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 3kw7_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPVTDLTI SNADVTPDGF TRAAVVANGV FPGPLITGNK GDNFQINVID DATA SEQUENCE NLTNATMLKT TTIHWHGLFQ HGTNWADGPA FVNQcPIASG NSFLYDFTVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPLVVYDPS DPYASMYDVD DDTTVITLSD DATA SEQUENCE WYHTAAKLGP AFPPNADSVL INGLGRFAGG NASDLAVITV EQNKRYRFRL DATA SEQUENCE VSLScDPNFT FSIDGHNMTI IEVDGVNHEP LEVDSIQIFA SQRYSFVLNA DATA SEQUENCE TQSVDNYWIR AIPNTGTIDT TGGLNSAILR YSGADIVDPT ANATTSVIPL DATA SEQUENCE VETDLVPLDS PAAPGDPVVG GVDLAMNLDF SFNGTNFFIN NETLIPPTVP DATA SEQUENCE VLLQILSGAQ SASDLLPTGS VYTLPLNSTI ELSFPITTVN GVTNAPGAPH DATA SEQUENCE PFHLHGHAFS VVRSAGSSDY NYVNPVRRDT VSTGNPGDNV TIRFTTDNAG DATA SEQUENCE PWFLHCHIDF HLEAGFAIVF AEDTPDTASV NPVPTAWSDL cPTYDALDPS DATA SEQUENCE DH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.642 177.584 0.096 0.000 1.274 1 A CA 0.000 52.100 52.037 0.106 0.000 0.836 1 A CB 0.000 19.074 19.000 0.123 0.000 0.831 2 I N -1.956 118.678 120.570 0.107 0.000 3.205 2 I HA 0.811 4.978 4.170 -0.004 0.000 0.310 2 I C 0.791 176.966 176.117 0.097 0.000 1.089 2 I CA -0.561 60.792 61.300 0.088 0.000 1.023 2 I CB 1.102 39.150 38.000 0.080 0.000 1.269 2 I HN 2.139 nan 8.210 nan 0.000 0.512 3 G N 1.638 110.479 108.800 0.068 0.000 2.710 3 G HA2 -0.093 3.864 3.960 -0.004 0.000 0.668 3 G HA3 -0.093 3.864 3.960 -0.004 0.000 0.668 3 G C -2.500 172.397 174.900 -0.005 0.000 1.320 3 G CA -0.305 44.832 45.100 0.061 0.000 0.860 3 G HN 0.594 nan 8.290 nan 0.000 0.538 4 P HA 0.197 nan 4.420 nan 0.000 0.233 4 P C 0.756 177.957 177.300 -0.165 0.000 1.167 4 P CA 1.407 64.352 63.100 -0.259 0.000 0.770 4 P CB 0.079 31.344 31.700 -0.724 0.000 0.837 5 V N -3.639 116.205 119.914 -0.116 0.000 2.417 5 V HA 0.848 4.966 4.120 -0.004 0.000 0.291 5 V C -0.403 175.678 176.094 -0.022 0.000 1.024 5 V CA -0.245 62.011 62.300 -0.073 0.000 0.861 5 V CB 1.376 33.149 31.823 -0.083 0.000 0.985 5 V HN -0.013 nan 8.190 nan 0.000 0.436 6 T N 2.268 116.823 114.554 0.002 0.000 2.654 6 T HA 0.377 4.724 4.350 -0.004 0.000 0.303 6 T C -2.185 172.544 174.700 0.049 0.000 1.656 6 T CA -0.429 61.686 62.100 0.026 0.000 0.971 6 T CB 2.019 70.908 68.868 0.035 0.000 1.811 6 T HN 0.876 nan 8.240 nan 0.000 0.483 7 D N 1.686 122.124 120.400 0.064 0.000 2.248 7 D HA 0.493 5.130 4.640 -0.004 0.000 0.246 7 D C -0.652 175.709 176.300 0.102 0.000 1.027 7 D CA -0.312 53.742 54.000 0.090 0.000 0.853 7 D CB 1.886 42.737 40.800 0.086 0.000 1.243 7 D HN 0.395 nan 8.370 nan 0.000 0.462 8 L N 1.554 122.858 121.223 0.134 0.000 2.265 8 L HA 0.262 4.599 4.340 -0.004 0.000 0.289 8 L C -0.047 176.916 176.870 0.154 0.000 1.033 8 L CA -0.307 54.618 54.840 0.141 0.000 0.814 8 L CB 1.191 43.340 42.059 0.151 0.000 1.203 8 L HN 0.205 nan 8.230 nan 0.000 0.423 9 T N 4.799 119.437 114.554 0.140 0.000 2.733 9 T HA 0.469 4.816 4.350 -0.004 0.000 0.294 9 T C 0.027 174.816 174.700 0.148 0.000 0.956 9 T CA -0.333 61.848 62.100 0.135 0.000 0.987 9 T CB 0.728 69.664 68.868 0.113 0.000 0.920 9 T HN 0.189 nan 8.240 nan 0.000 0.470 10 I N 4.165 124.825 120.570 0.150 0.000 2.339 10 I HA 0.470 4.638 4.170 -0.004 0.000 0.290 10 I C 0.348 176.547 176.117 0.135 0.000 0.994 10 I CA -0.647 60.746 61.300 0.156 0.000 1.191 10 I CB 0.773 38.870 38.000 0.161 0.000 1.343 10 I HN 0.659 nan 8.210 nan 0.000 0.458 11 S N 4.045 119.826 115.700 0.135 0.000 2.564 11 S HA 0.501 4.968 4.470 -0.004 0.000 0.274 11 S C -0.772 173.900 174.600 0.119 0.000 1.124 11 S CA -1.108 57.162 58.200 0.117 0.000 0.869 11 S CB 1.739 65.003 63.200 0.106 0.000 1.105 11 S HN 0.554 nan 8.310 nan 0.000 0.472 12 N N 0.517 119.279 118.700 0.103 0.000 2.430 12 N HA 0.621 5.359 4.740 -0.004 0.000 0.265 12 N C -0.555 175.013 175.510 0.096 0.000 1.100 12 N CA 0.009 53.119 53.050 0.100 0.000 0.961 12 N CB 0.992 39.529 38.487 0.084 0.000 1.075 12 N HN 0.925 nan 8.380 nan 0.000 0.478 13 A N 2.059 124.943 122.820 0.106 0.000 2.574 13 A HA 0.377 4.695 4.320 -0.004 0.000 0.297 13 A C -1.603 176.045 177.584 0.107 0.000 1.062 13 A CA -0.952 51.145 52.037 0.099 0.000 0.686 13 A CB 1.036 20.096 19.000 0.100 0.000 1.285 13 A HN 0.536 nan 8.150 nan 0.000 0.403 14 D N 0.629 121.085 120.400 0.094 0.000 2.348 14 D HA 0.415 5.052 4.640 -0.004 0.000 0.253 14 D C -0.402 175.962 176.300 0.107 0.000 1.161 14 D CA 0.517 54.579 54.000 0.102 0.000 0.876 14 D CB 1.627 42.472 40.800 0.076 0.000 1.160 14 D HN 0.371 nan 8.370 nan 0.000 0.459 15 V N 1.881 121.876 119.914 0.134 0.000 2.876 15 V HA 0.626 4.743 4.120 -0.004 0.000 0.312 15 V C -0.741 175.425 176.094 0.121 0.000 1.085 15 V CA -0.515 61.849 62.300 0.106 0.000 0.945 15 V CB 2.354 34.222 31.823 0.075 0.000 1.017 15 V HN 0.590 nan 8.190 nan 0.000 0.428 16 