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 2wol_1_A DATA FIRST_RESID 8 DATA SEQUENCE PAPTTAGAGW DAGVGALVNP SRRRGGTLRL VSSADVDSLD PARTYYVWVW DATA SEQUENCE LLQRLLNRTL MAYPTDPGPA GLVPAPDLAE GPGEVSDGGR TWTYRLRRGL DATA SEQUENCE RYDDGTPITS DDVRHAVQRV FAQDVLPGGP TYLIPLLDDP ERPYPGPYRT DATA SEQUENCE DEPLRSVLTP DEHTIVFRLT RPFSDFDHLM AQPCAAPVPR RSDTGADYGR DATA SEQUENCE DPRSSGPYRV ARHEPDTLLH LERNPHWDRA TDPIRPALPD RVELTIGLDV DATA SEQUENCE DVLDARLIAG EFDINLEGRG LQHAAQRRAT ADEVLRSHTD NPRTSFLHFV DATA SEQUENCE AMQPHIPPFD NVHVRRAVQY AADKILLQDA RGGPVNGGDL TTALFPPTLP DATA SEQUENCE AHQDLDLYPT GPDLRGDLDA ARAELAAAGL PDGFRAVIGT QRGKFRLVAD DATA SEQUENCE AVVESLARVG IELTVKELDV ATYFSLGAGH PETVREHGLG LLVTDWGADF DATA SEQUENCE PTEYGFLAPL VDGRQIKRNG GNWNLPELDD PEVNALIDET LHTTDPAARA DATA SEQUENCE ELWRAVERRV MEHAVLLPLV HDKTLHFRNP WVTNVYVHPA FGLYDIQAMG DATA SEQUENCE LAE 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.450 177.300 0.250 0.000 1.155 8 P CA 0.000 63.247 63.100 0.245 0.000 0.800 8 P CB 0.000 31.783 31.700 0.138 0.000 0.726 9 A N 0.792 123.736 122.820 0.207 0.000 1.902 9 A HA -0.020 4.414 4.320 0.190 0.000 0.217 9 A C -0.714 176.956 177.584 0.142 0.000 1.181 9 A CA 2.141 54.153 52.037 -0.042 0.000 0.623 9 A CB -1.915 16.948 19.000 -0.228 0.000 0.818 9 A HN 0.554 nan 8.150 nan 0.000 0.443 10 P HA -0.077 nan 4.420 nan 0.000 0.228 10 P C 1.180 178.581 177.300 0.169 0.000 1.151 10 P CA 1.762 64.978 63.100 0.193 0.000 0.770 10 P CB -0.187 31.589 31.700 0.126 0.000 0.786 11 T N -5.993 108.656 114.554 0.158 0.000 3.014 11 T HA 0.103 4.567 4.350 0.190 0.000 0.250 11 T C 0.590 175.372 174.700 0.137 0.000 1.060 11 T CA 0.185 62.360 62.100 0.125 0.000 1.040 11 T CB -0.601 68.324 68.868 0.096 0.000 0.971 11 T HN 0.103 nan 8.240 nan 0.000 0.497 12 T N 0.319 114.988 114.554 0.193 0.000 2.921 12 T HA 0.789 5.253 4.350 0.190 0.000 0.297 12 T C -0.289 174.560 174.700 0.247 0.000 1.013 12 T CA -0.795 61.416 62.100 0.184 0.000 0.990 12 T CB 1.659 70.629 68.868 0.170 0.000 1.023 12 T HN 0.374 nan 8.240 nan 0.000 0.447 13 A N 2.438 125.326 122.820 0.113 0.000 2.462 13 A HA 0.701 5.135 4.320 0.190 0.000 0.243 13 A C 0.948 178.482 177.584 -0.082 0.000 1.076 13 A CA 0.069 52.090 52.037 -0.026 0.000 0.773 13 A CB -0.220 18.762 19.000 -0.030 0.000 1.010 13 A HN 1.250 nan 8.150 nan 0.000 0.493 14 G N -0.268 108.284 108.800 -0.414 0.000 2.641 14 G HA2 0.489 4.563 3.960 0.190 0.000 0.239 14 G HA3 0.489 4.563 3.960 0.190 0.000 0.239 14 G C 1.111 175.920 174.900 -0.150 0.000 1.402 14 G CA 0.185 45.132 45.100 -0.255 0.000 1.046 14 G HN 1.298 nan 8.290 nan 0.000 0.565 15 A N -1.885 120.873 122.820 -0.102 0.000 2.067 15 A HA 0.483 4.917 4.320 0.190 0.000 0.219 15 A C 1.392 178.949 177.584 -0.045 0.000 1.158 15 A CA 1.832 53.834 52.037 -0.058 0.000 0.661 15 A CB -0.832 18.138 19.000 -0.050 0.000 0.801 15 A HN 2.441 nan 8.150 nan 0.000 0.452 16 G N -3.335 105.429 108.800 -0.061 0.000 2.465 16 G HA2 0.028 4.102 3.960 0.190 0.000 0.681 16 G HA3 0.028 4.102 3.960 0.190 0.000 0.681 16 G C -0.451 174.491 174.900 0.071 0.000 1.340 16 G CA -0.382 44.726 45.100 0.013 0.000 0.884 16 G HN 0.830 nan 8.290 nan 0.000 0.650 17 W N 2.626 123.898 121.300 -0.048 0.000 2.435 17 W HA 0.284 5.060 4.660 0.193 0.000 0.337 17 W C 0.421 176.940 176.519 -0.000 0.000 1.300 17 W CA 1.916 59.250 57.345 -0.018 0.000 1.298 17 W CB 0.175 29.630 29.460 -0.008 0.000 1.217 17 W HN 0.905 nan 8.180 nan 0.000 0.565 18 D N 2.345 122.440 120.400 -0.509 0.000 3.077 18 D HA -0.250 4.504 4.640 0.190 0.000 0.217 18 D C 1.417 177.647 176.300 -0.118 0.000 1.162 18 D CA 1.435 55.216 54.000 -0.366 0.000 0.943 18 D CB -1.315 39.308 40.800 -0.296 0.000 1.122 18 D HN 0.473 nan 8.370 nan 0.000 0.413 19 A N 0.051 122.828 122.820 -0.071 0.000 2.019 19 A HA 0.133 4.567 4.320 0.190 0.000 0.219 19 A C 2.267 179.845 177.584 -0.010 0.000 1.164 19 A CA 1.962 53.983 52.037 -0.026 0.000 0.644 19 A CB -0.312 18.672 19.000 -0.027 0.000 0.805 19 A HN 0.402 nan 8.150 nan 0.000 0.449 20 G N -1.189 107.611 108.800 -0.000 0.000 3.141 20 G HA2 0.371 4.445 3.960 0.190 0.000 0.218 20 G HA3 0.371 4.445 3.960 0.190 0.000 0.218 20 G C 0.040 175.009 174.900 0.114 0.000 1.170 20 G CA 0.242 45.386 45.100 0.073 0.000 0.769 20 G HN 0.218 nan 8.290 nan 0.000 0.546 21 V N 0.943 120.883 119.914 0.043 0.000 2.318 21 V HA 0.600 4.834 4.120 0.190 0.000 0.271 21 V C 1.266 177.378 176.094 0.030 0.000 1.030 21 V CA 0.403 62.725 62.300 0.037 0.000 0.844 21 V CB 0.383 32.193 31.823 -0.022 0.000 1.015 21 V HN 0.535 nan 8.190 nan 0.000 0.460 22 G N 3.892 112.720 108.800 0.047 0.000 2.179 22 G HA2 0.027 4.101 3.960 0.190 0.000 0.260 22 G HA3 0.027 4.101 3.960 0.190 0.000 0.260 22 G C 0.187 175.086 174.900 -0.002 0.000 0.977 22 G CA 0.342 45.452 45.100 0.016 0.000 0.641 22 G HN 1.647 nan 8.290 nan 0.000 0.533 23 A N -1.416 121.413 122.820 0.015 0.000 2.609 23 A HA 0.853 5.288 4.320 0.190 0.000 0.291 23 A C -1.104 176.485 177.584 0.009 0.000 1.096 23 A CA -0.241 51.788 52.037 -0.013 0.000 0.684 23 A CB 1.435 20.429 19.000 -0.010 0.000 1.282 23 A HN 1.502 nan 8.150 nan 0.000 0.412 24 L N 1.078 122.282 121.223 -0.031 0.000 2.289 24 L HA 0.683 5.137 4.340 0.190 0.000 0.285 24 L C -0.774 176.094 176.870 -0.004 0.000 1.049 24 L CA -0.276 54.559 54.840 -0.008 0.000 0.804 24 L CB 1.572 43.586 42.059 -0.075 0.000 1.195 24 L HN 0.474 nan 8.230 nan 0.000 0.428 25 V N 5.469 125.381 119.914 -0.002 0.000 2.439 25 V HA 0.342 4.576 4.120 0.190 0.000 0.282 25 V C 0.247 176.318 176.094 -0.039 0.000 1.039 25 V CA -0.585 61.693 62.300 -0.037 0.000 0.913 25 V CB 1.173 32.948 31.823 -0.080 0.000 0.983 25 V HN 0.947 nan 8.190 nan 0.000 0.460 26 N N 3.410 122.093 118.700 -0.029 0.000 2.708 26 N HA -0.111 4.743 4.740 0.190 0.000 0.255 26 N C -2.402 173.104 175.510 -0.006 0.000 1.046 26 N CA 0.187 53.226 53.050 -0.018 0.000 0.715 26 N CB -0.430 38.038 38.487 -0.031 0.000 0.895 26 N HN 0.475 nan 8.380 nan 0.000 0.545 27 P HA 0.239 nan 4.420 nan 0.000 0.268 27 P C -0.365 176.943 177.300 0.014 0.000 1.205 27 P CA 0.208 63.311 63.100 0.005 0.000 0.771 27 P CB 1.506 33.205 31.700 -0.002 0.000 0.858 28 S N 1.930 117.643 115.700 0.022 0.000 2.552 28 S HA 0.389 4.973 4.470 0.190 0.000 0.272 28 S C -0.059 174.564 174.600 0.037 0.000 1.150 28 S CA -0.731 57.486 58.200 0.029 0.000 0.849 28 S CB 1.162 64.381 63.200 0.032 0.000 1.113 28 S HN 0.362 nan 8.310 nan 0.000 0.458 29 R N 0.873 121.396 120.500 0.038 0.000 2.509 29 R HA 0.273 4.727 4.340 0.190 0.000 0.300 29 R C 0.465 176.795 176.300 0.050 0.000 0.985 29 R CA -0.474 55.654 56.100 0.047 0.000 1.092 29 R CB 0.398 30.723 30.300 0.042 0.000 1.237 29 R HN 0.342 nan 8.270 nan 0.000 0.546 30 R N 2.444 122.972 120.500 0.046 0.000 2.404 30 R HA 0.085 4.540 4.340 0.190 0.000 0.315 30 R C -0.628 175.705 176.300 0.054 0.000 1.032 30 R CA 0.305 56.432 56.100 0.045 0.000 0.992 30 R CB 0.312 30.637 30.300 0.041 0.000 0.959 30 R HN 0.099 nan 8.270 nan 0.000 0.428 31 R N 1.970 122.504 120.500 0.056 0.000 2.500 31 R HA 0.547 5.001 4.340 0.190 0.000 0.275 31 R C 0.079 176.413 176.300 0.056 0.000 1.051 31 R CA 0.200 56.339 56.100 0.066 0.000 1.088 31 R CB 1.366 31.709 30.300 0.071 0.000 1.063 31 R HN 0.932 nan 8.270 nan 0.000 0.511 32 G N -0.287 108.550 108.800 0.063 0.000 2.392 32 G HA2 0.347 4.421 3.960 0.190 0.000 0.677 32 G HA3 0.347 4.421 3.960 0.190 0.000 0.677 32 G C -0.333 174.596 174.900 0.047 0.000 1.334 32 G CA -0.408 44.723 45.100 0.051 0.000 0.961 32 G HN 0.992 nan 8.290 nan 0.000 0.616 33 G N -1.723 107.098 108.800 0.035 0.000 2.756 33 G HA2 0.433 4.507 3.960 0.190 0.000 0.678 33 G HA3 0.433 4.507 3.960 0.190 0.000 0.678 33 G C -0.236 174.677 174.900 0.022 0.000 1.349 33 G CA 0.483 45.597 45.100 0.023 0.000 0.847 33 G HN 1.941 nan 8.290 nan 0.000 0.548 34 T N 0.824 115.382 114.554 0.007 0.000 2.770 34 T HA 0.508 4.972 4.350 0.190 0.000 0.283 34 T C 0.075 174.778 174.700 0.005 0.000 0.988 34 T CA -0.324 61.771 62.100 -0.010 0.000 0.957 34 T CB 1.506 70.353 68.868 -0.034 0.000 0.930 34 T HN 0.943 nan 8.240 nan 0.000 0.443 35 L N 4.891 126.107 121.223 -0.012 0.000 2.315 35 L HA 0.399 4.853 4.340 0.190 0.000 0.283 35 L C 0.142 177.022 176.870 0.016 0.000 1.089 35 L CA -0.001 54.842 54.840 0.006 0.000 0.833 35 L CB 0.034 42.067 42.059 -0.043 0.000 1.170 35 L HN 0.490 nan 8.230 nan 0.000 0.442 36 R N 6.288 126.838 120.500 0.083 0.000 2.204 36 R HA 0.496 4.950 4.340 0.190 0.000 0.341 36 R C -0.952 175.453 176.300 0.174 0.000 1.035 36 R CA -0.376 55.809 56.100 0.141 0.000 0.887 36 R CB 0.508 30.920 30.300 0.186 0.000 1.114 36 R HN 0.620 nan 8.270 nan 0.000 0.473 37 L N 2.287 123.570 121.223 0.099 0.000 2.352 37 L HA 0.704 5.158 4.340 0.190 0.000 0.269 37 L C -0.301 176.511 176.870 -0.095 0.000 1.034 37 L CA -1.146 53.703 54.840 0.014 0.000 0.806 37 L CB 1.802 43.845 42.059 -0.026 0.000 1.244 37 L HN 0.249 nan 8.230 nan 0.000 0.447 38 V N 0.470 120.236 119.914 -0.246 0.000 2.971 38 V HA 0.734 4.968 4.120 0.190 0.000 0.309 38 V C -1.051 174.797 176.094 -0.411 0.000 1.130 38 V CA -0.089 61.920 62.300 -0.484 0.000 0.964 38 V CB 2.485 33.718 31.823 -0.982 0.000 1.029 38 V HN 0.819 nan 8.190 nan 0.000 0.427 39 S N 1.953 117.402 115.700 -0.419 0.000 2.556 39 S HA 0.454 5.038 4.470 0.190 0.000 0.271 39 S C 0.701 175.089 174.600 -0.352 0.000 1.135 39 S CA 0.140 58.051 58.200 -0.483 0.000 0.858 39 S CB 2.027 64.831 63.200 -0.661 0.000 1.114 39 S HN 1.532 nan 8.310 nan 0.000 0.468 40 S N 2.158 117.657 115.700 -0.335 0.000 2.527 40 S HA 0.492 5.076 4.470 0.190 0.000 0.222 40 S C 0.587 175.103 174.600 -0.140 0.000 0.985 40 S CA 0.324 58.395 58.200 -0.214 0.000 0.921 40 S CB -0.121 62.962 63.200 -0.195 0.000 0.772 40 S HN 1.166 nan 8.310 nan 0.000 0.529 41 A N 0.711 123.442 122.820 -0.148 0.000 2.454 41 A HA 0.648 5.082 4.320 0.190 0.000 0.302 41 A C -0.893 176.809 177.584 0.197 0.000 1.079 41 A CA -0.670 51.391 52.037 0.040 0.000 0.731 41 A CB 1.115 20.172 19.000 0.095 0.000 1.299 41 A HN 0.208 nan 8.150 nan 0.000 0.413 42 D N 0.563 121.133 120.400 0.283 0.000 2.357 42 D HA 0.339 5.094 4.640 0.190 0.000 0.242 42 D C 0.777 177.410 176.300 0.555 0.000 1.153 42 D CA 0.208 54.431 54.000 0.372 0.000 0.918 42 D CB 1.316 42.280 40.800 0.273 0.000 1.181 42 D HN 0.713 nan 8.370 nan 0.000 0.435 43 V N 0.753 120.919 119.914 0.419 0.000 2.901 43 V HA 0.054 4.288 4.120 0.190 0.000 0.307 43 V C 1.181 177.256 176.094 -0.032 0.000 1.084 43 V CA -0.045 62.297 62.300 0.070 0.000 1.184 43 V CB 0.634 32.373 31.823 -0.140 0.000 0.941 43 V HN 0.608 nan 8.190 nan 0.000 0.493 44 D N 1.604 121.758 120.400 -0.410 0.000 2.183 44 D HA 0.046 4.801 4.640 0.190 0.000 0.203 44 D C 0.896 177.045 176.300 -0.251 0.000 0.969 44 D CA 1.300 55.013 54.000 -0.479 0.000 0.842 44 D CB 0.149 40.311 40.800 -1.063 0.000 0.957 44 D HN 0.781 nan 8.370 nan 0.000 0.484 45 S N -1.659 113.893 115.700 -0.247 0.000 2.543 45 S HA 0.407 4.991 4.470 0.190 0.000 0.274 45 S C -0.468 174.042 174.600 -0.150 0.000 1.149 45 S CA -0.791 57.325 58.200 -0.141 0.000 0.866 45 S CB 0.733 63.880 63.200 -0.088 0.000 1.111 45 S HN 0.089 nan 8.310 nan 0.000 0.457 46 L N 1.651 122.799 121.223 -0.125 0.000 2.640 46 L HA 0.344 4.799 4.340 0.190 0.000 0.230 46 L C 0.389 177.226 176.870 -0.055 0.000 1.123 46 L CA -0.001 54.766 54.840 -0.121 0.000 0.900 46 L CB 0.124 42.079 42.059 -0.173 0.000 1.146 46 L HN 0.584 nan 8.230 nan 0.000 0.484 47 D N 1.884 122.288 120.400 0.007 0.000 2.343 47 D HA 0.069 4.823 4.640 0.190 0.000 0.255 47 D C -1.453 174.913 176.300 0.110 0.000 1.187 47 D CA -1.898 52.181 54.000 0.132 0.000 0.875 47 D CB 1.705 42.614 40.800 0.183 0.000 1.136 47 D HN -0.061 nan 8.370 nan 0.000 0.469 48 P HA -0.107 nan 4.420 nan 0.000 0.221 48 P C 0.731 178.072 177.300 0.068 0.000 1.145 48 P CA 0.681 63.842 63.100 0.102 0.000 0.795 48 P CB 0.249 32.023 31.700 0.122 0.000 0.775 49 A N -0.177 122.687 122.820 0.074 0.000 2.178 49 A HA 0.051 4.485 4.320 0.190 0.000 0.211 49 A C 1.986 179.589 177.584 0.032 0.000 1.157 49 A CA 0.334 52.388 52.037 0.029 0.000 0.780 49 A CB -0.476 18.538 19.000 0.024 0.000 0.828 49 A HN 0.108 nan 8.150 nan 0.000 0.476 50 R N -0.739 119.791 120.500 0.050 0.000 2.509 50 R HA 0.129 4.584 4.340 0.190 0.000 0.300 50 R C -0.035 176.277 176.300 0.019 0.000 0.985 50 R CA 0.197 56.323 56.100 0.043 0.000 1.092 50 R CB 0.422 30.750 30.300 0.046 0.000 1.237 50 R HN 0.263 nan 8.270 nan 0.000 0.546 51 T N -1.049 113.525 114.554 0.034 0.000 2.829 51 T HA 0.233 4.697 4.350 0.190 0.000 0.282 51 T C -0.488 174.312 174.700 0.166 0.000 0.990 51 T CA -0.221 61.873 62.100 -0.010 0.000 1.028 51 T CB 0.961 69.795 68.868 -0.057 0.000 0.951 51 T HN 0.281 nan 8.240 nan 0.000 0.460 52 Y N 3.490 123.750 120.300 -0.066 0.000 2.719 52 Y HA 0.354 5.021 4.550 0.195 0.000 0.251 52 Y C -0.768 174.900 175.900 -0.386 0.000 1.159 52 Y CA -0.825 57.282 58.100 0.012 0.000 1.166 52 Y CB 0.580 39.114 38.460 0.124 0.000 1.219 52 Y HN 0.573 nan 8.280 nan 0.000 0.551 53 Y N 0.107 120.022 120.300 -0.642 0.000 2.326 53 Y HA 0.161 4.825 4.550 0.189 0.000 0.337 53 Y C 1.214 176.381 175.900 -1.220 0.000 1.023 53 Y CA -1.199 56.419 58.100 -0.803 0.000 1.143 53 Y CB 1.044 38.949 38.460 -0.925 0.000 1.183 53 Y HN -0.124 nan 8.280 nan 0.000 0.485 54 V N 3.853 123.330 119.914 -0.728 0.000 2.332 54 V HA -0.331 3.903 4.120 0.190 0.000 0.248 54 V C 2.153 178.235 176.094 -0.020 0.000 1.055 54 V CA 2.281 64.332 62.300 -0.415 0.000 1.038 54 V CB -0.554 31.269 31.823 0.001 0.000 0.651 54 V HN 0.958 nan 8.190 nan 0.000 0.450 55 W N -0.333 120.917 121.300 -0.083 0.000 2.519 55 W HA 0.013 4.788 4.660 0.191 0.000 0.266 55 W C 1.650 178.168 176.519 -0.002 0.000 1.253 55 W CA 1.035 58.354 57.345 -0.042 0.000 1.274 55 W CB -1.125 28.281 29.460 -0.090 0.000 1.114 55 W HN 0.202 nan 8.180 nan 0.000 0.596 56 V N 0.601 120.187 119.914 -0.546 0.000 2.488 56 V HA -0.207 4.027 4.120 0.190 0.000 0.246 56 V C 2.390 178.482 176.094 -0.003 0.000 1.046 56 V CA 1.571 63.623 62.300 -0.413 0.000 1.053 56 V CB -0.961 30.485 31.823 -0.630 0.000 0.679 56 V HN 0.093 nan 8.190 nan 0.000 0.458 57 W N -0.151 121.136 121.300 -0.021 0.000 2.338 57 W HA -0.148 4.626 4.660 0.191 0.000 0.304 57 W C 2.260 178.843 176.519 0.106 0.000 1.212 57 W CA 0.915 58.319 57.345 0.098 0.000 1.264 57 W CB -1.388 28.203 29.460 0.219 0.000 1.142 57 W HN 0.260 nan 8.180 nan 0.000 0.512 58 L N 0.166 121.534 121.223 0.242 0.000 2.017 58 L HA -0.164 4.290 4.340 0.190 0.000 0.208 58 L C 2.392 179.214 176.870 -0.081 0.000 1.073 58 L CA 1.593 56.326 54.840 -0.178 0.000 0.745 58 L CB -1.306 40.606 42.059 -0.246 0.000 0.894 58 L HN -0.068 nan 8.230 nan 0.000 0.432 59 L N -0.798 120.437 121.223 0.020 0.000 2.131 59 L HA -0.188 4.267 4.340 0.190 0.000 0.210 59 L C 2.384 179.264 176.870 0.017 0.000 1.092 59 L CA 1.590 56.442 54.840 0.019 0.000 0.759 59 L CB -0.740 41.357 42.059 0.064 0.000 0.903 59 L HN 0.363 nan 8.230 nan 0.000 0.435 60 Q N -0.209 119.624 119.800 0.055 0.000 2.291 60 Q HA -0.183 4.271 4.340 0.190 0.000 0.206 60 Q C 2.258 178.293 176.000 0.058 0.000 0.976 60 Q CA 1.082 56.926 55.803 0.069 0.000 0.875 60 Q CB -0.198 28.607 28.738 0.112 0.000 0.927 60 Q HN 0.569 nan 8.270 nan 0.000 0.450 61 R N -0.286 120.237 120.500 0.039 0.000 2.193 61 R HA -0.088 4.366 4.340 0.190 0.000 0.229 61 R C 1.864 178.176 176.300 0.020 0.000 1.110 61 R CA 0.624 56.742 56.100 0.030 0.000 0.988 61 R CB -0.022 30.272 30.300 -0.010 0.000 0.871 61 R HN 0.121 nan 8.270 nan 0.000 0.458 62 L N -0.587 120.640 121.223 0.007 0.000 2.307 62 L HA -0.008 4.446 4.340 0.190 0.000 0.211 62 L C 1.817 178.734 176.870 0.078 0.000 1.099 62 L CA 1.133 55.994 54.840 0.035 0.000 0.816 62 L CB 0.028 42.048 42.059 -0.065 0.000 0.952 62 L HN 0.098 nan 8.230 nan 0.000 0.455 63 L N -1.844 119.412 121.223 0.057 0.000 2.316 63 L HA 0.173 4.627 4.340 0.190 0.000 0.207 63 L C 0.133 177.050 176.870 0.078 0.000 1.070 63 L CA 0.334 55.216 54.840 0.070 0.000 0.820 63 L CB 0.154 42.248 42.059 0.058 0.000 0.992 63 L HN 0.204 nan 8.230 nan 0.000 0.466 64 N N -0.026 118.721 118.700 0.079 0.000 2.336 64 N HA 0.346 5.200 4.740 0.190 0.000 0.290 64 N C -1.009 174.555 175.510 0.090 0.000 1.058 64 N CA -0.507 52.606 53.050 0.105 0.000 0.865 64 N CB 2.347 40.905 38.487 0.118 0.000 1.581 64 N HN -0.017 nan 8.380 nan 0.000 0.480 65 R N 0.051 120.614 120.500 0.104 0.000 2.543 65 R HA 0.590 5.045 4.340 0.190 0.000 0.268 65 R C 0.367 176.697 176.300 0.051 0.000 1.067 65 R CA -0.340 55.814 56.100 0.089 0.000 1.142 65 R CB 0.810 31.182 30.300 0.119 0.000 1.110 65 R HN 0.619 nan 8.270 nan 0.000 0.549 66 T N -2.537 112.025 114.554 0.014 0.000 2.838 66 T HA 0.297 4.761 4.350 0.190 0.000 0.292 66 T C 1.164 175.825 174.700 -0.065 0.000 1.113 66 T CA -0.986 61.088 62.100 -0.043 0.000 1.008 66 T CB 0.879 69.690 68.868 -0.094 0.000 1.259 66 T HN 0.366 nan 8.240 nan 0.000 0.520 67 L N -0.578 120.565 121.223 -0.133 0.000 2.012 67 L HA 0.041 4.495 4.340 0.190 0.000 0.210 67 L C 0.900 177.711 176.870 -0.100 0.000 1.073 67 L CA 1.319 56.070 54.840 -0.148 0.000 0.748 67 L CB -0.283 41.543 42.059 -0.388 0.000 0.891 67 L HN 0.467 nan 8.230 nan 0.000 0.431 68 M N -1.286 118.212 119.600 -0.169 0.000 2.602 68 M HA 0.610 5.204 4.480 0.190 0.000 0.312 68 M C -0.634 175.542 176.300 -0.207 0.000 1.181 68 M CA -0.435 54.774 55.300 -0.152 0.000 0.910 68 M CB 1.769 34.255 32.600 -0.190 0.000 1.723 68 M HN -0.068 nan 8.290 nan 0.000 0.459 69 A N 1.260 123.961 122.820 -0.198 0.000 2.572 69 A HA 0.748 5.182 4.320 0.190 0.000 0.295 69 A C -1.846 175.610 177.584 -0.213 0.000 1.072 69 A CA -0.674 51.252 52.037 -0.185 0.000 0.691 69 A CB 1.001 19.996 19.000 -0.008 0.000 1.291 69 A HN 0.701 nan 8.150 nan 0.000 0.404 70 Y N 2.112 122.463 120.300 0.085 0.000 2.544 70 Y HA 0.284 4.950 4.550 0.194 0.000 0.330 70 Y C -1.569 174.491 175.900 0.267 0.000 1.136 70 Y CA -0.749 57.460 58.100 0.181 0.000 1.417 70 Y CB 0.140 38.730 38.460 0.217 0.000 1.229 70 Y HN 0.461 nan 8.280 nan 0.000 0.532 71 P HA 0.014 nan 4.420 nan 0.000 0.272 71 P C -0.498 177.027 177.300 0.375 0.000 1.240 71 P CA -0.439 62.827 63.100 0.277 0.000 0.791 71 P CB 0.656 32.457 31.700 0.168 0.000 0.978 72 T N 1.913 116.621 114.554 0.257 0.000 3.185 72 T HA 0.211 4.675 4.350 0.190 0.000 0.287 72 T C -0.272 174.426 174.700 -0.002 0.000 1.051 72 T CA 0.554 62.810 62.100 0.259 0.000 1.051 72 T CB -0.985 68.012 68.868 0.214 0.000 1.034 72 T HN 0.367 nan 8.240 nan 0.000 0.685 73 D N 3.006 123.340 120.400 -0.110 0.000 2.861 73 D HA 0.218 4.972 4.640 0.190 0.000 0.216 73 D C -2.136 173.939 176.300 -0.375 0.000 1.323 73 D CA -1.912 51.921 54.000 -0.279 0.000 0.917 73 D CB 2.484 43.231 40.800 -0.089 0.000 1.582 73 D HN 0.032 nan 8.370 nan 0.000 0.576 74 P HA 0.118 nan 4.420 nan 0.000 0.229 74 P C 0.778 178.027 177.300 -0.084 0.000 1.160 74 P CA 0.241 63.229 63.100 -0.188 0.000 0.777 74 P CB 0.532 32.119 31.700 -0.189 0.000 0.814 75 G N 1.023 109.760 108.800 -0.105 0.000 2.543 75 G HA2 0.263 4.337 3.960 0.190 0.000 0.290 75 G HA3 0.263 4.337 3.960 0.190 0.000 0.290 75 G C -1.657 