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 256 V C 2.423 178.569 176.094 0.086 0.000 1.053 256 V CA 1.671 63.960 62.300 -0.019 0.000 1.027 256 V CB -0.493 31.296 31.823 -0.057 0.000 0.646 256 V HN 0.470 nan 8.190 nan 0.000 0.447 257 K N 0.063 120.547 120.400 0.140 0.000 2.155 257 K HA -0.037 4.282 4.320 -0.001 0.000 0.203 257 K C 2.224 178.858 176.600 0.057 0.000 1.052 257 K CA 1.201 57.560 56.287 0.119 0.000 0.948 257 K CB -0.495 32.084 32.500 0.132 0.000 0.728 257 K HN 0.556 nan 8.250 nan 0.000 0.448 258 G N 1.096 109.880 108.800 -0.027 0.000 2.403 258 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 258 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 258 G C 1.481 176.500 174.900 0.199 0.000 1.154 258 G CA 0.374 45.374 45.100 -0.166 0.000 0.784 258 G HN 0.041 nan 8.290 nan 0.000 0.538 259 M N 1.134 120.873 119.600 0.232 0.000 2.132 259 M HA 0.092 4.571 4.480 -0.001 0.000 0.263 259 M C 3.005 179.391 176.300 0.144 0.000 1.065 259 M CA 1.267 56.676 55.300 0.182 0.000 1.122 259 M CB -1.084 31.533 32.600 0.028 0.000 1.365 259 M HN 0.312 nan 8.290 nan 0.000 0.411 260 A N 0.410 123.295 122.820 0.109 0.000 1.877 260 A HA 0.015 4.335 4.320 -0.001 0.000 0.216 260 A C 2.406 180.044 177.584 0.090 0.000 1.186 260 A CA 2.010 54.096 52.037 0.083 0.000 0.620 260 A CB -0.927 18.115 19.000 0.070 0.000 0.822 260 A HN 0.473 nan 8.150 nan 0.000 0.443 261 A N -0.276 122.607 122.820 0.105 0.000 2.024 261 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 261 A C 1.661 179.318 177.584 0.122 0.000 1.164 261 A CA 1.567 53.667 52.037 0.106 0.000 0.643 261 A CB -0.399 18.671 19.000 0.117 0.000 0.806 261 A HN 0.654 nan 8.150 nan 0.000 0.451 262 E N -1.603 118.694 120.200 0.162 0.000 2.444 262 E HA 0.330 4.679 4.350 -0.001 0.000 0.191 262 E C 0.908 177.588 176.600 0.133 0.000 1.041 262 E CA 0.176 56.678 56.400 0.170 0.000 0.883 262 E CB 0.033 29.890 29.700 0.262 0.000 1.024 262 E HN 0.684 nan 8.360 nan 0.000 0.470 263 G N 2.214 111.073 108.800 0.099 0.000 2.143 263 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.249 263 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.249 263 G C 0.120 175.053 174.900 0.054 0.000 0.981 263 G CA -0.150 44.990 45.100 0.067 0.000 0.665 263 G HN 0.219 nan 8.290 nan 0.000 0.528 264 N N 1.230 119.973 118.700 0.072 0.000 2.660 264 N HA 0.218 4.957 4.740 -0.001 0.000 0.316 264 N C 0.210 175.739 175.510 0.032 0.000 1.774 264 N CA 0.106 53.179 53.050 0.038 0.000 0.946 264 N CB 0.697 39.217 38.487 0.056 0.000 1.322 264 N HN 0.240 nan 8.380 nan 0.000 0.492 265 T N 1.174 115.739 114.554 0.019 0.000 2.849 265 T HA -0.147 4.202 4.350 -0.001 0.000 0.289 265 T C -0.032 174.659 174.700 -0.015 0.000 1.010 265 T CA 0.805 62.914 62.100 0.015 0.000 1.161 265 T CB 0.122 68.986 68.868 -0.007 0.000 0.989 265 T HN 0.184 nan 8.240 nan 0.000 0.523 266 Y N 3.816 124.058 120.300 -0.097 0.000 2.326 266 Y HA 0.451 5.001 4.550 -0.001 0.000 0.337 266 Y C 0.662 176.471 175.900 -0.151 0.000 1.023 266 Y CA -0.584 57.430 58.100 -0.143 0.000 1.143 266 Y CB 0.850 39.207 38.460 -0.172 0.000 1.183 266 Y HN 0.752 nan 8.280 nan 0.000 0.485 267 T N 2.322 116.472 114.554 -0.674 0.000 2.900 267 T HA 0.877 5.227 4.350 -0.001 0.000 0.295 267 T C -0.062 174.131 174.700 -0.844 0.000 1.044 267 T CA -0.175 61.621 62.100 -0.506 0.000 0.995 267 T CB 1.498 70.141 68.868 -0.375 0.000 1.072 267 T HN 1.385 nan 8.240 nan 0.000 0.473 268 G N 1.176 109.467 108.800 -0.849 0.000 2.409 268 G HA2 0.180 4.139 3.960 -0.001 0.000 0.421 268 G HA3 0.180 4.139 3.960 -0.001 0.000 0.421 268 G C -1.228 173.396 174.900 -0.460 0.000 1.259 268 G CA -1.059 43.247 45.100 -1.322 0.000 1.011 268 G HN 0.766 nan 8.290 nan 0.000 0.497 269 F N -0.149 119.781 119.950 -0.033 0.000 2.412 269 F HA 0.658 5.185 4.527 -0.001 0.000 0.348 269 F C 0.659 176.552 175.800 0.156 0.000 1.102 269 F CA -0.507 57.572 58.000 0.130 0.000 1.196 269 F CB 1.529 40.587 39.000 0.096 0.000 1.144 269 F HN 0.428 nan 8.300 nan 0.000 0.541 270 L N 5.439 126.825 121.223 0.272 0.000 2.342 270 L HA 0.392 4.732 4.340 -0.001 0.000 0.276 270 L C -1.615 175.339 176.870 0.140 0.000 0.997 270 L CA -0.847 54.052 54.840 0.098 0.000 0.838 270 L CB 0.737 42.681 42.059 -0.191 0.000 1.224 270 L HN 0.504 nan 8.230 nan 0.000 0.416 271 Y N 4.808 125.148 120.300 0.066 0.000 2.330 271 Y HA 0.761 5.311 4.550 -0.001 0.000 0.336 271 Y C -0.551 175.456 175.900 0.178 0.000 1.036 271 Y CA -0.664 57.473 58.100 0.061 0.000 1.125 271 Y CB 1.561 40.034 38.460 0.021 0.000 1.194 271 Y HN 0.744 nan 8.280 nan 0.000 0.469 272 A N 4.800 127.452 122.820 -0.280 0.000 2.340 272 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 272 A C -0.148 177.119 177.584 -0.528 0.000 1.195 272 A CA -0.316 51.568 52.037 -0.255 0.000 0.769 272 A CB 0.120 19.052 19.000 -0.112 0.000 1.163 272 A HN 1.114 nan 8.150 nan 0.000 0.472 273 G N 2.227 110.804 108.800 -0.371 0.000 2.351 273 G HA2 0.521 4.481 3.960 -0.001 0.000 0.287 273 G HA3 0.521 4.481 3.960 -0.001 0.000 0.287 273 G C -0.276 174.487 174.900 -0.228 0.000 1.159 273 G CA -0.148 44.809 45.100 -0.239 0.000 0.929 273 G HN 0.678 nan 8.290 nan 0.000 0.435 274 L N 1.682 122.780 121.223 -0.207 0.000 2.313 274 L HA 0.713 5.052 4.340 -0.001 0.000 0.268 274 L C -0.058 176.728 176.870 -0.139 0.000 1.010 274 L CA -1.247 53.480 54.840 -0.187 0.000 0.814 274 L CB 2.242 44.185 42.059 -0.193 0.000 1.304 274 L HN 0.441 nan 8.230 nan 0.000 0.441 275 M N 2.904 122.424 119.600 -0.133 0.000 2.053 275 M HA 0.484 4.963 4.480 -0.001 0.000 0.297 275 M C -1.448 174.785 176.300 -0.112 0.000 0.921 275 M CA -0.275 54.956 55.300 -0.115 0.000 0.918 275 M CB 0.936 33.468 32.600 -0.113 0.000 1.499 275 M HN 0.227 nan 8.290 nan 0.000 0.422 276 I N 4.707 125.217 120.570 -0.099 0.000 2.315 276 I HA 0.301 4.471 4.170 -0.001 0.000 0.291 276 I C 0.062 176.129 176.117 -0.083 0.000 1.006 276 I CA -0.470 60.778 61.300 -0.087 0.000 1.265 