T N 6.978 121.580 114.554 0.079 0.000 3.150 16 T HA 0.515 4.862 4.350 -0.004 0.000 0.383 16 T C -1.866 172.865 174.700 0.052 0.000 1.313 16 T CA -0.935 61.229 62.100 0.108 0.000 1.235 16 T CB 1.231 70.161 68.868 0.104 0.000 1.088 16 T HN 0.695 nan 8.240 nan 0.000 0.556 17 P HA 0.233 nan 4.420 nan 0.000 0.238 17 P C 0.362 177.668 177.300 0.010 0.000 1.183 17 P CA 0.445 63.486 63.100 -0.099 0.000 0.813 17 P CB 0.391 31.862 31.700 -0.382 0.000 0.944 18 D N -1.780 118.709 120.400 0.149 0.000 2.535 18 D HA 0.231 4.868 4.640 -0.004 0.000 0.229 18 D C 1.264 177.822 176.300 0.429 0.000 1.238 18 D CA 0.049 54.233 54.000 0.308 0.000 0.824 18 D CB -0.160 40.922 40.800 0.471 0.000 1.045 18 D HN 0.201 nan 8.370 nan 0.000 0.500 19 G N 0.356 109.345 108.800 0.315 0.000 2.217 19 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.246 19 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.246 19 G C -0.179 174.948 174.900 0.378 0.000 0.990 19 G CA 0.005 45.285 45.100 0.300 0.000 0.627 19 G HN 0.416 nan 8.290 nan 0.000 0.522 20 F N 2.350 122.471 119.950 0.285 0.000 2.426 20 F HA 0.654 5.178 4.527 -0.005 0.000 0.348 20 F C 0.500 176.364 175.800 0.107 0.000 1.124 20 F CA -0.165 57.891 58.000 0.093 0.000 1.008 20 F CB 1.947 40.774 39.000 -0.288 0.000 1.139 20 F HN 0.032 nan 8.300 nan 0.000 0.452 21 T N 6.207 120.713 114.554 -0.080 0.000 2.780 21 T HA 0.558 4.905 4.350 -0.004 0.000 0.294 21 T C -0.633 174.138 174.700 0.118 0.000 0.949 21 T CA -0.369 61.756 62.100 0.041 0.000 1.074 21 T CB 0.037 68.879 68.868 -0.043 0.000 0.910 21 T HN 0.835 nan 8.240 nan 0.000 0.501 22 R N 3.179 123.850 120.500 0.284 0.000 2.643 22 R HA 0.766 5.103 4.340 -0.004 0.000 0.269 22 R C -0.950 175.479 176.300 0.215 0.000 1.037 22 R CA -0.869 55.393 56.100 0.271 0.000 0.894 22 R CB 0.701 31.225 30.300 0.373 0.000 1.238 22 R HN 0.574 nan 8.270 nan 0.000 0.459 23 A N 1.688 124.594 122.820 0.144 0.000 2.462 23 A HA 0.652 4.969 4.320 -0.004 0.000 0.243 23 A C -0.096 177.568 177.584 0.133 0.000 1.076 23 A CA 0.421 52.532 52.037 0.122 0.000 0.773 23 A CB -0.048 19.002 19.000 0.085 0.000 1.010 23 A HN 1.105 nan 8.150 nan 0.000 0.493 24 A N 1.544 124.452 122.820 0.148 0.000 2.564 24 A HA 0.688 5.005 4.320 -0.004 0.000 0.288 24 A C -0.883 176.791 177.584 0.149 0.000 1.164 24 A CA -0.494 51.638 52.037 0.157 0.000 0.712 24 A CB 0.942 20.094 19.000 0.253 0.000 1.303 24 A HN 1.153 nan 8.150 nan 0.000 0.418 25 V N 0.572 120.581 119.914 0.158 0.000 2.383 25 V HA 0.575 4.693 4.120 -0.004 0.000 0.275 25 V C -0.302 175.928 176.094 0.226 0.000 1.036 25 V CA -0.264 62.138 62.300 0.169 0.000 0.889 25 V CB 0.889 32.803 31.823 0.153 0.000 0.985 25 V HN 0.779 nan 8.190 nan 0.000 0.459 26 V N 4.337 124.383 119.914 0.220 0.000 2.925 26 V HA 0.887 5.005 4.120 -0.004 0.000 0.311 26 V C -0.160 176.075 176.094 0.235 0.000 1.104 26 V CA -0.445 62.013 62.300 0.263 0.000 0.954 26 V CB 2.420 34.398 31.823 0.260 0.000 1.022 26 V HN 1.003 nan 8.190 nan 0.000 0.427 27 A N 3.696 126.673 122.820 0.262 0.000 2.274 27 A HA 0.640 4.957 4.320 -0.004 0.000 0.309 27 A C 0.553 178.263 177.584 0.210 0.000 1.226 27 A CA -0.185 52.000 52.037 0.248 0.000 0.853 27 A CB 0.050 19.248 19.000 0.330 0.000 1.146 27 A HN 1.294 nan 8.150 nan 0.000 0.518 28 N N 0.992 119.795 118.700 0.173 0.000 2.721 28 N HA -0.243 4.495 4.740 -0.004 0.000 0.249 28 N C 1.186 176.776 175.510 0.133 0.000 1.072 28 N CA 2.555 55.691 53.050 0.142 0.000 0.710 28 N CB -1.193 37.376 38.487 0.137 0.000 0.993 28 N HN 1.957 nan 8.380 nan 0.000 0.547 29 G N -2.137 106.747 108.800 0.141 0.000 2.609 29 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.235 29 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.235 29 G C 0.220 175.206 174.900 0.143 0.000 1.177 29 G CA 0.590 45.768 45.100 0.130 0.000 0.707 29 G HN 0.890 nan 8.290 nan 0.000 0.513 30 V N 1.569 121.567 119.914 0.141 0.000 2.509 30 V HA 0.714 4.831 4.120 -0.004 0.000 0.284 30 V C -0.208 175.995 176.094 0.183 0.000 1.047 30 V CA -0.527 61.855 62.300 0.137 0.000 0.952 30 V CB 1.313 33.192 31.823 0.092 0.000 0.988 30 V HN 0.688 nan 8.190 nan 0.000 0.469 31 F N 8.526 128.491 119.950 0.025 0.000 2.458 31 F HA 0.796 5.321 4.527 -0.004 0.000 0.336 31 F C -2.166 173.602 175.800 -0.054 0.000 1.114 31 F CA -2.355 55.644 58.000 -0.003 0.000 0.987 31 F CB 1.784 40.755 39.000 -0.048 0.000 1.130 31 F HN 0.420 nan 8.300 nan 0.000 0.458 32 P HA 0.269 nan 4.420 nan 0.000 0.274 32 P C -0.179 176.975 177.300 -0.244 0.000 1.231 32 P CA -0.305 62.228 63.100 -0.945 0.000 0.790 32 P CB 0.595 31.813 31.700 -0.802 0.000 0.951 33 G N 2.606 111.370 108.800 -0.060 0.000 2.568 33 G HA2 0.121 4.078 3.960 -0.004 0.000 0.231 33 G HA3 0.121 4.078 3.960 -0.004 0.000 0.231 33 G C -2.220 172.795 