173.221 174.900 -0.037 0.000 1.310 75 G CA -1.237 43.829 45.100 -0.057 0.000 1.025 75 G HN -0.100 nan 8.290 nan 0.000 0.502 76 P HA -0.107 nan 4.420 nan 0.000 0.218 76 P C 1.917 179.231 177.300 0.023 0.000 1.146 76 P CA 1.826 64.923 63.100 -0.004 0.000 0.813 76 P CB 0.126 31.822 31.700 -0.007 0.000 0.778 77 A N -0.155 122.676 122.820 0.019 0.000 2.070 77 A HA -0.056 4.378 4.320 0.190 0.000 0.220 77 A C 2.404 180.043 177.584 0.092 0.000 1.159 77 A CA 1.688 53.753 52.037 0.047 0.000 0.656 77 A CB -1.774 17.243 19.000 0.028 0.000 0.800 77 A HN 0.291 nan 8.150 nan 0.000 0.453 78 G N -0.219 108.619 108.800 0.063 0.000 2.501 78 G HA2 -0.112 3.962 3.960 0.190 0.000 0.220 78 G HA3 -0.112 3.962 3.960 0.190 0.000 0.220 78 G C 1.282 176.379 174.900 0.328 0.000 1.114 78 G CA 0.967 46.139 45.100 0.121 0.000 0.757 78 G HN 0.506 nan 8.290 nan 0.000 0.559 79 L N 0.264 121.623 121.223 0.226 0.000 2.558 79 L HA 0.189 4.643 4.340 0.190 0.000 0.225 79 L C 0.089 177.190 176.870 0.386 0.000 1.128 79 L CA -0.188 54.812 54.840 0.268 0.000 0.868 79 L CB 0.355 42.493 42.059 0.132 0.000 1.006 79 L HN -0.079 nan 8.230 nan 0.000 0.454 80 V N 0.956 121.033 119.914 0.273 0.000 2.328 80 V HA 0.297 4.531 4.120 0.190 0.000 0.278 80 V C -2.166 173.939 176.094 0.018 0.000 1.021 80 V CA -1.816 60.567 62.300 0.139 0.000 0.838 80 V CB 0.995 32.875 31.823 0.095 0.000 0.999 80 V HN -0.048 nan 8.190 nan 0.000 0.447 81 P HA 0.216 nan 4.420 nan 0.000 0.264 81 P C -0.421 176.780 177.300 -0.165 0.000 1.183 81 P CA 0.444 63.292 63.100 -0.420 0.000 0.763 81 P CB 0.610 31.924 31.700 -0.644 0.000 0.807 82 A N 5.156 127.909 122.820 -0.112 0.000 2.354 82 A HA 0.722 5.156 4.320 0.190 0.000 0.321 82 A C -2.620 174.959 177.584 -0.009 0.000 1.125 82 A CA -2.204 49.820 52.037 -0.021 0.000 0.799 82 A CB 0.342 19.357 19.000 0.024 0.000 1.293 82 A HN 0.308 nan 8.150 nan 0.000 0.452 83 P HA 0.114 nan 4.420 nan 0.000 0.264 83 P C -0.506 176.817 177.300 0.040 0.000 1.193 83 P CA 0.529 63.659 63.100 0.050 0.000 0.763 83 P CB 0.926 32.662 31.700 0.060 0.000 0.810 84 D N 2.218 122.640 120.400 0.035 0.000 3.040 84 D HA 0.082 4.837 4.640 0.190 0.000 0.221 84 D C 1.586 177.914 176.300 0.047 0.000 1.515 84 D CA 0.317 54.342 54.000 0.042 0.000 1.379 84 D CB -0.433 40.383 40.800 0.027 0.000 0.992 84 D HN 0.113 nan 8.370 nan 0.000 0.234 85 L N 0.973 122.218 121.223 0.037 0.000 2.156 85 L HA 0.264 4.719 4.340 0.190 0.000 0.208 85 L C 1.175 178.080 176.870 0.058 0.000 1.095 85 L CA 0.438 55.301 54.840 0.039 0.000 0.770 85 L CB -0.351 41.724 42.059 0.028 0.000 0.914 85 L HN 0.065 nan 8.230 nan 0.000 0.439 86 A N 0.571 123.439 122.820 0.080 0.000 2.351 86 A HA 0.089 4.523 4.320 0.190 0.000 0.257 86 A C 1.268 178.913 177.584 0.102 0.000 1.087 86 A CA -0.300 51.820 52.037 0.138 0.000 0.798 86 A CB 0.305 19.465 19.000 0.265 0.000 1.033 86 A HN 0.455 nan 8.150 nan 0.000 0.488 87 E N 1.598 121.854 120.200 0.093 0.000 2.285 87 E HA 0.235 4.700 4.350 0.190 0.000 0.194 87 E C 0.749 177.382 176.600 0.055 0.000 0.997 87 E CA 0.654 57.087 56.400 0.054 0.000 0.845 87 E CB 0.035 29.754 29.700 0.031 0.000 0.782 87 E HN 0.682 nan 8.360 nan 0.000 0.491 88 G N 0.991 109.839 108.800 0.080 0.000 2.708 88 G HA2 0.460 4.534 3.960 0.190 0.000 0.289 88 G HA3 0.460 4.534 3.960 0.190 0.000 0.289 88 G C -3.040 171.922 174.900 0.102 0.000 1.416 88 G CA -1.611 43.527 45.100 0.064 0.000 0.829 88 G HN -0.152 nan 8.290 nan 0.000 0.480 89 P HA 0.273 nan 4.420 nan 0.000 0.270 89 P C 0.759 178.072 177.300 0.023 0.000 1.223 89 P CA 0.072 63.236 63.100 0.108 0.000 0.785 89 P CB 0.477 32.218 31.700 0.069 0.000 0.923 90 G N 1.312 110.134 108.800 0.036 0.000 2.178 90 G HA2 -0.040 4.034 3.960 0.190 0.000 0.244 90 G HA3 -0.040 4.034 3.960 0.190 0.000 0.244 90 G C -0.379 174.332 174.900 -0.316 0.000 1.213 90 G CA -0.247 44.610 45.100 -0.405 0.000 0.912 90 G HN 0.456 nan 8.290 nan 0.000 0.474 91 E N 1.096 121.061 120.200 -0.392 0.000 2.152 91 E HA 0.261 4.725 4.350 0.190 0.000 0.285 91 E C -0.203 176.103 176.600 -0.490 0.000 1.043 91 E CA -0.468 55.732 56.400 -0.334 0.000 0.839 91 E CB 1.543 31.114 29.700 -0.215 0.000 1.069 91 E HN 0.215 nan 8.360 nan 0.000 0.399 92 V N 3.328 122.879 119.914 -0.605 0.000 2.439 92 V HA 0.313 4.547 4.120 0.190 0.000 0.282 92 V C 0.278 176.107 176.094 -0.441 0.000 1.039 92 V CA -0.327 61.486 62.300 -0.812 0.000 0.913 92 V CB 0.993 32.255 31.823 -0.935 0.000 0.983 92 V HN 0.777 nan 8.190 nan 0.000 0.460 93 S N 1.765 117.242 115.700 -0.371 0.000 2.720 93 S HA 0.602 5.186 4.470 0.190 0.000 0.287 93 S C -0.590 173.920 174.600 -0.150 0.000 1.168 93 S CA -0.677 57.399 58.200 -0.207 0.000 0.832 93 S CB 1.908 65.018 63.200 -0.151 0.000 1.166 93 S HN 0.682 nan 8.310 nan 0.000 0.493 94 D N 0.288 120.632 120.400 -0.093 0.000 2.723 94 D HA -0.107 4.648 4.640 0.190 0.000 0.236 94 D C 0.898 177.175 176.300 -0.039 0.000 1.138 94 D CA 1.761 55.728 54.000 -0.055 0.000 0.676 94 D CB -1.760 39.019 40.800 -0.035 0.000 1.069 94 D HN 1.832 nan 8.370 nan 0.000 0.430 95 G N -0.995 107.775 108.800 -0.051 0.000 2.295 95 G HA2 0.055 4.129 3.960 0.190 0.000 0.287 95 G HA3 0.055 4.129 3.960 0.190 0.000 0.287 95 G C 1.173 176.091 174.900 0.031 0.000 1.055 95 G CA 1.050 46.138 45.100 -0.020 0.000 0.922 95 G HN 1.599 nan 8.290 nan 0.000 0.503 96 G N -1.558 107.238 108.800 -0.006 0.000 2.157 96 G HA2 -0.283 3.791 3.960 0.190 0.000 0.248 96 G HA3 -0.283 3.791 3.960 0.190 0.000 0.248 96 G C 1.009 176.059 174.900 0.251 0.000 0.979 96 G CA 1.089 46.253 45.100 0.107 0.000 0.650 96 G HN 0.956 nan 8.290 nan 0.000 0.529 97 R N -0.363 120.210 120.500 0.121 0.000 2.223 97 R HA 0.197 4.651 4.340 0.190 0.000 0.198 97 R C 0.247 176.637 176.300 0.150 0.000 0.984 97 R CA 1.197 57.384 56.100 0.145 0.000 1.018 97 R CB 0.387 30.732 30.300 0.075 0.000 0.945 97 R HN 0.340 nan 8.270 nan 0.000 0.479 98 T N 0.080 114.667 114.554 0.054 0.000 2.812 98 T HA 0.319 4.783 4.350 0.190 0.000 0.282 98 T C -1.456 173.199 174.700 -0.075 0.000 0.990 98 T CA -0.457 61.670 62.100 0.045 0.000 0.960 98 T CB 1.258 70.116 68.868 -0.017 0.000 0.948 98 T HN 0.081 nan 8.240 nan 0.000 0.438 99 W N 2.025 123.283 121.300 -0.070 0.000 2.538 99 W HA 0.520 5.292 4.660 0.187 0.000 0.322 99 W C -0.134 176.417 176.519 0.053 0.000 1.028 99 W CA -0.525 56.789 57.345 -0.050 0.000 1.228 99 W CB 1.589 31.010 29.460 -0.064 0.000 1.356 99 W HN 0.428 nan 8.180 nan 0.000 0.452 100 T N 3.305 117.864 114.554 0.009 0.000 2.807 100 T HA 0.555 5.019 4.350 0.190 0.000 0.279 100 T C -1.293 173.310 174.700 -0.162 0.000 0.993 100 T CA -0.515 61.596 62.100 0.017 0.000 0.970 100 T CB 0.905 69.753 68.868 -0.034 0.000 0.950 100 T HN 0.082 nan 8.240 nan 0.000 0.441 101 Y N 1.140 121.560 120.300 0.201 0.000 2.499 101 Y HA 0.607 5.276 4.550 0.198 0.000 0.347 101 Y C 0.499 176.466 175.900 0.111 0.000 0.987 101 Y CA -1.298 56.908 58.100 0.176 0.000 1.044 101 Y CB 1.800 40.404 38.460 0.240 0.000 1.245 101 Y HN 0.343 nan 8.280 nan 0.000 0.461 102 R N 2.582 123.226 120.500 0.240 0.000 2.409 102 R HA 0.522 4.977 4.340 0.190 0.000 0.313 102 R C -1.662 174.730 176.300 0.155 0.000 0.953 102 R CA -0.906 55.288 56.100 0.157 0.000 0.849 102 R CB 1.405 31.759 30.300 0.091 0.000 1.171 102 R HN 0.438 nan 8.270 nan 0.000 0.458 103 L N 2.898 124.218 121.223 0.163 0.000 2.371 103 L HA 0.321 4.775 4.340 0.190 0.000 0.272 103 L C 0.812 177.741 176.870 0.097 0.000 1.124 103 L CA -0.101 54.829 54.840 0.150 0.000 0.816 103 L CB 0.520 42.691 42.059 0.186 0.000 1.129 103 L HN 0.327 nan 8.230 nan 0.000 0.448 104 R N 2.797 123.329 120.500 0.053 0.000 2.623 104 R HA 0.170 4.624 4.340 0.190 0.000 0.271 104 R C -0.287 175.988 176.300 -0.043 0.000 1.043 104 R CA -0.314 55.778 56.100 -0.014 0.000 1.083 104 R CB 0.310 30.602 30.300 -0.014 0.000 0.974 104 R HN 0.450 nan 8.270 nan 0.000 0.436 105 R N 0.935 121.329 120.500 -0.177 0.000 2.500 105 R HA 0.224 4.678 4.340 0.190 0.000 0.275 105 R C 0.857 177.108 176.300 -0.082 0.000 1.051 105 R CA 0.096 56.023 56.100 -0.288 0.000 1.088 105 R CB 0.924 30.964 30.300 -0.433 0.000 1.063 105 R HN 0.960 nan 8.270 nan 0.000 0.511 106 G N 0.932 109.738 108.800 0.012 0.000 2.153 106 G HA2 -0.263 3.811 3.960 0.190 0.000 0.252 106 G HA3 -0.263 3.811 3.960 0.190 0.000 0.252 106 G C 0.122 175.018 174.900 -0.007 0.000 0.994 106 G CA 0.128 45.234 45.100 0.010 0.000 0.698 106 G HN 0.399 nan 8.290 nan 0.000 0.521 107 L N -0.709 120.507 121.223 -0.011 0.000 2.418 107 L HA 0.686 5.141 4.340 0.190 0.000 0.265 107 L C 1.051 177.866 176.870 -0.091 0.000 1.143 107 L CA -0.440 54.367 54.840 -0.054 0.000 0.809 107 L CB 0.903 42.924 42.059 -0.063 0.000 1.124 107 L HN 0.167 nan 8.230 nan 0.000 0.456 108 R N 0.727 121.167 120.500 -0.099 0.000 2.725 108 R HA 0.457 4.911 4.340 0.190 0.000 0.277 108 R C -1.321 174.906 176.300 -0.123 0.000 0.987 108 R CA -0.831 55.204 56.100 -0.108 0.000 0.901 108 R CB 2.036 32.325 30.300 -0.019 0.000 1.207 108 R HN 0.306 nan 8.270 nan 0.000 0.463 109 Y N 0.939 121.262 120.300 0.039 0.000 2.260 109 Y HA -0.071 4.630 4.550 0.251 0.000 0.339 109 Y C 1.863 177.802 175.900 0.066 0.000 1.317 109 Y CA 0.053 58.193 58.100 0.066 0.000 1.514 109 Y CB 0.562 39.052 38.460 0.050 0.000 1.382 109 Y HN 0.728 nan 8.280 nan 0.000 0.581 110 D N -0.061 120.520 120.400 0.302 0.000 2.311 110 D HA -0.198 4.556 4.640 0.190 0.000 0.212 110 D C 0.643 177.074 176.300 0.218 0.000 0.972 110 D CA 1.447 55.602 54.000 0.258 0.000 0.887 110 D CB -0.376 40.541 40.800 0.194 0.000 0.915 110 D HN 0.766 nan 8.370 nan 0.000 0.497 111 D N -0.990 119.476 120.400 0.110 0.000 2.339 111 D HA 0.144 4.898 4.640 0.190 0.000 0.217 111 D C 1.684 177.889 176.300 -0.159 0.000 1.050 111 D CA 0.597 54.613 54.000 0.028 0.000 0.856 111 D CB -0.036 40.783 40.800 0.032 0.000 0.922 111 D HN 0.349 nan 8.370 nan 0.000 0.518 112 G N 0.356 108.865 108.800 -0.486 0.000 2.199 112 G HA2 -0.278 3.796 3.960 0.190 0.000 0.254 112 G HA3 -0.278 3.796 3.960 0.190 0.000 0.254 112 G C 0.530 175.271 174.900 -0.265 0.000 0.982 112 G CA 0.528 45.112 45.100 -0.860 0.000 0.632 112 G HN 0.788 nan 8.290 nan 0.000 0.529 113 T N -0.204 114.316 114.554 -0.056 0.000 2.904 113 T HA 0.616 5.081 4.350 0.190 0.000 0.290 113 T C -2.412 172.365 174.700 0.129 0.000 1.018 113 T CA -1.374 60.761 62.100 0.060 0.000 1.075 113 T CB 2.179 71.106 68.868 0.099 0.000 0.986 113 T HN 0.102 nan 8.240 nan 0.000 0.523 114 P HA 0.371 nan 4.420 nan 0.000 0.275 114 P C -0.501 176.836 177.300 0.062 0.000 1.227 114 P CA -0.547 62.581 63.100 0.047 0.000 0.781 114 P CB 0.314 32.038 31.700 0.039 0.000 0.906 115 I N 2.429 122.923 120.570 -0.127 0.000 2.352 115 I HA 0.271 4.555 4.170 0.190 0.000 0.290 115 I C 0.970 177.067 176.117 -0.033 0.000 1.036 115 I CA 0.081 61.276 61.300 -0.176 0.000 1.336 115 I CB 0.683 38.453 38.000 -0.384 0.000 1.407 115 I HN 0.378 nan 8.210 nan 0.000 0.497 116 T N 0.360 114.920 114.554 0.010 0.000 2.907 116 T HA 0.242 4.706 4.350 0.190 0.000 0.290 116 T C 1.007 175.692 174.700 -0.025 0.000 1.066 116 T CA -0.266 61.794 62.100 -0.067 0.000 1.012 116 T CB 1.702 70.510 68.868 -0.100 0.000 1.184 116 T HN 0.573 nan 8.240 nan 0.000 0.522 117 S N 0.036 115.697 115.700 -0.065 0.000 2.400 117 S HA -0.203 4.381 4.470 0.190 0.000 0.232 117 S C 1.511 176.100 174.600 -0.018 0.000 1.025 117 S CA 1.745 59.930 58.200 -0.025 0.000 0.993 117 S CB -1.007 62.168 63.200 -0.041 0.000 0.808 117 S HN 0.868 nan 8.310 nan 0.000 0.478 118 D N 1.900 122.283 120.400 -0.028 0.000 2.182 118 D HA -0.144 4.610 4.640 0.190 0.000 0.201 118 D C 1.219 177.545 176.300 0.043 0.000 0.986 118 D CA 1.571 55.564 54.000 -0.011 0.000 0.847 118 D CB -0.264 40.520 40.800 -0.028 0.000 0.942 118 D HN 0.406 nan 8.370 nan 0.000 0.467 119 D N -0.748 119.695 120.400 0.072 0.000 2.194 119 D HA -0.068 4.687 4.640 0.190 0.000 0.204 119 D C 2.212 178.599 176.300 0.146 0.000 0.964 119 D CA 0.368 54.449 54.000 0.136 0.000 0.846 119 D CB -0.087 40.847 40.800 0.223 0.000 0.962 119 D HN 0.201 nan 8.370 nan 0.000 0.490 120 V N 0.904 120.881 119.914 0.106 0.000 2.379 120 V HA -0.161 4.073 4.120 0.190 0.000 0.245 120 V C 2.548 178.708 176.094 0.109 0.000 1.044 120 V CA 1.322 63.684 62.300 0.104 0.000 1.036 120 V CB -0.417 31.464 31.823 0.097 0.000 0.664 120 V HN 0.079 nan 8.190 nan 0.000 0.453 121 R N -0.284 120.253 120.500 0.061 0.000 2.091 121 R HA -0.261 4.194 4.340 0.190 0.000 0.238 121 R C 2.415 178.740 176.300 0.043 0.000 1.136 121 R CA 2.287 58.401 56.100 0.023 0.000 0.959 121 R CB -0.476 29.790 30.300 -0.057 0.000 0.856 121 R HN 0.683 nan 8.270 nan 0.000 0.437 122 H N -0.030 119.028 119.070 -0.019 0.000 2.352 122 H HA -0.031 4.636 4.556 0.186 0.000 0.299 122 H C 1.754 177.070 175.328 -0.020 0.000 1.097 122 H CA 2.131 58.159 56.048 -0.033 0.000 1.311 122 H CB -0.242 29.493 29.762 -0.044 0.000 1.377 122 H HN 0.386 nan 8.280 nan 0.000 0.504 123 A N -0.133 122.677 122.820 -0.017 0.000 1.883 123 A HA -0.158 4.276 4.320 0.190 0.000 0.217 123 A C 2.706 180.264 177.584 -0.044 0.000 1.186 123 A CA 1.944 53.949 52.037 -0.054 0.000 0.624 123 A CB -1.020 17.994 19.000 0.024 0.000 0.822 123 A HN 0.336 nan 8.150 nan 0.000 0.444 124 V N -0.163 119.770 119.914 0.032 0.000 2.343 124 V HA -0.311 3.923 4.120 0.190 0.000 0.247 124 V C 2.628 178.827 176.094 0.174 0.000 1.051 124 V CA 2.228 64.595 62.300 0.112 0.000 1.036 124 V CB -0.931 31.028 31.823 0.226 0.000 0.654 124 V HN 0.639 nan 8.190 nan 0.000 0.451 125 Q N -0.386 119.436 119.800 0.037 0.000 2.084 125 Q HA -0.209 4.245 4.340 0.190 0.000 0.202 125 Q C 2.490 178.545 176.000 0.092 0.000 0.978 125 Q CA 1.537 57.370 55.803 0.051 0.000 0.844 125 Q CB -0.236 28.460 28.738 -0.071 0.000 0.898 125 Q HN 0.578 nan 8.270 nan 0.000 0.426 126 R N -0.106 120.293 120.500 -0.168 0.000 2.117 126 R HA -0.154 4.301 4.340 0.190 0.000 0.243 126 R C 2.263 178.571 176.300 0.013 0.000 1.143 126 R CA 1.427 57.412 56.100 -0.191 0.000 0.968 126 R CB -0.504 29.651 30.300 -0.242 0.000 0.863 126 R HN 0.120 nan 8.270 nan 0.000 0.444 127 V N 0.484 120.445 119.914 0.077 0.000 2.453 127 V HA -0.247 3.987 4.120 0.190 0.000 0.252 127 V C 1.770 177.887 176.094 0.038 0.000 1.068 127 V CA 1.695 64.020 62.300 0.041 0.000 1.070 127 V CB -0.555 31.260 31.823 -0.014 0.000 0.664 127 V HN 0.191 nan 8.190 nan 0.000 0.461 128 F N 0.577 120.538 119.950 0.018 0.000 2.365 128 F HA 0.142 4.781 4.527 0.187 0.000 0.300 128 F C 1.859 177.647 175.800 -0.020 0.000 1.090 128 F CA 0.669 58.691 58.000 0.036 0.000 1.408 128 F CB -0.430 38.658 39.000 0.147 0.000 1.060 128 F HN 0.089 nan 8.300 nan 0.000 0.534 129 A N 0.502 123.400 122.820 0.130 0.000 3.091 129 A HA 0.120 4.554 4.320 0.190 0.000 0.264 129 A C 1.443 179.090 177.584 0.104 0.000 1.673 129 A CA -0.230 51.868 52.037 0.101 0.000 1.362 129 A CB -0.433 18.649 19.000 0.137 0.000 1.137 129 A HN 0.152 nan 8.150 nan 0.000 0.617 130 Q N 0.880 120.720 119.800 0.067 0.000 2.364 130 Q HA -0.149 4.305 4.340 0.190 0.000 0.207 130 Q C 1.053 177.086 176.000 0.055 0.000 0.970 130 Q CA 1.463 57.296 55.803 0.050 0.000 0.888 130 Q CB 0.008 28.759 28.738 0.022 0.000 0.951 130 Q HN 0.975 nan 8.270 nan 0.000 0.469 131 D N -0.884 119.553 120.400 0.061 0.000 2.269 131 D HA -0.079 4.675 4.640 0.190 0.000 0.208 131 D C 1.616 177.949 176.300 0.056 0.000 0.963 131 D CA 0.571 54.602 54.000 0.053 0.000 0.864 131 D CB -0.092 40.736 40.800 0.047 0.000 0.936 131 D HN 0.082 nan 8.370 nan 0.000 0.505 132 V N -0.216 119.748 119.914 0.084 0.000 3.048 132 V HA 0.141 4.375 4.120 0.190 0.000 0.241 132 V C 1.533 177.674 176.094 0.078 0.000 1.129 132 V CA 0.287 62.627 62.300 0.068 0.000 1.128 132 V CB 0.368 32.233 31.823 0.070 0.000 0.849 132 V HN 0.097 nan 8.190 nan 0.000 0.475 133 L N 2.599 123.886 121.223 0.106 0.000 3.096 133 L HA 0.346 4.801 4.340 0.190 0.000 0.272 133 L C -2.396 174.519 176.870 0.075 0.000 1.311 133 L CA -1.157 53.741 54.840 0.097 0.000 0.943 133 L CB 0.477 42.610 42.059 0.124 0.000 1.348 133 L HN 0.230 nan 8.230 nan 0.000 0.562 134 P HA 0.253 nan 4.420 nan 0.000 0.274 134 P C 0.761 178.107 177.300 0.077 0.000 1.237 134 P CA 0.533 63.673 63.100 0.068 0.000 0.793 134 P CB 1.818 33.554 31.700 0.061 0.000 0.977 135 G N -0.356 108.510 108.800 0.110 0.000 2.421 135 G HA2 -0.031 4.043 3.960 0.190 0.000 0.188 135 G HA3 -0.031 4.043 3.960 0.190 0.000 0.188 135 G C 0.294 175.335 174.900 0.234 0.000 1.001 135 G CA -0.023 45.162 45.100 0.142 0.000 0.693 135 G HN 0.895 nan 8.290 nan 0.000 0.479 136 G N -0.060 108.833 108.800 0.156 0.000 2.667 136 G HA2 0.746 4.820 3.960 0.190 0.000 0.310 136 G HA3 0.746 4.820 3.960 0.190 0.000 0.310 136 G C -2.853 172.030 174.900 -0.029 0.000 1.259 136 G CA -1.287 43.828 45.100 0.024 0.000 1.019 136 G HN 0.124 nan 8.290 nan 0.000 0.496 137 P HA 0.193 nan 4.420 nan 0.000 0.269 137 P C 0.450 177.714 177.300 -0.059 0.000 1.209 137 P CA 0.085 63.107 63.100 -0.131 0.000 0.776 137 P CB 0.912 32.537 31.700 -0.125 0.000 0.876 138 T N -2.961 111.524 114.554 -0.114 0.000 3.288 138 T HA 0.181 4.645 4.350 0.190 0.000 0.293 138 T C 0.852 175.434 174.700 -0.196 0.000 1.008 138 T CA -0.088 61.914 62.100 -0.163 0.000 0.929 138 T CB -1.028 67.750 68.868 -0.149 0.000 1.152 138 T HN 0.112 nan 8.240 nan 0.000 0.517 139 Y N 1.522 121.790 120.300 -0.053 0.000 2.241 139 Y HA -0.035 4.629 4.550 0.189 0.000 0.286 139 Y C 2.144 177.927 175.900 -0.196 0.000 1.166 139 Y CA 1.122 59.175 58.100 -0.078 0.000 1.203 139 Y CB -0.579 37.845 38.460 -0.060 0.000 0.977 139 Y HN 0.267 nan 8.280 nan 0.000 0.529 140 L N -0.798 120.380 121.223 -0.076 0.000 2.201 140 L HA -0.196 4.258 4.340 0.190 0.000 0.212 140 L C 2.098 178.900 176.870 -0.114 0.000 1.105 140 L CA 0.812 55.593 54.840 -0.098 0.000 0.775 140 L CB -0.453 41.562 42.059 -0.072 0.000 0.913 140 L HN 0.293 nan 8.230 nan 0.000 0.440 141 I N 0.458 120.839 120.570 -0.314 0.000 2.113 141 I HA -0.192 4.092 4.170 0.190 0.000 0.238 141 I C -0.212 175.837 176.117 -0.114 0.000 1.070 141 I CA 1.413 62.397 61.300 -0.528 0.000 1.332 141 I CB -1.623 35.984 38.000 -0.655 0.000 1.044 141 I HN 0.217 nan 8.210 nan 0.000 0.402 142 P HA -0.130 nan 4.420 nan 0.000 0.220 142 P C 1.874 179.198 177.300 0.040 0.000 1.148 142 P CA 1.480 64.589 63.100 0.016 0.000 0.803 142 P CB -0.059 31.654 31.700 0.022 0.000 0.782 143 L N -1.646 119.580 121.223 0.005 0.000 2.291 143 L HA -0.001 4.453 4.340 0.190 0.000 0.214 143 L C 2.275 179.190 176.870 0.076 0.000 1.120 143 L CA 0.955 55.794 54.840 -0.002 0.000 0.799 143 L CB -0.362 41.630 42.059 -0.111 0.000 0.925 143 L HN -0.064 nan 8.230 nan 0.000 0.446 144 L N -2.297 119.028 121.223 0.170 0.000 2.878 144 L HA 0.216 4.670 4.340 0.190 0.000 0.253 144 L C 0.097 177.106 176.870 0.232 0.000 1.135 144 L CA -0.266 54.709 54.840 0.225 0.000 0.943 144 L CB 0.451 42.707 42.059 0.329 0.000 1.307 144 L HN -0.025 nan 8.230 nan 0.000 0.545 145 D N 1.035 121.622 120.400 0.313 0.000 2.304 145 D HA 0.066 4.820 4.640 0.190 0.000 0.250 145 D C -0.569 175.824 176.300 0.156 0.000 1.107 145 D CA -0.052 54.130 54.000 0.303 0.000 0.885 145 D CB 1.041 42.081 40.800 0.401 0.000 1.192 145 D HN -0.110 