276 I CB 0.440 38.398 38.000 -0.070 0.000 1.387 276 I HN 0.711 nan 8.210 nan 0.000 0.475 277 D N 6.945 127.297 120.400 -0.081 0.000 2.414 277 D HA 0.102 4.742 4.640 -0.001 0.000 0.251 277 D C 0.805 177.070 176.300 -0.059 0.000 1.252 277 D CA -0.392 53.560 54.000 -0.079 0.000 0.999 277 D CB 0.914 41.668 40.800 -0.078 0.000 1.093 277 D HN 0.184 nan 8.370 nan 0.000 0.515 278 K N -0.523 119.846 120.400 -0.052 0.000 2.211 278 K HA -0.156 4.163 4.320 -0.001 0.000 0.204 278 K C 1.668 178.251 176.600 -0.028 0.000 1.047 278 K CA 1.288 57.553 56.287 -0.037 0.000 0.935 278 K CB -0.303 32.180 32.500 -0.029 0.000 0.728 278 K HN 0.453 nan 8.250 nan 0.000 0.452 279 Q N -0.825 118.958 119.800 -0.030 0.000 2.403 279 Q HA 0.144 4.483 4.340 -0.001 0.000 0.203 279 Q C 0.725 176.711 176.000 -0.024 0.000 0.932 279 Q CA 0.647 56.436 55.803 -0.023 0.000 0.945 279 Q CB 0.568 29.293 28.738 -0.022 0.000 1.045 279 Q HN 0.482 nan 8.270 nan 0.000 0.511 280 G N 0.563 109.345 108.800 -0.031 0.000 2.132 280 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.228 280 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.228 280 G C -0.459 174.417 174.900 -0.041 0.000 1.000 280 G CA -0.305 44.777 45.100 -0.030 0.000 0.693 280 G HN 0.261 nan 8.290 nan 0.000 0.515 281 N N 1.994 120.665 118.700 -0.049 0.000 2.426 281 N HA 0.393 5.132 4.740 -0.001 0.000 0.257 281 N C -2.516 172.947 175.510 -0.078 0.000 1.002 281 N CA -0.956 52.059 53.050 -0.058 0.000 0.942 281 N CB 2.195 40.652 38.487 -0.050 0.000 1.112 281 N HN 0.253 nan 8.380 nan 0.000 0.499 282 P HA 0.285 nan 4.420 nan 0.000 0.282 282 P C -0.760 176.463 177.300 -0.127 0.000 1.249 282 P CA -0.280 62.742 63.100 -0.130 0.000 0.806 282 P CB 1.650 33.243 31.700 -0.179 0.000 0.984 283 K N 1.149 121.467 120.400 -0.137 0.000 2.468 283 K HA 0.381 4.700 4.320 -0.001 0.000 0.252 283 K C -0.969 175.529 176.600 -0.170 0.000 0.932 283 K CA -1.043 55.167 56.287 -0.129 0.000 0.794 283 K CB 2.536 34.977 32.500 -0.098 0.000 1.241 283 K HN 0.168 nan 8.250 nan 0.000 0.428 284 V N 4.923 124.719 119.914 -0.197 0.000 2.455 284 V HA 0.129 4.248 4.120 -0.001 0.000 0.273 284 V C 1.321 177.275 176.094 -0.234 0.000 1.045 284 V CA 0.049 62.167 62.300 -0.304 0.000 0.976 284 V CB 0.595 32.136 31.823 -0.469 0.000 0.993 284 V HN 0.777 nan 8.190 nan 0.000 0.475 285 I N 3.001 123.437 120.570 -0.224 0.000 2.628 285 I HA 0.130 4.299 4.170 -0.001 0.000 0.255 285 I C 0.969 176.989 176.117 -0.161 0.000 1.119 285 I CA 0.712 61.919 61.300 -0.154 0.000 1.448 285 I CB 0.361 38.292 38.000 -0.115 0.000 1.133 285 I HN 0.896 nan 8.210 nan 0.000 0.438 286 E N -0.673 119.402 120.200 -0.207 0.000 2.409 286 E HA 0.370 4.720 4.350 -0.001 0.000 0.280 286 E C -1.600 174.897 176.600 -0.172 0.000 1.079 286 E CA -0.760 55.558 56.400 -0.137 0.000 0.840 286 E CB 1.336 31.027 29.700 -0.015 0.000 1.309 286 E HN -0.215 nan 8.360 nan 0.000 0.447 287 F N 0.775 120.775 119.950 0.084 0.000 2.522 287 F HA 0.563 5.090 4.527 -0.001 0.000 0.324 287 F C -0.313 175.561 175.800 0.124 0.000 1.077 287 F CA -0.801 57.258 58.000 0.098 0.000 0.944 287 F CB 2.137 41.149 39.000 0.021 0.000 1.175 287 F HN 0.382 nan 8.300 nan 0.000 0.468 288 N N 0.459 119.413 118.700 0.423 0.000 2.296 288 N HA 0.262 5.001 4.740 -0.001 0.000 0.294 288 N C -0.905 174.731 175.510 0.209 0.000 1.033 288 N CA -0.449 52.725 53.050 0.206 0.000 0.839 288 N CB 1.806 40.288 38.487 -0.008 0.000 1.395 288 N HN 0.500 nan 8.380 nan 0.000 0.479 289 C N 2.347 121.742 119.300 0.158 0.000 2.305 289 C HA 0.271 4.731 4.460 -0.001 0.000 0.361 289 C C 0.484 175.595 174.990 0.201 0.000 1.312 289 C CA -0.110 59.037 59.018 0.215 0.000 1.705 289 C CB -2.256 25.583 27.740 0.165 0.000 1.882 289 C HN 0.642 nan 8.230 nan 0.000 0.587 290 R N -2.437 118.189 120.500 0.209 0.000 2.764 290 R HA 0.455 4.794 4.340 -0.001 0.000 0.276 290 R C -0.979 175.440 176.300 0.199 0.000 1.021 290 R CA -0.811 55.450 56.100 0.268 0.000 0.870 290 R CB -0.089 30.327 30.300 0.195 0.000 1.293 290 R HN -0.126 nan 8.270 nan 0.000 0.469 291 F N 1.261 121.232 119.950 0.035 0.000 2.572 291 F HA 0.405 4.931 4.527 -0.001 0.000 0.370 291 F C 1.422 177.124 175.800 -0.164 0.000 1.103 291 F CA 1.238 59.150 58.000 -0.146 0.000 1.286 291 F CB 0.736 39.515 39.000 -0.369 0.000 1.105 291 F HN 0.695 nan 8.300 nan 0.000 0.583 292 G N 3.974 112.807 108.800 0.056 0.000 2.380 292 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.242 292 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.242 292 G C 0.735 175.595 174.900 -0.066 0.000 1.298 292 G CA -0.412 44.516 45.100 -0.288 0.000 0.878 292 G HN 0.742 nan 8.290 nan 0.000 0.542 293 D N 1.315 121.646 120.400 -0.115 0.000 2.212 293 D HA -0.202 4.437 4.640 -0.001 0.000 0.197 293 D C 2.447 178.691 176.300 -0.093 0.000 1.004 293 D CA 1.318 55.266 54.000 -0.086 0.000 0.864 293 D CB -0.125 40.630 40.800 -0.074 0.000 1.027 293 D HN 0.273 nan 8.370 nan 0.000 0.455 294 L N 1.510 122.692 121.223 -0.068 0.000 1.994 294 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 294 L C 2.277 179.109 176.870 -0.062 0.000 1.071 294 L CA 2.043 56.846 54.840 -0.063 0.000 0.745 294 L CB -1.025 41.020 42.059 -0.024 0.000 0.892 294 L HN 0.152 nan 8.230 nan 0.000 0.431 295 E N -1.354 118.841 120.200 -0.007 0.000 2.171 295 E HA -0.252 4.098 4.350 -0.001 0.000 0.197 295 E C 1.903 178.500 176.600 -0.004 0.000 0.997 295 E CA 1.823 58.240 56.400 0.028 0.000 0.810 295 E CB -1.491 28.282 29.700 0.122 0.000 0.738 295 E HN 0.543 nan 8.360 nan 0.000 0.467 296 T N 1.846 116.350 114.554 -0.083 0.000 2.737 296 T HA -0.225 4.125 4.350 -0.001 0.000 0.269 296 T C 1.929 176.369 174.700 -0.433 0.000 1.040 296 T CA 1.998 63.856 62.100 -0.403 0.000 1.142 296 T CB -0.186 68.309 68.868 -0.622 0.000 0.861 296 T HN 0.312 nan 8.240 nan 0.000 0.456 297 Q N 0.448 120.002 119.800 -0.410 0.000 1.967 297 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 297 Q C -0.348 175.530 