174.900 0.192 0.000 1.261 33 G CA -0.636 44.561 45.100 0.161 0.000 0.855 33 G HN 0.412 nan 8.290 nan 0.000 0.576 34 P HA 0.039 nan 4.420 nan 0.000 0.268 34 P C 0.085 177.550 177.300 0.276 0.000 1.205 34 P CA -0.535 62.689 63.100 0.206 0.000 0.771 34 P CB 0.872 32.677 31.700 0.175 0.000 0.858 35 L N 4.387 125.729 121.223 0.197 0.000 2.562 35 L HA 0.074 4.411 4.340 -0.004 0.000 0.271 35 L C -0.010 176.991 176.870 0.218 0.000 1.167 35 L CA 0.401 55.371 54.840 0.216 0.000 0.917 35 L CB -0.775 41.374 42.059 0.149 0.000 1.187 35 L HN 0.203 nan 8.230 nan 0.000 0.482 36 I N 5.148 125.870 120.570 0.252 0.000 2.352 36 I HA 0.259 4.427 4.170 -0.004 0.000 0.290 36 I C 0.366 176.613 176.117 0.217 0.000 1.036 36 I CA -0.269 61.139 61.300 0.180 0.000 1.336 36 I CB 0.827 38.876 38.000 0.082 0.000 1.407 36 I HN 0.690 nan 8.210 nan 0.000 0.497 37 T N 2.279 116.981 114.554 0.246 0.000 2.888 37 T HA 0.877 5.224 4.350 -0.004 0.000 0.284 37 T C -0.118 174.783 174.700 0.334 0.000 1.017 37 T CA -0.861 61.420 62.100 0.302 0.000 1.022 37 T CB 2.168 71.258 68.868 0.370 0.000 1.013 37 T HN 0.818 nan 8.240 nan 0.000 0.465 38 G N 1.318 110.337 108.800 0.366 0.000 2.623 38 G HA2 0.554 4.512 3.960 -0.004 0.000 0.290 38 G HA3 0.554 4.512 3.960 -0.004 0.000 0.290 38 G C -1.715 173.322 174.900 0.229 0.000 1.437 38 G CA -0.985 44.212 45.100 0.163 0.000 0.798 38 G HN 0.722 nan 8.290 nan 0.000 0.488 39 N N 0.255 118.998 118.700 0.071 0.000 2.443 39 N HA 0.273 5.010 4.740 -0.004 0.000 0.293 39 N C -0.381 175.183 175.510 0.090 0.000 1.159 39 N CA -0.717 52.406 53.050 0.122 0.000 0.904 39 N CB 2.444 40.970 38.487 0.065 0.000 1.214 39 N HN 0.596 nan 8.380 nan 0.000 0.513 40 K N 0.359 120.833 120.400 0.123 0.000 2.466 40 K HA 0.036 4.353 4.320 -0.004 0.000 0.278 40 K C 0.803 177.434 176.600 0.051 0.000 1.048 40 K CA 1.011 57.363 56.287 0.108 0.000 1.088 40 K CB -0.329 32.234 32.500 0.106 0.000 0.884 40 K HN 0.794 nan 8.250 nan 0.000 0.478 41 G N 3.318 112.145 108.800 0.044 0.000 2.175 41 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.244 41 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.244 41 G C -0.412 174.456 174.900 -0.053 0.000 0.982 41 G CA 0.152 45.254 45.100 0.002 0.000 0.641 41 G HN 0.722 nan 8.290 nan 0.000 0.527 42 D N 0.254 120.589 120.400 -0.109 0.000 2.372 42 D HA 0.420 5.058 4.640 -0.004 0.000 0.243 42 D C 0.458 176.556 176.300 -0.336 0.000 1.121 42 D CA -0.067 53.770 54.000 -0.271 0.000 0.898 42 D CB 0.634 41.170 40.800 -0.440 0.000 1.202 42 D HN 0.284 nan 8.370 nan 0.000 0.428 43 N N 1.798 120.298 118.700 -0.333 0.000 2.469 43 N HA 0.119 4.856 4.740 -0.004 0.000 0.239 43 N C -1.311 173.930 175.510 -0.449 0.000 1.053 43 N CA -0.407 52.467 53.050 -0.294 0.000 0.937 43 N CB -0.143 38.240 38.487 -0.172 0.000 1.163 43 N HN 0.160 nan 8.380 nan 0.000 0.509 44 F N 1.776 121.395 119.950 -0.552 0.000 2.495 44 F HA 0.188 4.712 4.527 -0.004 0.000 0.365 44 F C 0.845 176.262 175.800 -0.638 0.000 1.090 44 F CA 0.212 57.780 58.000 -0.721 0.000 1.235 44 F CB 0.801 39.051 39.000 -1.250 0.000 1.119 44 F HN 0.310 nan 8.300 nan 0.000 0.562 45 Q N 5.167 124.841 119.800 -0.211 0.000 2.337 45 Q HA 0.488 4.826 4.340 -0.004 0.000 0.264 45 Q C -1.088 174.886 176.000 -0.044 0.000 1.007 45 Q CA -0.372 55.365 55.803 -0.110 0.000 0.727 45 Q CB 2.406 31.100 28.738 -0.073 0.000 1.256 45 Q HN 0.595 nan 8.270 nan 0.000 0.467 46 I N 2.363 122.945 120.570 0.019 0.000 2.382 46 I HA 0.199 4.367 4.170 -0.004 0.000 0.285 46 I C -0.344 175.910 176.117 0.229 0.000 1.007 46 I CA -0.752 60.603 61.300 0.091 0.000 1.142 46 I CB 1.241 39.247 38.000 0.010 0.000 1.289 46 I HN 0.427 nan 8.210 nan 0.000 0.453 47 N N 6.461 125.260 118.700 0.165 0.000 2.439 47 N HA 0.181 4.919 4.740 -0.004 0.000 0.243 47 N C -0.833 174.822 175.510 0.242 0.000 1.088 47 N CA -0.182 52.975 53.050 0.177 0.000 0.940 47 N CB 0.790 39.338 38.487 0.102 0.000 1.180 47 N HN 0.249 nan 8.380 nan 0.000 0.505 48 V N 5.576 125.714 119.914 0.373 0.000 2.405 48 V HA 0.214 4.331 4.120 -0.004 0.000 0.264 48 V C 0.543 176.809 176.094 0.287 0.000 1.048 48 V CA -0.337 62.186 62.300 0.371 0.000 0.966 48 V CB -0.104 32.041 31.823 0.536 0.000 1.015 48 V HN 0.490 nan 8.190 nan 0.000 0.477 49 I N 4.283 124.980 120.570 0.211 0.000 2.312 49 I HA 0.315 4.482 4.170 -0.004 0.000 0.290 49 I C -0.081 176.129 176.117 0.155 0.000 1.008 49 I CA -0.306 61.095 61.300 0.169 0.000 1.226 49 I CB 1.281 39.360 38.000 0.132 0.000 1.371 49 I HN 0.453 nan 8.210 nan 0.000 0.468 50 D N 6.462 126.949 120.400 0.145 0.000 2.380 50 D HA 0.189 4.826 4.640 -0.004 0.000 0.230 50 D C -0.465 175.898 176.300 0.105 0.000 1.154 50 D CA -0.140 53.936 54.000 0.126 0.000 0.859 50 D CB 0.559 41.430 40.800 0.118 0.000 1.045 50 D HN 0.328 