nan 8.370 nan 0.000 0.436 146 D N 3.702 124.171 120.400 0.115 0.000 2.347 146 D HA 0.195 4.950 4.640 0.190 0.000 0.235 146 D C -1.870 174.481 176.300 0.084 0.000 1.149 146 D CA -2.149 51.898 54.000 0.078 0.000 0.850 146 D CB 1.603 42.433 40.800 0.049 0.000 1.061 146 D HN 0.112 nan 8.370 nan 0.000 0.487 147 P HA -0.090 nan 4.420 nan 0.000 0.219 147 P C 0.540 177.872 177.300 0.053 0.000 1.146 147 P CA 1.000 64.139 63.100 0.066 0.000 0.808 147 P CB 0.329 32.063 31.700 0.056 0.000 0.779 148 E N -1.324 118.903 120.200 0.046 0.000 2.435 148 E HA 0.017 4.481 4.350 0.190 0.000 0.195 148 E C 1.050 177.672 176.600 0.037 0.000 1.029 148 E CA 0.244 56.666 56.400 0.036 0.000 0.865 148 E CB 0.096 29.814 29.700 0.029 0.000 0.833 148 E HN 0.079 nan 8.360 nan 0.000 0.510 149 R N 1.174 121.702 120.500 0.047 0.000 2.837 149 R HA 0.186 4.640 4.340 0.190 0.000 0.245 149 R C -2.879 173.465 176.300 0.072 0.000 1.712 149 R CA -1.651 54.478 56.100 0.048 0.000 1.539 149 R CB 0.778 31.100 30.300 0.037 0.000 1.490 149 R HN -0.093 nan 8.270 nan 0.000 0.667 150 P HA -0.099 nan 4.420 nan 0.000 0.265 150 P C -1.331 176.049 177.300 0.134 0.000 1.193 150 P CA 0.089 63.259 63.100 0.117 0.000 0.765 150 P CB 0.259 32.014 31.700 0.091 0.000 0.823 151 Y N 6.395 126.707 120.300 0.021 0.000 2.350 151 Y HA 0.301 4.965 4.550 0.190 0.000 0.340 151 Y C -1.528 174.379 175.900 0.011 0.000 1.006 151 Y CA -2.361 55.691 58.100 -0.079 0.000 1.166 151 Y CB 0.889 39.143 38.460 -0.344 0.000 1.168 151 Y HN 0.360 nan 8.280 nan 0.000 0.502 152 P HA 0.253 nan 4.420 nan 0.000 0.257 152 P C 0.079 177.086 177.300 -0.488 0.000 1.325 152 P CA 0.823 63.716 63.100 -0.346 0.000 0.850 152 P CB 0.063 31.632 31.700 -0.218 0.000 1.324 153 G N 2.303 110.455 108.800 -1.081 0.000 2.746 153 G HA2 -0.139 3.935 3.960 0.190 0.000 0.685 153 G HA3 -0.139 3.935 3.960 0.190 0.000 0.685 153 G C -2.361 172.159 174.900 -0.634 0.000 1.350 153 G CA -0.324 44.361 45.100 -0.691 0.000 0.837 153 G HN -0.035 nan 8.290 nan 0.000 0.564 154 P HA 0.071 nan 4.420 nan 0.000 0.245 154 P C 0.790 177.920 177.300 -0.283 0.000 1.212 154 P CA 1.103 64.018 63.100 -0.307 0.000 0.774 154 P CB 0.007 31.509 31.700 -0.329 0.000 0.999 155 Y N 0.030 120.316 120.300 -0.023 0.000 2.476 155 Y HA 0.228 4.891 4.550 0.189 0.000 0.283 155 Y C 2.516 178.397 175.900 -0.033 0.000 1.109 155 Y CA 0.250 58.344 58.100 -0.009 0.000 1.246 155 Y CB -0.579 37.878 38.460 -0.006 0.000 1.068 155 Y HN -0.137 nan 8.280 nan 0.000 0.552 156 R N -0.887 119.630 120.500 0.027 0.000 2.254 156 R HA 0.151 4.605 4.340 0.190 0.000 0.195 156 R C 0.274 176.548 176.300 -0.044 0.000 0.957 156 R CA 0.741 56.832 56.100 -0.014 0.000 1.024 156 R CB 0.465 30.734 30.300 -0.052 0.000 0.952 156 R HN 0.023 nan 8.270 nan 0.000 0.484 157 T N 0.141 114.651 114.554 -0.072 0.000 2.923 157 T HA 0.092 4.556 4.350 0.190 0.000 0.311 157 T C -1.064 173.640 174.700 0.006 0.000 1.183 157 T CA -0.835 61.246 62.100 -0.031 0.000 1.020 157 T CB 1.750 70.596 68.868 -0.037 0.000 1.165 157 T HN 0.167 nan 8.240 nan 0.000 0.482 158 D N 1.646 122.062 120.400 0.027 0.000 2.349 158 D HA 0.114 4.868 4.640 0.190 0.000 0.214 158 D C 0.504 176.830 176.300 0.043 0.000 1.063 158 D CA -0.132 53.891 54.000 0.038 0.000 0.847 158 D CB 0.133 40.949 40.800 0.026 0.000 0.933 158 D HN 0.613 nan 8.370 nan 0.000 0.513 159 E N 1.504 121.736 120.200 0.053 0.000 2.299 159 E HA 0.166 4.630 4.350 0.190 0.000 0.272 159 E C -2.137 174.504 176.600 0.068 0.000 1.043 159 E CA -1.985 54.443 56.400 0.046 0.000 0.895 159 E CB 0.702 30.427 29.700 0.042 0.000 1.011 159 E HN -0.008 nan 8.360 nan 0.000 0.432 160 P HA -0.070 nan 4.420 nan 0.000 0.270 160 P C -0.633 176.510 177.300 -0.261 0.000 1.223 160 P CA -0.435 62.604 63.100 -0.103 0.000 0.785 160 P CB 0.373 32.009 31.700 -0.106 0.000 0.923 161 L N 3.122 123.982 121.223 -0.605 0.000 2.559 161 L HA -0.039 4.415 4.340 0.190 0.000 0.274 161 L C 1.424 178.062 176.870 -0.388 0.000 1.205 161 L CA 0.778 55.121 54.840 -0.829 0.000 0.907 161 L CB -0.238 41.196 42.059 -1.042 0.000 1.153 161 L HN 0.314 nan 8.230 nan 0.000 0.490 162 R N 1.807 122.142 120.500 -0.274 0.000 2.235 162 R HA -0.046 4.408 4.340 0.190 0.000 0.213 162 R C 1.503 177.729 176.300 -0.123 0.000 1.059 162 R CA 1.066 57.075 56.100 -0.151 0.000 0.997 162 R CB -0.051 30.194 30.300 -0.092 0.000 0.884 162 R HN 0.906 nan 8.270 nan 0.000 0.462 163 S N -0.648 114.972 115.700 -0.134 0.000 2.593 163 S HA 0.097 4.681 4.470 0.190 0.000 0.217 163 S C 0.613 175.167 174.600 -0.077 0.000 0.966 163 S CA -0.330 57.829 58.200 -0.068 0.000 0.914 163 S CB 0.443 63.633 63.200 -0.017 0.000 0.776 163 S HN -0.115 nan 8.310 nan 0.000 0.523 164 V N 2.725 122.546 119.914 -0.156 0.000 2.376 164 V HA 0.473 4.707 4.120 0.190 0.000 0.287 164 V C -0.491 175.466 176.094 -0.229 0.000 1.015 164 V CA -0.718 61.438 62.300 -0.240 0.000 0.834 164 V CB 1.315 32.981 31.823 -0.261 0.000 1.001 164 V HN 0.381 nan 8.190 nan 0.000 0.428 165 L N 4.248 125.335 121.223 -0.227 0.000 2.331 165 L HA 0.733 5.187 4.340 0.190 0.000 0.275 165 L C 0.362 177.133 176.870 -0.165 0.000 1.022 165 L CA -0.410 54.334 54.840 -0.160 0.000 0.812 165 L CB 2.187 44.179 42.059 -0.111 0.000 1.257 165 L HN 0.747 nan 8.230 nan 0.000 0.435 166 T N -2.416 112.067 114.554 -0.118 0.000 3.327 166 T HA 0.285 4.749 4.350 0.190 0.000 0.373 166 T C -1.797 172.864 174.700 -0.065 0.000 1.589 166 T CA -1.334 60.709 62.100 -0.094 0.000 1.497 166 T CB 0.711 69.524 68.868 -0.091 0.000 1.032 166 T HN 0.373 nan 8.240 nan 0.000 0.640 167 P HA -0.013 nan 4.420 nan 0.000 0.219 167 P C 0.053 177.337 177.300 -0.026 0.000 1.146 167 P CA 1.246 64.325 63.100 -0.035 0.000 0.808 167 P CB 0.108 31.792 31.700 -0.026 0.000 0.779 168 D N -2.628 117.758 120.400 -0.024 0.000 2.752 168 D HA 0.119 4.874 4.640 0.190 0.000 0.313 168 D C 0.530 176.788 176.300 -0.071 0.000 1.225 168 D CA -0.838 53.145 54.000 -0.028 0.000 0.976 168 D CB 0.115 40.922 40.800 0.011 0.000 1.443 168 D HN -0.233 nan 8.370 nan 0.000 0.515 169 E N -1.484 118.631 120.200 -0.142 0.000 2.409 169 E HA -0.102 4.362 4.350 0.190 0.000 0.198 169 E C 0.234 176.529 176.600 -0.508 0.000 1.024 169 E CA 0.708 56.912 56.400 -0.326 0.000 0.861 169 E CB -0.057 29.392 29.700 -0.419 0.000 0.788 169 E HN 0.362 nan 8.360 nan 0.000 0.521 170 H N -0.828 118.246 119.070 0.007 0.000 2.767 170 H HA 0.246 4.910 4.556 0.179 0.000 0.260 170 H C -0.362 174.983 175.328 0.029 0.000 1.172 170 H CA 0.106 56.164 56.048 0.016 0.000 1.048 170 H CB 0.898 30.667 29.762 0.011 0.000 1.697 170 H HN -0.096 nan 8.280 nan 0.000 0.606 171 T N 1.546 116.146 114.554 0.078 0.000 2.916 171 T HA 0.496 4.961 4.350 0.190 0.000 0.298 171 T C -0.438 174.276 174.700 0.023 0.000 1.031 171 T CA -0.472 61.670 62.100 0.069 0.000 0.993 171 T CB 2.369 71.265 68.868 0.046 0.000 1.045 171 T HN 0.144 nan 8.240 nan 0.000 0.454 172 I N 2.591 123.192 120.570 0.051 0.000 2.569 172 I HA 0.687 4.972 4.170 0.190 0.000 0.290 172 I C -1.568 174.520 176.117 -0.048 0.000 1.088 172 I CA -0.911 60.354 61.300 -0.060 0.000 1.047 172 I CB 1.441 39.385 38.000 -0.095 0.000 1.237 172 I HN 0.396 nan 8.210 nan 0.000 0.421 173 V N 7.535 127.323 119.914 -0.209 0.000 2.444 173 V HA 0.442 4.676 4.120 0.190 0.000 0.294 173 V C -0.878 175.063 176.094 -0.256 0.000 1.022 173 V CA -0.444 61.791 62.300 -0.108 0.000 0.850 173 V CB 1.520 33.309 31.823 -0.058 0.000 0.992 173 V HN 0.441 nan 8.190 nan 0.000 0.426 174 F N 3.871 123.888 119.950 0.112 0.000 2.385 174 F HA 0.563 5.199 4.527 0.182 0.000 0.360 174 F C 0.864 176.646 175.800 -0.030 0.000 1.122 174 F CA -0.566 57.449 58.000 0.025 0.000 1.090 174 F CB 1.246 40.220 39.000 -0.043 0.000 1.150 174 F HN 0.270 nan 8.300 nan 0.000 0.472 175 R N 5.011 125.573 120.500 0.104 0.000 2.280 175 R HA 0.439 4.893 4.340 0.190 0.000 0.326 175 R C -0.729 175.602 176.300 0.052 0.000 1.080 175 R CA -0.471 55.663 56.100 0.058 0.000 1.002 175 R CB 0.658 30.969 30.300 0.019 0.000 1.136 175 R HN 0.609 nan 8.270 nan 0.000 0.509 176 L N 1.359 122.607 121.223 0.041 0.000 2.453 176 L HA 0.173 4.627 4.340 0.190 0.000 0.261 176 L C 1.865 178.765 176.870 0.050 0.000 1.179 176 L CA -0.313 54.540 54.840 0.023 0.000 0.813 176 L CB 1.008 43.057 42.059 -0.016 0.000 1.110 176 L HN 0.631 nan 8.230 nan 0.000 0.466 177 T N -1.692 112.894 114.554 0.054 0.000 3.085 177 T HA 0.027 4.491 4.350 0.190 0.000 0.263 177 T C 0.552 175.296 174.700 0.073 0.000 1.127 177 T CA 0.164 62.301 62.100 0.061 0.000 1.103 177 T CB -0.152 68.755 68.868 0.066 0.000 0.921 177 T HN 0.762 nan 8.240 nan 0.000 0.510 178 R N -0.679 119.877 120.500 0.092 0.000 2.690 178 R HA 0.517 4.971 4.340 0.190 0.000 0.269 178 R C -3.717 172.686 176.300 0.170 0.000 1.037 178 R CA -2.184 53.989 56.100 0.122 0.000 0.877 178 R CB -0.114 30.267 30.300 0.135 0.000 1.255 178 R HN -0.122 nan 8.270 nan 0.000 0.467 179 P HA 0.098 nan 4.420 nan 0.000 0.268 179 P C -1.368 176.123 177.300 0.319 0.000 1.204 179 P CA 0.103 63.351 63.100 0.247 0.000 0.768 179 P CB 0.138 31.983 31.700 0.240 0.000 0.842 180 F N 2.227 122.284 119.950 0.180 0.000 2.902 180 F HA 0.177 4.817 4.527 0.188 0.000 0.368 180 F C 1.222 177.151 175.800 0.216 0.000 1.202 180 F CA -0.289 57.766 58.000 0.092 0.000 1.109 180 F CB 0.738 39.726 39.000 -0.019 0.000 1.418 180 F HN 0.267 nan 8.300 nan 0.000 0.527 181 S N 0.917 116.535 115.700 -0.136 0.000 2.419 181 S HA -0.161 4.423 4.470 0.190 0.000 0.235 181 S C 0.746 175.378 174.600 0.053 0.000 1.019 181 S CA 1.550 59.798 58.200 0.079 0.000 0.982 181 S CB -0.156 63.055 63.200 0.018 0.000 0.789 181 S HN 0.583 nan 8.310 nan 0.000 0.490 182 D N 0.115 120.258 120.400 -0.428 0.000 2.427 182 D HA 0.306 5.060 4.640 0.190 0.000 0.224 182 D C 0.569 176.814 176.300 -0.091 0.000 1.157 182 D CA -0.278 53.604 54.000 -0.196 0.000 0.828 182 D CB -0.352 40.255 40.800 -0.322 0.000 0.974 182 D HN 0.347 nan 8.370 nan 0.000 0.498 183 F N 1.561 121.219 119.950 -0.486 0.000 2.216 183 F HA -0.165 4.477 4.527 0.192 0.000 0.300 183 F C 1.659 177.087 175.800 -0.620 0.000 1.085 183 F CA 1.219 58.739 58.000 -0.799 0.000 1.326 183 F CB 0.301 38.169 39.000 -1.886 0.000 1.027 183 F HN -0.133 nan 8.300 nan 0.000 0.497 184 D N -0.920 119.263 120.400 -0.360 0.000 2.182 184 D HA -0.202 4.552 4.640 0.190 0.000 0.201 184 D C 2.227 178.261 176.300 -0.443 0.000 0.986 184 D CA 1.284 55.164 54.000 -0.200 0.000 0.847 184 D CB -0.440 40.348 40.800 -0.020 0.000 0.942 184 D HN 0.445 nan 8.370 nan 0.000 0.467 185 H N -0.014 118.817 119.070 -0.398 0.000 2.357 185 H HA -0.003 4.669 4.556 0.194 0.000 0.301 185 H C 2.366 177.318 175.328 -0.627 0.000 1.082 185 H CA 0.633 56.421 56.048 -0.433 0.000 1.342 185 H CB -0.030 29.507 29.762 -0.375 0.000 1.389 185 H HN 0.200 nan 8.280 nan 0.000 0.511 186 L N 0.136 120.922 121.223 -0.727 0.000 2.131 186 L HA -0.152 4.302 4.340 0.190 0.000 0.210 186 L C 2.198 178.608 176.870 -0.767 0.000 1.092 186 L CA 0.634 54.971 54.840 -0.839 0.000 0.759 186 L CB -0.265 41.157 42.059 -1.060 0.000 0.903 186 L HN 0.216 nan 8.230 nan 0.000 0.435 187 M N -0.604 118.502 119.600 -0.823 0.000 2.659 187 M HA 0.021 4.615 4.480 0.190 0.000 0.243 187 M C 1.911 177.934 176.300 -0.461 0.000 1.111 187 M CA 0.660 55.557 55.300 -0.672 0.000 1.070 187 M CB -0.869 31.285 32.600 -0.742 0.000 1.525 187 M HN 0.204 nan 8.290 nan 0.000 0.517 188 A N -0.651 121.902 122.820 -0.444 0.000 2.308 188 A HA 0.124 4.559 4.320 0.190 0.000 0.217 188 A C 0.775 178.215 177.584 -0.239 0.000 1.216 188 A CA -0.007 51.812 52.037 -0.363 0.000 0.864 188 A CB 0.142 18.780 19.000 -0.603 0.000 0.902 188 A HN 0.288 nan 8.150 nan 0.000 0.499 189 Q N 0.109 119.725 119.800 -0.307 0.000 2.230 189 Q HA 0.258 4.712 4.340 0.190 0.000 0.248 189 Q C -1.955 173.889 176.000 -0.259 0.000 0.915 189 Q CA -2.572 53.026 55.803 -0.341 0.000 0.900 189 Q CB 0.844 29.307 28.738 -0.459 0.000 1.229 189 Q HN 0.136 nan 8.270 nan 0.000 0.439 190 P HA -0.125 nan 4.420 nan 0.000 0.221 190 P C 1.040 178.291 177.300 -0.082 0.000 1.145 190 P CA 1.034 64.078 63.100 -0.094 0.000 0.795 190 P CB -0.061 31.631 31.700 -0.013 0.000 0.775 191 C N -1.862 117.351 119.300 -0.144 0.000 2.449 191 C HA 0.386 4.960 4.460 0.190 0.000 0.283 191 C C 2.385 177.316 174.990 -0.097 0.000 1.453 191 C CA 0.282 59.238 59.018 -0.102 0.000 1.779 191 C CB -1.957 25.707 27.740 -0.126 0.000 1.779 191 C HN 0.211 nan 8.230 nan 0.000 0.546 192 A N 0.125 122.864 122.820 -0.134 0.000 2.390 192 A HA 0.707 5.141 4.320 0.190 0.000 0.232 192 A C 1.247 178.792 177.584 -0.066 0.000 1.233 192 A CA 0.547 52.509 52.037 -0.125 0.000 0.907 192 A CB -0.581 18.270 19.000 -0.248 0.000 0.967 192 A HN 0.828 nan 8.150 nan 0.000 0.512 193 A N 2.113 124.915 122.820 -0.029 0.000 2.477 193 A HA 0.522 4.956 4.320 0.190 0.000 0.246 193 A C -2.280 175.360 177.584 0.093 0.000 1.078 193 A CA -1.096 50.962 52.037 0.036 0.000 0.770 193 A CB -0.319 18.720 19.000 0.065 0.000 1.011 193 A HN 0.279 nan 8.150 nan 0.000 0.494 194 P HA 0.193 nan 4.420 nan 0.000 0.266 194 P C -0.763 176.688 177.300 0.251 0.000 1.195 194 P CA 0.165 63.385 63.100 0.200 0.000 0.768 194 P CB 0.708 32.552 31.700 0.241 0.000 0.838 195 V N 5.586 125.605 119.914 0.174 0.000 2.482 195 V HA 0.301 4.535 4.120 0.190 0.000 0.295 195 V C -2.209 173.914 176.094 0.050 0.000 1.026 195 V CA -2.012 60.331 62.300 0.072 0.000 0.856 195 V CB 2.070 33.864 31.823 -0.048 0.000 1.001 195 V HN 0.517 nan 8.190 nan 0.000 0.424 196 P HA 0.255 nan 4.420 nan 0.000 0.282 196 P C 0.496 177.644 177.300 -0.253 0.000 1.262 196 P CA -0.326 62.680 63.100 -0.157 0.000 0.773 196 P CB 1.235 32.783 31.700 -0.253 0.000 0.879 197 R N 4.496 124.723 120.500 -0.455 0.000 2.117 197 R HA -0.204 4.250 4.340 0.190 0.000 0.243 197 R C 2.300 178.448 176.300 -0.252 0.000 1.143 197 R CA 1.884 57.594 56.100 -0.650 0.000 0.968 197 R CB -0.192 29.691 30.300 -0.696 0.000 0.863 197 R HN 0.459 nan 8.270 nan 0.000 0.444 198 R N -0.876 119.524 120.500 -0.168 0.000 2.139 198 R HA -0.047 4.407 4.340 0.190 0.000 0.243 198 R C 1.237 177.507 176.300 -0.050 0.000 1.145 198 R CA 1.955 58.003 56.100 -0.086 0.000 0.976 198 R CB -0.229 30.031 30.300 -0.066 0.000 0.866 198 R HN 0.040 nan 8.270 nan 0.000 0.449 199 S N 0.129 115.797 115.700 -0.054 0.000 2.539 199 S HA 0.022 4.606 4.470 0.190 0.000 0.221 199 S C -0.397 174.275 174.600 0.120 0.000 0.987 199 S CA -0.400 57.818 58.200 0.029 0.000 0.929 199 S CB 0.398 63.610 63.200 0.020 0.000 0.832 199 S HN 0.256 nan 8.310 nan 0.000 0.492 200 D N 3.096 123.508 120.400 0.021 0.000 2.402 200 D HA 0.095 4.849 4.640 0.190 0.000 0.235 200 D C 0.989 177.354 176.300 0.108 0.000 1.226 200 D CA 0.102 54.106 54.000 0.008 0.000 0.918 200 D CB 0.615 41.454 40.800 0.065 0.000 1.043 200 D HN 0.200 nan 8.370 nan 0.000 0.506 201 T N 0.916 115.582 114.554 0.186 0.000 3.272 201 T HA 0.395 4.860 4.350 0.190 0.000 0.250 201 T C 1.342 176.065 174.700 0.038 0.000 1.082 201 T CA -0.037 62.127 62.100 0.107 0.000 0.968 201 T CB -0.201 68.741 68.868 0.122 0.000 1.015 201 T HN 0.471 nan 8.240 nan 0.000 0.563 202 G N 2.005 110.815 108.800 0.016 0.000 2.596 202 G HA2 -0.313 3.761 3.960 0.190 0.000 0.304 202 G HA3 -0.313 3.761 3.960 0.190 0.000 0.304 202 G C 1.345 176.244 174.900 -0.002 0.000 1.189 202 G CA 0.574 45.594 45.100 -0.134 0.000 0.986 202 G HN 1.156 nan 8.290 nan 0.000 0.548 203 A N -0.670 122.111 122.820 -0.066 0.000 2.076 203 A HA 0.087 4.521 4.320 0.190 0.000 0.220 203 A C 1.787 179.395 177.584 0.041 0.000 1.160 203 A CA 2.497 54.534 52.037 -0.001 0.000 0.653 203 A CB -0.312 18.671 19.000 -0.028 0.000 0.801 203 A HN 0.598 nan 8.150 nan 0.000 0.455 204 D N -2.483 117.947 120.400 0.049 0.000 2.340 204 D HA 0.056 4.810 4.640 0.190 0.000 0.217 204 D C 1.024 177.384 176.300 0.100 0.000 1.081 204 D CA -0.036 53.999 54.000 0.058 0.000 0.842 204 D CB -0.097 40.723 40.800 0.034 0.000 0.934 204 D HN 0.542 nan 8.370 nan 0.000 0.511 205 Y N 2.136 122.442 120.300 0.011 0.000 2.207 205 Y HA -0.145 4.514 4.550 0.180 0.000 0.287 205 Y C 2.323 178.235 175.900 0.020 0.000 1.156 205 Y CA 1.811 59.925 58.100 0.023 0.000 1.182 205 Y CB -0.403 38.084 38.460 0.046 0.000 0.979 205 Y HN 0.015 nan 8.280 nan 0.000 0.521 206 G N -0.305 108.487 108.800 -0.013 0.000 2.470 206 G HA2 -0.235 3.839 3.960 0.190 0.000 0.220 206 G HA3 -0.235 3.839 3.960 0.190 0.000 0.220 206 G C 1.732 176.574 174.900 -0.098 0.000 1.121 206 G CA 0.593 45.639 45.100 -0.090 0.000 0.766 206 G HN 0.387 nan 8.290 nan 0.000 0.553 207 R N -0.629 119.836 120.500 -0.058 0.000 2.236 207 R HA 0.066 4.520 4.340 0.190 0.000 0.208 207 R C 0.094 176.358 176.300 -0.061 0.000 1.036 207 R CA 0.962 57.046 56.100 -0.026 0.000 1.001 207 R CB 0.294 30.595 30.300 0.002 0.000 0.896 207 R HN 0.225 nan 8.270 nan 0.000 0.464 208 D N -0.171 120.142 120.400 -0.145 0.000 3.250 208 D HA 0.106 4.860 4.640 0.190 0.000 0.252 208 D C -2.756 173.337 176.300 -0.344 0.000 1.342 208 D CA -1.565 52.341 54.000 -0.157 0.000 0.807 208 D CB 0.806 41.562 40.800 -0.072 0.000 1.449 208 D HN -0.108 nan 8.370 nan 0.000 0.610 209 P HA 0.335 nan 4.420 nan 0.000 0.282 209 P C -0.012 177.100 177.300 -0.313 0.000 1.249 209 P CA -0.611 61.970 63.100 -0.865 0.000 0.806 209 P CB 1.069 32.359 31.700 -0.683 0.000 0.984 210 R N 0.730 121.154 120.500 -0.127 0.000 2.641 210 R HA 0.347 4.801 4.340 0.190 0.000 0.269 210 R C 0.519 176.896 176.300 0.128 0.000 1.074 210 R CA -0.062 56.052 56.100 0.024 0.000 1.133 210 R CB 0.256 30.495 30.300 -0.101 0.000 1.029 210 R HN 0.508 nan 8.270 nan 0.000 0.488 211 S N -0.343 115.479 115.700 0.202 0.000 2.502 211 S HA 0.208 4.792 4.470 0.190 0.000 0.304 211 S C 0.624 175.421 174.600 0.328 0.000 1.097 211 S CA -0.569 57.764 58.200 0.222 0.000 1.045 211 S CB 1.143 64.428 63.200 0.142 0.000 1.019 211 S HN 0.584 nan 8.310 nan 0.000 0.481 212 S N 3.148 119.016 115.700 0.279 0.000 2.523 212 S HA 0.366 4.950 4.470 0.190 0.000 0.217 212 S C 0.954 175.671 174.600 0.195 0.000 0.996 212 S CA -0.031 58.284 58.200 0.191 0.000 0.921 212 S CB -0.089 63.172 63.200 0.100 0.000 0.829 212 S HN 0.878 nan 8.310 nan 0.000 0.495 213 G N 2.242 111.112 108.800 0.117 0.000 2.543 213 G HA2 0.492 4.566 3.960 0.190 0.000 0.290 213 G HA3 0.492 4.566 3.960 0.190 0.000 0.290 213 G C -1.723 172.964 174.900 -0.355 0.000 1.310 213 G CA -1.624 43.450 45.100 -0.042 0.000 1.025 213 G HN 0.122 nan 8.290 nan 0.000 0.502 214 P HA -0.010 nan 4.420 nan 0.000 0.226 214 P C -0.617 176.073 177.300 -1.016 0.000 1.153 214 P CA 1.071 63.272 63.100 -1.500 0.000 0.777 214 P CB 0.072 30.587 31.700 -1.974 0.000 0.794 215 Y N 0.001 120.143 120.300 -0.264 0.000 2.570 215 Y HA 0.508 5.172 4.550 0.191 0.000 0.345 215 Y C 1.098 176.974 175.900 -0.039 0.000 1.014 215 Y CA -1.143 56.887 58.100 -0.115 0.000 1.063 215 Y CB 1.775 40.173 38.460 -0.104 0.000 1.272 215 Y HN -0.226 nan 8.280 nan 0.000 0.477 216 R N -0.580 120.010 120.500 0.150 0.000 2.837 216 R HA 0.825 5.279 4.340 0.190 0.000 0.271 216 R C -1.905 174.458 176.300 0.106 0.000 0.993 216 R CA -1.082 55.083 56.100 0.108 0.000 0.931 216 R CB 1.210 31.565 30.300 0.092 0.000 1.206 216 R HN 0.381 nan 8.270 