176.000 -0.203 0.000 0.985 297 Q CA 1.652 57.125 55.803 -0.549 0.000 0.839 297 Q CB -0.977 27.480 28.738 -0.469 0.000 0.906 297 Q HN 0.442 nan 8.270 nan 0.000 0.423 298 P HA -0.137 nan 4.420 nan 0.000 0.221 298 P C 1.065 178.413 177.300 0.081 0.000 1.150 298 P CA 1.253 64.382 63.100 0.047 0.000 0.800 298 P CB -0.032 31.702 31.700 0.057 0.000 0.787 299 I N -0.901 119.704 120.570 0.058 0.000 2.252 299 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 299 I C 2.574 178.852 176.117 0.269 0.000 1.102 299 I CA 1.263 62.661 61.300 0.163 0.000 1.385 299 I CB -0.599 37.508 38.000 0.178 0.000 1.064 299 I HN -0.127 nan 8.210 nan 0.000 0.414 300 M N -0.187 119.469 119.600 0.093 0.000 2.279 300 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 300 M C 2.312 178.799 176.300 0.310 0.000 1.062 300 M CA 1.462 56.852 55.300 0.150 0.000 1.099 300 M CB -1.026 31.589 32.600 0.026 0.000 1.394 300 M HN 0.245 nan 8.290 nan 0.000 0.426 301 L N 0.142 121.533 121.223 0.280 0.000 2.275 301 L HA -0.118 4.222 4.340 -0.001 0.000 0.215 301 L C 2.213 179.229 176.870 0.244 0.000 1.119 301 L CA 1.654 56.675 54.840 0.301 0.000 0.790 301 L CB -0.322 41.854 42.059 0.196 0.000 0.919 301 L HN 0.184 nan 8.230 nan 0.000 0.443 302 R N -1.628 119.032 120.500 0.268 0.000 2.265 302 R HA 0.162 4.502 4.340 -0.001 0.000 0.194 302 R C 0.730 177.170 176.300 0.233 0.000 0.931 302 R CA -0.178 56.100 56.100 0.297 0.000 1.032 302 R CB 0.037 30.581 30.300 0.407 0.000 0.980 302 R HN 0.266 nan 8.270 nan 0.000 0.497 303 M N 2.005 121.638 119.600 0.056 0.000 2.268 303 M HA 0.004 4.484 4.480 -0.001 0.000 0.349 303 M C 0.275 176.357 176.300 -0.364 0.000 1.485 303 M CA 0.828 55.805 55.300 -0.538 0.000 1.094 303 M CB 0.543 32.879 32.600 -0.441 0.000 1.843 303 M HN -0.073 nan 8.290 nan 0.000 0.460 304 K N 1.898 122.018 120.400 -0.466 0.000 2.354 304 K HA 0.167 4.486 4.320 -0.001 0.000 0.194 304 K C 0.402 176.840 176.600 -0.270 0.000 1.045 304 K CA -0.021 56.102 56.287 -0.273 0.000 1.026 304 K CB 0.461 32.847 32.500 -0.190 0.000 0.866 304 K HN 0.586 nan 8.250 nan 0.000 0.530 305 S N 1.623 117.104 115.700 -0.367 0.000 2.600 305 S HA 0.004 4.473 4.470 -0.001 0.000 0.265 305 S C -0.137 174.344 174.600 -0.198 0.000 1.325 305 S CA -0.441 57.606 58.200 -0.255 0.000 1.002 305 S CB 0.724 63.767 63.200 -0.263 0.000 0.921 305 S HN 0.142 nan 8.310 nan 0.000 0.554 306 D N 1.243 121.560 120.400 -0.139 0.000 2.339 306 D HA 0.082 4.722 4.640 -0.001 0.000 0.241 306 D C 0.800 177.042 176.300 -0.096 0.000 1.183 306 D CA -0.446 53.486 54.000 -0.114 0.000 0.859 306 D CB 0.838 41.587 40.800 -0.086 0.000 1.067 306 D HN 0.325 nan 8.370 nan 0.000 0.484 307 L N 5.323 126.493 121.223 -0.089 0.000 2.046 307 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 307 L C 2.001 178.825 176.870 -0.075 0.000 1.077 307 L CA 1.584 56.392 54.840 -0.054 0.000 0.747 307 L CB -0.305 41.746 42.059 -0.013 0.000 0.896 307 L HN 0.375 nan 8.230 nan 0.000 0.432 308 V N -0.205 119.670 119.914 -0.064 0.000 2.295 308 V HA -0.301 3.819 4.120 -0.001 0.000 0.246 308 V C 2.583 178.638 176.094 -0.065 0.000 1.049 308 V CA 2.022 64.289 62.300 -0.056 0.000 1.024 308 V CB -0.717 31.089 31.823 -0.028 0.000 0.648 308 V HN 0.608 nan 8.190 nan 0.000 0.447 309 E N 0.081 120.246 120.200 -0.059 0.000 2.085 309 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 309 E C 2.238 178.801 176.600 -0.063 0.000 0.994 309 E CA 1.466 57.836 56.400 -0.050 0.000 0.801 309 E CB -0.113 29.560 29.700 -0.046 0.000 0.743 309 E HN 0.570 nan 8.360 nan 0.000 0.453 310 L N 0.191 121.364 121.223 -0.083 0.000 2.056 310 L HA -0.211 4.128 4.340 -0.001 0.000 0.207 310 L C 2.802 179.563 176.870 -0.181 0.000 1.078 310 L CA 0.887 55.670 54.840 -0.095 0.000 0.749 310 L CB -0.418 41.597 42.059 -0.074 0.000 0.901 310 L HN 0.380 nan 8.230 nan 0.000 0.433 311 C N -0.119 119.003 119.300 -0.295 0.000 2.429 311 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 311 C C 2.778 177.669 174.990 -0.166 0.000 1.262 311 C CA 0.437 59.162 59.018 -0.489 0.000 1.733 311 C CB -0.747 26.689 27.740 -0.506 0.000 2.010 311 C HN 0.424 nan 8.230 nan 0.000 0.483 312 L N 0.974 122.148 121.223 -0.082 0.000 2.056 312 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 312 L C 2.889 179.764 176.870 0.009 0.000 1.078 312 L CA 1.569 56.402 54.840 -0.012 0.000 0.749 312 L CB -0.757 41.297 42.059 -0.008 0.000 0.901 312 L HN 0.324 nan 8.230 nan 0.000 0.433 313 A N 0.039 122.856 122.820 -0.005 0.000 1.933 313 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 313 A C 2.514 180.133 177.584 0.058 0.000 1.175 313 A CA 1.738 53.787 52.037 0.020 0.000 0.628 313 A CB -0.671 18.334 19.000 0.008 0.000 0.814 313 A HN 0.408 nan 8.150 nan 0.000 0.444 314 A N -1.146 121.714 122.820 0.067 0.000 1.930 314 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 314 A C 2.213 179.890 177.584 0.155 0.000 1.175 314 A CA 1.601 53.731 52.037 0.154 0.000 0.627 314 A CB -1.194 17.968 19.000 0.269 0.000 0.815 314 A HN 0.601 nan 8.150 nan 0.000 0.443 315 C N 0.237 119.618 119.300 0.134 0.000 2.432 315 C HA -0.032 4.428 4.460 -0.001 0.000 0.282 315 C C 2.051 177.085 174.990 0.074 0.000 1.388 315 C CA 1.068 60.150 59.018 0.107 0.000 1.777 315 C CB -1.207 26.593 27.740 0.100 0.000 1.882 315 C HN 0.830 nan 8.230 nan 0.000 0.520 316 E N -0.083 120.160 120.200 0.071 0.000 2.499 316 E HA 0.190 4.540 4.350 -0.001 0.000 0.199 316 E C 0.406 177.055 176.600 0.081 0.000 1.016 316 E CA 0.296 56.733 56.400 0.061 0.000 0.933 316 E CB -0.000 29.727 29.700 0.046 0.000 1.050 316 E HN 0.272 nan 8.360 nan 0.000 0.462 317 S N 0.570 116.336 115.700 0.109 0.000 3.641 317 S HA -0.181 4.289 4.470 -0.001 0.000 0.346 317 S C 0.286 175.017 174.600 0.218 0.000 1.074 317 S CA 1.121 59.423 58.200 0.171 0.000 1.026 317 S CB -1.226 62.058 63.200 0.139 0.000 0.908 317 S HN 0.497 nan 8.310 nan 0.000 0.479 318 K N -0.215 120.263 120.400 0.131 0.000 2.618 318 K