nan 8.370 nan 0.000 0.495 51 N N 4.779 123.541 118.700 0.102 0.000 2.757 51 N HA 0.204 4.941 4.740 -0.004 0.000 0.296 51 N C -0.908 174.653 175.510 0.086 0.000 1.874 51 N CA -0.251 52.852 53.050 0.088 0.000 0.885 51 N CB 0.681 39.220 38.487 0.087 0.000 1.242 51 N HN 0.413 nan 8.380 nan 0.000 0.488 52 L N 0.307 121.579 121.223 0.083 0.000 2.329 52 L HA 0.466 4.803 4.340 -0.004 0.000 0.279 52 L C 1.454 178.366 176.870 0.069 0.000 1.014 52 L CA -0.341 54.547 54.840 0.081 0.000 0.814 52 L CB 1.911 44.022 42.059 0.087 0.000 1.257 52 L HN 0.188 nan 8.230 nan 0.000 0.424 53 T N -2.947 111.646 114.554 0.065 0.000 2.975 53 T HA 0.101 4.448 4.350 -0.004 0.000 0.257 53 T C 0.591 175.322 174.700 0.052 0.000 1.003 53 T CA -0.232 61.901 62.100 0.056 0.000 0.932 53 T CB 0.094 68.993 68.868 0.052 0.000 1.087 53 T HN 0.357 nan 8.240 nan 0.000 0.512 54 N N 1.349 120.084 118.700 0.057 0.000 2.439 54 N HA 0.527 5.264 4.740 -0.004 0.000 0.249 54 N C 1.075 176.617 175.510 0.053 0.000 1.003 54 N CA 0.165 53.246 53.050 0.052 0.000 0.942 54 N CB 1.652 40.171 38.487 0.054 0.000 1.115 54 N HN 0.303 nan 8.380 nan 0.000 0.505 55 A N 2.863 125.712 122.820 0.048 0.000 1.968 55 A HA -0.073 4.244 4.320 -0.004 0.000 0.217 55 A C 1.824 179.438 177.584 0.051 0.000 1.169 55 A CA 1.431 53.500 52.037 0.054 0.000 0.638 55 A CB -0.330 18.696 19.000 0.044 0.000 0.812 55 A HN 0.669 nan 8.150 nan 0.000 0.446 56 T N -0.040 114.535 114.554 0.036 0.000 2.915 56 T HA -0.025 4.322 4.350 -0.004 0.000 0.269 56 T C 1.485 176.200 174.700 0.025 0.000 1.071 56 T CA 1.509 63.624 62.100 0.024 0.000 1.132 56 T CB -0.236 68.640 68.868 0.013 0.000 0.878 56 T HN 0.457 nan 8.240 nan 0.000 0.479 57 M N 0.718 120.340 119.600 0.036 0.000 2.383 57 M HA 0.360 4.837 4.480 -0.004 0.000 0.247 57 M C -0.759 175.575 176.300 0.056 0.000 1.117 57 M CA 0.018 55.341 55.300 0.038 0.000 0.995 57 M CB 0.172 32.798 32.600 0.044 0.000 1.480 57 M HN 0.082 nan 8.290 nan 0.000 0.485 58 L N -0.019 121.244 121.223 0.067 0.000 1.096 58 L HA -0.232 4.106 4.340 -0.004 0.000 0.399 58 L C 0.455 177.375 176.870 0.082 0.000 1.003 58 L CA -0.100 54.791 54.840 0.085 0.000 1.217 58 L CB -0.540 41.572 42.059 0.088 0.000 0.817 58 L HN 0.273 nan 8.230 nan 0.000 0.447 59 K N 0.018 120.469 120.400 0.085 0.000 2.243 59 K HA 0.026 4.343 4.320 -0.004 0.000 0.201 59 K C 0.951 177.597 176.600 0.076 0.000 1.051 59 K CA 1.342 57.676 56.287 0.078 0.000 0.970 59 K CB 0.126 32.669 32.500 0.072 0.000 0.755 59 K HN 0.798 nan 8.250 nan 0.000 0.465 60 T N -1.311 113.288 114.554 0.075 0.000 2.913 60 T HA 0.307 4.654 4.350 -0.004 0.000 0.287 60 T C 0.110 174.839 174.700 0.048 0.000 1.008 60 T CA -0.627 61.515 62.100 0.070 0.000 1.067 60 T CB 1.958 70.892 68.868 0.110 0.000 0.996 60 T HN -0.096 nan 8.240 nan 0.000 0.513 61 T N -0.187 114.383 114.554 0.026 0.000 2.816 61 T HA 0.659 5.006 4.350 -0.004 0.000 0.299 61 T C -1.485 173.206 174.700 -0.015 0.000 1.230 61 T CA -0.505 61.610 62.100 0.025 0.000 1.007 61 T CB 2.026 70.939 68.868 0.075 0.000 1.289 61 T HN 1.063 nan 8.240 nan 0.000 0.508 62 T N 2.066 116.614 114.554 -0.011 0.000 3.097 62 T HA 0.619 4.966 4.350 -0.004 0.000 0.332 62 T C -1.701 172.951 174.700 -0.081 0.000 1.269 62 T CA -0.537 61.557 62.100 -0.009 0.000 1.076 62 T CB 0.594 69.406 68.868 -0.094 0.000 1.209 62 T HN 0.542 nan 8.240 nan 0.000 0.474 63 I N 4.285 124.718 120.570 -0.230 0.000 2.378 63 I HA 0.412 4.579 4.170 -0.004 0.000 0.291 63 I C -0.174 175.284 176.117 -1.099 0.000 0.992 63 I CA -0.968 59.942 61.300 -0.651 0.000 1.154 63 I CB 1.666 39.182 38.000 -0.806 0.000 1.315 63 I HN 0.710 nan 8.210 nan 0.000 0.448 64 H N 5.429 123.861 119.070 -1.063 0.000 2.472 64 H HA 0.400 4.953 4.556 -0.004 0.000 0.335 64 H C -1.674 172.897 175.328 -1.262 0.000 1.136 64 H CA -0.703 54.705 56.048 -1.066 0.000 1.264 64 H CB 0.944 30.360 29.762 -0.576 0.000 1.486 64 H HN 0.405 nan 8.280 nan 0.000 0.517 65 W N 4.371 124.972 121.300 -1.165 0.000 2.394 65 W HA 0.216 4.874 4.660 -0.004 0.000 0.312 65 W C -0.451 175.424 176.519 -1.072 0.000 0.981 65 W CA -0.986 55.825 57.345 -0.890 0.000 1.519 65 W CB -0.051 28.962 29.460 -0.746 0.000 1.304 65 W HN 0.678 nan 8.180 nan 0.000 0.412 66 H N 1.565 120.108 119.070 -0.878 0.000 3.046 66 H HA 0.334 4.888 4.556 -0.005 0.000 0.303 66 H C 1.426 176.619 175.328 -0.225 0.000 1.002 66 H CA 2.253 57.940 56.048 -0.603 0.000 1.460 66 H CB 0.590 29.952 29.762 -0.668 0.000 1.493 66 H HN 0.796 nan 8.280 nan 0.000 0.559 67 G N 3.925 112.561 108.800 -0.273 0.000 2.217 67 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.246 67 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.246 67 G C -0.390 174.271 174.900 -0.397 0.000 0.990 67 G CA -0.015 45.039 45.100 -0.077 0.000 0.627 