nan 0.000 0.474 217 V N 2.143 122.098 119.914 0.069 0.000 2.485 217 V HA 0.122 4.356 4.120 0.190 0.000 0.287 217 V C 1.129 177.270 176.094 0.078 0.000 1.022 217 V CA 0.736 63.076 62.300 0.066 0.000 1.067 217 V CB 0.525 32.363 31.823 0.026 0.000 0.967 217 V HN 1.028 nan 8.190 nan 0.000 0.479 218 A N 5.472 128.356 122.820 0.107 0.000 1.924 218 A HA 0.279 4.714 4.320 0.190 0.000 0.211 218 A C 1.147 178.784 177.584 0.088 0.000 1.198 218 A CA 0.510 52.610 52.037 0.105 0.000 0.657 218 A CB 0.237 19.320 19.000 0.137 0.000 0.852 218 A HN 0.695 nan 8.150 nan 0.000 0.454 219 R N -1.173 119.385 120.500 0.097 0.000 2.579 219 R HA 0.367 4.821 4.340 0.190 0.000 0.260 219 R C -2.178 174.178 176.300 0.093 0.000 1.103 219 R CA -0.568 55.563 56.100 0.052 0.000 0.942 219 R CB 1.077 31.361 30.300 -0.027 0.000 1.251 219 R HN 0.457 nan 8.270 nan 0.000 0.450 220 H N 1.815 120.870 119.070 -0.026 0.000 2.727 220 H HA 0.370 5.042 4.556 0.193 0.000 0.330 220 H C -1.542 173.768 175.328 -0.030 0.000 0.986 220 H CA -0.502 55.535 56.048 -0.019 0.000 1.251 220 H CB 1.669 31.431 29.762 0.000 0.000 1.493 220 H HN 0.510 nan 8.280 nan 0.000 0.515 221 E N 6.509 126.497 120.200 -0.353 0.000 2.102 221 E HA 0.352 4.816 4.350 0.190 0.000 0.263 221 E C -2.722 173.592 176.600 -0.477 0.000 0.894 221 E CA -2.824 53.362 56.400 -0.356 0.000 0.746 221 E CB 1.063 30.652 29.700 -0.184 0.000 1.129 221 E HN 0.431 nan 8.360 nan 0.000 0.416 222 P HA -0.032 nan 4.420 nan 0.000 0.261 222 P C -0.593 176.639 177.300 -0.113 0.000 1.173 222 P CA 0.618 63.529 63.100 -0.316 0.000 0.760 222 P CB 0.386 31.991 31.700 -0.157 0.000 0.783 223 D N 0.650 121.047 120.400 -0.005 0.000 3.059 223 D HA -0.147 4.607 4.640 0.190 0.000 0.220 223 D C 0.575 176.877 176.300 0.004 0.000 1.169 223 D CA 1.779 55.794 54.000 0.024 0.000 0.902 223 D CB -1.401 39.408 40.800 0.014 0.000 1.116 223 D HN 0.388 nan 8.370 nan 0.000 0.417 224 T N -1.718 112.828 114.554 -0.013 0.000 3.358 224 T HA 0.355 4.819 4.350 0.190 0.000 0.263 224 T C 0.346 175.053 174.700 0.012 0.000 0.998 224 T CA 0.743 62.835 62.100 -0.014 0.000 1.130 224 T CB 0.793 69.634 68.868 -0.046 0.000 1.165 224 T HN 0.211 nan 8.240 nan 0.000 0.426 225 L N -0.450 120.777 121.223 0.005 0.000 2.622 225 L HA 0.945 5.399 4.340 0.190 0.000 0.258 225 L C -2.162 174.786 176.870 0.129 0.000 0.996 225 L CA -1.298 53.573 54.840 0.052 0.000 0.858 225 L CB 1.876 43.912 42.059 -0.038 0.000 1.449 225 L HN 0.087 nan 8.230 nan 0.000 0.411 226 L N 0.855 122.205 121.223 0.212 0.000 2.482 226 L HA 0.593 5.048 4.340 0.190 0.000 0.269 226 L C -1.474 175.599 176.870 0.338 0.000 0.967 226 L CA 0.224 55.214 54.840 0.250 0.000 0.851 226 L CB 1.617 43.811 42.059 0.225 0.000 1.242 226 L HN 0.760 nan 8.230 nan 0.000 0.404 227 H N 5.665 124.788 119.070 0.088 0.000 2.466 227 H HA 0.621 5.291 4.556 0.189 0.000 0.338 227 H C -1.035 174.328 175.328 0.058 0.000 1.091 227 H CA -1.019 55.067 56.048 0.063 0.000 1.207 227 H CB 1.866 31.665 29.762 0.062 0.000 1.466 227 H HN 0.449 nan 8.280 nan 0.000 0.493 228 L N 3.440 124.744 121.223 0.135 0.000 2.346 228 L HA 0.350 4.804 4.340 0.190 0.000 0.276 228 L C 0.031 176.990 176.870 0.149 0.000 1.006 228 L CA -0.698 54.211 54.840 0.114 0.000 0.817 228 L CB 1.881 43.960 42.059 0.033 0.000 1.272 228 L HN 0.714 nan 8.230 nan 0.000 0.421 229 E N 2.524 122.839 120.200 0.192 0.000 2.299 229 E HA 0.534 4.998 4.350 0.190 0.000 0.260 229 E C -0.878 175.846 176.600 0.207 0.000 0.944 229 E CA -1.159 55.357 56.400 0.192 0.000 0.815 229 E CB 1.566 31.337 29.700 0.119 0.000 1.252 229 E HN 0.398 nan 8.360 nan 0.000 0.418 230 R N 1.038 121.589 120.500 0.085 0.000 2.623 230 R HA 0.037 4.491 4.340 0.190 0.000 0.271 230 R C 0.003 176.258 176.300 -0.075 0.000 1.043 230 R CA -0.273 55.735 56.100 -0.153 0.000 1.083 230 R CB 0.107 30.331 30.300 -0.127 0.000 0.974 230 R HN 0.482 nan 8.270 nan 0.000 0.436 231 N N 4.386 123.007 118.700 -0.131 0.000 2.401 231 N HA 0.061 4.915 4.740 0.190 0.000 0.255 231 N C -1.762 173.791 175.510 0.070 0.000 1.110 231 N CA -2.069 50.995 53.050 0.023 0.000 0.949 231 N CB 1.018 39.537 38.487 0.052 0.000 1.110 231 N HN 0.311 nan 8.380 nan 0.000 0.490 232 P HA -0.070 nan 4.420 nan 0.000 0.230 232 P C 0.258 177.458 177.300 -0.167 0.000 1.158 232 P CA 1.189 64.244 63.100 -0.074 0.000 0.769 232 P CB 0.228 31.838 31.700 -0.151 0.000 0.807 233 H N -3.213 115.922 119.070 0.108 0.000 2.586 233 H HA 0.078 4.741 4.556 0.179 0.000 0.273 233 H C 0.255 175.650 175.328 0.111 0.000 0.997 233 H CA -0.513 55.589 56.048 0.090 0.000 1.177 233 H CB -0.101 29.712 29.762 0.085 0.000 1.471 233 H HN 0.198 nan 8.280 nan 0.000 0.538 234 W N 3.221 124.547 121.300 0.043 0.000 2.216 234 W HA 0.109 4.755 4.660 -0.022 0.000 0.326 234 W C -0.303 176.205 176.519 -0.019 0.000 1.319 234 W CA -0.121 57.223 57.345 -0.001 0.000 1.213 234 W CB 0.526 29.962 29.460 -0.040 0.000 1.171 234 W HN -0.085 nan 8.180 nan 0.000 0.557 235 D N 5.823 125.775 120.400 -0.745 0.000 2.441 235 D HA 0.126 4.880 4.640 0.190 0.000 0.231 235 D C 1.327 176.946 176.300 -1.136 0.000 1.073 235 D CA -0.342 53.235 54.000 -0.704 0.000 0.850 235 D CB 0.842 41.427 40.800 -0.359 0.000 1.062 235 D HN 0.666 nan 8.370 nan 0.000 0.524 236 R N 2.987 122.775 120.500 -1.186 0.000 2.133 236 R HA -0.217 4.238 4.340 0.190 0.000 0.247 236 R C 1.569 177.598 176.300 -0.452 0.000 1.151 236 R CA 1.870 57.395 56.100 -0.957 0.000 0.971 236 R CB 0.021 30.072 30.300 -0.416 0.000 0.866 236 R HN 0.446 nan 8.270 nan 0.000 0.447 237 A N -0.334 122.287 122.820 -0.331 0.000 2.121 237 A HA -0.101 4.333 4.320 0.190 0.000 0.218 237 A C 1.882 179.363 177.584 -0.171 0.000 1.154 237 A CA 1.667 53.590 52.037 -0.191 0.000 0.679 237 A CB -0.405 18.508 19.000 -0.146 0.000 0.795 237 A HN 0.617 nan 8.150 nan 0.000 0.458 238 T N -3.917 110.493 114.554 -0.241 0.000 3.069 238 T HA 0.143 4.607 4.350 0.190 0.000 0.252 238 T C 0.043 174.674 174.700 -0.114 0.000 1.053 238 T CA 0.254 62.255 62.100 -0.166 0.000 0.964 238 T CB 0.069 68.831 68.868 -0.176 0.000 1.005 238 T HN 0.188 nan 8.240 nan 0.000 0.532 239 D N 2.520 122.848 120.400 -0.121 0.000 2.453 239 D HA 0.309 5.063 4.640 0.190 0.000 0.238 239 D C -1.880 174.471 176.300 0.085 0.000 1.088 239 D CA -2.078 51.949 54.000 0.045 0.000 0.854 239 D CB 2.400 43.333 40.800 0.223 0.000 1.076 239 D HN 0.052 nan 8.370 nan 0.000 0.533 240 P HA 0.110 nan 4.420 nan 0.000 0.249 240 P C 1.053 178.418 177.300 0.109 0.000 1.229 240 P CA 0.023 63.169 63.100 0.077 0.000 0.788 240 P CB 0.884 32.617 31.700 0.055 0.000 1.072 241 I N -0.580 120.080 120.570 0.150 0.000 3.300 241 I HA 0.139 4.423 4.170 0.190 0.000 0.279 241 I C 0.995 177.226 176.117 0.190 0.000 1.172 241 I CA 0.353 61.751 61.300 0.163 0.000 1.431 241 I CB -0.393 37.703 38.000 0.159 0.000 1.240 241 I HN -0.094 nan 8.210 nan 0.000 0.453 242 R N 2.683 123.330 120.500 0.246 0.000 2.265 242 R HA 0.278 4.732 4.340 0.190 0.000 0.328 242 R C -1.675 174.798 176.300 0.287 0.000 0.969 242 R CA -1.339 54.902 56.100 0.236 0.000 0.832 242 R CB 1.352 31.764 30.300 0.186 0.000 1.139 242 R HN 0.005 nan 8.270 nan 0.000 0.457 243 P HA -0.053 nan 4.420 nan 0.000 0.231 243 P C 0.029 177.449 177.300 0.201 0.000 1.168 243 P CA 0.489 63.711 63.100 0.204 0.000 0.779 243 P CB 0.338 32.124 31.700 0.144 0.000 0.844 244 A N -0.177 122.720 122.820 0.128 0.000 2.415 244 A HA -0.189 4.245 4.320 0.190 0.000 0.292 244 A C 1.087 178.771 177.584 0.167 0.000 1.452 244 A CA 0.655 52.749 52.037 0.095 0.000 0.750 244 A CB -2.342 16.462 19.000 -0.328 0.000 1.099 244 A HN 0.238 nan 8.150 nan 0.000 0.391 245 L N 0.398 121.718 121.223 0.161 0.000 2.049 245 L HA 0.067 4.521 4.340 0.190 0.000 0.203 245 L C -1.054 175.896 176.870 0.134 0.000 1.074 245 L CA 0.701 55.617 54.840 0.127 0.000 0.749 245 L CB -1.146 40.968 42.059 0.091 0.000 0.907 245 L HN 0.455 nan 8.230 nan 0.000 0.439 246 P HA 0.016 nan 4.420 nan 0.000 0.272 246 P C -0.509 176.909 177.300 0.196 0.000 1.223 246 P CA 0.118 63.284 63.100 0.111 0.000 0.784 246 P CB 0.719 32.432 31.700 0.021 0.000 0.923 247 D N 0.440 120.920 120.400 0.132 0.000 2.277 247 D HA -0.009 4.745 4.640 0.190 0.000 0.208 247 D C 0.931 177.336 176.300 0.174 0.000 0.962 247 D CA 1.299 55.382 54.000 0.139 0.000 0.865 247 D CB 0.394 41.240 40.800 0.076 0.000 0.939 247 D HN 0.378 nan 8.370 nan 0.000 0.510 248 R N -0.499 120.068 120.500 0.110 0.000 2.680 248 R HA 0.459 4.913 4.340 0.190 0.000 0.269 248 R C -2.061 174.203 176.300 -0.060 0.000 1.026 248 R CA -0.539 55.590 56.100 0.048 0.000 0.889 248 R CB 1.880 32.182 30.300 0.003 0.000 1.241 248 R HN -0.267 nan 8.270 nan 0.000 0.463 249 V N 2.713 122.557 119.914 -0.116 0.000 2.483 249 V HA 0.404 4.638 4.120 0.190 0.000 0.297 249 V C -0.869 175.155 176.094 -0.117 0.000 1.027 249 V CA -0.702 61.506 62.300 -0.153 0.000 0.855 249 V CB 1.770 33.434 31.823 -0.265 0.000 0.995 249 V HN 0.760 nan 8.190 nan 0.000 0.424 250 E N 3.915 124.047 120.200 -0.113 0.000 2.185 250 E HA 0.466 4.930 4.350 0.190 0.000 0.261 250 E C -1.254 175.378 176.600 0.052 0.000 0.879 250 E CA -0.808 55.517 56.400 -0.124 0.000 0.756 250 E CB 2.545 32.048 29.700 -0.329 0.000 1.152 250 E HN 0.481 nan 8.360 nan 0.000 0.416 251 L N 2.969 124.276 121.223 0.140 0.000 2.264 251 L HA 0.343 4.797 4.340 0.190 0.000 0.289 251 L C -0.557 176.387 176.870 0.122 0.000 1.044 251 L CA 0.115 55.015 54.840 0.100 0.000 0.807 251 L CB 1.461 43.580 42.059 0.101 0.000 1.192 251 L HN 0.322 nan 8.230 nan 0.000 0.425 252 T N 6.741 121.313 114.554 0.030 0.000 2.771 252 T HA 0.577 5.041 4.350 0.190 0.000 0.291 252 T C -0.003 174.630 174.700 -0.113 0.000 0.954 252 T CA 0.009 62.109 62.100 -0.001 0.000 1.045 252 T CB 0.386 69.267 68.868 0.022 0.000 0.917 252 T HN 0.435 nan 8.240 nan 0.000 0.484 253 I N 1.617 122.163 120.570 -0.040 0.000 2.530 253 I HA 0.577 4.861 4.170 0.190 0.000 0.297 253 I C 1.080 177.169 176.117 -0.046 0.000 1.011 253 I CA -0.511 60.764 61.300 -0.041 0.000 1.107 253 I CB 1.918 39.950 38.000 0.053 0.000 1.285 253 I HN 0.865 nan 8.210 nan 0.000 0.436 254 G N 4.671 113.431 108.800 -0.067 0.000 2.163 254 G HA2 -0.168 3.906 3.960 0.190 0.000 0.213 254 G HA3 -0.168 3.906 3.960 0.190 0.000 0.213 254 G C -0.038 174.826 174.900 -0.060 0.000 0.991 254 G CA -0.655 44.419 45.100 -0.044 0.000 0.653 254 G HN 0.419 nan 8.290 nan 0.000 0.518 255 L N 1.128 122.293 121.223 -0.098 0.000 2.426 255 L HA 0.349 4.803 4.340 0.190 0.000 0.271 255 L C 0.982 177.801 176.870 -0.086 0.000 1.169 255 L CA -0.322 54.467 54.840 -0.086 0.000 0.836 255 L CB 0.531 42.519 42.059 -0.117 0.000 1.112 255 L HN 0.363 nan 8.230 nan 0.000 0.465 256 D N 0.797 121.161 120.400 -0.061 0.000 2.506 256 D HA -0.004 4.750 4.640 0.190 0.000 0.234 256 D C 1.163 177.415 176.300 -0.081 0.000 1.143 256 D CA -0.148 53.814 54.000 -0.063 0.000 0.871 256 D CB 1.239 42.013 40.800 -0.043 0.000 1.190 256 D HN 0.343 nan 8.370 nan 0.000 0.459 257 V N 0.734 120.592 119.914 -0.093 0.000 2.407 257 V HA -0.178 4.056 4.120 0.190 0.000 0.248 257 V C 1.358 177.396 176.094 -0.092 0.000 1.055 257 V CA 1.749 63.983 62.300 -0.111 0.000 1.049 257 V CB -0.494 31.253 31.823 -0.126 0.000 0.662 257 V HN 0.569 nan 8.190 nan 0.000 0.455 258 D N 0.536 120.893 120.400 -0.072 0.000 2.162 258 D HA -0.030 4.725 4.640 0.190 0.000 0.203 258 D C 2.362 178.636 176.300 -0.042 0.000 0.967 258 D CA 1.441 55.407 54.000 -0.056 0.000 0.840 258 D CB 0.095 40.870 40.800 -0.042 0.000 0.972 258 D HN 0.453 nan 8.370 nan 0.000 0.482 259 V N 1.946 121.839 119.914 -0.034 0.000 2.287 259 V HA -0.237 3.997 4.120 0.190 0.000 0.248 259 V C 2.642 178.735 176.094 -0.002 0.000 1.053 259 V CA 1.229 63.522 62.300 -0.011 0.000 1.027 259 V CB -0.530 31.289 31.823 -0.006 0.000 0.646 259 V HN 0.175 nan 8.190 nan 0.000 0.447 260 L N -0.116 121.081 121.223 -0.044 0.000 1.990 260 L HA -0.256 4.198 4.340 0.190 0.000 0.213 260 L C 2.389 179.238 176.870 -0.035 0.000 1.072 260 L CA 2.261 57.059 54.840 -0.070 0.000 0.755 260 L CB -0.560 41.408 42.059 -0.150 0.000 0.889 260 L HN 0.345 nan 8.230 nan 0.000 0.432 261 D N 0.037 120.399 120.400 -0.063 0.000 2.123 261 D HA -0.196 4.558 4.640 0.190 0.000 0.196 261 D C 2.183 178.428 176.300 -0.092 0.000 0.992 261 D CA 1.554 55.504 54.000 -0.084 0.000 0.833 261 D CB -0.209 40.537 40.800 -0.090 0.000 0.954 261 D HN 0.542 nan 8.370 nan 0.000 0.455 262 A N 0.833 123.622 122.820 -0.053 0.000 1.902 262 A HA -0.181 4.254 4.320 0.190 0.000 0.217 262 A C 2.195 179.770 177.584 -0.014 0.000 1.181 262 A CA 1.405 53.415 52.037 -0.045 0.000 0.623 262 A CB -0.410 18.577 19.000 -0.022 0.000 0.818 262 A HN 0.136 nan 8.150 nan 0.000 0.443 263 R N -1.239 119.297 120.500 0.060 0.000 2.115 263 R HA 0.023 4.477 4.340 0.190 0.000 0.226 263 R C 2.083 178.484 176.300 0.168 0.000 1.100 263 R CA 1.040 57.216 56.100 0.126 0.000 0.980 263 R CB -0.436 30.033 30.300 0.280 0.000 0.875 263 R HN 0.496 nan 8.270 nan 0.000 0.445 264 L N 1.153 122.485 121.223 0.181 0.000 1.994 264 L HA -0.119 4.335 4.340 0.190 0.000 0.208 264 L C 1.918 178.793 176.870 0.009 0.000 1.071 264 L CA 1.746 56.679 54.840 0.155 0.000 0.745 264 L CB -0.255 41.853 42.059 0.082 0.000 0.892 264 L HN 0.095 nan 8.230 nan 0.000 0.431 265 I N -0.176 120.254 120.570 -0.233 0.000 2.361 265 I HA -0.249 4.035 4.170 0.190 0.000 0.251 265 I C 2.438 178.502 176.117 -0.089 0.000 1.133 265 I CA 1.072 62.105 61.300 -0.444 0.000 1.413 265 I CB -0.580 37.054 38.000 -0.610 0.000 1.073 265 I HN 0.382 nan 8.210 nan 0.000 0.424 266 A N 0.263 123.069 122.820 -0.022 0.000 2.168 266 A HA 0.140 4.574 4.320 0.190 0.000 0.215 266 A C 1.971 179.619 177.584 0.107 0.000 1.152 266 A CA 1.101 53.158 52.037 0.033 0.000 0.716 266 A CB -0.658 18.345 19.000 0.004 0.000 0.794 266 A HN 0.592 nan 8.150 nan 0.000 0.465 267 G N -0.980 107.930 108.800 0.183 0.000 2.157 267 G HA2 -0.283 3.792 3.960 0.190 0.000 0.239 267 G HA3 -0.283 3.792 3.960 0.190 0.000 0.239 267 G C 0.668 175.674 174.900 0.175 0.000 0.982 267 G CA 0.744 46.072 45.100 0.379 0.000 0.650 267 G HN 0.587 nan 8.290 nan 0.000 0.527 268 E N -0.955 119.220 120.200 -0.042 0.000 2.208 268 E HA 0.175 4.639 4.350 0.190 0.000 0.193 268 E C 0.204 176.424 176.600 -0.633 0.000 0.988 268 E CA 0.352 56.532 56.400 -0.367 0.000 0.828 268 E CB 0.033 29.416 29.700 -0.528 0.000 0.763 268 E HN 0.533 nan 8.360 nan 0.000 0.478 269 F N -0.409 119.612 119.950 0.117 0.000 2.577 269 F HA 0.240 4.880 4.527 0.190 0.000 0.318 269 F C 0.835 176.730 175.800 0.158 0.000 1.065 269 F CA -1.199 56.865 58.000 0.106 0.000 0.929 269 F CB 1.579 40.606 39.000 0.045 0.000 1.237 269 F HN -0.255 nan 8.300 nan 0.000 0.468 270 D N 0.840 121.435 120.400 0.326 0.000 2.149 270 D HA 0.116 4.871 4.640 0.190 0.000 0.206 270 D C 0.338 176.676 176.300 0.063 0.000 0.967 270 D CA 1.646 55.761 54.000 0.192 0.000 0.848 270 D CB 0.594 41.503 40.800 0.182 0.000 0.998 270 D HN 0.022 nan 8.370 nan 0.000 0.474 271 I N 0.646 121.268 120.570 0.087 0.000 2.752 271 I HA 0.100 4.384 4.170 0.190 0.000 0.295 271 I C -0.517 175.610 176.117 0.016 0.000 1.219 271 I CA -0.847 60.483 61.300 0.049 0.000 1.030 271 I CB 1.992 39.991 38.000 -0.003 0.000 1.259 271 I HN -0.199 nan 8.210 nan 0.000 0.423 272 N N 4.508 123.207 118.700 -0.001 0.000 2.402 272 N HA 0.075 4.929 4.740 0.190 0.000 0.252 272 N C 0.592 176.005 175.510 -0.161 0.000 1.118 272 N CA -0.155 52.828 53.050 -0.112 0.000 0.945 272 N CB 0.787 39.214 38.487 -0.100 0.000 1.147 272 N HN 0.641 nan 8.380 nan 0.000 0.495 273 L N 4.169 125.266 121.223 -0.210 0.000 2.056 273 L HA 0.024 4.478 4.340 0.190 0.000 0.207 273 L C 1.945 178.624 176.870 -0.318 0.000 1.078 273 L CA 1.781 56.505 54.840 -0.193 0.000 0.749 273 L CB -0.625 41.355 42.059 -0.132 0.000 0.901 273 L HN 0.719 nan 8.230 nan 0.000 0.433 274 E N -0.124 119.682 120.200 -0.657 0.000 2.118 274 E HA -0.154 4.310 4.350 0.190 0.000 0.195 274 E C 1.339 177.649 176.600 -0.484 0.000 0.992 274 E CA 0.985 56.747 56.400 -1.064 0.000 0.804 274 E CB -0.316 28.723 29.700 -1.103 0.000 0.741 274 E HN 0.667 nan 8.360 nan 0.000 0.458 275 G N 0.985 109.599 108.800 -0.310 0.000 2.176 275 G HA2 -0.324 3.751 3.960 0.190 0.000 0.252 275 G HA3 -0.324 3.751 3.960 0.190 0.000 0.252 275 G C 0.568 175.436 174.900 -0.054 0.000 1.024 275 G CA 0.524 45.528 45.100 -0.160 0.000 0.755 275 G HN 0.297 nan 8.290 nan 0.000 0.507 276 R N 0.198 120.612 120.500 -0.143 0.000 2.323 276 R HA 0.360 4.814 4.340 0.190 0.000 0.198 276 R C 1.639 177.869 176.300 -0.116 0.000 0.988 276 R CA 0.761 56.776 56.100 -0.141 0.000 1.041 276 R CB -0.108 30.081 30.300 -0.185 0.000 0.926 276 R HN 1.574 nan 8.270 nan 0.000 0.476 277 G N 0.872 109.636 108.800 -0.060 0.000 2.756 277 G HA2 -0.242 3.832 3.960 0.190 0.000 0.678 277 G HA3 -0.242 3.832 3.960 0.190 0.000 0.678 277 G C -0.497 174.364 174.900 -0.065 0.000 1.349 277 G CA -1.035 44.014 45.100 -0.085 0.000 0.847 277 G HN 0.098 nan 8.290 nan 0.000 0.548 278 L N 1.210 122.409 121.223 -0.040 0.000 2.453 278 L HA 0.224 4.678 4.340 0.190 0.000 0.272 278 L C 1.324 178.159 176.870 -0.058 0.000 1.182 278 L CA -0.563 54.259 54.840 -0.029 0.000 0.858 278 L CB 0.569 42.639 42.059 0.020 0.000 1.120 278 L HN 0.559 nan 8.230 nan 0.000 0.474 279 Q N 1.246 120.997 119.800 -0.081 0.000 2.407 279 Q HA 0.074 4.528 4.340 0.190 0.000 0.214 279 Q C 1.106 177.084 176.000 -0.038 0.000 1.043 279 Q CA -0.478 55.245 55.803 -0.134 0.000 0.983 279 Q CB 0.439 29.089 28.738 -0.146 0.000 1.211 279 Q HN 0.462 nan 8.270 nan 0.000 0.564 280 H N 0.592 119.646 119.070 -0.026 0.000 2.319 280 H HA -0.161 4.510 4.556 0.191 0.000 0.297 280 H C 1.791 177.111 175.328 -0.013 0.000 1.097 280 H CA 1.979 58.017 56.048 -0.016 0.000 1.285 280 H CB -0.481 29.270 29.762 -0.018 0.000 1.368 280 H HN 0.716 nan 8.280 nan 0.000 0.495 281 A N 0.928 123.812 122.820 0.107 0.000 1.883 281 A HA -0.102 4.332 4.320 0.190 0.000 0.217 281 A C 2.687 180.288 177.584 0.029 0.000 1.186 281 A CA 2.200 54.266 52.037 0.050 0.000 0.624 281 A CB -0.927 18.086 19.000 0.022 0.000 0.822 281 A HN 0.466 nan 8.150 nan 0.000 0.444 282 A N -1.122 121.704 122.820 0.010 0.000 1.968 282 A HA -0.109 4.325 4.320 0.190 0.000 0.217 282 A C 2.083 179.688 177.584 0.035 0.000 1.169 282 A CA 1.397 53.429 52.037 -0.009 0.000 0.638 282 A CB -0.474 18.493 19.000 -0.054 0.000 0.812 282 A HN 0.649 nan 8.150 nan 0.000 0.446 283 Q N -0.223 119.614 119.800 0.062 0.000 2.045 283 Q HA -0.264 4.190 4.340 0.190 0.000 0.206 283 Q C 2.331 178.387 176.000 0.093 0.000 0.991 283 Q CA 2.146 58.007 55.803 0.098 0.000 0.851 283 Q CB -0.294 28.517 28.738 0.121 0.000 0.911 283 Q HN 0.865 nan 8.270 nan 0.000 0.418 284 R N 0.325 120.865 120.500 0.067 0.000 2.115 284 R HA -0.081 4.373 4.340 0.190 0.000 0.230 284 R C 2.191 178.518 176.300 0.044 0.000 1.111 284 R CA 1.285 57.412 56.100 0.045 0.000 0.976 284 R CB -0.376 29.938 30.300 0.023 0.000 0.870 284 R HN 0.083 nan 8.270 nan 0.000 0.445 285 R N 0.989 121.515 120.500 0.044 0.000 2.066 285 R HA -0.036 4.419 4.340 0.190 0.000 0.232 285 R C 2.246 178.591 176.300 0.074 0.000 1.131 285 R CA 1.518 57.643 56.100 0.041 0.000 0.955 285 R CB -0.306 30.005 30.300 0.018 0.000 0.851 285 R HN 0.342 nan 8.270 nan 0.000 0.432 286 A N 0.199 123.083 122.820 0.106 0.000 1.929 286 A HA -0.116 4.318 4.320 0.190 0.000 0.216 286 A C 2.133 179.844 177.584 0.211 0.000 1.176 286 A CA 1.833 53.987 52.037 0.195 0.000 0.628 286 A CB -0.770 18.389 19.000 0.264 0.000 0.816 286 A HN 0.633 nan 8.150 nan 0.000 0.444 287 T N -2.989 111.666 114.554 0.169 0.000 3.055 287 T HA 0.303 4.767 4.350 0.190 0.000 0.265 287 T C 1.605 176.305 174.700 0.001 0.000 1.111 287 T CA 1.201 63.361 62.100 0.101 0.000 1.118 287 T CB -0.058 68.859 68.868 0.081 0.000 0.909 287 T HN 0.453 nan 8.240 nan 0.000 0.501 288 A N 0.943 123.780 122.820 0.027 0.000 2.095 288 A HA 0.309 4.743 4.320 0.190 0.000 0.212 288 A C 0.853 178.445 177.584 0.013 0.000 1.162 288 A CA 0.095 52.133 52.037 0.001 0.000 0.753 288 A CB -0.190 18.814 19.000 0.007 0.000 0.840 288 A HN 0.544 nan 8.150 nan 0.000 0.468 289 D N -0.978 119.452 120.400 0.049 0.000 2.232 289 D HA 0.365 5.119 4.640 0.190 0.000 0.242 289 D C 0.886 177.225 176.300 0.066 0.000 1.093 289 D CA -0.197 53.840 54.000 0.061 0.000 0.845 289 D CB 1.238 42.092 40.800 0.090 0.000 1.124 289 D HN 0.128 nan 8.370 nan 0.000 0.467 290 E N 2.358 122.582 120.200 0.040 0.000 2.110 290 E HA -0.131 4.333 4.350 0.190 0.000 0.193 290 E C 1.587 178.212 176.600 0.041 0.000 0.988 290 E CA 1.062 57.478 56.400 0.025 0.000 0.804 290 E CB -0.008 29.696 29.700 0.008 0.000 0.745 290 E HN 0.444 nan 8.360 nan 0.000 0.458 291 V N 0.501 120.456 119.914 0.068 0.000 2.307 291 V HA -0.227 4.007 4.120 0.190 0.000 0.245 291 V C 2.408 178.587 176.094 0.142 0.000 1.045 291 V CA 1.616 63.965 62.300 0.081 0.000 1.024 291 V CB -0.481 31.425 31.823 0.139 0.000 0.651 291 V HN 0.311 nan 8.190 nan 0.000 0.449 292 L N -0.605 120.771 121.223 0.255 0.000 2.083 292 L HA -0.164 4.290 4.340 0.190 0.000 0.209 292 L C 2.785 179.861 176.870 0.345 0.000 1.083 292 L CA 1.502 56.594 54.840 0.420 0.000 0.752 292 L CB -0.631 41.646 42.059 0.363 0.000 0.899 292 L HN 0.249 nan 8.230 nan 0.000 0.433 293 R N 0.072 120.719 120.500 0.245 0.000 2.105 293 R HA -0.165 4.290 4.340 0.190 0.000 0.239 293 R C 2.518 178.987 176.300 0.281 0.000 1.135 293 R CA 1.744 58.042 56.100 0.330 0.000 0.967 293 R CB -0.409 29.993 30.300 0.170 0.000 0.861 293 R HN 0.470 nan 8.270 nan 0.000 0.442 294 S N -0.059 115.659 115.700 0.031 0.000 2.507 294 S HA -0.094 4.490 4.470 0.190 0.000 0.235 294 S C 1.112 175.531 174.600 -0.302 0.000 0.988 294 S CA 0.717 58.833 58.200 -0.140 0.000 0.944 294 S CB -0.118 62.922 63.200 -0.267 0.000 0.762 294 S HN 0.388 nan 8.310 nan 0.000 0.526 295 H N 0.763 119.790 119.070 -0.071 0.000 2.542 295 H HA 0.359 5.029 4.556 0.190 0.000 0.283 295 H C -0.342 174.748 175.328 -0.397 0.000 1.059 295 H CA 0.121 55.948 56.048 -0.369 0.000 1.162 295 H CB 0.247 29.571 29.762 -0.730 0.000 1.539 295 H HN 0.349 nan 8.280 nan 0.000 0.543 296 T N 1.585 116.109 114.554 -0.050 0.000 2.841 296 T HA 0.273 4.737 4.350 0.190 0.000 0.283 296 T C -0.230 174.271 174.700 -0.331 0.000 1.000 296 T CA -0.807 61.257 62.100 -0.060 0.000 0.977 296 T CB 2.405 71.366 68.868 0.155 0.000 0.979 296 T HN 0.066 nan 8.240 nan 0.000 0.446 297 D N 2.229 122.460 120.400 -0.281 0.000 2.350 297 D HA 0.315 5.069 4.640 0.190 0.000 0.245 297 D C -0.292 175.730 176.300 -0.463 0.000 1.036 297 D CA -0.541 53.227 54.000 -0.386 0.000 0.848 297 D CB 1.829 42.595 40.800 -0.057 0.000 1.307 297 D HN 0.384 nan 8.370 nan 0.000 0.469 298 N N 1.907 120.284 118.700 -0.538 0.000 2.757 298 N HA 0.219 5.073 4.740 0.190 0.000 0.296 298 N C -2.745 172.652 175.510 -0.189 0.000 1.874 298 N CA -1.577 51.263 53.050 -0.350 0.000 0.885 298 N CB 0.792 39.106 38.487 -0.287 0.000 1.242 298 N HN 0.114 nan 8.380 nan 0.000 0.488 299 P HA 0.260 nan 4.420 nan 0.000 0.278 299 P C -0.425 176.844 177.300 -0.051 0.000 1.258 299 P CA -0.355 62.696 63.100 -0.082 0.000 0.811 299 P CB 1.456 33.132 31.700 -0.040 0.000 1.063 300 R N -0.139 120.355 120.500 -0.010 0.000 2.543 300 R HA 0.196 4.650 4.340 0.190 0.000 0.277 300 R C 1.481 177.806 176.300 0.042 0.000 1.074 300 R CA 0.335 56.449 56.100 0.022 0.000 1.076 300 R CB -0.039 30.262 30.300 0.002 0.000 0.993 300 R HN 0.539 nan 8.270 nan 0.000 0.459 301 T N -2.130 112.481 114.554 0.093 0.000 3.081 301 T HA 0.038 4.502 4.350 0.190 0.000 0.250 301 T C 0.825 175.670 174.700 0.241 0.000 1.100 301 T CA 0.206 62.404 62.100 0.162 0.000 1.038 301 T CB 0.161 69.114 68.868 0.141 0.000 0.962 301 T HN 0.580 nan 8.240 nan 0.000 0.516 302 S N -0.382 115.401 115.700 0.139 0.000 2.857 302 S HA -0.135 4.449 4.470 0.190 0.000 0.268 302 S C -0.071 174.594 174.600 0.107 0.000 1.297 302 S CA 0.307 58.524 58.200 0.029 0.000 1.280 302 S CB -2.081 61.077 63.200 -0.070 0.000 1.562 302 S HN 0.632 nan 8.310 nan 0.000 0.661 303 F N 0.995 120.974 119.950 0.049 0.000 2.418 303 F HA 0.589 5.229 4.527 0.189 0.000 0.341 303 F C 0.292 176.229 175.800 0.229 0.000 1.120 303 F CA -0.579 57.458 58.000 0.061 0.000 1.232 303 F CB 0.665 39.630 39.000 -0.058 0.000 1.175 303 F HN 0.192 nan 8.300 nan 0.000 0.569 304 L N 3.961 125.445 121.223 0.435 0.000 2.341 304 L HA 0.418 4.873 4.340 0.190 0.000 0.278 304 L C -0.957 176.114 176.870 0.336 0.000 1.005 304 L CA -0.342 54.782 54.840 0.474 0.000 0.818 304 L CB 0.858 43.304 42.059 0.644 0.000 1.259 304 L HN 0.447 nan 8.230 nan 0.000 0.418 305 H N 6.200 125.488 119.070 0.363 0.000 2.517 305 H HA 0.523 5.194 4.556 0.191 0.000 0.317 305 H C -0.974 174.510 175.328 0.260 0.000 1.080 305 H CA 0.067 56.252 56.048 0.228 0.000 1.301 305 H CB 0.992 30.820 29.762 0.109 0.000 1.425 305 H HN 0.655 nan 8.280 nan 0.000 0.471 306 F N -0.199 119.825 119.950 0.123 0.000 2.711 306 F HA 0.585 5.226 4.527 0.189 0.000 0.313 306 F C -1.724 174.085 175.800 0.016 0.000 1.141 306 F CA -1.155 56.882 58.000 0.062 0.000 0.941 306 F CB 0.803 39.840 39.000 0.062 0.000 1.349 306 F HN 0.083 nan 8.300 nan 0.000 0.464 307 V N 1.947 121.963 119.914 0.170 0.000 2.417 307 V HA 0.796 5.031 4.120 0.190 0.000 0.291 307 V C -0.080 176.125 176.094 0.184 0.000 1.024 307 V CA -0.559 61.765 62.300 0.041 0.000 0.861 307 V CB 1.112 32.940 31.823 0.009 0.000 0.985 307 V HN 1.131 nan 8.190 nan 0.000 0.436 308 A N 6.296 129.178 122.820 0.103 0.000 2.312 308 A HA 0.900 5.334 4.320 0.190 0.000 0.326 308 A C -0.444 177.103 177.584 -0.060 0.000 1.172 308 A CA -0.558 51.549 52.037 0.117 0.000 0.821 308 A CB 0.855 19.954 19.000 0.165 0.000 1.166 308 A HN 0.818 nan 8.150 nan 0.000 0.493 309 M N 1.463 121.013 119.600 -0.082 0.000 2.383 309 M HA 0.335 4.929 4.480 0.190 0.000 0.325 309 M C -1.027 175.159 176.300 -0.190 0.000 1.092 309 M CA -0.558 54.605 55.300 -0.229 0.000 0.961 309 M CB 2.080 34.602 32.600 -0.129 0.000 1.672 309 M HN 0.673 nan 8.290 nan 0.000 0.438 310 Q N 3.308 122.910 119.800 -0.330 0.000 2.431 310 Q HA 0.307 4.761 4.340 0.190 0.000 0.249 310 Q C -1.982 173.817 176.000 -0.334 0.000 1.025 310 Q CA -1.753 53.792 55.803 -0.431 0.000 0.835 310 Q CB 0.991 29.285 28.738 -0.740 0.000 1.207 310 Q HN 0.264 nan 8.270 nan 0.000 0.490 311 P HA -0.200 nan 4.420 nan 0.000 0.221 311 P C 0.459 177.766 177.300 0.010 0.000 1.145 311 P CA 1.221 64.322 63.100 0.002 0.000 0.795 311 P CB 0.178 31.912 31.700 0.057 0.000 0.775 312 H N -1.981 117.104 119.070 0.025 0.000 2.559 312 H HA 0.064 4.734 4.556 0.190 0.000 0.273 312 H C 0.358 175.707 175.328 0.035 0.000 1.000 312 H CA 0.420 56.479 56.048 0.018 0.000 1.195 312 H CB -0.344 29.418 29.762 0.000 0.000 1.368 312 H HN 0.113 nan 8.280 nan 0.000 0.592 313 I N 3.289 123.802 120.570 -0.096 0.000 2.428 313 I HA 0.301 4.585 4.170 0.190 0.000 0.279 313 I C -2.627 173.554 176.117 0.106 0.000 1.040 313 I CA -2.937 58.371 61.300 0.014 0.000 1.171 313 I CB 1.051 39.038 38.000 -0.021 0.000 1.312 313 I HN -0.179 nan 8.210 nan 0.000 0.470 314 P HA 0.082 nan 4.420 nan 0.000 0.266 314 P C -1.880 175.356 177.300 -0.108 0.000 1.193 314 P CA -0.547 62.525 63.100 -0.047 0.000 0.770 314 P CB 0.066 31.735 31.700 -0.051 0.000 0.836 315 P HA 0.157 nan 4.420 nan 0.000 0.254 315 P C 0.197 177.164 177.300 -0.555 0.000 1.494 315 P CA 0.131 62.909 63.100 -0.537 0.000 0.961 315 P CB -0.195 31.005 31.700 -0.832 0.000 1.493 316 F N 1.590 121.417 119.950 -0.206 0.000 2.802 316 F HA -0.050 4.592 4.527 0.191 0.000 0.300 316 F C 1.972 177.708 175.800 -0.108 0.000 1.168 316 F CA 0.575 58.488 58.000 -0.145 0.000 1.433 316 F CB -0.500 38.431 39.000 -0.115 0.000 1.115 316 F HN 0.029 nan 8.300 nan 0.000 0.582 317 D N -0.711 119.695 120.400 0.010 0.000 2.264 317 D HA -0.166 4.588 4.640 0.190 0.000 0.208 317 D C 0.486 176.779 176.300 -0.012 0.000 0.966 317 D CA 0.472 54.477 54.000 0.008 0.000 0.864 317 D CB -0.513 40.286 40.800 -0.002 0.000 0.933 317 D HN 0.209 nan 8.370 nan 0.000 0.499 318 N N 1.175 119.840 118.700 -0.058 0.000 2.419 318 N HA 0.002 4.856 4.740 0.190 0.000 0.264 318 N C 0.984 176.459 175.510 -0.058 0.000 1.031 318 N CA -0.208 52.811 53.050 -0.051 0.000 0.951 318 N CB 2.204 40.650 38.487 -0.070 0.000 1.101 318 N HN -0.138 nan 8.380 nan 0.000 0.488 319 V N 4.928 124.782 119.914 -0.101 0.000 2.469 319 V HA -0.245 3.989 4.120 0.190 0.000 0.251 319 V C 1.305 177.259 176.094 -0.233 0.000 1.064 319 V CA 2.006 64.198 62.300 -0.179 0.000 1.066 319 V CB -0.622 31.047 31.823 -0.257 0.000 0.667 319 V HN 0.717 nan 8.190 nan 0.000 0.461 320 H N -1.580 117.486 119.070 -0.007 0.000 2.436 320 H HA -0.012 4.658 4.556 0.190 0.000 0.294 320 H C 2.197 177.525 175.328 -0.000 0.000 1.048 320 H CA 1.404 57.455 56.048 0.004 0.000 1.353 320 H CB -0.037 29.732 29.762 0.012 0.000 1.414 320 H HN 0.347 nan 8.280 nan 0.000 0.536 321 V N 1.024 120.964 119.914 0.043 0.000 2.287 321 V HA -0.275 3.959 4.120 0.190 0.000 0.248 321 V C 2.219 178.354 176.094 0.068 0.000 1.053 321 V CA 1.892 64.183 62.300 -0.016 0.000 1.027 321 V CB -0.302 31.322 31.823 -0.332 0.000 0.646 321 V HN 0.425 nan 8.190 nan 0.000 0.447 322 R N -0.333 120.194 120.500 0.044 0.000 2.075 322 R HA -0.084 4.371 4.340 0.190 0.000 0.232 322 R C 2.495 178.742 176.300 -0.087 0.000 1.126 322 R CA 1.251 57.390 56.100 0.065 0.000 0.963 322 R CB -0.356 29.970 30.300 0.044 0.000 0.858 322 R HN 0.477 nan 8.270 nan 0.000 0.435 323 R N 0.543 120.935 120.500 -0.180 0.000 2.092 323 R HA -0.025 4.429 4.340 0.190 0.000 0.231 323 R C 2.375 178.613 176.300 -0.103 0.000 1.119 323 R CA 1.160 57.020 56.100 -0.399 0.000 0.970 323 R CB -0.351 29.778 30.300 -0.285 0.000 0.864 323 R HN 0.193 nan 8.270 nan 0.000 0.440 324 A N 0.850 123.729 122.820 0.098 0.000 1.883 324 A HA -0.151 4.283 4.320 0.190 0.000 0.217 324 A C 2.350 180.016 177.584 0.137 0.000 1.186 324 A CA 1.612 53.758 52.037 0.181 0.000 0.624 324 A CB -0.642 18.462 19.000 0.172 0.000 0.822 324 A HN 0.120 nan 8.150 nan 0.000 0.444 325 V N 0.275 120.253 119.914 0.108 0.000 2.343 325 V HA -0.299 3.935 4.120 0.190 0.000 0.247 325 V C 2.731 178.845 176.094 0.034 0.000 1.051 325 V CA 2.121 64.483 62.300 0.103 0.000 1.036 325 V CB -0.855 31.074 31.823 0.177 0.000 0.654 325 V HN 0.606 nan 8.190 nan 0.000 0.451 326 Q N -0.955 118.796 119.800 -0.081 0.000 2.050 326 Q HA -0.223 4.231 4.340 0.190 0.000 0.202 326 Q C 2.198 178.161 176.000 -0.061 0.000 0.980 326 Q CA 2.077 57.794 55.803 -0.142 0.000 0.840 326 Q CB -0.450 28.042 28.738 -0.410 0.000 0.898 326 Q HN 0.723 nan 8.270 nan 0.000 0.424 327 Y N 0.421 120.731 120.300 0.016 0.000 2.274 327 Y HA -0.137 4.528 4.550 0.191 0.000 0.290 327 Y C 2.283 178.211 175.900 0.047 0.000 1.145 327 Y CA 0.786 58.922 58.100 0.061 0.000 1.203 327 Y CB -0.003 38.491 38.460 0.057 0.000 0.984 327 Y HN 0.134 nan 8.280 nan 0.000 0.533 328 A N 0.036 122.966 122.820 0.184 0.000 2.251 328 A HA 0.440 4.875 4.320 0.190 0.000 0.209 328 A C 1.090 178.720 177.584 0.076 0.000 1.187 328 A CA 0.275 52.379 52.037 0.111 0.000 0.823 328 A CB -0.695 18.352 19.000 0.078 0.000 0.846 328 A HN 0.197 nan 8.150 nan 0.000 0.486 329 A N 0.766 123.632 122.820 0.076 0.000 2.451 329 A HA 0.368 4.803 4.320 0.190 0.000 0.266 329 A C -0.193 177.425 177.584 0.056 0.000 1.119 329 A CA -0.186 51.885 52.037 0.056 0.000 0.786 329 A CB -0.027 19.004 19.000 0.051 0.000 1.061 329 A HN 0.244 nan 8.150 nan 0.000 0.503 330 D N 2.940 123.365 120.400 0.041 0.000 2.422 330 D HA 0.126 4.880 4.640 0.190 0.000 0.227 330 D C 0.809 177.129 176.300 0.032 0.000 1.190 330 D CA -0.236 53.785 54.000 0.036 0.000 0.905 330 D CB 0.574 41.389 40.800 0.025 0.000 1.034 330 D HN 0.379 nan 8.370 nan 0.000 0.507 331 K N 3.376 123.800 120.400 0.040 0.000 2.147 331 K HA -0.065 4.370 4.320 0.190 0.000 0.205 331 K C 1.677 178.295 176.600 0.029 0.000 1.049 331 K CA 0.510 56.819 56.287 0.037 0.000 0.936 331 K CB 0.246 32.773 32.500 0.045 0.000 0.722 331 K HN 0.507 nan 8.250 nan 0.000 0.446 332 I N 0.786 121.372 120.570 0.027 0.000 2.233 332 I HA -0.201 4.083 4.170 0.190 0.000 0.243 332 I C 2.377 178.502 176.117 0.013 0.000 1.093 332 I CA 0.697 62.010 61.300 0.021 0.000 1.380 332 I CB -1.105 36.907 38.000 0.020 0.000 1.067 332 I HN 0.041 nan 8.210 nan 0.000 0.413 333 L N 0.761 121.991 121.223 0.012 0.000 2.042 333 L HA -0.161 4.293 4.340 0.190 0.000 0.210 333 L C 2.400 179.271 176.870 0.001 0.000 1.076 333 L CA 1.714 56.557 54.840 0.005 0.000 0.749 333 L CB -0.539 41.524 42.059 0.006 0.000 0.893 333 L HN 0.102 nan 8.230 nan 0.000 0.432 334 L N -1.102 120.124 121.223 0.005 0.000 2.093 334 L HA -0.212 4.242 4.340 0.190 0.000 0.208 334 L C 2.635 179.500 176.870 -0.008 0.000 1.085 334 L CA 1.565 56.404 54.840 -0.001 0.000 0.755 334 L CB -0.519 41.545 42.059 0.007 0.000 0.904 334 L HN 0.436 nan 8.230 nan 0.000 0.435 335 Q N -0.018 119.782 119.800 0.001 0.000 2.119 335 Q HA -0.225 4.229 4.340 0.190 0.000 0.201 335 Q C 1.630 177.625 176.000 -0.009 0.000 0.972 335 Q CA 1.679 57.481 55.803 -0.002 0.000 0.847 335 Q CB 0.124 28.870 28.738 0.014 0.000 0.903 335 Q HN 0.413 nan 8.270 nan 0.000 0.433 336 D N 0.231 120.627 120.400 -0.006 0.000 2.144 336 D HA -0.132 4.622 4.640 0.190 0.000 0.199 336 D C 1.628 177.917 176.300 -0.018 0.000 0.984 336 D CA 1.319 55.312 54.000 -0.012 0.000 0.834 336 D CB -0.221 40.572 40.800 -0.010 0.000 0.955 336 D HN 0.414 nan 8.370 nan 0.000 0.465 337 A N 0.264 123.074 122.820 -0.017 0.000 2.015 337 A HA -0.124 4.310 4.320 0.190 0.000 0.219 337 A C 2.120 179.693 177.584 -0.018 0.000 1.163 337 A CA 1.178 53.206 52.037 -0.015 0.000 0.646 337 A CB -0.238 18.754 19.000 -0.014 0.000 0.806 337 A HN 0.008 nan 8.150 nan 0.000 0.448 338 R N -1.356 119.123 120.500 -0.036 0.000 2.317 338 R HA 0.232 4.686 4.340 0.190 0.000 0.208 338 R C 1.036 177.319 176.300 -0.028 0.000 0.914 338 R CA 0.986 57.045 56.100 -0.067 0.000 1.060 338 R CB -0.021 30.196 30.300 -0.138 0.000 1.015 338 R HN 0.657 nan 8.270 nan 0.000 0.498 339 G N -2.159 106.635 108.800 -0.011 0.000 2.370 339 G HA2 -0.137 3.937 3.960 0.190 0.000 0.174 339 G HA3 -0.137 3.937 3.960 0.190 0.000 0.174 339 G C 0.422 175.316 174.900 -0.009 0.000 1.002 339 G CA -0.422 44.679 45.100 0.001 0.000 0.730 339 G HN 0.553 nan 8.290 nan 0.000 0.497 340 G N 0.617 109.413 108.800 -0.008 0.000 2.699 340 G HA2 0.475 4.550 3.960 0.190 0.000 0.246 340 G HA3 0.475 4.550 3.960 0.190 0.000 0.246 340 G C -0.208 174.682 174.900 -0.017 0.000 1.219 340 G CA 0.065 45.162 45.100 -0.004 0.000 0.866 340 G HN 0.120 nan 8.290 nan 0.000 0.572 341 P HA -0.031 nan 4.420 nan 0.000 0.231 341 P C 1.426 178.731 177.300 0.008 0.000 1.168 341 P CA 1.245 64.344 63.100 -0.001 0.000 0.779 341 P CB 0.153 31.851 31.700 -0.005 0.000 0.844 342 V N -4.550 115.368 119.914 0.007 0.000 3.635 342 V HA 0.362 4.596 4.120 0.190 0.000 0.266 342 V C 0.610 176.729 176.094 0.042 0.000 1.316 342 V CA 0.313 62.625 62.300 0.020 0.000 1.060 342 V CB -1.018 30.809 31.823 0.006 0.000 0.820 342 V HN -0.110 nan 8.190 nan 0.000 0.447 343 N N 0.950 119.672 118.700 0.038 0.000 2.553 343 N HA 0.502 5.356 4.740 0.190 0.000 0.298 343 N C 0.764 176.301 175.510 0.045 0.000 1.596 343 N CA 0.456 53.540 53.050 0.057 0.000 0.910 343 N CB 1.153 39.680 38.487 0.068 0.000 1.336 343 N HN 0.498 nan 8.380 nan 0.000 0.497 344 G N 0.017 108.839 108.800 0.037 0.000 3.936 344 G HA2 0.516 4.590 3.960 0.190 0.000 0.296 344 G HA3 0.516 4.590 3.960 0.190 0.000 0.296 344 G C 0.828 175.750 174.900 0.036 0.000 1.121 344 G CA 0.005 45.117 45.100 0.021 0.000 0.899 344 G HN 0.438 nan 8.290 nan 0.000 0.542 345 G N 0.291 109.128 108.800 0.063 0.000 2.598 345 G HA2 -0.236 3.838 3.960 0.190 0.000 0.244 345 G HA3 -0.236 3.838 3.960 0.190 0.000 0.244 345 G C -0.842 174.121 174.900 0.105 0.000 1.302 345 G CA -0.059 45.100 45.100 0.100 0.000 0.903 345 G HN 0.380 nan 8.290 nan 0.000 0.575 346 D N 0.463 120.946 120.400 0.139 0.000 2.425 346 D HA 0.479 5.234 4.640 0.190 0.000 0.240 346 D C 0.811 177.187 176.300 0.127 0.000 1.080 346 D CA -0.411 53.672 54.000 0.137 0.000 0.836 346 D CB 1.038 41.939 40.800 0.168 0.000 1.125 346 D HN 0.457 nan 8.370 nan 0.000 0.525 347 L N 2.235 123.514 121.223 0.094 0.000 2.559 347 L HA 0.021 4.475 4.340 0.190 0.000 0.282 347 L C 0.886 177.802 176.870 0.077 0.000 1.232 347 L CA 0.890 55.772 54.840 0.071 0.000 0.885 347 L CB 0.689 42.786 42.059 0.063 0.000 1.131 347 L HN 0.272 nan 8.230 nan 0.000 0.498 348 T N 0.208 114.780 114.554 0.029 0.000 2.933 348 T HA 0.362 4.826 4.350 0.190 0.000 0.305 348 T C 0.426 175.135 174.700 0.014 0.000 1.092 348 T CA -0.125 61.987 62.100 0.020 0.000 1.008 348 T CB 1.442 70.223 68.868 -0.144 0.000 1.102 348 T HN 0.728 nan 8.240 nan 0.000 0.469 349 T N 0.786 115.360 114.554 0.033 0.000 3.054 349 T HA 0.694 5.159 4.350 0.190 0.000 0.255 349 T C 0.592 175.295 174.700 0.005 0.000 1.035 349 T CA 0.247 62.359 62.100 0.021 0.000 0.941 349 T CB 0.238 69.116 68.868 0.017 0.000 1.026 349 T HN 0.764 nan 8.240 nan 0.000 0.533 350 A N 0.247 123.076 122.820 0.014 0.000 2.507 350 A HA 0.855 5.289 4.320 0.190 0.000 0.284 350 A C 0.430 178.030 177.584 0.026 0.000 1.281 350 A CA -0.824 51.212 52.037 0.000 0.000 0.744 350 A CB 0.521 19.514 19.000 -0.011 0.000 1.332 350 A HN 0.205 nan 8.150 nan 0.000 0.454 351 L N -1.069 120.144 121.223 -0.016 0.000 2.262 351 L HA 0.268 4.722 4.340 0.190 0.000 0.197 351 L C 0.255 177.219 176.870 0.158 0.000 1.073 351 L CA 0.258 55.121 54.840 0.039 0.000 0.800 351 L CB -0.395 41.587 42.059 -0.128 0.000 0.987 351 L HN 0.596 nan 8.230 nan 0.000 0.470 352 F N 1.900 121.877 119.950 0.045 0.000 2.608 352 F HA 0.066 4.707 4.527 0.190 0.000 0.380 352 F C -1.794 173.835 175.800 -0.284 0.000 1.083 352 F CA -2.057 55.756 58.000 -0.311 0.000 1.266 352 F CB -0.200 38.709 39.000 -0.150 0.000 1.076 352 F HN -0.168 nan 8.300 nan 0.000 0.574 353 P HA 0.009 nan 4.420 nan 0.000 0.272 353 P C -1.957 175.038 177.300 -0.509 0.000 1.223 353 P CA -1.213 61.433 63.100 -0.758 0.000 0.784 353 P CB 0.138 31.436 31.700 -0.670 0.000 0.923 354 P HA -0.123 nan 4.420 nan 0.000 0.231 354 P C 0.945 178.004 177.300 -0.402 0.000 1.158 354 P CA 1.295 63.898 63.100 -0.828 0.000 0.763 354 P CB -0.635 30.627 31.700 -0.731 0.000 0.805 355 T N -2.795 111.565 114.554 -0.323 0.000 2.995 355 T HA 0.026 4.490 4.350 