HA 0.304 4.624 4.320 -0.001 0.000 0.207 318 K C 1.082 177.686 176.600 0.006 0.000 1.058 318 K CA -0.424 55.889 56.287 0.044 0.000 1.086 318 K CB 0.247 32.762 32.500 0.026 0.000 0.827 318 K HN 0.173 nan 8.250 nan 0.000 0.481 319 L N 2.330 123.598 121.223 0.075 0.000 2.191 319 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 319 L C 1.687 178.552 176.870 -0.008 0.000 1.103 319 L CA 1.903 56.787 54.840 0.072 0.000 0.769 319 L CB -0.187 41.978 42.059 0.177 0.000 0.908 319 L HN 0.330 nan 8.230 nan 0.000 0.438 320 D N -1.322 118.948 120.400 -0.216 0.000 2.371 320 D HA -0.193 4.447 4.640 -0.001 0.000 0.221 320 D C 1.210 177.442 176.300 -0.113 0.000 0.986 320 D CA 0.709 54.574 54.000 -0.225 0.000 0.899 320 D CB -0.229 40.229 40.800 -0.571 0.000 0.902 320 D HN 0.511 nan 8.370 nan 0.000 0.530 321 E N -0.407 119.741 120.200 -0.086 0.000 2.481 321 E HA 0.085 4.435 4.350 -0.001 0.000 0.198 321 E C 0.184 176.777 176.600 -0.012 0.000 1.027 321 E CA -0.109 56.267 56.400 -0.041 0.000 0.900 321 E CB 0.558 30.235 29.700 -0.038 0.000 0.993 321 E HN 0.074 nan 8.360 nan 0.000 0.482 322 K N 0.435 120.835 120.400 0.000 0.000 2.295 322 K HA 0.435 4.754 4.320 -0.001 0.000 0.239 322 K C -0.227 176.394 176.600 0.036 0.000 0.991 322 K CA -0.477 55.819 56.287 0.014 0.000 0.845 322 K CB 2.034 34.542 32.500 0.014 0.000 1.197 322 K HN -0.133 nan 8.250 nan 0.000 0.441 323 T N -0.581 113.993 114.554 0.033 0.000 2.916 323 T HA 0.452 4.802 4.350 -0.001 0.000 0.292 323 T C -1.181 173.547 174.700 0.048 0.000 1.055 323 T CA -0.617 61.516 62.100 0.055 0.000 1.009 323 T CB 0.933 69.828 68.868 0.044 0.000 1.118 323 T HN 0.563 nan 8.240 nan 0.000 0.497 324 S N 2.745 118.505 115.700 0.101 0.000 2.498 324 S HA 0.591 5.060 4.470 -0.001 0.000 0.317 324 S C -0.661 173.942 174.600 0.004 0.000 1.090 324 S CA -0.897 57.343 58.200 0.067 0.000 1.089 324 S CB 1.043 64.433 63.200 0.318 0.000 0.997 324 S HN 0.748 nan 8.310 nan 0.000 0.470 325 E N 2.078 122.121 120.200 -0.261 0.000 2.216 325 E HA 0.420 4.769 4.350 -0.001 0.000 0.279 325 E C -1.400 174.849 176.600 -0.586 0.000 0.997 325 E CA -0.484 55.782 56.400 -0.224 0.000 0.817 325 E CB 1.075 30.684 29.700 -0.152 0.000 1.096 325 E HN 0.699 nan 8.360 nan 0.000 0.393 326 W N 1.323 122.632 121.300 0.015 0.000 2.844 326 W HA 0.199 4.859 4.660 -0.001 0.000 0.340 326 W C -0.127 176.400 176.519 0.014 0.000 1.093 326 W CA -0.735 56.620 57.345 0.017 0.000 1.212 326 W CB 1.069 30.537 29.460 0.013 0.000 1.422 326 W HN 0.335 nan 8.180 nan 0.000 0.515 327 D N 2.404 122.934 120.400 0.216 0.000 2.424 327 D HA -0.053 4.587 4.640 -0.001 0.000 0.244 327 D C 1.299 177.681 176.300 0.137 0.000 1.134 327 D CA 0.372 54.449 54.000 0.128 0.000 0.881 327 D CB 1.142 42.000 40.800 0.097 0.000 1.191 327 D HN 0.740 nan 8.370 nan 0.000 0.445 328 E N 3.420 123.672 120.200 0.088 0.000 2.204 328 E HA -0.135 4.214 4.350 -0.001 0.000 0.194 328 E C 0.239 176.865 176.600 0.043 0.000 0.989 328 E CA 0.457 56.901 56.400 0.074 0.000 0.824 328 E CB 0.105 29.849 29.700 0.072 0.000 0.756 328 E HN 0.320 nan 8.360 nan 0.000 0.477 329 R N 1.213 121.709 120.500 -0.007 0.000 2.590 329 R HA 0.328 4.668 4.340 -0.001 0.000 0.274 329 R C -0.019 176.284 176.300 0.005 0.000 1.061 329 R CA 0.041 56.097 56.100 -0.072 0.000 1.081 329 R CB 0.844 31.032 30.300 -0.186 0.000 0.984 329 R HN 0.176 nan 8.270 nan 0.000 0.448 330 A N 1.659 124.485 122.820 0.011 0.000 2.313 330 A HA 0.345 4.665 4.320 -0.001 0.000 0.261 330 A C -0.137 177.481 177.584 0.057 0.000 1.090 330 A CA -0.123 51.944 52.037 0.051 0.000 0.807 330 A CB 1.184 20.218 19.000 0.057 0.000 1.055 330 A HN 0.556 nan 8.150 nan 0.000 0.492 331 S N -0.786 114.969 115.700 0.091 0.000 2.548 331 S HA 0.729 5.199 4.470 -0.001 0.000 0.286 331 S C -1.295 173.381 174.600 0.127 0.000 1.098 331 S CA -0.523 57.733 58.200 0.093 0.000 0.930 331 S CB 0.975 64.237 63.200 0.103 0.000 1.070 331 S HN 1.051 nan 8.310 nan 0.000 0.480 332 L N 2.831 124.115 121.223 0.102 0.000 2.482 332 L HA 0.876 5.215 4.340 -0.001 0.000 0.263 332 L C -0.453 176.453 176.870 0.059 0.000 0.957 332 L CA -0.234 54.682 54.840 0.127 0.000 0.836 332 L CB 1.855 43.987 42.059 0.121 0.000 1.324 332 L HN 0.806 nan 8.230 nan 0.000 0.406 333 G N 3.209 112.047 108.800 0.063 0.000 2.542 333 G HA2 0.633 4.592 3.960 -0.001 0.000 0.311 333 G HA3 0.633 4.592 3.960 -0.001 0.000 0.311 333 G C -1.752 173.132 174.900 -0.027 0.000 1.298 333 G CA -0.482 44.620 45.100 0.003 0.000 0.973 333 G HN 0.420 nan 8.290 nan 0.000 0.487 334 V N 2.060 121.903 119.914 -0.119 0.000 2.448 334 V HA 0.372 4.491 4.120 -0.001 0.000 0.295 334 V C 0.114 176.139 176.094 -0.116 0.000 1.025 334 V CA -0.788 61.419 62.300 -0.155 0.000 0.859 334 V CB 1.602 33.184 31.823 -0.401 0.000 0.988 334 V HN 0.563 nan 8.190 nan 0.000 0.431 335 V N 6.225 126.090 119.914 -0.081 0.000 2.530 335 V HA 0.348 4.468 4.120 -0.001 0.000 0.282 335 V C 0.272 176.277 176.094 -0.150 0.000 1.048 335 V CA -0.108 62.132 62.300 -0.099 0.000 0.997 335 V CB 1.292 33.061 31.823 -0.090 0.000 0.987 335 V HN 0.799 nan 8.190 nan 0.000 0.477 336 M N 5.014 124.544 119.600 -0.117 0.000 2.088 336 M HA 0.624 5.104 4.480 -0.001 0.000 0.346 336 M C -0.012 176.252 176.300 -0.060 0.000 1.111 336 M CA -0.091 55.140 55.300 -0.115 0.000 1.017 336 M CB 1.483 34.097 32.600 0.024 0.000 1.568 336 M HN 0.744 nan 8.290 nan 0.000 0.445 337 A N 2.657 125.274 122.820 -0.338 0.000 2.313 337 A HA 0.948 5.267 4.320 -0.001 0.000 0.323 337 A C -0.545 177.065 177.584 0.045 0.000 1.133 337 A CA -0.790 51.066 52.037 -0.303 0.000 0.847 337 A CB 1.087 19.731 19.000 -0.593 0.000 1.308 337 A HN 0.824 nan 8.150 nan 0.000 0.475 338 A N 0.253 123.164 122.820 0.152 0.000 2.366 338 A HA 0.562 4.881 4.320 -0.001 0.000 0.272 338 A C 0.852 178.764 177.584 0.547 0.000 1.135 338 A CA 0.165 52.445 52.037 0.406 0.000 0.804 338 A CB -0.373 18.733 19.000 0.176 0.000 1.064 338 A HN 1.934 nan 8.150 nan 0.000 