67 G HN 0.541 nan 8.290 nan 0.000 0.522 68 L N 1.440 122.334 121.223 -0.549 0.000 2.313 68 L HA 0.528 4.865 4.340 -0.004 0.000 0.282 68 L C 1.656 178.319 176.870 -0.345 0.000 1.092 68 L CA -0.373 54.177 54.840 -0.483 0.000 0.831 68 L CB -0.104 41.663 42.059 -0.487 0.000 1.159 68 L HN 0.119 nan 8.230 nan 0.000 0.442 69 F N 1.325 121.084 119.950 -0.318 0.000 2.269 69 F HA -0.156 4.368 4.527 -0.005 0.000 0.301 69 F C 1.239 176.737 175.800 -0.504 0.000 1.082 69 F CA 0.436 58.157 58.000 -0.464 0.000 1.360 69 F CB 0.072 38.876 39.000 -0.327 0.000 1.041 69 F HN 0.513 nan 8.300 nan 0.000 0.512 70 Q N 0.150 119.906 119.800 -0.074 0.000 2.452 70 Q HA -0.268 4.069 4.340 -0.004 0.000 0.318 70 Q C -0.761 175.281 176.000 0.071 0.000 1.386 70 Q CA 0.606 56.395 55.803 -0.022 0.000 0.872 70 Q CB -2.528 26.219 28.738 0.015 0.000 1.151 70 Q HN 0.566 nan 8.270 nan 0.000 0.417 71 H N -0.481 118.679 119.070 0.149 0.000 2.886 71 H HA 0.247 4.800 4.556 -0.005 0.000 0.329 71 H C 1.612 177.018 175.328 0.129 0.000 1.044 71 H CA 1.643 57.783 56.048 0.154 0.000 1.456 71 H CB 0.661 30.475 29.762 0.088 0.000 1.464 71 H HN 0.539 nan 8.280 nan 0.000 0.573 72 G N 2.685 111.633 108.800 0.246 0.000 2.220 72 G HA2 -0.359 3.598 3.960 -0.004 0.000 0.269 72 G HA3 -0.359 3.598 3.960 -0.004 0.000 0.269 72 G C 0.820 175.827 174.900 0.178 0.000 0.977 72 G CA 0.909 46.123 45.100 0.189 0.000 0.634 72 G HN 0.851 nan 8.290 nan 0.000 0.539 73 T N -2.429 112.160 114.554 0.058 0.000 3.448 73 T HA 0.406 4.753 4.350 -0.004 0.000 0.271 73 T C 1.028 175.422 174.700 -0.510 0.000 1.002 73 T CA 0.514 62.452 62.100 -0.270 0.000 0.995 73 T CB 0.405 69.108 68.868 -0.274 0.000 1.153 73 T HN 0.176 nan 8.240 nan 0.000 0.510 74 N N 1.755 120.311 118.700 -0.240 0.000 2.223 74 N HA -0.104 4.633 4.740 -0.004 0.000 0.185 74 N C 1.760 177.067 175.510 -0.338 0.000 1.016 74 N CA 1.736 54.605 53.050 -0.302 0.000 0.863 74 N CB -0.107 38.130 38.487 -0.417 0.000 0.983 74 N HN 0.836 nan 8.380 nan 0.000 0.429 75 W N 0.586 121.690 121.300 -0.325 0.000 2.350 75 W HA 0.008 4.666 4.660 -0.005 0.000 0.289 75 W C 1.362 177.885 176.519 0.007 0.000 1.215 75 W CA 0.767 57.830 57.345 -0.471 0.000 1.236 75 W CB -1.087 27.696 29.460 -1.128 0.000 1.130 75 W HN 0.037 nan 8.180 nan 0.000 0.541 76 A N 0.872 123.238 122.820 -0.757 0.000 2.302 76 A HA 0.000 4.318 4.320 -0.004 0.000 0.219 76 A C 1.454 179.091 177.584 0.088 0.000 1.243 76 A CA 1.140 52.967 52.037 -0.350 0.000 0.856 76 A CB -0.874 17.499 19.000 -1.045 0.000 0.893 76 A HN 0.232 nan 8.150 nan 0.000 0.491 77 D N -1.143 119.280 120.400 0.039 0.000 2.137 77 D HA 0.216 4.853 4.640 -0.004 0.000 0.202 77 D C 1.535 177.927 176.300 0.153 0.000 0.970 77 D CA 2.229 56.316 54.000 0.144 0.000 0.837 77 D CB 0.147 41.082 40.800 0.225 0.000 0.981 77 D HN 0.441 nan 8.370 nan 0.000 0.475 78 G N -1.107 107.733 108.800 0.065 0.000 3.151 78 G HA2 -0.173 3.784 3.960 -0.004 0.000 0.197 78 G HA3 -0.173 3.784 3.960 -0.004 0.000 0.197 78 G C -1.985 172.794 174.900 -0.202 0.000 1.682 78 G CA -0.293 44.765 45.100 -0.070 0.000 1.205 78 G HN 0.215 nan 8.290 nan 0.000 0.510 79 P HA 0.334 nan 4.420 nan 0.000 0.257 79 P C 0.314 177.442 177.300 -0.286 0.000 1.144 79 P CA 1.214 63.969 63.100 -0.575 0.000 0.761 79 P CB 0.414 31.707 31.700 -0.678 0.000 0.734 80 A N 4.808 127.514 122.820 -0.191 0.000 2.492 80 A HA 0.295 4.613 4.320 -0.004 0.000 0.254 80 A C 0.467 177.818 177.584 -0.388 0.000 1.091 80 A CA -0.063 51.681 52.037 -0.488 0.000 0.768 80 A CB -1.077 17.585 19.000 -0.563 0.000 1.028 80 A HN 0.585 nan 8.150 nan 0.000 0.498 81 F N -0.002 119.833 119.950 -0.192 0.000 2.914 81 F HA -0.235 4.290 4.527 -0.004 0.000 0.304 81 F C 1.027 176.697 175.800 -0.218 0.000 0.712 81 F CA 0.936 58.829 58.000 -0.179 0.000 1.211 81 F CB -2.019 36.901 39.000 -0.132 0.000 1.515 81 F HN 0.297 nan 8.300 nan 0.000 0.350 82 V N -1.520 118.283 119.914 -0.185 0.000 2.996 82 V HA 0.099 4.216 4.120 -0.004 0.000 0.235 82 V C 1.375 177.345 176.094 -0.207 0.000 1.205 82 V CA 1.725 63.838 62.300 -0.312 0.000 1.225 82 V CB 0.332 31.734 31.823 -0.701 0.000 0.995 82 V HN 0.338 nan 8.190 nan 0.000 0.484 83 N N -0.186 118.411 118.700 -0.172 0.000 2.317 83 N HA 0.186 4.924 4.740 -0.004 0.000 0.199 83 N C 0.228 175.889 175.510 0.252 0.000 1.145 83 N CA -0.033 52.999 53.050 -0.029 0.000 0.882 83 N CB 0.735 39.158 38.487 -0.107 0.000 1.113 83 N HN 0.648 nan 8.380 nan 0.000 0.486 84 Q N -0.969 118.867 119.800 0.061 0.000 2.633 84 Q HA 0.426 4.763 4.340 -0.004 0.000 0.289 84 Q C -1.661 174.088 176.000 -0.420 0.000 0.940 84 Q CA -0.902 54.886 55.803 -0.024 0.000 0.785 84 Q CB 0.837 29.620 28.738 0.075 0.000 1.467 84 Q HN -0.087 nan 8.270 nan 0.000 0.401 85 c N 2.096 120.343 118.600 -0.589 0.000 2.539 