0.190 0.000 0.269 355 T C 0.978 175.554 174.700 -0.206 0.000 1.091 355 T CA 0.348 62.317 62.100 -0.218 0.000 1.128 355 T CB -0.575 68.180 68.868 -0.189 0.000 0.891 355 T HN 0.032 nan 8.240 nan 0.000 0.492 356 L N 1.626 122.689 121.223 -0.266 0.000 2.312 356 L HA 0.329 4.783 4.340 0.190 0.000 0.281 356 L C -1.474 175.251 176.870 -0.242 0.000 1.070 356 L CA -2.496 52.162 54.840 -0.304 0.000 0.805 356 L CB 1.349 43.111 42.059 -0.496 0.000 1.174 356 L HN -0.140 nan 8.230 nan 0.000 0.434 357 P HA -0.221 nan 4.420 nan 0.000 0.217 357 P C 1.133 178.358 177.300 -0.126 0.000 1.151 357 P CA 1.371 64.397 63.100 -0.125 0.000 0.849 357 P CB 0.273 31.917 31.700 -0.093 0.000 0.787 358 A N -1.763 120.889 122.820 -0.279 0.000 2.206 358 A HA -0.121 4.313 4.320 0.190 0.000 0.211 358 A C 1.118 178.655 177.584 -0.078 0.000 1.158 358 A CA 0.051 51.951 52.037 -0.228 0.000 0.761 358 A CB -1.451 17.295 19.000 -0.423 0.000 0.801 358 A HN 0.235 nan 8.150 nan 0.000 0.473 359 H N 1.333 120.305 119.070 -0.162 0.000 3.167 359 H HA 0.081 4.752 4.556 0.191 0.000 0.306 359 H C -0.057 175.306 175.328 0.059 0.000 0.965 359 H CA 1.545 57.603 56.048 0.017 0.000 1.408 359 H CB 0.269 30.003 29.762 -0.047 0.000 1.406 359 H HN 0.692 nan 8.280 nan 0.000 0.576 360 Q N 3.629 123.194 119.800 -0.391 0.000 2.511 360 Q HA 0.277 4.731 4.340 0.190 0.000 0.289 360 Q C -1.532 174.299 176.000 -0.283 0.000 1.021 360 Q CA -1.225 54.441 55.803 -0.229 0.000 0.785 360 Q CB 1.402 30.115 28.738 -0.041 0.000 1.472 360 Q HN 0.414 nan 8.270 nan 0.000 0.411 361 D N 1.496 121.812 120.400 -0.140 0.000 2.358 361 D HA 0.394 5.148 4.640 0.190 0.000 0.258 361 D C -1.099 175.162 176.300 -0.065 0.000 1.223 361 D CA 0.227 54.176 54.000 -0.085 0.000 0.886 361 D CB 0.818 41.596 40.800 -0.037 0.000 1.120 361 D HN 0.409 nan 8.370 nan 0.000 0.482 362 L N 3.029 124.213 121.223 -0.065 0.000 2.596 362 L HA 0.331 4.785 4.340 0.190 0.000 0.265 362 L C -1.716 175.112 176.870 -0.071 0.000 0.962 362 L CA -0.362 54.439 54.840 -0.066 0.000 0.891 362 L CB 2.073 44.095 42.059 -0.061 0.000 1.248 362 L HN 0.070 nan 8.230 nan 0.000 0.410 363 D N 4.211 124.557 120.400 -0.090 0.000 2.517 363 D HA 0.278 5.032 4.640 0.190 0.000 0.263 363 D C 0.629 176.819 176.300 -0.183 0.000 1.233 363 D CA -0.203 53.738 54.000 -0.098 0.000 0.849 363 D CB 0.561 41.340 40.800 -0.035 0.000 1.261 363 D HN 0.558 nan 8.370 nan 0.000 0.516 364 L N 1.032 122.027 121.223 -0.380 0.000 2.217 364 L HA 0.019 4.473 4.340 0.190 0.000 0.211 364 L C 0.257 176.648 176.870 -0.799 0.000 1.107 364 L CA 0.821 55.253 54.840 -0.680 0.000 0.783 364 L CB -0.115 41.305 42.059 -1.064 0.000 0.919 364 L HN 0.372 nan 8.230 nan 0.000 0.442 365 Y N -0.828 119.384 120.300 -0.148 0.000 2.658 365 Y HA 0.359 5.023 4.550 0.190 0.000 0.362 365 Y C -2.298 173.547 175.900 -0.093 0.000 1.017 365 Y CA -2.733 55.141 58.100 -0.376 0.000 1.134 365 Y CB -0.043 37.946 38.460 -0.786 0.000 1.144 365 Y HN -0.068 nan 8.280 nan 0.000 0.655 366 P HA 0.016 nan 4.420 nan 0.000 0.269 366 P C 0.742 178.194 177.300 0.254 0.000 1.209 366 P CA 0.100 63.306 63.100 0.177 0.000 0.776 366 P CB 0.853 32.642 31.700 0.147 0.000 0.876 367 T N -0.821 113.834 114.554 0.168 0.000 3.258 367 T HA 0.519 4.983 4.350 0.190 0.000 0.263 367 T C 0.660 175.429 174.700 0.115 0.000 0.983 367 T CA -0.053 62.145 62.100 0.162 0.000 0.907 367 T CB -1.153 67.787 68.868 0.119 0.000 1.096 367 T HN 0.776 nan 8.240 nan 0.000 0.556 368 G N 2.825 111.689 108.800 0.106 0.000 2.756 368 G HA2 -0.099 3.975 3.960 0.190 0.000 0.678 368 G HA3 -0.099 3.975 3.960 0.190 0.000 0.678 368 G C -1.819 173.114 174.900 0.055 0.000 1.349 368 G CA -0.429 44.713 45.100 0.070 0.000 0.847 368 G HN 0.168 nan 8.290 nan 0.000 0.548 369 P HA 0.029 nan 4.420 nan 0.000 0.223 369 P C 0.865 178.185 177.300 0.033 0.000 1.151 369 P CA 1.994 65.114 63.100 0.035 0.000 0.787 369 P CB 0.008 31.724 31.700 0.027 0.000 0.788 370 D N -0.717 119.704 120.400 0.033 0.000 2.398 370 D HA 0.011 4.766 4.640 0.190 0.000 0.210 370 D C 1.000 177.321 176.300 0.035 0.000 1.094 370 D CA -0.436 53.583 54.000 0.030 0.000 0.839 370 D CB -0.802 40.013 40.800 0.025 0.000 0.963 370 D HN 0.082 nan 8.370 nan 0.000 0.506 371 L N -0.740 120.509 121.223 0.045 0.000 4.232 371 L HA -0.271 4.183 4.340 0.190 0.000 0.415 371 L C 1.149 178.049 176.870 0.050 0.000 1.168 371 L CA 0.440 55.310 54.840 0.051 0.000 0.966 371 L CB -1.494 40.593 42.059 0.046 0.000 2.052 371 L HN 0.157 nan 8.230 nan 0.000 0.887 372 R N 0.446 120.974 120.500 0.046 0.000 2.362 372 R HA 0.416 4.871 4.340 0.190 0.000 0.227 372 R C 0.915 177.245 176.300 0.050 0.000 0.905 372 R CA 0.592 56.716 56.100 0.041 0.000 1.067 372 R CB 1.011 31.329 30.300 0.030 0.000 1.078 372 R HN 0.450 nan 8.270 nan 0.000 0.516 373 G N 1.348 110.189 108.800 0.068 0.000 2.653 373 G HA2 -0.156 3.918 3.960 0.190 0.000 0.656 373 G HA3 -0.156 3.918 3.960 0.190 0.000 0.656 373 G C -1.826 173.128 174.900 0.090 0.000 1.419 373 G CA -0.931 44.222 45.100 0.089 0.000 0.862 373 G HN 0.056 nan 8.290 nan 0.000 0.639 374 D N 2.014 122.492 120.400 0.130 0.000 2.485 374 D HA 0.372 5.126 4.640 0.190 0.000 0.221 374 D C 1.780 178.098 176.300 0.030 0.000 1.112 374 D CA -0.631 53.413 54.000 0.073 0.000 0.911 374 D CB 0.589 41.436 40.800 0.079 0.000 1.019 374 D HN 0.308 nan 8.370 nan 0.000 0.516 375 L N 1.939 123.171 121.223 0.016 0.000 2.217 375 L HA -0.053 4.401 4.340 0.190 0.000 0.211 375 L C 1.509 178.362 176.870 -0.029 0.000 1.107 375 L CA 0.457 55.300 54.840 0.006 0.000 0.783 375 L CB -0.035 42.028 42.059 0.007 0.000 0.919 375 L HN 0.236 nan 8.230 nan 0.000 0.442 376 D N 0.883 121.254 120.400 -0.049 0.000 2.097 376 D HA -0.158 4.596 4.640 0.190 0.000 0.195 376 D C 2.274 178.497 176.300 -0.128 0.000 0.989 376 D CA 1.631 55.588 54.000 -0.070 0.000 0.827 376 D CB 0.024 40.787 40.800 -0.063 0.000 0.966 376 D HN 0.276 nan 8.370 nan 0.000 0.456 377 A N 0.979 123.659 122.820 -0.234 0.000 1.902 377 A HA -0.026 4.408 4.320 0.190 0.000 0.217 377 A C 2.309 179.684 177.584 -0.348 0.000 1.181 377 A CA 2.206 53.956 52.037 -0.479 0.000 0.623 377 A CB -0.727 17.618 19.000 -1.091 0.000 0.818 377 A HN 0.232 nan 8.150 nan 0.000 0.443 378 A N -0.145 122.588 122.820 -0.145 0.000 1.902 378 A HA -0.183 4.251 4.320 0.190 0.000 0.217 378 A C 2.251 179.855 177.584 0.033 0.000 1.181 378 A CA 1.620 53.693 52.037 0.061 0.000 0.623 378 A CB -0.471 18.594 19.000 0.109 0.000 0.818 378 A HN 0.547 nan 8.150 nan 0.000 0.443 379 R N -0.675 119.820 120.500 -0.008 0.000 2.092 379 R HA -0.040 4.414 4.340 0.190 0.000 0.231 379 R C 2.452 178.745 176.300 -0.012 0.000 1.119 379 R CA 1.084 57.181 56.100 -0.005 0.000 0.970 379 R CB -0.414 29.876 30.300 -0.016 0.000 0.864 379 R HN 0.523 nan 8.270 nan 0.000 0.440 380 A N 1.278 124.075 122.820 -0.038 0.000 1.902 380 A HA -0.158 4.276 4.320 0.190 0.000 0.217 380 A C 1.867 179.438 177.584 -0.023 0.000 1.181 380 A CA 1.217 53.228 52.037 -0.042 0.000 0.623 380 A CB -0.186 18.774 19.000 -0.067 0.000 0.818 380 A HN 0.157 nan 8.150 nan 0.000 0.443 381 E N 0.161 120.378 120.200 0.027 0.000 2.077 381 E HA -0.146 4.318 4.350 0.190 0.000 0.193 381 E C 2.079 178.727 176.600 0.080 0.000 0.989 381 E CA 0.925 57.387 56.400 0.103 0.000 0.800 381 E CB -0.489 29.344 29.700 0.221 0.000 0.746 381 E HN 0.671 nan 8.360 nan 0.000 0.452 382 L N 0.634 121.903 121.223 0.076 0.000 2.042 382 L HA -0.207 4.247 4.340 0.190 0.000 0.210 382 L C 2.589 179.476 176.870 0.029 0.000 1.076 382 L CA 1.266 56.152 54.840 0.078 0.000 0.749 382 L CB -0.570 41.539 42.059 0.084 0.000 0.893 382 L HN 0.080 nan 8.230 nan 0.000 0.432 383 A N -0.049 122.770 122.820 -0.002 0.000 1.908 383 A HA -0.210 4.225 4.320 0.190 0.000 0.218 383 A C 2.505 180.049 177.584 -0.066 0.000 1.181 383 A CA 1.801 53.821 52.037 -0.028 0.000 0.627 383 A CB -0.735 18.244 19.000 -0.035 0.000 0.818 383 A HN 0.428 nan 8.150 nan 0.000 0.445 384 A N -0.429 122.318 122.820 -0.122 0.000 2.019 384 A HA 0.202 4.636 4.320 0.190 0.000 0.219 384 A C 2.278 179.759 177.584 -0.171 0.000 1.164 384 A CA 1.809 53.686 52.037 -0.267 0.000 0.644 384 A CB -0.712 17.899 19.000 -0.649 0.000 0.805 384 A HN 1.100 nan 8.150 nan 0.000 0.449 385 A N -1.783 121.009 122.820 -0.046 0.000 2.208 385 A HA 0.402 4.836 4.320 0.190 0.000 0.209 385 A C 1.809 179.377 177.584 -0.026 0.000 1.161 385 A CA 1.187 53.227 52.037 0.006 0.000 0.782 385 A CB -0.912 18.096 19.000 0.013 0.000 0.816 385 A HN 1.866 nan 8.150 nan 0.000 0.477 386 G N -1.302 107.480 108.800 -0.029 0.000 2.147 386 G HA2 -0.212 3.862 3.960 0.190 0.000 0.244 386 G HA3 -0.212 3.862 3.960 0.190 0.000 0.244 386 G C 0.124 175.017 174.900 -0.012 0.000 1.005 386 G CA 0.461 45.547 45.100 -0.024 0.000 0.713 386 G HN 0.646 nan 8.290 nan 0.000 0.515 387 L N 0.295 121.522 121.223 0.006 0.000 2.783 387 L HA 0.269 4.723 4.340 0.190 0.000 0.265 387 L C -0.961 175.948 176.870 0.065 0.000 1.398 387 L CA -1.506 53.362 54.840 0.047 0.000 0.802 387 L CB 1.303 43.409 42.059 0.079 0.000 1.126 387 L HN -0.045 nan 8.230 nan 0.000 0.529 388 P HA -0.142 nan 4.420 nan 0.000 0.220 388 P C 0.397 177.711 177.300 0.022 0.000 1.148 388 P CA 1.231 64.344 63.100 0.021 0.000 0.803 388 P CB 0.402 32.105 31.700 0.004 0.000 0.782 389 D N -0.830 119.586 120.400 0.026 0.000 2.349 389 D HA 0.232 4.986 4.640 0.190 0.000 0.214 389 D C 1.421 177.724 176.300 0.005 0.000 1.063 389 D CA 0.778 54.785 54.000 0.012 0.000 0.847 389 D CB 0.621 41.426 40.800 0.009 0.000 0.933 389 D HN 0.184 nan 8.370 nan 0.000 0.513 390 G N 0.932 109.756 108.800 0.040 0.000 2.500 390 G HA2 0.026 4.100 3.960 0.190 0.000 0.209 390 G HA3 0.026 4.100 3.960 0.190 0.000 0.209 390 G C -0.667 174.307 174.900 0.124 0.000 1.283 390 G CA -0.445 44.649 45.100 -0.010 0.000 0.960 390 G HN 0.276 nan 8.290 nan 0.000 0.528 391 F N -2.899 117.029 119.950 -0.037 0.000 2.858 391 F HA 0.840 5.481 4.527 0.190 0.000 0.319 391 F C -0.610 175.179 175.800 -0.019 0.000 1.166 391 F CA -1.515 56.460 58.000 -0.042 0.000 0.899 391 F CB 0.741 39.688 39.000 -0.087 0.000 1.332 391 F HN 0.667 nan 8.300 nan 0.000 0.461 392 R N 1.203 121.840 120.500 0.228 0.000 2.532 392 R HA 0.928 5.382 4.340 0.190 0.000 0.295 392 R C -0.892 175.589 176.300 0.302 0.000 0.968 392 R CA -0.853 55.334 56.100 0.144 0.000 0.916 392 R CB 1.815 32.172 30.300 0.095 0.000 1.124 392 R HN 1.039 nan 8.270 nan 0.000 0.463 393 A N 1.680 124.642 122.820 0.238 0.000 2.568 393 A HA 0.659 5.093 4.320 0.190 0.000 0.291 393 A C -1.500 176.202 177.584 0.195 0.000 1.159 393 A CA -0.616 51.617 52.037 0.326 0.000 0.679 393 A CB 1.683 21.072 19.000 0.647 0.000 1.285 393 A HN 0.358 nan 8.150 nan 0.000 0.428 394 V N 0.875 120.895 119.914 0.177 0.000 2.540 394 V HA 0.531 4.765 4.120 0.190 0.000 0.302 394 V C -0.553 175.567 176.094 0.043 0.000 1.035 394 V CA -0.305 62.049 62.300 0.091 0.000 0.873 394 V CB 1.578 33.448 31.823 0.077 0.000 0.992 394 V HN 0.776 nan 8.190 nan 0.000 0.428 395 I N 3.175 123.757 120.570 0.020 0.000 2.354 395 I HA 0.757 5.041 4.170 0.190 0.000 0.292 395 I C 0.689 176.802 176.117 -0.006 0.000 0.989 395 I CA -0.075 61.216 61.300 -0.015 0.000 1.188 395 I CB 1.167 39.159 38.000 -0.014 0.000 1.342 395 I HN 0.754 nan 8.210 nan 0.000 0.457 396 G N 4.416 113.210 108.800 -0.009 0.000 2.377 396 G HA2 0.546 4.620 3.960 0.190 0.000 0.299 396 G HA3 0.546 4.620 3.960 0.190 0.000 0.299 396 G C -0.682 174.280 174.900 0.105 0.000 1.150 396 G CA -0.124 44.994 45.100 0.031 0.000 0.847 396 G HN 0.618 nan 8.290 nan 0.000 0.501 397 T N 0.074 114.715 114.554 0.145 0.000 2.711 397 T HA 0.447 4.911 4.350 0.190 0.000 0.302 397 T C -1.044 173.631 174.700 -0.042 0.000 1.373 397 T CA -0.586 61.584 62.100 0.117 0.000 1.000 397 T CB 1.319 70.216 68.868 0.048 0.000 1.483 397 T HN 0.536 nan 8.240 nan 0.000 0.499 398 Q N 0.891 120.535 119.800 -0.260 0.000 2.215 398 Q HA 0.563 5.017 4.340 0.190 0.000 0.256 398 Q C -0.249 175.643 176.000 -0.179 0.000 0.972 398 Q CA -0.912 54.652 55.803 -0.398 0.000 0.889 398 Q CB 1.377 29.669 28.738 -0.744 0.000 1.281 398 Q HN 0.411 nan 8.270 nan 0.000 0.456 399 R N 0.074 120.472 120.500 -0.170 0.000 2.679 399 R HA 0.298 4.752 4.340 0.190 0.000 0.268 399 R C 0.505 176.730 176.300 -0.124 0.000 1.044 399 R CA 1.310 57.342 56.100 -0.113 0.000 1.105 399 R CB 0.187 30.428 30.300 -0.098 0.000 0.989 399 R HN 0.904 nan 8.270 nan 0.000 0.447 400 G N 1.581 110.341 108.800 -0.068 0.000 2.516 400 G HA2 -0.284 3.790 3.960 0.190 0.000 0.220 400 G HA3 -0.284 3.790 3.960 0.190 0.000 0.220 400 G C 0.265 175.168 174.900 0.005 0.000 1.165 400 G CA 0.119 45.186 45.100 -0.054 0.000 1.013 400 G HN 0.512 nan 8.290 nan 0.000 0.590 401 K N -0.074 120.341 120.400 0.026 0.000 2.147 401 K HA 0.211 4.645 4.320 0.190 0.000 0.205 401 K C 2.384 179.121 176.600 0.229 0.000 1.049 401 K CA 2.086 58.441 56.287 0.113 0.000 0.936 401 K CB -0.477 32.096 32.500 0.121 0.000 0.722 401 K HN 0.323 nan 8.250 nan 0.000 0.446 402 F N 0.563 120.470 119.950 -0.070 0.000 2.171 402 F HA -0.062 4.579 4.527 0.190 0.000 0.300 402 F C 2.271 178.025 175.800 -0.077 0.000 1.090 402 F CA 1.028 58.979 58.000 -0.082 0.000 1.293 402 F CB -0.635 38.262 39.000 -0.171 0.000 1.013 402 F HN 0.032 nan 8.300 nan 0.000 0.486 403 R N 0.864 121.432 120.500 0.113 0.000 2.075 403 R HA -0.092 4.362 4.340 0.190 0.000 0.232 403 R C 2.087 178.401 176.300 0.024 0.000 1.126 403 R CA 1.358 57.481 56.100 0.038 0.000 0.963 403 R CB -0.973 29.331 30.300 0.007 0.000 0.858 403 R HN 0.310 nan 8.270 nan 0.000 0.435 404 L N -0.374 120.868 121.223 0.031 0.000 2.042 404 L HA -0.176 4.278 4.340 0.190 0.000 0.210 404 L C 2.304 179.177 176.870 0.004 0.000 1.076 404 L CA 1.268 56.117 54.840 0.016 0.000 0.749 404 L CB -0.586 41.486 42.059 0.021 0.000 0.893 404 L HN 0.046 nan 8.230 nan 0.000 0.432 405 V N 0.114 120.029 119.914 0.002 0.000 2.295 405 V HA -0.291 3.943 4.120 0.190 0.000 0.246 405 V C 2.796 178.873 176.094 -0.029 0.000 1.049 405 V CA 1.793 64.076 62.300 -0.028 0.000 1.024 405 V CB -0.892 30.886 31.823 -0.074 0.000 0.648 405 V HN 0.485 nan 8.190 nan 0.000 0.447 406 A N 0.028 122.834 122.820 -0.023 0.000 1.883 406 A HA -0.289 4.145 4.320 0.190 0.000 0.217 406 A C 1.991 179.569 177.584 -0.010 0.000 1.186 406 A CA 2.194 54.220 52.037 -0.019 0.000 0.624 406 A CB -0.705 18.290 19.000 -0.008 0.000 0.822 406 A HN 0.551 nan 8.150 nan 0.000 0.444 407 D N 0.002 120.398 120.400 -0.006 0.000 2.144 407 D HA -0.066 4.688 4.640 0.190 0.000 0.199 407 D C 2.171 178.467 176.300 -0.007 0.000 0.984 407 D CA 1.528 55.525 54.000 -0.006 0.000 0.834 407 D CB -0.440 40.357 40.800 -0.005 0.000 0.955 407 D HN 0.454 nan 8.370 nan 0.000 0.465 408 A N 0.500 123.316 122.820 -0.007 0.000 1.969 408 A HA -0.093 4.341 4.320 0.190 0.000 0.218 408 A C 2.487 180.069 177.584 -0.003 0.000 1.169 408 A CA 0.894 52.928 52.037 -0.006 0.000 0.635 408 A CB -0.484 18.512 19.000 -0.007 0.000 0.810 408 A HN 0.146 nan 8.150 nan 0.000 0.445 409 V N -0.442 119.468 119.914 -0.005 0.000 2.307 409 V HA -0.210 4.024 4.120 0.190 0.000 0.245 409 V C 2.554 178.648 176.094 -0.001 0.000 1.045 409 V CA 1.850 64.150 62.300 -0.000 0.000 1.024 409 V CB -0.862 30.959 31.823 -0.004 0.000 0.651 409 V HN 0.360 nan 8.190 nan 0.000 0.449 410 V N 0.155 120.066 119.914 -0.005 0.000 2.252 410 V HA -0.353 3.881 4.120 0.190 0.000 0.249 410 V C 2.479 178.565 176.094 -0.014 0.000 1.056 410 V CA 2.581 64.875 62.300 -0.010 0.000 1.022 410 V CB -0.624 31.194 31.823 -0.008 0.000 0.641 410 V HN 0.674 nan 8.190 nan 0.000 0.445 411 E N -0.050 120.144 120.200 -0.010 0.000 2.077 411 E HA -0.199 4.265 4.350 0.190 0.000 0.193 411 E C 2.346 178.941 176.600 -0.008 0.000 0.989 411 E CA 1.564 57.959 56.400 -0.009 0.000 0.800 411 E CB -0.099 29.597 29.700 -0.006 0.000 0.746 411 E HN 0.607 nan 8.360 nan 0.000 0.452 412 S N 0.678 116.377 115.700 -0.002 0.000 2.353 412 S HA -0.135 4.449 4.470 0.190 0.000 0.222 412 S C 1.930 176.530 174.600 -0.001 0.000 1.035 412 S CA 1.129 59.332 58.200 0.006 0.000 1.025 412 S CB -0.207 63.002 63.200 0.015 0.000 0.902 412 S HN 0.301 nan 8.310 nan 0.000 0.440 413 L N 0.969 122.186 121.223 -0.011 0.000 2.313 413 L HA 0.060 4.514 4.340 0.190 0.000 0.214 413 L C 2.658 179.491 176.870 -0.062 0.000 1.119 413 L CA 0.704 55.525 54.840 -0.032 0.000 0.809 413 L CB -0.712 41.324 42.059 -0.038 0.000 0.933 413 L HN 0.300 nan 8.230 nan 0.000 0.449 414 A N 0.633 123.423 122.820 -0.051 0.000 2.024 414 A HA -0.198 4.236 4.320 0.190 0.000 0.220 414 A C 2.329 179.886 177.584 -0.045 0.000 1.164 414 A CA 1.262 53.266 52.037 -0.055 0.000 0.643 414 A CB -0.449 18.528 19.000 -0.038 0.000 0.806 414 A HN 0.363 nan 8.150 nan 0.000 0.451 415 R N -0.594 119.888 120.500 -0.030 0.000 2.193 415 R HA -0.069 4.385 4.340 0.190 0.000 0.229 415 R C 1.163 177.449 176.300 -0.024 0.000 1.110 415 R CA 1.449 57.536 56.100 -0.020 0.000 0.988 415 R CB -0.311 29.985 30.300 -0.007 0.000 0.871 415 R HN 0.599 nan 8.270 nan 0.000 0.458 416 V N -4.163 115.729 119.914 -0.036 0.000 3.085 416 V HA 0.509 4.744 4.120 0.190 0.000 0.345 416 V C 0.759 176.813 176.094 -0.068 0.000 1.397 416 V CA 0.145 62.423 62.300 -0.037 0.000 1.165 416 V CB 0.367 32.180 31.823 -0.017 0.000 1.153 416 V HN 0.321 nan 8.190 nan 0.000 0.495 417 G N 1.332 110.082 108.800 -0.083 0.000 2.143 417 G HA2 -0.246 3.828 3.960 0.190 0.000 0.249 417 G HA3 -0.246 3.828 3.960 0.190 0.000 0.249 417 G C -0.046 174.732 174.900 -0.204 0.000 0.981 417 G CA 0.343 45.380 45.100 -0.105 0.000 0.665 417 G HN 0.656 nan 8.290 nan 0.000 0.528 418 I N 1.513 121.916 120.570 -0.277 0.000 2.308 418 I HA 0.248 4.532 4.170 0.190 0.000 0.293 418 I C 0.297 176.241 176.117 -0.288 0.000 1.078 418 I CA -0.086 60.912 61.300 -0.502 0.000 1.292 418 I CB 0.670 38.323 38.000 -0.577 0.000 1.423 418 I HN 0.131 nan 8.210 nan 0.000 0.493 419 E N 7.686 127.739 120.200 -0.245 0.000 2.046 419 E HA 0.439 4.904 4.350 0.190 0.000 0.279 419 E C -0.864 175.699 176.600 -0.062 0.000 0.989 419 E CA -0.395 55.938 56.400 -0.111 0.000 0.798 419 E CB 1.271 30.930 29.700 -0.069 0.000 1.086 419 E HN 0.505 nan 8.360 nan 0.000 0.399 420 L N 2.684 123.887 121.223 -0.034 0.000 2.322 420 L HA 0.466 4.921 4.340 0.190 0.000 0.279 420 L C 0.542 177.420 176.870 0.013 0.000 1.036 420 L CA -0.748 54.099 54.840 0.011 0.000 0.807 420 L CB 1.554 43.624 42.059 0.018 0.000 1.226 420 L HN 0.519 nan 8.230 nan 0.000 0.433 421 T N -0.780 113.791 114.554 0.028 0.000 2.950 421 T HA 0.688 5.153 4.350 0.190 0.000 0.288 421 T C -0.391 174.320 174.700 0.019 0.000 1.035 421 T CA -0.770 61.342 62.100 0.020 0.000 1.028 421 T CB 2.121 71.003 68.868 0.024 0.000 1.109 421 T HN 0.186 nan 8.240 nan 0.000 0.514 422 V N 1.840 121.759 119.914 0.008 0.000 2.398 422 V HA 0.623 4.857 4.120 0.190 0.000 0.286 422 V C -0.145 175.944 176.094 -0.008 0.000 1.026 422 V CA -0.849 61.451 62.300 0.001 0.000 0.868 422 V CB 1.341 33.162 31.823 -0.003 0.000 0.982 422 V HN 0.967 nan 8.190 nan 0.000 0.443 423 K N 4.016 124.407 120.400 -0.015 0.000 2.367 423 K HA 0.420 4.854 4.320 0.190 0.000 0.263 423 K C -0.218 176.351 176.600 -0.051 0.000 1.000 423 K CA -0.152 56.106 56.287 -0.049 0.000 0.891 423 K CB 0.914 33.371 32.500 -0.072 0.000 1.117 423 K HN 0.735 nan 8.250 nan 0.000 0.443 424 E N 4.072 124.237 120.200 -0.058 0.000 2.283 424 E HA 0.289 4.753 4.350 0.190 0.000 0.278 424 E C -0.498 176.062 176.600 -0.066 0.000 1.027 424 E CA -0.500 55.870 56.400 -0.049 0.000 0.843 424 E CB 1.058 30.727 29.700 -0.052 0.000 1.062 424 E HN 0.458 nan 8.360 nan 0.000 0.401 425 L N 1.708 122.924 121.223 -0.012 0.000 2.333 425 L HA 0.315 4.769 4.340 0.190 0.000 0.269 425 L C 0.210 177.085 176.870 0.007 0.000 1.010 425 L CA -1.183 53.662 54.840 0.008 0.000 0.818 425 L CB 1.388 43.510 42.059 0.105 0.000 1.306 425 L HN 0.464 nan 8.230 nan 0.000 0.430 426 D N 0.652 121.048 120.400 -0.007 0.000 2.533 426 D HA -0.026 4.728 4.640 0.190 0.000 0.236 426 D C 0.889 177.170 176.300 -0.031 0.000 1.137 426 D CA 0.247 54.233 54.000 -0.024 0.000 0.867 426 D CB 1.642 42.433 40.800 -0.015 0.000 1.170 426 D HN 0.225 nan 8.370 nan 0.000 0.474 427 V N 4.725 124.586 119.914 -0.088 0.000 2.295 427 V HA -0.251 3.983 4.120 0.190 0.000 0.246 427 V C 2.408 178.458 176.094 -0.072 0.000 1.049 427 V CA 2.222 64.431 62.300 -0.152 0.000 1.024 427 V CB -0.777 30.948 31.823 -0.163 0.000 0.648 427 V HN 0.748 nan 8.190 nan 0.000 0.447 428 A N 0.453 123.262 122.820 -0.017 0.000 1.972 428 A HA -0.183 4.251 4.320 0.190 0.000 0.219 428 A C 2.165 179.791 177.584 0.070 0.000 1.169 428 A CA 2.300 54.362 52.037 0.041 0.000 0.635 428 A CB -0.660 18.363 19.000 0.039 0.000 0.810 428 A HN 0.652 nan 8.150 nan 0.000 0.446 429 T N -5.273 109.301 114.554 0.034 0.000 3.174 429 T HA 0.167 4.631 4.350 0.190 0.000 0.269 429 T C 1.122 175.806 174.700 -0.027 0.000 1.017 429 T CA 0.143 62.262 62.100 0.032 0.000 0.899 429 T CB -0.412 68.467 68.868 0.018 0.000 1.077 429 T HN 0.307 nan 8.240 nan 0.000 0.552 430 Y N 1.778 121.906 120.300 -0.286 0.000 2.207 430 Y HA -0.026 4.638 4.550 0.190 0.000 0.287 430 Y C 1.184 176.750 175.900 -0.558 0.000 1.156 430 Y CA 1.005 58.797 58.100 -0.513 0.000 1.182 430 Y CB -0.360 37.606 38.460 -0.823 0.000 0.979 430 Y HN 0.399 nan 8.280 nan 0.000 0.521 431 F N -1.609 118.314 119.950 -0.044 0.000 2.619 431 F HA 0.010 4.653 4.527 0.192 0.000 0.293 431 F C 2.496 178.175 175.800 -0.203 0.000 1.119 431 F CA 0.603 58.467 58.000 -0.226 0.000 1.445 431 F CB -0.461 38.496 39.000 -0.072 0.000 1.119 431 F HN 0.014 nan 8.300 nan 0.000 0.573 432 S N -0.091 115.642 115.700 0.056 0.000 2.404 432 S HA 0.107 4.691 4.470 0.190 0.000 0.223 432 S C 1.408 176.036 174.600 0.047 0.000 1.040 432 S CA 0.576 58.804 58.200 0.047 0.000 0.957 432 S CB -0.343 62.906 63.200 0.082 0.000 0.826 432 S HN 0.382 nan 8.310 nan 0.000 0.491 433 L N 0.295 121.522 121.223 0.007 0.000 3.039 433 L HA 0.457 4.911 4.340 0.190 0.000 0.269 433 L C 1.723 178.560 176.870 -0.054 0.000 1.169 433 L CA 0.178 55.025 54.840 0.012 0.000 0.986 433 L CB 0.414 42.466 42.059 -0.012 0.000 1.377 433 L HN 0.443 nan 8.230 nan 0.000 0.575 434 G N -0.237 108.471 108.800 -0.154 0.000 3.226 434 G HA2 0.249 4.323 3.960 0.190 0.000 0.190 434 G HA3 0.249 4.323 3.960 0.190 0.000 0.190 434 G C 1.335 176.017 174.900 -0.364 0.000 1.988 434 G CA 0.589 45.535 45.100 -0.257 0.000 0.859 434 G HN 0.087 nan 8.290 nan 0.000 0.631 435 A N -0.089 122.265 122.820 -0.776 0.000 1.978 435 A HA 0.142 4.576 4.320 0.190 0.000 0.220 435 A C 2.360 179.684 177.584 -0.433 0.000 1.170 435 A CA 2.141 53.792 52.037 -0.644 0.000 0.636 435 A CB -0.898 17.516 19.000 -0.976 0.000 0.810 435 A HN 0.897 nan 8.150 nan 0.000 0.448 436 G N -2.444 106.082 108.800 -0.456 0.000 3.026 436 G HA2 0.100 4.174 3.960 0.190 0.000 0.208 436 G HA3 0.100 4.174 3.960 0.190 0.000 0.208 436 G C 0.376 175.151 174.900 -0.208 0.000 1.169 436 G CA 0.113 44.993 45.100 -0.366 0.000 0.788 436 G HN 0.549 nan 8.290 nan 0.000 0.533 437 H N 0.187 119.133 119.070 -0.206 0.000 2.708 437 H HA 0.302 4.972 4.556 0.190 0.000 0.320 437 H C -1.935 173.329 175.328 -0.107 0.000 0.991 437 H CA -1.927 54.041 56.048 -0.133 0.000 1.243 437 H CB 2.653 32.354 29.762 -0.102 0.000 1.446 437 H HN -0.096 nan 8.280 nan 0.000 0.502 438 P HA -0.185 nan 4.420 nan 0.000 0.217 438 P C 1.271 178.629 177.300 0.098 0.000 1.148 438 P CA 1.222 64.319 63.100 -0.005 0.000 0.834 438 P CB 0.583 32.206 31.700 -0.128 0.000 0.783 439 E N -1.158 119.212 120.200 0.282 0.000 2.107 439 E HA -0.109 4.355 4.350 0.190 0.000 0.191 439 E C 1.780 178.386 176.600 0.010 0.000 0.982 439 E CA 1.531 57.996 56.400 0.107 0.000 0.809 439 E CB -1.002 28.734 29.700 0.059 0.000 0.756 439 E HN 0.101 nan 8.360 nan 0.000 0.459 440 T N -0.264 114.297 114.554 0.012 0.000 2.777 440 T HA -0.106 4.359 4.350 0.190 0.000 0.266 440 T C 1.872 176.619 174.700 0.078 0.000 1.040 440 T CA 1.243 63.349 62.100 0.011 0.000 1.141 440 T CB -0.290 68.587 68.868 0.015 0.000 0.868 440 T HN 0.001 nan 8.240 nan 0.000 0.444 441 V N 1.496 121.452 119.914 0.069 0.000 2.332 441 V HA -0.214 4.020 4.120 0.190 0.000 0.248 441 V C 2.606 178.753 176.094 0.087 0.000 1.055 441 V CA 1.736 64.082 62.300 0.077 0.000 1.038 441 V CB -0.551 31.330 31.823 0.098 0.000 0.651 441 V HN 0.381 nan 8.190 nan 0.000 0.450 442 R N -0.355 120.193 120.500 0.081 0.000 2.073 442 R HA -0.142 4.312 4.340 0.190 0.000 0.229 442 R C 2.425 178.719 176.300 -0.011 0.000 1.120 442 R CA 1.449 57.586 56.100 0.061 0.000 0.967 442 R CB -0.334 29.999 30.300 0.054 0.000 0.862 442 R HN 0.638 nan 8.270 nan 0.000 0.436 443 E N 0.216 120.364 120.200 -0.087 0.000 2.097 443 E HA -0.226 4.238 4.350 0.190 0.000 0.196 443 E C 1.118 177.538 176.600 -0.300 0.000 1.000 443 E CA 1.291 57.546 56.400 -0.241 0.000 0.804 443 E CB 0.106 29.567 29.700 -0.398 0.000 0.740 443 E HN 0.501 nan 8.360 nan 0.000 0.454 444 H N -1.450 117.619 119.070 -0.002 0.000 2.551 444 H HA 0.188 4.858 4.556 0.190 0.000 0.271 444 H C 0.803 176.137 175.328 0.011 0.000 0.984 444 H CA 0.672 56.721 56.048 0.001 0.000 1.164 444 H CB 0.965 30.723 29.762 -0.007 0.000 1.437 444 H HN 0.338 nan 8.280 nan 0.000 0.550 445 G N 1.958 110.813 108.800 0.092 0.000 2.350 445 G HA2 -0.261 3.813 3.960 0.190 0.000 0.298 445 G HA3 -0.261 3.813 3.960 0.190 0.000 0.298 445 G C 0.048 174.987 174.900 0.066 0.000 1.037 445 G CA -0.095 45.049 45.100 0.073 0.000 1.074 445 G HN 0.345 nan 8.290 nan 0.000 0.511 446 L N 0.907 122.152 121.223 0.036 0.000 2.358 446 L HA 0.407 4.861 4.340 0.190 0.000 0.274 446 L C 1.918 178.707 176.870 -0.135 0.000 1.136 446 L CA 0.012 54.839 54.840 -0.021 0.000 0.970 446 L CB 0.386 42.436 42.059 -0.014 0.000 1.314 446 L HN 0.314 nan 8.230 nan 0.000 0.427 447 G N 3.476 112.171 108.800 -0.175 0.000 2.443 447 G HA2 0.022 4.096 3.960 0.190 0.000 0.219 447 G HA3 0.022 4.096 3.960 0.190 0.000 0.219 447 G C 0.481 174.833 174.900 -0.914 0.000 1.131 447 G CA 0.428 45.201 45.100 -0.545 0.000 0.775 447 G HN 0.329 nan 8.290 nan 0.000 0.547 448 L N -0.526 120.388 121.223 -0.515 0.000 2.370 448 L HA 0.691 5.145 4.340 0.190 0.000 0.266 448 L C -0.637 176.124 176.870 -0.182 0.000 1.002 448 L CA -0.576 54.049 54.840 -0.358 0.000 0.818 448 L CB 2.519 44.427 42.059 -0.252 0.000 1.325 448 L HN -0.135 nan 8.230 nan 0.000 0.418 449 L N 2.081 123.221 121.223 -0.139 0.000 2.436 449 L HA 0.619 5.073 4.340 0.190 0.000 0.268 449 L C -1.006 175.799 176.870 -0.108 0.000 0.974 449 L CA -0.831 53.957 54.840 -0.086 0.000 0.826 449 L CB 2.424 44.425 42.059 -0.096 0.000 1.291 449 L HN 0.223 nan 8.230 nan 0.000 0.406 450 V N 1.755 121.618 119.914 -0.084 0.000 2.432 450 V HA 0.655 4.889 4.120 0.190 0.000 0.275 450 V C 0.175 176.079 176.094 -0.316 0.000 1.043 450 V CA -0.012 62.138 62.300 -0.251 0.000 0.925 450 V CB 1.429 33.081 31.823 -0.286 0.000 0.985 450 V HN 0.862 nan 8.190 nan 0.000 0.466 451 T N 2.818 117.047 114.554 -0.541 0.000 2.762 451 T HA 0.498 4.963 4.350 0.190 0.000 0.301 451 T C -2.165 172.351 174.700 -0.306 0.000 1.299 451 T CA -0.606 61.319 62.100 -0.292 0.000 1.005 451 T CB 1.926 70.837 68.868 0.073 0.000 1.377 451 T HN 0.905 nan 8.240 nan 0.000 0.504 452 D N 0.251 120.831 120.400 0.299 0.000 2.547 452 D HA 0.457 5.211 4.640 0.190 0.000 0.231 452 D C -1.292 175.343 176.300 0.559 0.000 1.099 452 D CA -0.677 53.499 54.000 0.294 0.000 0.901 452 D CB 1.650 42.535 40.800 0.140 0.000 1.478 452 D HN 0.675 nan 8.370 nan 0.000 0.471 453 W N 1.136 122.549 121.300 0.188 0.000 3.274 453 W HA 0.549 5.324 4.660 0.192 0.000 0.327 453 W C -1.962 174.211 176.519 -0.576 0.000 1.172 453 W CA -0.794 56.411 57.345 -0.234 0.000 1.217 453 W CB 2.222 31.575 29.460 -0.179 0.000 1.376 453 W HN 0.671 nan 8.180 nan 0.000 0.507 454 G N 2.478 110.012 108.800 -2.109 0.000 2.566 454 G HA2 0.607 4.681 3.960 0.190 0.000 0.311 454 G HA3 0.607 4.681 3.960 0.190 0.000 0.311 454 G C -0.962 172.587 174.900 -2.253 0.000 1.322 454 G CA -0.616 43.056 45.100 -2.381 0.000 0.969 454 G HN 0.736 nan 8.290 nan 0.000 0.490 455 A N 1.309 123.315 122.820 -1.358 0.000 2.483 455 A HA 0.381 4.815 4.320 0.190 0.000 0.238 455 A C 0.873 178.072 177.584 -0.641 0.000 1.070 455 A CA -0.109 51.392 52.037 -0.895 0.000 0.770 455 A CB 0.343 19.104 19.000 -0.398 0.000 1.008 455 A HN 0.580 nan 8.150 nan 0.000 0.497 456 D N -0.133 119.998 120.400 -0.447 0.000 2.347 456 D HA 0.160 4.914 4.640 0.190 0.000 0.213 456 D C -0.192 176.051 176.300 -0.096 0.000 0.985 456 D CA 1.304 55.252 54.000 -0.087 0.000 0.879 456 D CB -0.157 40.784 40.800 0.235 0.000 0.919 456 D HN 0.527 nan 8.370 nan 0.000 0.526 457 F N -2.205 117.591 119.950 -0.257 0.000 2.628 457 F HA 0.422 5.065 4.527 0.193 0.000 0.309 457 F C -2.779 172.858 175.800 -0.271 0.000 1.108 457 F CA -2.530 55.319 58.000 -0.252 0.000 0.971 457 F CB 1.140 40.021 39.000 -0.197 0.000 1.279 457 F HN -0.382 nan 8.300 nan 0.000 0.441 458 P HA 0.156 nan 4.420 nan 0.000 0.226 458 P C -0.546 176.627 177.300 -0.211 0.000 1.783 458 P CA 0.246 63.233 63.100 -0.188 0.000 0.980 458 P CB -0.068 31.548 31.700 -0.140 0.000 1.967 459 T N -2.930 111.450 114.554 -0.289 0.000 2.887 459 T HA 0.362 4.826 4.350 0.190 0.000 0.292 459 T C 1.042 175.522 174.700 -0.366 0.000 1.087 459 T CA -0.645 61.277 62.100 -0.297 0.000 1.009 459 T CB 1.698 70.427 68.868 -0.232 0.000 1.203 459 T HN -0.191 nan 8.240 nan 0.000 0.518 460 E N -0.266 119.586 120.200 -0.581 0.000 2.110 460 E HA -0.044 4.420 4.350 0.190 0.000 0.193 460 E C 1.457 177.502 176.600 -0.924 0.000 0.988 460 E CA 1.412 57.233 56.400 -0.965 0.000 0.804 460 E CB -0.463 28.065 29.700 -1.953 0.000 0.745 460 E HN 0.677 nan 8.360 nan 0.000 0.458 461 Y N 0.657 120.546 120.300 -0.685 0.000 2.114 461 Y HA -0.171 4.493 4.550 0.190 0.000 0.284 461 Y C 2.372 178.171 175.900 -0.169 0.000 1.143 461 Y CA 1.984 59.992 58.100 -0.153 0.000 1.135 461 Y CB -0.701 37.881 38.460 0.203 0.000 0.980 461 Y HN 0.073 nan 8.280 nan 0.000 0.499 462 G N -0.655 107.942 108.800 -0.338 0.000 2.440 462 G HA2 -0.347 3.727 3.960 0.190 0.000 0.218 462 G HA3 -0.347 3.727 3.960 0.190 0.000 0.218 462 G C 1.621 176.291 174.900 -0.384 0.000 1.154 462 G CA 1.043 45.564 45.100 -0.966 0.000 0.767 462 G HN 0.518 nan 8.290 nan 0.000 0.552 463 F N -0.058 119.695 119.950 -0.328 0.000 2.149 463 F HA 0.220 4.860 4.527 0.189 0.000 0.294 463 F C 2.185 178.008 175.800 0.038 0.000 1.095 463 F CA 0.997 58.984 58.000 -0.023 0.000 1.276 463 F CB 0.026 39.008 39.000 -0.031 0.000 1.023 463 F HN 0.097 nan 8.300 nan 0.000 0.480 464 L N -0.196 121.004 121.223 -0.038 0.000 2.316 464 L HA 0.369 4.823 4.340 0.190 0.000 0.207 464 L C 2.336 179.070 176.870 -0.227 0.000 1.070 464 L CA 1.444 56.201 54.840 -0.137 0.000 0.820 464 L CB -1.107 40.992 42.059 0.067 0.000 0.992 464 L HN 0.105 nan 8.230 nan 0.000 0.466 465 A N 0.721 123.374 122.820 -0.278 0.000 1.883 465 A HA -0.098 4.336 4.320 0.190 0.000 0.217 465 A C -0.193 177.230 177.584 -0.270 0.000 1.186 465 A CA 1.969 53.822 52.037 -0.306 0.000 0.624 465 A CB -1.978 16.513 19.000 -0.847 0.000 0.822 465 A HN 0.401 nan 8.150 nan 0.000 0.444 466 P HA -0.084 nan 4.420 nan 0.000 0.222 466 P C 1.191 178.258 177.300 -0.389 0.000 1.147 466 P CA 0.762 63.684 63.100 -0.296 0.000 0.790 466 P CB -0.066 31.399 31.700 -0.390 0.000 0.780 467 L N -1.604 119.299 121.223 -0.532 0.000 2.270 467 L HA 0.011 4.465 4.340 0.190 0.000 0.210 467 L C 1.866 178.579 176.870 -0.262 0.000 1.104 467 L CA 0.985 55.540 54.840 -0.475 0.000 0.804 467 L CB -0.227 41.418 42.059 -0.691 0.000 0.937 467 L HN -0.026 nan 8.230 nan 0.000 0.450 468 V N -6.747 113.048 119.914 -0.199 0.000 3.380 468 V HA 0.247 4.481 4.120 0.190 0.000 0.277 468 V C 0.399 176.452 176.094 -0.069 0.000 1.590 468 V CA -0.440 61.786 62.300 -0.123 0.000 1.019 468 V CB 0.429 32.191 31.823 -0.101 0.000 0.828 468 V HN 0.064 nan 8.190 nan 0.000 0.427 469 D N 2.126 122.496 120.400 -0.050 0.000 2.343 469 D HA 0.293 5.047 4.640 0.190 0.000 0.255 469 D C 1.505 177.803 176.300 -0.004 0.000 1.187 469 D CA 1.023 55.025 54.000 0.003 0.000 0.875 469 D CB 1.807 42.633 40.800 0.043 0.000 1.136 469 D HN 0.252 nan 8.370 nan 0.000 0.469 470 G N 4.148 112.949 108.800 0.000 0.000 2.450 470 G HA2 -0.272 3.802 3.960 0.190 0.000 0.220 470 G HA3 -0.272 3.802 3.960 0.190 0.000 0.220 470 G C 1.482 176.387 174.900 0.007 0.000 1.130 470 G CA 0.391 45.486 45.100 -0.008 0.000 0.760 470 G HN 0.446 nan 8.290 nan 0.000 0.557 471 R N -0.124 120.398 120.500 0.038 0.000 2.316 471 R HA 0.119 4.573 4.340 0.190 0.000 0.202 471 R C 1.845 178.174 176.300 0.049 0.000 1.029 471 R CA 0.544 56.675 56.100 0.052 0.000 1.018 471 R CB 0.112 30.467 30.300 0.092 0.000 0.888 471 R HN 0.240 nan 8.270 nan 0.000 0.471 472 Q N -0.081 119.741 119.800 0.036 0.000 2.220 472 Q HA 0.219 4.673 4.340 0.190 0.000 0.205 472 Q C -0.177 175.817 176.000 -0.009 0.000 0.865 472 Q CA 0.032 55.851 55.803 0.027 0.000 0.960 472 Q CB 0.524 29.280 28.738 0.029 0.000 1.097 472 Q HN 0.324 nan 8.270 nan 0.000 0.493 473 I N 2.518 123.071 120.570 -0.028 0.000 2.517 473 I HA -0.020 4.264 4.170 0.190 0.000 0.285 473 I C 0.340 176.415 176.117 -0.070 0.000 1.106 473 I CA 0.186 61.451 61.300 -0.060 0.000 1.402 473 I CB 0.359 38.314 38.000 -0.074 0.000 1.399 473 I HN -0.395 nan 8.210 nan 0.000 0.535 474 K N 8.203 128.547 120.400 -0.093 0.000 2.299 474 K HA 0.271 4.705 4.320 0.190 0.000 0.268 474 K C 0.758 177.244 176.600 -0.190 0.000 1.075 474 K CA -0.495 55.724 56.287 -0.114 0.000 0.936 474 K CB 1.023 33.465 32.500 -0.098 0.000 1.228 474 K HN 0.464 nan 8.250 nan 0.000 0.454 475 R N 0.930 121.328 120.500 -0.169 0.000 2.189 475 R HA -0.028 4.427 4.340 0.190 0.000 0.223 475 R C 0.351 176.451 176.300 -0.334 0.000 1.092 475 R CA 0.667 56.644 56.100 -0.205 0.000 0.989 475 R CB 0.088 30.318 30.300 -0.116 0.000 0.876 475 R HN 0.418 nan 8.270 nan 0.000 0.457 476 N N 0.179 118.701 118.700 -0.297 0.000 2.235 476 N HA 0.128 4.982 4.740 0.190 0.000 0.209 476 N C 0.404 175.684 175.510 -0.385 0.000 1.122 476 N CA 0.737 53.624 53.050 -0.272 0.000 0.845 476 N CB 1.216 39.660 38.487 -0.071 0.000 1.004 476 N HN 0.306 nan 8.380 nan 0.000 0.499 477 G N -1.068 107.390 108.800 -0.570 0.000 2.515 477 G HA2 0.276 4.350 3.960 0.190 0.000 0.686 477 G HA3 0.276 4.350 3.960 0.190 0.000 0.686 477 G C 0.327 175.131 174.900 -0.160 0.000 1.274 477 G CA -0.115 44.802 45.100 -0.306 0.000 0.874 477 G HN 0.498 nan 8.290 nan 0.000 0.631 478 G N -0.938 107.790 108.800 -0.121 0.000 2.160 478 G HA2 -0.121 3.953 3.960 0.190 0.000 0.251 478 G HA3 -0.121 3.953 3.960 0.190 0.000 0.251 478 G C 0.339 175.144 174.900 -0.160 0.000 1.008 478 G CA 1.204 46.249 45.100 -0.092 0.000 0.724 478 G HN 2.056 nan 8.290 nan 0.000 0.514 479 N N -0.728 117.816 118.700 -0.260 0.000 2.520 479 N HA 0.423 5.277 4.740 0.190 0.000 0.273 479 N C 0.677 175.947 175.510 -0.401 0.000 1.155 479 N CA -0.268 52.641 53.050 -0.234 0.000 0.967 479 N CB 0.292 38.648 38.487 -0.217 0.000 1.092 479 N HN 0.287 nan 8.380 nan 0.000 0.457 480 W N 0.795 122.017 121.300 -0.129 0.000 2.871 480 W HA 0.294 5.069 4.660 0.191 0.000 0.340 480 W C 0.523 176.896 176.519 -0.243 0.000 1.058 480 W CA -0.525 56.693 57.345 -0.212 0.000 1.633 480 W CB 0.369 29.566 29.460 -0.439 0.000 1.067 480 W HN 0.467 nan 8.180 nan 0.000 0.554 481 N N 2.225 120.912 118.700 -0.021 0.000 3.034 481 N HA 0.102 4.956 4.740 0.190 0.000 0.265 481 N C 0.829 176.320 175.510 -0.031 0.000 1.166 481 N CA 0.293 53.311 53.050 -0.055 0.000 1.081 481 N CB 0.026 38.472 38.487 -0.069 0.000 1.378 481 N HN 0.150 nan 8.380 nan 0.000 0.520 482 L N 1.945 123.172 121.223 0.006 0.000 2.056 482 L HA -0.012 4.442 4.340 0.190 0.000 0.207 482 L C -0.634 176.283 176.870 0.079 0.000 1.078 482 L CA 1.089 55.939 54.840 0.017 0.000 0.749 482 L CB -1.270 40.804 42.059 0.025 0.000 0.901 482 L HN 0.306 nan 8.230 nan 0.000 0.433 483 P HA -0.115 nan 4.420 nan 0.000 0.234 483 P C -0.150 177.245 177.300 0.159 0.000 1.167 483 P CA 0.520 63.672 63.100 0.086 0.000 0.763 483 P CB 0.006 31.709 31.700 0.006 0.000 0.835 484 E N -2.076 118.163 120.200 0.064 0.000 2.360 484 E HA -0.218 4.246 4.350 0.190 0.000 0.238 484 E C -0.252 176.330 176.600 -0.030 0.000 1.186 484 E CA -0.205 56.184 56.400 -0.018 0.000 0.719 484 E CB -1.825 27.809 29.700 -0.111 0.000 1.236 484 E HN 0.189 nan 8.360 nan 0.000 0.386 485 L N 1.278 122.465 121.223 -0.059 0.000 2.513 485 L HA 0.112 4.566 4.340 0.190 0.000 0.272 485 L C 0.226 177.039 176.870 -0.096 0.000 1.187 485 L CA 1.002 55.770 54.840 -0.120 0.000 0.895 485 L CB 0.707 42.657 42.059 -0.181 0.000 1.147 485 L HN 0.095 nan 8.230 nan 0.000 0.483 486 D N 2.810 123.155 120.400 -0.091 0.000 2.656 486 D HA 0.123 4.877 4.640 0.190 0.000 0.303 486 D C -1.144 175.132 176.300 -0.040 0.000 1.199 486 D CA -0.382 53.587 54.000 -0.051 0.000 0.797 486 D CB 0.135 40.916 40.800 -0.032 0.000 1.170 486 D HN 0.479 nan 8.370 nan 0.000 0.509 487 D N 1.467 121.835 120.400 -0.052 0.000 2.347 487 D HA 0.209 4.963 4.640 0.190 0.000 0.235 487 D C -1.608 174.708 176.300 0.027 0.000 1.149 487 D CA -2.182 51.819 54.000 0.002 0.000 0.850 487 D CB 2.049 42.866 40.800 0.029 0.000 1.061 487 D HN 0.058 nan 8.370 nan 0.000 0.487 488 P HA -0.146 nan 4.420 nan 0.000 0.216 488 P C 0.817 178.138 177.300 0.034 0.000 1.150 488 P CA 1.204 64.323 63.100 0.032 0.000 0.843 488 P CB 0.369 32.088 31.700 0.032 0.000 0.787 489 E N -0.837 119.388 120.200 0.043 0.000 2.107 489 E HA -0.088 4.376 4.350 0.190 0.000 0.191 489 E C 1.994 178.611 176.600 0.028 0.000 0.982 489 E CA 0.847 57.269 56.400 0.036 0.000 0.809 489 E CB -0.514 29.213 29.700 0.044 0.000 0.756 489 E HN 0.047 nan 8.360 nan 0.000 0.459 490 V N 2.344 122.285 119.914 0.045 0.000 2.295 490 V HA -0.268 3.966 4.120 0.190 0.000 0.246 490 V C 1.836 177.938 176.094 0.012 0.000 1.049 490 V CA 1.798 64.117 62.300 0.032 0.000 1.024 490 V CB -0.540 31.311 31.823 0.046 0.000 0.648 490 V HN 0.257 nan 8.190 nan 0.000 0.447 491 N N 0.809 119.525 118.700 0.025 0.000 2.104 491 N HA -0.151 4.703 4.740 0.190 0.000 0.190 491 N C 1.862 177.389 175.510 0.028 0.000 1.024 491 N CA 1.790 54.863 53.050 0.039 0.000 0.853 491 N CB -0.677 37.838 38.487 0.047 0.000 1.008 491 N HN 0.500 nan 8.380 nan 0.000 0.424 492 A N 1.196 124.026 122.820 0.017 0.000 1.902 492 A HA -0.043 4.391 