0.499 339 G N 0.624 109.758 108.800 0.556 0.000 2.224 339 G HA2 0.464 4.423 3.960 -0.001 0.000 0.239 339 G HA3 0.464 4.423 3.960 -0.001 0.000 0.239 339 G C 1.181 176.281 174.900 0.332 0.000 1.240 339 G CA 0.545 45.888 45.100 0.404 0.000 0.896 339 G HN 2.267 nan 8.290 nan 0.000 0.496 340 G N 1.687 110.614 108.800 0.212 0.000 2.339 340 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.209 340 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.209 340 G C 0.519 175.594 174.900 0.292 0.000 1.015 340 G CA 0.315 45.539 45.100 0.208 0.000 0.635 340 G HN 1.285 nan 8.290 nan 0.000 0.499 341 Y N 4.742 125.238 120.300 0.326 0.000 2.702 341 Y HA 0.384 4.934 4.550 -0.001 0.000 0.336 341 Y C -0.372 175.683 175.900 0.259 0.000 1.235 341 Y CA -0.248 58.023 58.100 0.286 0.000 1.492 341 Y CB 0.933 39.494 38.460 0.168 0.000 1.308 341 Y HN 0.102 nan 8.280 nan 0.000 0.589 342 P HA 0.014 nan 4.420 nan 0.000 0.239 342 P C 0.487 177.692 177.300 -0.159 0.000 1.184 342 P CA 0.984 63.593 63.100 -0.818 0.000 0.760 342 P CB 0.017 31.339 31.700 -0.631 0.000 0.884 343 G N -0.119 108.689 108.800 0.014 0.000 2.666 343 G HA2 0.060 4.019 3.960 -0.001 0.000 0.207 343 G HA3 0.060 4.019 3.960 -0.001 0.000 0.207 343 G C -0.381 174.637 174.900 0.197 0.000 1.481 343 G CA -0.352 44.797 45.100 0.081 0.000 1.071 343 G HN 0.007 nan 8.290 nan 0.000 0.572 344 D N -0.274 120.196 120.400 0.117 0.000 2.372 344 D HA 0.386 5.026 4.640 -0.001 0.000 0.243 344 D C -0.808 175.591 176.300 0.166 0.000 1.121 344 D CA 0.696 54.725 54.000 0.049 0.000 0.898 344 D CB 0.990 41.783 40.800 -0.012 0.000 1.202 344 D HN 0.296 nan 8.370 nan 0.000 0.428 345 Y N -0.845 119.527 120.300 0.121 0.000 2.655 345 Y HA 0.478 5.027 4.550 -0.001 0.000 0.336 345 Y C -0.739 175.223 175.900 0.103 0.000 1.154 345 Y CA -1.405 56.779 58.100 0.141 0.000 1.055 345 Y CB 0.939 39.521 38.460 0.203 0.000 1.295 345 Y HN 0.157 nan 8.280 nan 0.000 0.465 346 R N 0.966 121.643 120.500 0.295 0.000 2.540 346 R HA 0.726 5.065 4.340 -0.001 0.000 0.287 346 R C -0.890 175.555 176.300 0.242 0.000 0.980 346 R CA -0.176 56.031 56.100 0.178 0.000 0.966 346 R CB 1.491 31.880 30.300 0.148 0.000 1.106 346 R HN 1.056 nan 8.270 nan 0.000 0.480 347 T N -0.844 113.788 114.554 0.131 0.000 2.926 347 T HA 0.598 4.947 4.350 -0.001 0.000 0.289 347 T C 0.733 175.444 174.700 0.019 0.000 1.054 347 T CA -0.043 62.107 62.100 0.084 0.000 1.015 347 T CB 1.866 70.784 68.868 0.083 0.000 1.167 347 T HN 0.762 nan 8.240 nan 0.000 0.526 348 G N 0.539 109.318 108.800 -0.034 0.000 2.176 348 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.232 348 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.232 348 G C -0.416 174.454 174.900 -0.050 0.000 0.986 348 G CA -0.121 44.954 45.100 -0.042 0.000 0.643 348 G HN 0.879 nan 8.290 nan 0.000 0.522 349 D N 0.764 121.124 120.400 -0.067 0.000 2.308 349 D HA 0.416 5.055 4.640 -0.001 0.000 0.251 349 D C 0.893 177.112 176.300 -0.136 0.000 1.127 349 D CA -0.127 53.849 54.000 -0.039 0.000 0.876 349 D CB 1.904 42.748 40.800 0.072 0.000 1.176 349 D HN 0.105 nan 8.370 nan 0.000 0.446 350 V N 3.790 123.633 119.914 -0.118 0.000 2.585 350 V HA 0.036 4.156 4.120 -0.001 0.000 0.296 350 V C 0.835 176.689 176.094 -0.400 0.000 1.035 350 V CA -0.131 62.015 62.300 -0.256 0.000 1.084 350 V CB 0.306 31.972 31.823 -0.261 0.000 0.953 350 V HN 0.324 nan 8.190 nan 0.000 0.483 351 I N 5.871 126.212 120.570 -0.382 0.000 2.342 351 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 351 I C 0.193 176.080 176.117 -0.382 0.000 1.010 351 I CA -0.323 60.811 61.300 -0.277 0.000 1.308 351 I CB 0.413 38.282 38.000 -0.218 0.000 1.400 351 I HN 0.602 nan 8.210 nan 0.000 0.488 352 H N 4.068 123.051 119.070 -0.146 0.000 2.533 352 H HA 0.336 4.892 4.556 -0.001 0.000 0.343 352 H C 0.914 176.215 175.328 -0.045 0.000 1.160 352 H CA -0.120 55.829 56.048 -0.165 0.000 1.218 352 H CB 2.003 31.541 29.762 -0.374 0.000 1.566 352 H HN 0.879 nan 8.280 nan 0.000 0.522 353 G N 1.627 110.527 108.800 0.166 0.000 2.143 353 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.248 353 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.248 353 G C 0.212 175.167 174.900 0.091 0.000 0.991 353 G CA -0.078 45.108 45.100 0.143 0.000 0.689 353 G HN 0.459 nan 8.290 nan 0.000 0.522 354 L N 1.837 123.100 121.223 0.068 0.000 2.456 354 L HA 0.290 4.629 4.340 -0.001 0.000 0.272 354 L C -0.780 176.117 176.870 0.045 0.000 1.189 354 L CA -1.425 53.448 54.840 0.054 0.000 0.846 354 L CB 0.181 42.278 42.059 0.062 0.000 1.111 354 L HN 0.081 nan 8.230 nan 0.000 0.475 355 P HA 0.049 nan 4.420 nan 0.000 0.271 355 P C 0.373 177.683 177.300 0.016 0.000 1.220 355 P CA -0.136 62.974 63.100 0.016 0.000 0.768 355 P CB 1.011 32.706 31.700 -0.008 0.000 0.848 356 L N 0.810 122.042 121.223 0.014 0.000 2.446 356 L HA 0.145 4.485 4.340 -0.001 0.000 0.219 356 L C 1.317 178.191 176.870 0.007 0.000 1.116 356 L CA 0.916 55.763 54.840 0.011 0.000 0.844 356 L CB -0.070 41.997 42.059 0.013 0.000 0.970 356 L HN 0.502 nan 8.230 nan 0.000 0.457 357 E N -0.267 119.936 120.200 0.005 0.000 2.383 357 E HA 0.190 4.540 4.350 -0.001 0.000 0.275 357 E C -1.136 175.466 176.600 0.002 0.000 0.918 357 E CA -0.570 55.834 56.400 0.006 0.000 0.764 357 E CB 2.239 31.943 29.700 0.007 0.000 1.252 357 E HN -0.023 nan 8.360 nan 0.000 0.449 358 E N 2.244 122.451 120.200 0.013 0.000 2.200 358 E HA 0.343 4.692 4.350 -0.001 0.000 0.283 358 E C -1.247 175.365 176.600 0.019 0.000 1.015 358 E CA -0.562 55.846 56.400 0.013 0.000 0.819 358 E CB 1.158 30.897 29.700 0.065 0.000 1.081 358 E HN 0.153 nan 8.360 nan 0.000 0.397 359 V N 3.069 122.986 119.914 0.004 0.000 2.581 359 V HA 0.456 4.576 4.120 -0.001 0.000 0.303 359 V C 0.168 176.276 176.094 0.022 0.000 1.041 359 V CA -0.934 61.373 62.300 0.011 0.000 0.907 359 V CB 1.463 33.287 31.823 0.002 0.000 0.994 359 V HN 0.889 nan 8.190 nan 0.000 0.442 360 A N 2.970 125.810 122.820 0.032 