85 c HA 0.560 5.127 4.570 -0.004 0.000 0.392 85 c C -2.069 171.563 174.090 -0.763 0.000 1.269 85 c CA -0.694 55.179 56.329 -0.759 0.000 2.250 85 c CB 0.086 42.243 42.510 -0.588 0.000 2.584 85 c HN 0.627 nan 8.230 nan 0.000 0.589 86 P HA 0.245 nan 4.420 nan 0.000 0.272 86 P C -0.700 176.405 177.300 -0.326 0.000 1.223 86 P CA 0.019 62.767 63.100 -0.587 0.000 0.784 86 P CB 0.279 31.637 31.700 -0.569 0.000 0.923 87 I N 0.860 121.319 120.570 -0.184 0.000 2.474 87 I HA 0.303 4.470 4.170 -0.004 0.000 0.287 87 I C 0.926 177.060 176.117 0.028 0.000 1.048 87 I CA -0.488 60.765 61.300 -0.078 0.000 1.383 87 I CB 0.544 38.543 38.000 -0.003 0.000 1.412 87 I HN 0.296 nan 8.210 nan 0.000 0.531 88 A N 4.716 127.570 122.820 0.057 0.000 2.351 88 A HA 0.343 4.660 4.320 -0.004 0.000 0.257 88 A C 0.314 177.940 177.584 0.070 0.000 1.087 88 A CA -0.301 51.780 52.037 0.074 0.000 0.798 88 A CB 0.650 19.687 19.000 0.062 0.000 1.033 88 A HN 0.692 nan 8.150 nan 0.000 0.488 89 S N 0.218 115.957 115.700 0.065 0.000 2.533 89 S HA 0.445 4.912 4.470 -0.004 0.000 0.282 89 S C 1.372 176.009 174.600 0.062 0.000 1.304 89 S CA 1.009 59.249 58.200 0.067 0.000 1.063 89 S CB 0.028 63.265 63.200 0.062 0.000 0.881 89 S HN 2.371 nan 8.310 nan 0.000 0.493 90 G N 4.464 113.305 108.800 0.068 0.000 2.213 90 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.236 90 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.236 90 G C 0.028 174.969 174.900 0.069 0.000 0.991 90 G CA -0.075 45.062 45.100 0.063 0.000 0.629 90 G HN 0.664 nan 8.290 nan 0.000 0.517 91 N N 0.406 119.153 118.700 0.079 0.000 2.502 91 N HA 0.755 5.492 4.740 -0.004 0.000 0.280 91 N C 0.084 175.667 175.510 0.121 0.000 1.223 91 N CA 0.350 53.454 53.050 0.091 0.000 0.966 91 N CB 1.643 40.181 38.487 0.085 0.000 1.203 91 N HN 0.733 nan 8.380 nan 0.000 0.565 92 S N -0.926 114.858 115.700 0.141 0.000 2.599 92 S HA 0.780 5.247 4.470 -0.004 0.000 0.287 92 S C -1.232 173.525 174.600 0.262 0.000 1.105 92 S CA -0.811 57.500 58.200 0.184 0.000 0.899 92 S CB 1.648 64.932 63.200 0.140 0.000 1.100 92 S HN 0.465 nan 8.310 nan 0.000 0.482 93 F N 1.225 121.239 119.950 0.107 0.000 2.588 93 F HA 0.668 5.192 4.527 -0.004 0.000 0.314 93 F C -1.824 174.051 175.800 0.125 0.000 1.134 93 F CA -0.962 57.084 58.000 0.078 0.000 0.961 93 F CB 1.610 40.628 39.000 0.031 0.000 1.239 93 F HN 0.766 nan 8.300 nan 0.000 0.448 94 L N 6.557 127.369 121.223 -0.684 0.000 2.282 94 L HA 0.495 4.832 4.340 -0.004 0.000 0.288 94 L C -1.772 174.856 176.870 -0.403 0.000 1.033 94 L CA -0.280 54.358 54.840 -0.336 0.000 0.807 94 L CB 0.718 42.656 42.059 -0.202 0.000 1.209 94 L HN 0.582 nan 8.230 nan 0.000 0.423 95 Y N 3.601 123.969 120.300 0.114 0.000 2.504 95 Y HA 0.320 4.867 4.550 -0.005 0.000 0.339 95 Y C -0.224 175.830 175.900 0.256 0.000 0.974 95 Y CA -0.434 57.869 58.100 0.339 0.000 1.232 95 Y CB 0.798 39.581 38.460 0.540 0.000 1.108 95 Y HN 0.510 nan 8.280 nan 0.000 0.509 96 D N 5.794 126.480 120.400 0.477 0.000 2.472 96 D HA 0.232 4.869 4.640 -0.004 0.000 0.234 96 D C -1.328 175.152 176.300 0.300 0.000 1.088 96 D CA -0.266 53.907 54.000 0.289 0.000 0.882 96 D CB -0.059 40.926 40.800 0.308 0.000 1.037 96 D HN 0.320 nan 8.370 nan 0.000 0.520 97 F N 0.008 119.954 119.950 -0.007 0.000 2.578 97 F HA 0.527 5.052 4.527 -0.004 0.000 0.311 97 F C -0.223 175.598 175.800 0.035 0.000 1.094 97 F CA -1.142 56.836 58.000 -0.036 0.000 0.923 97 F CB 1.527 40.420 39.000 -0.178 0.000 1.230 97 F HN -0.070 nan 8.300 nan 0.000 0.450 98 T N 1.617 116.243 114.554 0.120 0.000 2.928 98 T HA 0.640 4.987 4.350 -0.004 0.000 0.284 98 T C -1.113 173.698 174.700 0.185 0.000 1.008 98 T CA -0.466 61.676 62.100 0.071 0.000 1.057 98 T CB 1.246 70.137 68.868 0.038 0.000 1.018 98 T HN 0.621 nan 8.240 nan 0.000 0.493 99 V N 8.168 128.186 119.914 0.173 0.000 2.289 99 V HA 0.340 4.457 4.120 -0.004 0.000 0.272 99 V C -1.715 174.453 176.094 0.123 0.000 1.026 99 V CA -1.237 61.179 62.300 0.194 0.000 0.807 99 V CB 1.152 33.138 31.823 0.271 0.000 1.044 99 V HN 0.766 nan 8.190 nan 0.000 0.443 100 P HA 0.179 nan 4.420 nan 0.000 0.236 100 P C 0.360 177.674 177.300 0.022 0.000 1.174 100 P CA 0.521 63.643 63.100 0.037 0.000 0.840 100 P CB 0.833 32.538 31.700 0.009 0.000 0.947 101 D N -0.615 119.791 120.400 0.009 0.000 2.462 101 D HA 0.165 4.803 4.640 -0.004 0.000 0.221 101 D C 0.264 176.588 176.300 0.040 0.000 1.173 101 D CA 0.254 54.239 54.000 -0.025 0.000 0.831 101 D CB 0.702 41.418 40.800 -0.140 0.000 1.001 101 D HN 0.267 nan 8.370 nan 0.000 0.499 102 Q N 0.294 120.170 119.800 0.126 0.000 2.347 102 Q HA 0.736 5.074 4.340 -0.004 0.000 0.271 102 Q C -1.230 174.938 176.000 0.280 0.000 1.064 102 Q CA -0.808 55.143 55.803 0.247 0.000 0.800 102 Q CB 3.141 32.067 28.738 