4.320 0.190 0.000 0.217 492 A C 2.408 179.971 177.584 -0.034 0.000 1.181 492 A CA 0.914 52.958 52.037 0.011 0.000 0.623 492 A CB -0.773 18.237 19.000 0.017 0.000 0.818 492 A HN 0.213 nan 8.150 nan 0.000 0.443 493 L N -0.554 120.628 121.223 -0.069 0.000 2.046 493 L HA -0.198 4.256 4.340 0.190 0.000 0.208 493 L C 2.511 179.207 176.870 -0.289 0.000 1.077 493 L CA 1.326 56.071 54.840 -0.157 0.000 0.747 493 L CB -0.511 41.462 42.059 -0.145 0.000 0.896 493 L HN 0.394 nan 8.230 nan 0.000 0.432 494 I N -0.215 120.207 120.570 -0.247 0.000 2.163 494 I HA -0.330 3.954 4.170 0.190 0.000 0.243 494 I C 2.139 178.188 176.117 -0.114 0.000 1.085 494 I CA 1.330 62.468 61.300 -0.271 0.000 1.347 494 I CB -0.459 37.553 38.000 0.021 0.000 1.044 494 I HN 0.286 nan 8.210 nan 0.000 0.408 495 D N 0.514 120.903 120.400 -0.018 0.000 2.123 495 D HA -0.242 4.512 4.640 0.190 0.000 0.196 495 D C 2.017 178.265 176.300 -0.086 0.000 0.992 495 D CA 1.275 55.295 54.000 0.034 0.000 0.833 495 D CB -0.252 40.600 40.800 0.088 0.000 0.954 495 D HN 0.416 nan 8.370 nan 0.000 0.455 496 E N -0.060 120.025 120.200 -0.192 0.000 2.077 496 E HA -0.181 4.283 4.350 0.190 0.000 0.193 496 E C 1.969 178.199 176.600 -0.616 0.000 0.989 496 E CA 1.860 57.988 56.400 -0.454 0.000 0.800 496 E CB 0.045 29.602 29.700 -0.239 0.000 0.746 496 E HN 0.373 nan 8.360 nan 0.000 0.452 497 T N -0.503 113.793 114.554 -0.431 0.000 2.759 497 T HA -0.174 4.290 4.350 0.190 0.000 0.269 497 T C 1.964 176.554 174.700 -0.183 0.000 1.042 497 T CA 1.267 63.161 62.100 -0.344 0.000 1.140 497 T CB -0.490 68.047 68.868 -0.552 0.000 0.864 497 T HN 0.174 nan 8.240 nan 0.000 0.455 498 L N 1.367 122.499 121.223 -0.152 0.000 2.275 498 L HA -0.025 4.429 4.340 0.190 0.000 0.215 498 L C 2.715 179.598 176.870 0.022 0.000 1.119 498 L CA 1.556 56.361 54.840 -0.059 0.000 0.790 498 L CB -0.651 41.405 42.059 -0.004 0.000 0.919 498 L HN 0.677 nan 8.230 nan 0.000 0.443 499 H N -3.303 115.788 119.070 0.034 0.000 2.652 499 H HA 0.188 4.858 4.556 0.190 0.000 0.274 499 H C 0.041 175.383 175.328 0.024 0.000 1.021 499 H CA -0.321 55.751 56.048 0.039 0.000 1.187 499 H CB -0.110 29.672 29.762 0.034 0.000 1.505 499 H HN -0.008 nan 8.280 nan 0.000 0.530 500 T N 2.716 117.210 114.554 -0.100 0.000 2.737 500 T HA 0.047 4.511 4.350 0.190 0.000 0.296 500 T C 1.498 176.218 174.700 0.032 0.000 0.922 500 T CA 0.449 62.536 62.100 -0.022 0.000 1.079 500 T CB 1.506 70.313 68.868 -0.101 0.000 0.892 500 T HN 0.514 nan 8.240 nan 0.000 0.514 501 T N 0.117 114.701 114.554 0.050 0.000 2.896 501 T HA -0.053 4.411 4.350 0.190 0.000 0.263 501 T C 0.807 175.527 174.700 0.034 0.000 1.050 501 T CA 0.210 62.333 62.100 0.039 0.000 1.140 501 T CB -0.206 68.674 68.868 0.021 0.000 0.877 501 T HN 0.483 nan 8.240 nan 0.000 0.457 502 D N 3.395 123.812 120.400 0.029 0.000 2.382 502 D HA 0.190 4.944 4.640 0.190 0.000 0.259 502 D C -1.655 174.666 176.300 0.035 0.000 1.224 502 D CA -2.366 51.650 54.000 0.026 0.000 0.894 502 D CB 1.386 42.198 40.800 0.021 0.000 1.127 502 D HN 0.056 nan 8.370 nan 0.000 0.487 503 P HA -0.122 nan 4.420 nan 0.000 0.216 503 P C 0.888 178.216 177.300 0.046 0.000 1.150 503 P CA 1.417 64.547 63.100 0.050 0.000 0.837 503 P CB 0.168 31.894 31.700 0.044 0.000 0.786 504 A N 0.103 122.943 122.820 0.034 0.000 1.873 504 A HA -0.060 4.375 4.320 0.190 0.000 0.215 504 A C 2.345 179.949 177.584 0.032 0.000 1.186 504 A CA 2.005 54.060 52.037 0.030 0.000 0.616 504 A CB -1.594 17.419 19.000 0.022 0.000 0.823 504 A HN 0.186 nan 8.150 nan 0.000 0.442 505 A N -0.447 122.388 122.820 0.025 0.000 1.933 505 A HA -0.157 4.277 4.320 0.190 0.000 0.218 505 A C 2.225 179.816 177.584 0.012 0.000 1.175 505 A CA 1.767 53.813 52.037 0.015 0.000 0.628 505 A CB -0.463 18.542 19.000 0.008 0.000 0.814 505 A HN 0.546 nan 8.150 nan 0.000 0.444 506 R N -0.454 120.065 120.500 0.032 0.000 2.081 506 R HA -0.076 4.378 4.340 0.190 0.000 0.235 506 R C 2.312 178.707 176.300 0.157 0.000 1.131 506 R CA 1.392 57.528 56.100 0.059 0.000 0.960 506 R CB -0.391 29.976 30.300 0.112 0.000 0.856 506 R HN 0.445 nan 8.270 nan 0.000 0.436 507 A N 0.900 123.805 122.820 0.142 0.000 1.902 507 A HA -0.157 4.277 4.320 0.190 0.000 0.217 507 A C 1.902 179.568 177.584 0.136 0.000 1.181 507 A CA 1.477 53.600 52.037 0.143 0.000 0.623 507 A CB -0.392 18.642 19.000 0.056 0.000 0.818 507 A HN 0.310 nan 8.150 nan 0.000 0.443 508 E N 0.032 120.280 120.200 0.079 0.000 2.106 508 E HA -0.122 4.342 4.350 0.190 0.000 0.192 508 E C 2.045 178.677 176.600 0.054 0.000 0.984 508 E CA 0.848 57.285 56.400 0.061 0.000 0.806 508 E CB -0.438 29.281 29.700 0.032 0.000 0.750 508 E HN 0.682 nan 8.360 nan 0.000 0.458 509 L N -1.074 120.151 121.223 0.003 0.000 2.046 509 L HA -0.152 4.302 4.340 0.190 0.000 0.208 509 L C 2.401 179.234 176.870 -0.061 0.000 1.077 509 L CA 1.237 56.023 54.840 -0.090 0.000 0.747 509 L CB -0.445 41.479 42.059 -0.224 0.000 0.896 509 L HN 0.203 nan 8.230 nan 0.000 0.432 510 W N 0.169 121.510 121.300 0.069 0.000 2.363 510 W HA -0.135 4.639 4.660 0.190 0.000 0.296 510 W C 2.782 179.454 176.519 0.254 0.000 1.212 510 W CA 0.555 57.993 57.345 0.156 0.000 1.260 510 W CB -0.076 29.423 29.460 0.064 0.000 1.131 510 W HN -0.007 nan 8.180 nan 0.000 0.530 511 R N -0.086 120.643 120.500 0.381 0.000 2.096 511 R HA -0.130 4.324 4.340 0.190 0.000 0.235 511 R C 2.341 178.753 176.300 0.188 0.000 1.127 511 R CA 1.447 57.719 56.100 0.286 0.000 0.968 511 R CB -0.806 29.593 30.300 0.165 0.000 0.861 511 R HN 0.147 nan 8.270 nan 0.000 0.440 512 A N 0.638 123.534 122.820 0.127 0.000 1.898 512 A HA -0.102 4.333 4.320 0.190 0.000 0.216 512 A C 2.336 179.968 177.584 0.081 0.000 1.181 512 A CA 1.261 53.340 52.037 0.070 0.000 0.620 512 A CB -0.484 18.531 19.000 0.024 0.000 0.819 512 A HN 0.104 nan 8.150 nan 0.000 0.442 513 V N 0.094 120.078 119.914 0.116 0.000 2.255 513 V HA -0.308 3.926 4.120 0.190 0.000 0.247 513 V C 2.552 178.730 176.094 0.140 0.000 1.051 513 V CA 2.432 64.814 62.300 0.135 0.000 1.018 513 V CB -0.776 31.174 31.823 0.210 0.000 0.641 513 V HN 0.776 nan 8.190 nan 0.000 0.445 514 E N 0.155 120.459 120.200 0.174 0.000 2.077 514 E HA -0.286 4.178 4.350 0.190 0.000 0.193 514 E C 2.451 179.056 176.600 0.008 0.000 0.989 514 E CA 1.555 57.962 56.400 0.012 0.000 0.800 514 E CB -0.118 29.542 29.700 -0.066 0.000 0.746 514 E HN 0.488 nan 8.360 nan 0.000 0.452 515 R N 0.375 120.899 120.500 0.039 0.000 2.083 515 R HA -0.206 4.248 4.340 0.190 0.000 0.237 515 R C 2.500 178.803 176.300 0.006 0.000 1.137 515 R CA 1.902 58.006 56.100 0.006 0.000 0.951 515 R CB -0.186 30.120 30.300 0.009 0.000 0.851 515 R HN -0.034 nan 8.270 nan 0.000 0.434 516 R N 0.200 120.720 120.500 0.032 0.000 2.081 516 R HA -0.069 4.385 4.340 0.190 0.000 0.235 516 R C 1.998 178.368 176.300 0.117 0.000 1.131 516 R CA 1.736 57.860 56.100 0.040 0.000 0.960 516 R CB -0.654 29.686 30.300 0.066 0.000 0.856 516 R HN 0.169 nan 8.270 nan 0.000 0.436 517 V N 0.511 120.498 119.914 0.122 0.000 2.332 517 V HA -0.273 3.961 4.120 0.190 0.000 0.248 517 V C 2.273 178.434 176.094 0.113 0.000 1.055 517 V CA 1.860 64.238 62.300 0.130 0.000 1.038 517 V CB -0.445 31.388 31.823 0.016 0.000 0.651 517 V HN 0.319 nan 8.190 nan 0.000 0.450 518 M N -0.638 118.994 119.600 0.053 0.000 2.229 518 M HA -0.116 4.478 4.480 0.190 0.000 0.264 518 M C 2.113 178.492 176.300 0.131 0.000 1.063 518 M CA 1.334 56.677 55.300 0.072 0.000 1.114 518 M CB -1.219 31.370 32.600 -0.018 0.000 1.387 518 M HN 0.453 nan 8.290 nan 0.000 0.420 519 E N -0.744 119.482 120.200 0.044 0.000 2.118 519 E HA -0.212 4.252 4.350 0.190 0.000 0.195 519 E C 1.950 178.560 176.600 0.016 0.000 0.992 519 E CA 0.949 57.359 56.400 0.017 0.000 0.804 519 E CB -0.187 29.456 29.700 -0.096 0.000 0.741 519 E HN 0.562 nan 8.360 nan 0.000 0.458 520 H N -0.280 118.823 119.070 0.054 0.000 2.456 520 H HA 0.003 4.673 4.556 0.190 0.000 0.296 520 H C 1.360 176.700 175.328 0.020 0.000 1.079 520 H CA 1.198 57.261 56.048 0.025 0.000 1.322 520 H CB 0.120 29.888 29.762 0.010 0.000 1.388 520 H HN 0.219 nan 8.280 nan 0.000 0.538 521 A N 0.007 122.929 122.820 0.170 0.000 2.847 521 A HA -0.237 4.197 4.320 0.190 0.000 0.263 521 A C 2.100 179.709 177.584 0.042 0.000 1.391 521 A CA 0.967 53.047 52.037 0.071 0.000 0.866 521 A CB -2.421 16.494 19.000 -0.142 0.000 1.057 521 A HN 0.388 nan 8.150 nan 0.000 0.673 522 V N -3.127 116.829 119.914 0.069 0.000 3.041 522 V HA 0.382 4.616 4.120 0.190 0.000 0.260 522 V C 0.863 176.975 176.094 0.029 0.000 1.105 522 V CA 1.484 63.805 62.300 0.034 0.000 1.125 522 V CB -0.442 31.386 31.823 0.009 0.000 0.730 522 V HN 0.610 nan 8.190 nan 0.000 0.479 523 L N 1.614 122.852 121.223 0.025 0.000 2.356 523 L HA 0.574 5.028 4.340 0.190 0.000 0.277 523 L C -0.907 175.998 176.870 0.058 0.000 0.996 523 L CA -0.762 54.096 54.840 0.030 0.000 0.822 523 L CB 2.096 44.075 42.059 -0.133 0.000 1.256 523 L HN 0.141 nan 8.230 nan 0.000 0.413 524 L N 6.663 127.956 121.223 0.116 0.000 2.272 524 L HA 0.575 5.029 4.340 0.190 0.000 0.284 524 L C -2.447 174.510 176.870 0.145 0.000 1.045 524 L CA -1.814 53.088 54.840 0.103 0.000 0.842 524 L CB 0.743 42.850 42.059 0.079 0.000 1.224 524 L HN 0.218 nan 8.230 nan 0.000 0.430 525 P HA 0.208 nan 4.420 nan 0.000 0.276 525 P C 0.048 177.399 177.300 0.085 0.000 1.230 525 P CA -0.068 63.089 63.100 0.095 0.000 0.776 525 P CB 1.162 32.871 31.700 0.015 0.000 0.888 526 L N 2.665 123.952 121.223 0.107 0.000 2.630 526 L HA 0.314 4.768 4.340 0.190 0.000 0.180 526 L C 0.815 177.716 176.870 0.051 0.000 1.221 526 L CA 0.274 55.161 54.840 0.079 0.000 0.853 526 L CB -0.260 41.853 42.059 0.089 0.000 1.172 526 L HN 0.191 nan 8.230 nan 0.000 0.508 527 V N -3.910 116.056 119.914 0.086 0.000 3.049 527 V HA 0.493 4.728 4.120 0.190 0.000 0.309 527 V C -1.023 175.132 176.094 0.102 0.000 1.148 527 V CA -0.888 61.458 62.300 0.077 0.000 0.990 527 V CB 1.858 33.747 31.823 0.111 0.000 1.039 527 V HN 0.139 nan 8.190 nan 0.000 0.430 528 H N 2.288 121.489 119.070 0.217 0.000 2.668 528 H HA 0.382 5.053 4.556 0.191 0.000 0.303 528 H C -0.217 175.251 175.328 0.233 0.000 1.074 528 H CA 0.023 56.203 56.048 0.220 0.000 1.406 528 H CB 1.259 31.102 29.762 0.134 0.000 1.442 528 H HN 0.929 nan 8.280 nan 0.000 0.482 529 D N 2.746 123.406 120.400 0.434 0.000 2.399 529 D HA 0.052 4.806 4.640 0.190 0.000 0.241 529 D C -0.279 176.143 176.300 0.203 0.000 1.133 529 D CA 0.344 54.561 54.000 0.363 0.000 0.890 529 D CB 0.980 42.036 40.800 0.428 0.000 1.201 529 D HN 0.473 nan 8.370 nan 0.000 0.432 530 K N 0.770 121.245 120.400 0.125 0.000 2.400 530 K HA 0.503 4.937 4.320 0.190 0.000 0.246 530 K C -0.500 176.082 176.600 -0.030 0.000 0.995 530 K CA -0.786 55.526 56.287 0.040 0.000 0.840 530 K CB 2.276 34.804 32.500 0.046 0.000 1.293 530 K HN 0.285 nan 8.250 nan 0.000 0.445 531 T N 0.395 114.868 114.554 -0.135 0.000 2.843 531 T HA 0.530 4.994 4.350 0.190 0.000 0.302 531 T C -1.814 172.683 174.700 -0.338 0.000 1.232 531 T CA -0.707 61.245 62.100 -0.247 0.000 1.009 531 T CB 0.816 69.461 68.868 -0.371 0.000 1.254 531 T HN 0.331 nan 8.240 nan 0.000 0.504 532 L N 4.289 125.330 121.223 -0.302 0.000 2.294 532 L HA 0.503 4.957 4.340 0.190 0.000 0.283 532 L C -0.397 176.326 176.870 -0.246 0.000 1.015 532 L CA -0.914 53.786 54.840 -0.233 0.000 0.831 532 L CB 0.922 42.963 42.059 -0.031 0.000 1.217 532 L HN 0.615 nan 8.230 nan 0.000 0.420 533 H N 3.046 122.036 119.070 -0.133 0.000 2.458 533 H HA 0.311 4.982 4.556 0.192 0.000 0.330 533 H C -1.023 174.354 175.328 0.082 0.000 1.111 533 H CA -0.508 55.461 56.048 -0.133 0.000 1.245 533 H CB 2.109 31.548 29.762 -0.539 0.000 1.456 533 H HN 0.345 nan 8.280 nan 0.000 0.488 534 F N 3.587 123.634 119.950 0.161 0.000 2.436 534 F HA 0.365 5.006 4.527 0.190 0.000 0.340 534 F C -0.030 175.859 175.800 0.148 0.000 1.113 534 F CA -0.881 57.199 58.000 0.133 0.000 1.022 534 F CB 0.765 39.806 39.000 0.068 0.000 1.128 534 F HN 0.483 nan 8.300 nan 0.000 0.466 535 R N 4.363 124.614 120.500 -0.415 0.000 2.439 535 R HA 0.461 4.915 4.340 0.190 0.000 0.310 535 R C -1.072 174.823 176.300 -0.676 0.000 0.955 535 R CA -0.965 54.895 56.100 -0.400 0.000 0.853 535 R CB 0.851 30.898 30.300 -0.422 0.000 1.171 535 R HN 0.457 nan 8.270 nan 0.000 0.449 536 N N 4.182 122.517 118.700 -0.609 0.000 2.492 536 N HA 0.048 4.902 4.740 0.190 0.000 0.260 536 N C -1.561 173.378 175.510 -0.952 0.000 1.215 536 N CA -1.437 51.033 53.050 -0.968 0.000 0.923 536 N CB 1.130 38.776 38.487 -1.402 0.000 1.092 536 N HN 0.519 nan 8.380 nan 0.000 0.448 537 P HA -0.063 nan 4.420 nan 0.000 0.226 537 P C 0.767 177.986 177.300 -0.135 0.000 1.153 537 P CA 1.023 63.962 63.100 -0.268 0.000 0.777 537 P CB -0.084 31.621 31.700 0.009 0.000 0.794 538 W N -0.365 120.914 121.300 -0.035 0.000 3.256 538 W HA 0.333 5.106 4.660 0.189 0.000 0.269 538 W C -0.177 176.321 176.519 -0.035 0.000 1.310 538 W CA -0.392 56.937 57.345 -0.026 0.000 1.673 538 W CB -1.225 28.222 29.460 -0.022 0.000 1.115 538 W HN -0.393 nan 8.180 nan 0.000 0.686 539 V N 3.364 123.133 119.914 -0.243 0.000 2.530 539 V HA 0.287 4.521 4.120 0.190 0.000 0.282 539 V C 0.882 176.913 176.094 -0.105 0.000 1.048 539 V CA -0.247 61.963 62.300 -0.150 0.000 0.997 539 V CB 0.452 32.108 31.823 -0.278 0.000 0.987 539 V HN 0.213 nan 8.190 nan 0.000 0.477 540 T N 1.571 116.102 114.554 -0.039 0.000 2.928 540 T HA 0.384 4.848 4.350 0.190 0.000 0.284 540 T C 0.274 174.955 174.700 -0.030 0.000 1.008 540 T CA -0.640 61.446 62.100 -0.023 0.000 1.057 540 T CB 0.858 69.736 68.868 0.017 0.000 1.018 540 T HN 0.743 nan 8.240 nan 0.000 0.493 541 N N -0.274 118.419 118.700 -0.011 0.000 2.738 541 N HA -0.124 4.730 4.740 0.190 0.000 0.249 541 N C -0.659 174.876 175.510 0.043 0.000 1.047 541 N CA 0.335 53.408 53.050 0.038 0.000 0.707 541 N CB -1.692 36.839 38.487 0.072 0.000 0.937 541 N HN 0.602 nan 8.380 nan 0.000 0.545 542 V N 1.540 121.413 119.914 -0.070 0.000 2.461 542 V HA 0.499 4.733 4.120 0.190 0.000 0.275 542 V C 0.178 176.247 176.094 -0.042 0.000 1.047 542 V CA -0.216 61.942 62.300 -0.237 0.000 0.955 542 V CB 0.321 31.840 31.823 -0.507 0.000 0.988 542 V HN 0.344 nan 8.190 nan 0.000 0.471 543 Y N 2.160 122.385 120.300 -0.124 0.000 2.558 543 Y HA 0.729 5.390 4.550 0.185 0.000 0.333 543 Y C -0.937 175.101 175.900 0.229 0.000 1.125 543 Y CA -1.535 56.587 58.100 0.038 0.000 1.039 543 Y CB 1.242 39.707 38.460 0.008 0.000 1.331 543 Y HN 0.200 nan 8.280 nan 0.000 0.456 544 V N 4.477 124.556 119.914 0.275 0.000 2.439 544 V HA 0.033 4.267 4.120 0.190 0.000 0.271 544 V C 0.368 176.558 176.094 0.159 0.000 1.040 544 V CA -0.048 62.349 62.300 0.161 0.000 1.002 544 V CB -0.239 31.671 31.823 0.144 0.000 1.000 544 V HN 0.830 nan 8.190 nan 0.000 0.477 545 H N 9.470 128.527 119.070 -0.023 0.000 2.819 545 H HA 0.158 4.829 4.556 0.191 0.000 0.303 545 H C -1.518 173.939 175.328 0.216 0.000 1.058 545 H CA -1.870 54.281 56.048 0.170 0.000 1.471 545 H CB 1.956 31.802 29.762 0.140 0.000 1.480 545 H HN 0.403 nan 8.280 nan 0.000 0.517 546 P HA -0.095 nan 4.420 nan 0.000 0.222 546 P C 0.895 178.295 177.300 0.167 0.000 1.147 546 P CA 1.091 64.268 63.100 0.128 0.000 0.790 546 P CB 0.170 31.884 31.700 0.023 0.000 0.780 547 A N -2.135 120.907 122.820 0.370 0.000 2.169 547 A HA 0.086 4.521 4.320 0.190 0.000 0.212 547 A C 1.506 178.899 177.584 -0.318 0.000 1.153 547 A CA 0.683 52.653 52.037 -0.112 0.000 0.756 547 A CB -1.008 17.650 19.000 -0.570 0.000 0.813 547 A HN 0.115 nan 8.150 nan 0.000 0.471 548 F N -2.130 117.854 119.950 0.056 0.000 2.699 548 F HA 0.354 4.992 4.527 0.185 0.000 0.295 548 F C 1.874 177.724 175.800 0.084 0.000 1.052 548 F CA 0.511 58.539 58.000 0.046 0.000 1.239 548 F CB 0.219 39.228 39.000 0.016 0.000 1.018 548 F HN 0.290 nan 8.300 nan 0.000 0.627 549 G N 1.672 110.628 108.800 0.261 0.000 2.155 549 G HA2 -0.288 3.787 3.960 0.190 0.000 0.257 549 G HA3 -0.288 3.787 3.960 0.190 0.000 0.257 549 G C -0.084 174.927 174.900 0.186 0.000 0.983 549 G CA 0.449 45.662 45.100 0.188 0.000 0.676 549 G HN 0.279 nan 8.290 nan 0.000 0.528 550 L N -1.131 120.163 121.223 0.119 0.000 2.354 550 L HA 0.544 4.998 4.340 0.190 0.000 0.264 550 L C 0.545 177.291 176.870 -0.208 0.000 1.008 550 L CA -1.703 53.042 54.840 -0.158 0.000 0.819 550 L CB 1.376 43.387 42.059 -0.080 0.000 1.339 550 L HN 0.115 nan 8.230 nan 0.000 0.420 551 Y N 0.059 120.135 120.300 -0.373 0.000 2.702 551 Y HA -0.114 4.549 4.550 0.188 0.000 0.336 551 Y C 0.593 176.247 175.900 -0.409 0.000 1.235 551 Y CA -0.254 57.618 58.100 -0.380 0.000 1.492 551 Y CB 0.430 38.677 38.460 -0.356 0.000 1.308 551 Y HN 0.474 nan 8.280 nan 0.000 0.589 552 D N 4.145 124.304 120.400 -0.402 0.000 2.470 552 D HA 0.046 4.800 4.640 0.190 0.000 0.226 552 D C 0.970 177.125 176.300 -0.243 0.000 1.196 552 D CA 0.074 53.840 54.000 -0.389 0.000 0.979 552 D CB 0.106 40.637 40.800 -0.449 0.000 1.059 552 D HN 0.349 nan 8.370 nan 0.000 0.515 553 I N 2.878 123.332 120.570 -0.193 0.000 2.185 553 I HA -0.343 3.941 4.170 0.190 0.000 0.246 553 I C 2.246 178.295 176.117 -0.114 0.000 1.088 553 I CA 1.386 62.603 61.300 -0.137 0.000 1.347 553 I CB -1.220 36.708 38.000 -0.119 0.000 1.041 553 I HN 0.532 nan 8.210 nan 0.000 0.415 554 Q N 1.740 121.479 119.800 -0.101 0.000 2.291 554 Q HA -0.072 4.382 4.340 0.190 0.000 0.206 554 Q C 1.951 177.958 176.000 0.011 0.000 0.976 554 Q CA 1.980 57.752 55.803 -0.052 0.000 0.875 554 Q CB -0.791 27.934 28.738 -0.022 0.000 0.927 554 Q HN 0.431 nan 8.270 nan 0.000 0.450 555 A N 0.068 122.910 122.820 0.037 0.000 2.169 555 A HA 0.227 4.661 4.320 0.190 0.000 0.212 555 A C 0.831 178.454 177.584 0.065 0.000 1.153 555 A CA 0.049 52.153 52.037 0.112 0.000 0.756 555 A CB -0.262 18.900 19.000 0.269 0.000 0.813 555 A HN 0.420 nan 8.150 nan 0.000 0.471 556 M N -0.270 119.330 119.600 -0.001 0.000 2.242 556 M HA 0.429 5.023 4.480 0.190 0.000 0.344 556 M C 0.732 177.032 176.300 0.000 0.000 1.140 556 M CA 0.335 55.620 55.300 -0.025 0.000 1.160 556 M CB 1.071 33.623 32.600 -0.081 0.000 1.491 556 M HN 0.276 nan 8.290 nan 0.000 0.459 557 G N 1.721 110.527 108.800 0.010 0.000 3.176 557 G HA2 0.754 4.828 3.960 0.190 0.000 0.272 557 G HA3 0.754 4.828 3.960 0.190 0.000 0.272 557 G C -1.701 173.227 174.900 0.047 0.000 1.349 557 G CA -0.679 44.441 45.100 0.034 0.000 0.953 557 G HN 0.445 nan 8.290 nan 0.000 0.559 558 L N 0.518 121.783 121.223 0.070 0.000 2.365 558 L HA 0.694 5.148 4.340 0.190 0.000 0.273 558 L C 0.760 177.690 176.870 0.099 0.000 1.000 558 L CA -0.980 53.928 54.840 0.113 0.000 0.819 558 L CB 1.038 43.162 42.059 0.108 0.000 1.284 558 L HN 0.748 nan 8.230 nan 0.000 0.418 559 A N 2.277 125.178 122.820 0.134 0.000 2.407 559 A HA 0.325 4.759 4.320 0.190 0.000 0.248 559 A C 0.466 178.090 177.584 0.066 0.000 1.082 559 A CA -0.168 51.929 52.037 0.101 0.000 0.785 559 A CB 0.207 19.287 19.000 0.134 0.000 1.020 559 A HN 0.789 nan 8.150 nan 0.000 0.489 560 E N 0.000 120.226 120.200 0.044 0.000 2.725 560 E HA 0.000 4.464 4.350 0.190 0.000 0.291 560 E CA 0.000 56.413 56.400 0.022 0.000 0.976 560 E CB 0.000 29.712 29.700 0.020 0.000 0.812 560 E HN 0.000 nan 8.360 nan 0.000 0.440