0.000 2.546 360 A HA 0.512 4.832 4.320 -0.001 0.000 0.243 360 A C 1.433 179.038 177.584 0.034 0.000 1.063 360 A CA 0.866 52.930 52.037 0.044 0.000 0.757 360 A CB -0.565 18.457 19.000 0.036 0.000 0.991 360 A HN 2.229 nan 8.150 nan 0.000 0.503 361 G N 1.089 109.914 108.800 0.043 0.000 2.201 361 G HA2 0.267 4.227 3.960 -0.001 0.000 0.212 361 G HA3 0.267 4.227 3.960 -0.001 0.000 0.212 361 G C 0.723 175.627 174.900 0.006 0.000 0.994 361 G CA 0.223 45.339 45.100 0.027 0.000 0.644 361 G HN 2.422 nan 8.290 nan 0.000 0.508 362 G N -1.054 107.734 108.800 -0.020 0.000 2.677 362 G HA2 0.763 4.723 3.960 -0.001 0.000 0.291 362 G HA3 0.763 4.723 3.960 -0.001 0.000 0.291 362 G C -1.677 173.109 174.900 -0.190 0.000 1.435 362 G CA 0.170 45.220 45.100 -0.082 0.000 0.826 362 G HN 0.851 nan 8.290 nan 0.000 0.491 363 K N -0.206 119.994 120.400 -0.333 0.000 2.569 363 K HA 0.539 4.859 4.320 -0.001 0.000 0.259 363 K C -1.507 174.664 176.600 -0.715 0.000 0.932 363 K CA -0.550 55.345 56.287 -0.654 0.000 0.833 363 K CB 2.143 33.925 32.500 -1.196 0.000 1.340 363 K HN 0.502 nan 8.250 nan 0.000 0.429 364 V N 5.437 124.980 119.914 -0.618 0.000 2.318 364 V HA 0.479 4.598 4.120 -0.001 0.000 0.271 364 V C -0.662 175.170 176.094 -0.437 0.000 1.030 364 V CA -0.449 61.617 62.300 -0.390 0.000 0.844 364 V CB -0.075 31.655 31.823 -0.155 0.000 1.015 364 V HN 0.553 nan 8.190 nan 0.000 0.460 365 F N 3.329 123.168 119.950 -0.185 0.000 2.404 365 F HA 0.483 5.010 4.527 -0.001 0.000 0.339 365 F C 0.907 176.786 175.800 0.132 0.000 1.105 365 F CA -0.454 57.433 58.000 -0.188 0.000 1.087 365 F CB 0.728 39.517 39.000 -0.352 0.000 1.143 365 F HN 0.439 nan 8.300 nan 0.000 0.491 366 H N 1.390 120.714 119.070 0.422 0.000 2.473 366 H HA 0.618 5.173 4.556 -0.001 0.000 0.327 366 H C 0.048 175.431 175.328 0.092 0.000 1.105 366 H CA -0.412 55.736 56.048 0.166 0.000 1.280 366 H CB 1.873 31.674 29.762 0.066 0.000 1.450 366 H HN 0.818 nan 8.280 nan 0.000 0.492 367 A N 2.674 125.535 122.820 0.069 0.000 2.195 367 A HA 0.298 4.618 4.320 -0.001 0.000 0.212 367 A C 1.329 178.883 177.584 -0.051 0.000 2.368 367 A CA 0.444 52.477 52.037 -0.007 0.000 1.424 367 A CB -0.618 18.340 19.000 -0.070 0.000 1.095 367 A HN 0.688 nan 8.150 nan 0.000 0.516 368 G N 1.533 110.257 108.800 -0.127 0.000 3.209 368 G HA2 0.461 4.420 3.960 -0.001 0.000 0.274 368 G HA3 0.461 4.420 3.960 -0.001 0.000 0.274 368 G C 0.024 174.818 174.900 -0.176 0.000 0.850 368 G CA 0.732 45.746 45.100 -0.144 0.000 1.907 368 G HN 0.928 nan 8.290 nan 0.000 0.591 369 T N -1.664 112.824 114.554 -0.110 0.000 2.900 369 T HA 0.795 5.145 4.350 -0.001 0.000 0.303 369 T C -0.654 174.010 174.700 -0.059 0.000 1.142 369 T CA -1.033 61.001 62.100 -0.110 0.000 1.007 369 T CB 2.807 71.654 68.868 -0.035 0.000 1.156 369 T HN 0.616 nan 8.240 nan 0.000 0.490 370 K N 1.246 121.602 120.400 -0.073 0.000 2.555 370 K HA 0.669 4.988 4.320 -0.001 0.000 0.279 370 K C -1.470 175.093 176.600 -0.061 0.000 0.986 370 K CA -1.264 54.987 56.287 -0.060 0.000 0.880 370 K CB 1.522 33.988 32.500 -0.056 0.000 1.474 370 K HN 0.550 nan 8.250 nan 0.000 0.433 371 L N 1.754 122.944 121.223 -0.054 0.000 2.326 371 L HA 0.560 4.900 4.340 -0.001 0.000 0.278 371 L C 0.157 177.000 176.870 -0.046 0.000 1.092 371 L CA -0.567 54.243 54.840 -0.050 0.000 0.810 371 L CB 1.407 43.438 42.059 -0.046 0.000 1.153 371 L HN 0.920 nan 8.230 nan 0.000 0.439 377 V N 2.979 122.845 119.914 -0.080 0.000 2.407 377 V HA 0.658 4.777 4.120 -0.001 0.000 0.278 377 V C -0.033 175.969 176.094 -0.154 0.000 1.037 377 V CA -0.380 61.866 62.300 -0.091 0.000 0.900 377 V CB 1.073 32.867 31.823 -0.048 0.000 0.983 377 V HN 0.249 nan 8.190 nan 0.000 0.459 378 V N 1.600 121.419 119.914 -0.159 0.000 2.960 378 V HA 0.782 4.901 4.120 -0.001 0.000 0.315 378 V C 0.229 176.162 176.094 -0.269 0.000 1.087 378 V CA -0.674 61.502 62.300 -0.206 0.000 0.982 378 V CB 1.801 33.542 31.823 -0.137 0.000 1.039 378 V HN 0.878 nan 8.190 nan 0.000 0.437 379 T N 0.193 114.525 114.554 -0.370 0.000 2.926 379 T HA 0.347 4.696 4.350 -0.001 0.000 0.307 379 T C 0.148 174.716 174.700 -0.220 0.000 1.059 379 T CA 0.421 62.259 62.100 -0.436 0.000 1.122 379 T CB 0.397 68.924 68.868 -0.568 0.000 0.972 379 T HN 1.100 nan 8.240 nan 0.000 0.545 380 N N 0.402 118.989 118.700 -0.188 0.000 2.581 380 N HA 0.402 5.142 4.740 -0.001 0.000 0.274 380 N C -0.422 175.062 175.510 -0.043 0.000 1.629 380 N CA 0.251 53.256 53.050 -0.074 0.000 0.884 380 N CB 0.552 38.995 38.487 -0.074 0.000 1.423 380 N HN 1.262 nan 8.380 nan 0.000 0.507 381 G N -2.054 106.714 108.800 -0.054 0.000 2.321 381 G HA2 0.345 4.304 3.960 -0.001 0.000 0.298 381 G HA3 0.345 4.304 3.960 -0.001 0.000 0.298 381 G C 0.552 175.083 174.900 -0.615 0.000 1.385 381 G CA -0.182 44.840 45.100 -0.129 0.000 0.856 381 G HN 0.149 nan 8.290 nan 0.000 0.584 382 G N -0.617 107.631 108.800 -0.920 0.000 2.414 382 G HA2 0.057 4.017 3.960 -0.001 0.000 0.215 382 G HA3 0.057 4.017 3.960 -0.001 0.000 0.215 382 G C 0.758 175.056 174.900 -1.004 0.000 1.188 382 G CA 0.487 44.810 45.100 -1.296 0.000 0.783 382 G HN 0.615 nan 8.290 nan 0.000 0.537 383 R N 0.316 120.317 120.500 -0.832 0.000 2.202 383 R HA 0.396 4.736 4.340 -0.001 0.000 0.334 383 R C 0.544 176.632 176.300 -0.354 0.000 1.036 383 R CA -0.474 55.285 56.100 -0.568 0.000 0.878 383 R CB 1.960 31.989 30.300 -0.452 0.000 1.067 383 R HN 0.116 nan 8.270 nan 0.000 0.457 384 V N 3.978 123.725 119.914 -0.280 0.000 2.436 384 V HA 0.110 4.229 4.120 -0.001 0.000 0.240 384 V C 0.810 176.767 176.094 -0.228 0.000 1.040 384 V CA 0.965 63.088 62.300 -0.295 0.000 1.052 384 V CB -0.028 31.500 31.823 -0.490 0.000 0.707 384 V HN 0.531 nan 8.190 nan 0.000 0.469 385 L N -1.122 120.027 121.223 -0.124 0.000 2.359 385 L HA 0.618 4.958 4.340 -0.001 0.000 0.256 385 L C -1.346 175.489 176.870 -0.059 0.000 1.026 385 L CA -0.515 54.262 54.840 -0.105 0.000 0.828 385 L CB 2.486 44.486 42.059 -0.098 0.000 