0.313 0.000 1.304 102 Q HN 0.029 nan 8.270 nan 0.000 0.438 103 A N 1.611 124.605 122.820 0.290 0.000 2.530 103 A HA 0.872 5.189 4.320 -0.004 0.000 0.279 103 A C -0.253 177.406 177.584 0.126 0.000 1.109 103 A CA 0.216 52.379 52.037 0.211 0.000 0.763 103 A CB 0.955 20.047 19.000 0.155 0.000 1.257 103 A HN 0.878 nan 8.150 nan 0.000 0.424 104 G N 0.365 109.185 108.800 0.034 0.000 2.291 104 G HA2 0.437 4.395 3.960 -0.004 0.000 0.249 104 G HA3 0.437 4.395 3.960 -0.004 0.000 0.249 104 G C -0.613 173.976 174.900 -0.518 0.000 1.340 104 G CA 0.039 45.011 45.100 -0.212 0.000 1.017 104 G HN 1.100 nan 8.290 nan 0.000 0.470 105 T N 1.065 115.189 114.554 -0.717 0.000 2.767 105 T HA 0.751 5.098 4.350 -0.004 0.000 0.284 105 T C -0.912 173.263 174.700 -0.876 0.000 0.973 105 T CA 0.127 61.863 62.100 -0.607 0.000 0.996 105 T CB 0.969 69.627 68.868 -0.350 0.000 0.927 105 T HN 0.465 nan 8.240 nan 0.000 0.456 106 F N 0.841 120.812 119.950 0.035 0.000 2.790 106 F HA 0.823 5.347 4.527 -0.005 0.000 0.337 106 F C -0.982 174.969 175.800 0.251 0.000 1.163 106 F CA -1.230 56.849 58.000 0.131 0.000 0.997 106 F CB 1.506 40.550 39.000 0.073 0.000 1.437 106 F HN 0.657 nan 8.300 nan 0.000 0.512 107 W N 0.734 122.139 121.300 0.176 0.000 3.146 107 W HA 0.602 5.259 4.660 -0.005 0.000 0.319 107 W C -2.527 174.067 176.519 0.124 0.000 1.258 107 W CA -1.861 55.517 57.345 0.055 0.000 1.189 107 W CB 0.322 29.694 29.460 -0.146 0.000 1.412 107 W HN 0.616 nan 8.180 nan 0.000 0.567 108 Y N 0.807 121.102 120.300 -0.009 0.000 2.409 108 Y HA 0.757 5.304 4.550 -0.005 0.000 0.343 108 Y C -0.793 174.910 175.900 -0.328 0.000 0.973 108 Y CA -1.233 56.671 58.100 -0.328 0.000 1.064 108 Y CB 1.390 39.783 38.460 -0.110 0.000 1.207 108 Y HN 0.642 nan 8.280 nan 0.000 0.452 109 H N -0.377 118.383 119.070 -0.517 0.000 3.046 109 H HA 0.559 5.112 4.556 -0.005 0.000 0.361 109 H C -1.119 174.074 175.328 -0.225 0.000 1.235 109 H CA -1.166 54.627 56.048 -0.424 0.000 1.146 109 H CB 1.321 30.531 29.762 -0.921 0.000 1.859 109 H HN 0.746 nan 8.280 nan 0.000 0.548 110 S N 0.554 116.292 115.700 0.063 0.000 2.549 110 S HA -0.012 4.456 4.470 -0.004 0.000 0.283 110 S C 0.121 174.817 174.600 0.159 0.000 1.320 110 S CA -0.317 57.925 58.200 0.069 0.000 1.058 110 S CB 0.119 63.407 63.200 0.147 0.000 0.882 110 S HN 0.869 nan 8.310 nan 0.000 0.498 111 H N 3.956 123.011 119.070 -0.024 0.000 2.672 111 H HA 0.316 4.869 4.556 -0.005 0.000 0.277 111 H C -0.007 175.319 175.328 -0.003 0.000 1.074 111 H CA -0.167 55.885 56.048 0.008 0.000 1.173 111 H CB 0.262 29.977 29.762 -0.079 0.000 1.558 111 H HN 0.511 nan 8.280 nan 0.000 0.539 112 L N 1.608 122.878 121.223 0.079 0.000 2.342 112 L HA 0.059 4.396 4.340 -0.004 0.000 0.285 112 L C 0.795 177.690 176.870 0.043 0.000 1.095 112 L CA 0.487 55.352 54.840 0.042 0.000 0.843 112 L CB 0.173 42.234 42.059 0.005 0.000 1.201 112 L HN 0.299 nan 8.230 nan 0.000 0.445 113 S N 2.831 118.559 115.700 0.045 0.000 3.938 113 S HA -0.321 4.146 4.470 -0.004 0.000 0.624 113 S C 0.963 175.507 174.600 -0.094 0.000 2.186 113 S CA 1.811 60.011 58.200 -0.001 0.000 4.144 113 S CB -1.064 62.156 63.200 0.034 0.000 0.230 113 S HN 0.914 nan 8.310 nan 0.000 0.755 114 T N -0.030 114.452 114.554 -0.120 0.000 3.186 114 T HA 0.387 4.735 4.350 -0.004 0.000 0.257 114 T C 1.290 175.870 174.700 -0.200 0.000 1.029 114 T CA 0.850 62.795 62.100 -0.259 0.000 0.916 114 T CB 0.330 69.026 68.868 -0.287 0.000 1.041 114 T HN 0.583 nan 8.240 nan 0.000 0.562 115 Q N 0.720 120.487 119.800 -0.056 0.000 2.197 115 Q HA -0.200 4.137 4.340 -0.004 0.000 0.207 115 Q C 1.772 177.821 176.000 0.081 0.000 0.984 115 Q CA 1.779 57.596 55.803 0.024 0.000 0.869 115 Q CB -0.295 28.490 28.738 0.078 0.000 0.906 115 Q HN 0.959 nan 8.270 nan 0.000 0.426 116 Y N -2.283 118.041 120.300 0.041 0.000 2.509 116 Y HA -0.045 4.503 4.550 -0.004 0.000 0.293 116 Y C 1.795 177.789 175.900 0.157 0.000 1.133 116 Y CA 0.404 58.581 58.100 0.129 0.000 1.283 116 Y CB -0.825 37.741 38.460 0.177 0.000 1.001 116 Y HN 0.084 nan 8.280 nan 0.000 0.555 117 c N 0.871 119.291 118.600 -0.301 0.000 2.446 117 c HA -0.091 4.476 4.570 -0.004 0.000 0.279 117 c C 1.894 175.984 174.090 0.001 0.000 1.366 117 c CA 0.914 57.126 56.329 -0.195 0.000 1.763 117 c CB -0.806 41.438 42.510 -0.443 0.000 1.929 117 c HN 0.546 nan 8.230 nan 0.000 0.509 118 D N -0.156 120.238 120.400 -0.010 0.000 2.378 118 D HA 0.151 4.789 4.640 -0.004 0.000 0.227 118 D C 1.761 178.155 176.300 0.156 0.000 1.012 118 D CA 1.341 55.344 54.000 0.004 0.000 0.905 118 D CB 0.001 40.805 40.800 0.008 0.000 0.895 118 D HN 0.677 nan 8.370 nan 0.000 0.532 119 G N 0.173 109.165 108.800 0.319 0.000 2.797 119 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.195 119 