1.406 385 L HN 0.082 nan 8.230 nan 0.000 0.413 386 C N 1.761 121.045 119.300 -0.027 0.000 2.571 386 C HA 0.617 5.077 4.460 -0.001 0.000 0.343 386 C C -0.507 174.471 174.990 -0.019 0.000 1.082 386 C CA -0.384 58.625 59.018 -0.015 0.000 1.339 386 C CB 0.497 28.249 27.740 0.019 0.000 1.893 386 C HN 0.483 nan 8.230 nan 0.000 0.445 387 V N 6.699 126.566 119.914 -0.078 0.000 2.385 387 V HA 0.510 4.629 4.120 -0.001 0.000 0.269 387 V C 0.857 176.889 176.094 -0.104 0.000 1.043 387 V CA 0.198 62.429 62.300 -0.116 0.000 0.906 387 V CB 1.314 33.055 31.823 -0.136 0.000 0.995 387 V HN 0.948 nan 8.190 nan 0.000 0.467 388 T N 2.260 116.757 114.554 -0.096 0.000 2.918 388 T HA 0.916 5.266 4.350 -0.001 0.000 0.286 388 T C -0.424 174.238 174.700 -0.064 0.000 1.026 388 T CA -0.463 61.611 62.100 -0.044 0.000 1.031 388 T CB 2.195 71.095 68.868 0.054 0.000 1.046 388 T HN 1.121 nan 8.240 nan 0.000 0.479 389 A N 2.123 124.929 122.820 -0.023 0.000 2.594 389 A HA 0.723 5.042 4.320 -0.001 0.000 0.295 389 A C -1.167 176.426 177.584 0.015 0.000 1.071 389 A CA -1.021 51.008 52.037 -0.013 0.000 0.685 389 A CB 1.220 20.209 19.000 -0.019 0.000 1.285 389 A HN 0.910 nan 8.150 nan 0.000 0.405 390 L N 0.788 122.018 121.223 0.012 0.000 2.360 390 L HA 0.826 5.165 4.340 -0.001 0.000 0.271 390 L C 0.713 177.573 176.870 -0.017 0.000 1.057 390 L CA -0.295 54.547 54.840 0.004 0.000 0.803 390 L CB 2.018 44.074 42.059 -0.004 0.000 1.207 390 L HN 1.004 nan 8.230 nan 0.000 0.445 391 G N -1.141 107.631 108.800 -0.047 0.000 2.667 391 G HA2 0.298 4.257 3.960 -0.001 0.000 0.294 391 G HA3 0.298 4.257 3.960 -0.001 0.000 0.294 391 G C -0.566 174.280 174.900 -0.089 0.000 1.467 391 G CA -0.519 44.556 45.100 -0.041 0.000 0.852 391 G HN 0.678 nan 8.290 nan 0.000 0.521 392 H N -0.404 118.688 119.070 0.037 0.000 2.521 392 H HA 0.126 4.682 4.556 -0.001 0.000 0.286 392 H C 1.718 177.064 175.328 0.030 0.000 1.034 392 H CA 1.862 57.931 56.048 0.034 0.000 1.278 392 H CB 0.333 30.112 29.762 0.029 0.000 1.386 392 H HN 0.640 nan 8.280 nan 0.000 0.567 393 T N -4.495 110.126 114.554 0.112 0.000 2.864 393 T HA 0.286 4.635 4.350 -0.001 0.000 0.299 393 T C 1.079 175.801 174.700 0.037 0.000 1.166 393 T CA -0.692 61.447 62.100 0.065 0.000 1.007 393 T CB 1.453 70.356 68.868 0.058 0.000 1.219 393 T HN -0.174 nan 8.240 nan 0.000 0.506 394 V N 1.186 121.102 119.914 0.004 0.000 2.490 394 V HA -0.053 4.066 4.120 -0.001 0.000 0.250 394 V C 3.034 179.124 176.094 -0.007 0.000 1.061 394 V CA 2.280 64.562 62.300 -0.031 0.000 1.064 394 V CB -1.494 30.243 31.823 -0.144 0.000 0.670 394 V HN 1.064 nan 8.190 nan 0.000 0.461 395 A N -0.280 122.544 122.820 0.007 0.000 1.902 395 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 395 A C 2.325 179.938 177.584 0.049 0.000 1.181 395 A CA 1.912 53.966 52.037 0.028 0.000 0.623 395 A CB -0.425 18.590 19.000 0.024 0.000 0.818 395 A HN 0.598 nan 8.150 nan 0.000 0.443 396 E N -0.184 120.049 120.200 0.055 0.000 2.072 396 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 396 E C 2.152 178.791 176.600 0.065 0.000 0.985 396 E CA 0.878 57.319 56.400 0.068 0.000 0.801 396 E CB -0.228 29.529 29.700 0.094 0.000 0.750 396 E HN 0.514 nan 8.360 nan 0.000 0.452 397 A N 1.198 124.051 122.820 0.054 0.000 1.902 397 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 397 A C 2.148 179.770 177.584 0.063 0.000 1.181 397 A CA 1.696 53.762 52.037 0.048 0.000 0.623 397 A CB -0.635 18.391 19.000 0.044 0.000 0.818 397 A HN 0.397 nan 8.150 nan 0.000 0.443 398 Q N -0.171 119.682 119.800 0.089 0.000 2.084 398 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 398 Q C 1.973 178.114 176.000 0.235 0.000 0.978 398 Q CA 1.874 57.777 55.803 0.167 0.000 0.844 398 Q CB -0.131 28.719 28.738 0.186 0.000 0.898 398 Q HN 0.704 nan 8.270 nan 0.000 0.426 399 K N -0.242 120.251 120.400 0.154 0.000 2.057 399 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 399 K C 2.199 178.871 176.600 0.119 0.000 1.049 399 K CA 1.124 57.493 56.287 0.136 0.000 0.931 399 K CB -0.066 32.482 32.500 0.080 0.000 0.714 399 K HN 0.149 nan 8.250 nan 0.000 0.440 400 R N 0.532 121.079 120.500 0.079 0.000 2.081 400 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 400 R C 2.365 178.679 176.300 0.025 0.000 1.131 400 R CA 1.335 57.464 56.100 0.048 0.000 0.960 400 R CB -0.735 29.585 30.300 0.033 0.000 0.856 400 R HN 0.215 nan 8.270 nan 0.000 0.436 401 A N 0.678 123.499 122.820 0.002 0.000 1.858 401 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 401 A C 2.024 179.527 177.584 -0.135 0.000 1.190 401 A CA 1.261 53.240 52.037 -0.097 0.000 0.617 401 A CB -0.815 18.082 19.000 -0.171 0.000 0.827 401 A HN 0.292 nan 8.150 nan 0.000 0.443 402 Y N -0.152 120.146 120.300 -0.002 0.000 2.293 402 Y HA -0.040 4.510 4.550 -0.001 0.000 0.291 402 Y C 2.863 178.756 175.900 -0.011 0.000 1.137 402 Y CA 0.849 58.943 58.100 -0.010 0.000 1.202 402 Y CB -0.428 38.026 38.460 -0.010 0.000 0.990 402 Y HN 0.335 nan 8.280 nan 0.000 0.537 403 A N -0.622 122.275 122.820 0.129 0.000 1.969 403 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 403 A C 2.052 179.657 177.584 0.035 0.000 1.169 403 A CA 1.264 53.344 52.037 0.071 0.000 0.635 403 A CB -0.849 18.184 19.000 0.055 0.000 0.810 403 A HN 0.392 nan 8.150 nan 0.000 0.445 404 L N -0.142 121.087 121.223 0.010 0.000 2.376 404 L HA 0.037 4.377 4.340 -0.001 0.000 0.219 404 L C 2.163 179.023 176.870 -0.018 0.000 1.133 404 L CA 1.646 56.477 54.840 -0.016 0.000 0.816 404 L CB -0.416 41.615 42.059 -0.046 0.000 0.933 404 L HN 0.641 nan 8.230 nan 0.000 0.449 405 M N -5.044 114.549 119.600 -0.012 0.000 2.419 405 M HA 0.216 4.695 4.480 -0.001 0.000 0.252 405 M C 1.294 177.608 176.300 0.023 0.000 1.143 405 M CA 0.152 55.447 55.300 -0.007 0.000 0.985 405 M CB -0.489 32.087 32.600 -0.041 0.000 1.489 405 M HN -0.178 nan 8.290 nan 0.000 0.484 406 T N 1.579 116.152 114.554 0.031 0.000 2.665 406 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 406 T C 1.032 175.752 174.700 0.034 0.000 1.035 406 T CA 2.210 64.328 62.100 0.030 0.000 1.151 406 T CB -0.287 68.596 68.868 0.024 0.000 0.862 406 T HN 0.506 nan 8.240 nan 0.000 0.438 407 D N 0.507 120.938 120.400 0.052 0.000 2.323 407 D HA 0.138 4.777 4.640 -0.001 0.000 0.209 407 D C 0.610 177.019 176.300 0.183 0.000 0.973 407 D CA 0.219 54.274 54.000 0.092 0.000 0.874 407 D CB -0.226 40.621 40.800 0.080 0.000 0.930 407 D HN 0.430 nan 8.370 nan 0.000 0.521 408 I N 1.189 121.845 120.570 0.143 0.000 2.441 408 I HA 0.249 4.418 4.170 -0.001 0.000 0.287 408 I C 0.153 176.403 176.117 0.222 0.000 1.049 408 I CA -0.195 61.208 61.300 0.173 0.000 1.381 408 I CB 0.439 38.503 38.000 0.106 0.000 1.409 408 I HN 0.064 nan 8.210 nan 0.000 0.523 409 H N 3.370 122.510 119.070 0.117 0.000 3.005 409 H HA 0.634 5.189 4.556 -0.001 0.000 0.311 409 H C -1.822 173.672 175.328 0.277 0.000 1.366 409 H CA -1.223 54.840 56.048 0.025 0.000 1.210 409 H CB 0.758 30.516 29.762 -0.006 0.000 1.894 409 H HN 0.671 nan 8.280 nan 0.000 0.520 410 W N 0.138 121.473 121.300 0.059 0.000 3.066 410 W HA 0.504 5.164 4.660 -0.001 0.000 0.330 410 W C -1.660 174.930 176.519 0.119 0.000 1.253 410 W CA -1.008 56.352 57.345 0.025 0.000 1.187 410 W CB 0.558 29.980 29.460 -0.062 0.000 1.434 410 W HN 0.543 nan 8.180 nan 0.000 0.572 411 D N 2.623 123.231 120.400 0.346 0.000 2.451 411 D HA 0.055 4.694 4.640 -0.001 0.000 0.254 411 D C 0.338 176.758 176.300 0.200 0.000 1.204 411 D CA 1.773 55.909 54.000 0.226 0.000 0.896 411 D CB 0.143 41.071 40.800 0.214 0.000 1.136 411 D HN 0.533 nan 8.370 nan 0.000 0.499 412 D N -0.332 120.113 120.400 0.074 0.000 3.068 412 D HA -0.177 4.462 4.640 -0.001 0.000 0.218 412 D C 0.410 176.730 176.300 0.032 0.000 1.145 412 D CA 0.454 54.499 54.000 0.075 0.000 0.896 412 D CB -1.776 39.116 40.800 0.153 0.000 1.105 412 D HN 0.601 nan 8.370 nan 0.000 0.423 413 C N 0.465 119.558 119.300 -0.346 0.000 2.689 413 C HA 0.698 5.157 4.460 -0.001 0.000 0.409 413 C C 0.496 175.391 174.990 -0.159 0.000 1.293 413 C CA -0.618 57.997 59.018 -0.672 0.000 2.136 413 C CB -0.251 26.352 27.740 -1.896 0.000 2.719 413 C HN 0.365 nan 8.230 nan 0.000 0.644 414 F N 1.155 120.945 119.950 -0.268 0.000 2.741 414 F HA 0.742 5.269 4.527 -0.001 0.000 0.311 414 F C -0.595 175.165 175.800 -0.067 0.000 1.149 414 F CA -0.777 57.145 58.000 -0.130 0.000 0.930 414 F CB 0.507 39.477 39.000 -0.050 0.000 1.312 414 F HN 1.170 nan 8.300 nan 0.000 0.450 415 C N 0.328 119.604 119.300 -0.040 0.000 3.311 415 C HA 0.735 5.195 4.460 -0.001 0.000 0.325 415 C C -1.052 174.012 174.990 0.124 0.000 1.352 415 C CA -1.049 57.910 59.018 -0.098 0.000 1.308 415 C CB 1.999 29.696 27.740 -0.071 0.000 1.619 415 C HN 1.195 nan 8.230 nan 0.000 0.469 416 R N 1.260 121.824 120.500 0.107 0.000 2.490 416 R HA 0.299 4.639 4.340 -0.001 0.000 0.280 416 R C 0.489 176.884 176.300 0.158 0.000 1.077 416 R CA -0.085 56.083 56.100 0.113 0.000 1.065 416 R CB 0.744 31.088 30.300 0.073 0.000 1.003 416 R HN 0.711 nan 8.270 nan 0.000 0.470 417 K N 1.363 121.788 120.400 0.042 0.000 2.358 417 K HA 0.022 4.342 4.320 -0.001 0.000 0.197 417 K C 0.187 176.664 176.600 -0.206 0.000 1.025 417 K CA 0.367 56.600 56.287 -0.091 0.000 1.104 417 K CB 0.466 32.866 32.500 -0.168 0.000 0.855 417 K HN 0.544 nan 8.250 nan 0.000 0.531 418 D N -0.033 120.315 120.400 -0.086 0.000 2.650 418 D HA 0.037 4.676 4.640 -0.001 0.000 0.265 418 D C 0.233 176.561 176.300 0.046 0.000 1.339 418 D CA -0.477 53.465 54.000 -0.095 0.000 0.816 418 D CB 0.022 40.622 40.800 -0.333 0.000 1.091 418 D HN -0.183 nan 8.370 nan 0.000 0.483 419 I N 1.799 122.448 120.570 0.131 0.000 2.828 419 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 419 I C 1.802 178.061 176.117 0.238 0.000 1.206 419 I CA 1.471 62.828 61.300 0.095 0.000 1.420 419 I CB -0.321 37.790 38.000 0.185 0.000 1.368 419 I HN 0.528 nan 8.210 nan 0.000 0.556 420 G N 7.441 116.471 108.800 0.382 0.000 2.141 420 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.231 420 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.231 420 G C 0.754 175.733 174.900 0.132 0.000 0.984 420 G CA 0.290 45.488 45.100 0.164 0.000 0.660 420 G HN 0.822 nan 8.290 nan 0.000 0.525 421 W N 1.014 122.341 121.300 0.045 0.000 2.338 421 W HA -0.046 4.613 4.660 -0.001 0.000 0.304 421 W C 1.647 178.188 176.519 0.036 0.000 1.212 421 W CA 1.604 58.960 57.345 0.019 0.000 1.264 421 W CB -1.021 28.443 29.460 0.006 0.000 1.142 421 W HN 0.258 nan 8.180 nan 0.000 0.512 422 R N 1.239 121.378 120.500 -0.602 0.000 2.075 422 R HA -0.061 4.278 4.340 -0.001 0.000 0.232 422 R C 2.649 178.793 176.300 -0.259 0.000 1.126 422 R CA 1.941 57.681 56.100 -0.599 0.000 0.963 422 R CB -1.358 28.588 30.300 -0.590 0.000 0.858 422 R HN 0.357 nan 8.270 nan 0.000 0.435 423 A N 1.065 123.760 122.820 -0.208 0.000 1.930 423 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 423 A C 2.268 179.765 177.584 -0.145 0.000 1.175 423 A CA 0.922 52.838 52.037 -0.201 0.000 0.627 423 A CB -0.404 18.316 19.000 -0.466 0.000 0.815 423 A HN 0.173 nan 8.150 nan 0.000 0.443 424 I N -0.328 120.174 120.570 -0.114 0.000 2.315 424 I HA -0.179 3.990 4.170 -0.001 0.000 0.248 424 I C 2.121 178.223 176.117 -0.025 0.000 1.117 424 I CA 1.061 62.334 61.300 -0.046 0.000 1.404 424 I CB -0.247 37.757 38.000 0.007 0.000 1.071 424 I HN 0.285 nan 8.210 nan 0.000 0.419 425 E N 0.785 120.965 120.200 -0.034 0.000 2.358 425 E HA -0.013 4.337 4.350 -0.001 0.000 0.195 425 E C 0.381 176.957 176.600 -0.040 0.000 1.010 425 E CA 0.184 56.569 56.400 -0.025 0.000 0.856 425 E CB 0.128 29.807 29.700 -0.035 0.000 0.795 425 E HN 0.303 nan 8.360 nan 0.000 0.504 426 R N 0.000 120.464 120.500 -0.059 0.000 2.786 426 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 426 R CA 0.000 56.071 56.100 -0.049 0.000 0.921 426 R CB 0.000 30.284 30.300 -0.027 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535