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.195 119 G C 0.278 175.536 174.900 0.597 0.000 1.026 119 G CA -0.312 45.088 45.100 0.500 0.000 0.759 119 G HN 0.231 nan 8.290 nan 0.000 0.475 120 L N 3.576 125.045 121.223 0.411 0.000 2.597 120 L HA 0.513 4.851 4.340 -0.004 0.000 0.261 120 L C 0.791 177.860 176.870 0.333 0.000 1.389 120 L CA 0.149 55.198 54.840 0.350 0.000 1.203 120 L CB -1.504 40.715 42.059 0.267 0.000 1.401 120 L HN 0.472 nan 8.230 nan 0.000 0.443 121 R N 1.372 122.051 120.500 0.299 0.000 2.651 121 R HA 0.911 5.249 4.340 -0.004 0.000 0.278 121 R C -0.477 175.710 176.300 -0.188 0.000 1.010 121 R CA -0.860 55.312 56.100 0.120 0.000 0.896 121 R CB 1.420 31.957 30.300 0.395 0.000 1.211 121 R HN 0.279 nan 8.270 nan 0.000 0.456 122 G N 1.653 110.064 108.800 -0.648 0.000 2.698 122 G HA2 0.603 4.560 3.960 -0.004 0.000 0.293 122 G HA3 0.603 4.560 3.960 -0.004 0.000 0.293 122 G C -3.101 171.477 174.900 -0.536 0.000 1.437 122 G CA -1.544 43.141 45.100 -0.692 0.000 0.852 122 G HN 0.379 nan 8.290 nan 0.000 0.499 123 P HA 0.483 nan 4.420 nan 0.000 0.276 123 P C -0.937 176.549 177.300 0.310 0.000 1.244 123 P CA -0.496 62.665 63.100 0.102 0.000 0.801 123 P CB 2.216 33.934 31.700 0.031 0.000 1.006 124 L N 1.989 123.400 121.223 0.315 0.000 2.482 124 L HA 0.408 4.745 4.340 -0.004 0.000 0.269 124 L C -1.344 175.655 176.870 0.214 0.000 0.967 124 L CA -0.657 54.372 54.840 0.316 0.000 0.851 124 L CB 1.771 44.054 42.059 0.374 0.000 1.242 124 L HN 0.033 nan 8.230 nan 0.000 0.404 125 V N 5.236 125.208 119.914 0.097 0.000 2.495 125 V HA 0.500 4.617 4.120 -0.004 0.000 0.298 125 V C -0.279 175.767 176.094 -0.081 0.000 1.031 125 V CA -0.701 61.547 62.300 -0.087 0.000 0.871 125 V CB 1.961 33.550 31.823 -0.390 0.000 0.988 125 V HN 0.427 nan 8.190 nan 0.000 0.432 126 V N 5.277 125.210 119.914 0.031 0.000 2.394 126 V HA 0.464 4.581 4.120 -0.004 0.000 0.282 126 V C -0.810 175.259 176.094 -0.042 0.000 1.031 126 V CA -0.578 61.805 62.300 0.138 0.000 0.881 126 V CB 1.324 33.370 31.823 0.372 0.000 0.982 126 V HN 0.728 nan 8.190 nan 0.000 0.451 127 Y N 1.835 122.233 120.300 0.163 0.000 2.387 127 Y HA 0.475 5.024 4.550 -0.002 0.000 0.330 127 Y C 0.245 176.209 175.900 0.106 0.000 1.133 127 Y CA -0.924 57.246 58.100 0.116 0.000 1.152 127 Y CB 1.220 39.734 38.460 0.089 0.000 1.215 127 Y HN 0.537 nan 8.280 nan 0.000 0.466 128 D N 3.245 123.809 120.400 0.273 0.000 2.412 128 D HA 0.305 4.942 4.640 -0.004 0.000 0.224 128 D C -2.058 174.323 176.300 0.134 0.000 1.093 128 D CA -2.528 51.577 54.000 0.174 0.000 0.850 128 D CB 1.491 42.380 40.800 0.148 0.000 1.046 128 D HN 0.207 nan 8.370 nan 0.000 0.507 129 P HA -0.014 nan 4.420 nan 0.000 0.226 129 P C -0.353 176.962 177.300 0.026 0.000 1.146 129 P CA 0.670 63.797 63.100 0.046 0.000 0.773 129 P CB 0.412 32.128 31.700 0.028 0.000 0.772 130 S N -0.413 115.307 115.700 0.032 0.000 2.204 130 S HA 0.105 4.572 4.470 -0.004 0.000 0.178 130 S C -0.507 174.102 174.600 0.016 0.000 1.493 130 S CA -0.596 57.610 58.200 0.009 0.000 1.266 130 S CB -0.232 62.966 63.200 -0.002 0.000 1.232 130 S HN 0.043 nan 8.310 nan 0.000 0.406 131 D N 2.802 123.227 120.400 0.040 0.000 2.338 131 D HA 0.164 4.801 4.640 -0.004 0.000 0.255 131 D C -1.803 174.498 176.300 0.002 0.000 1.237 131 D CA -1.724 52.319 54.000 0.071 0.000 0.883 131 D CB 1.361 42.265 40.800 0.173 0.000 1.087 131 D HN 0.082 nan 8.370 nan 0.000 0.485 132 P HA -0.124 nan 4.420 nan 0.000 0.231 132 P C -0.176 176.915 177.300 -0.349 0.000 1.154 132 P CA 0.991 63.938 63.100 -0.255 0.000 0.762 132 P CB -0.019 31.445 31.700 -0.392 0.000 0.790 133 Y N -3.003 117.326 120.300 0.049 0.000 2.641 133 Y HA 0.453 5.000 4.550 -0.005 0.000 0.248 133 Y C 1.963 177.813 175.900 -0.084 0.000 1.170 133 Y CA -0.619 57.515 58.100 0.057 0.000 1.201 133 Y CB -0.648 37.912 38.460 0.166 0.000 1.232 133 Y HN -0.130 nan 8.280 nan 0.000 0.537 134 A N 0.014 122.782 122.820 -0.088 0.000 2.070 134 A HA -0.133 4.184 4.320 -0.004 0.000 0.220 134 A C 1.925 179.247 177.584 -0.437 0.000 1.159 134 A CA 1.702 53.473 52.037 -0.444 0.000 0.656 134 A CB -0.612 18.242 19.000 -0.243 0.000 0.800 134 A HN 0.302 nan 8.150 nan 0.000 0.453 135 S N -1.741 113.839 115.700 -0.200 0.000 2.667 135 S HA 0.359 4.826 4.470 -0.004 0.000 0.251 135 S C 0.827 175.386 174.600 -0.069 0.000 1.075 135 S CA -0.088 58.033 58.200 -0.132 0.000 1.130 135 S CB -0.015 63.145 63.200 -0.068 0.000 0.795 135 S HN 0.298 nan 8.310 nan 0.000 0.462 136 M N 0.074 119.613 119.600 -0.102 0.000 2.379 136 M HA 0.355 4.833 4.480 -0.004 0.000 0.268 136 M C -0.239 176.099 176.300 0.063 0.000 1.185 136 M CA 0.263 55.589 55.300 0.044 0.000 1.121 136 M CB -0.254 32.457 32.600 0.185 0.000 1.608 136 M HN 0.636 nan 8.290 nan 0.000 0.569 137 Y N -2.319 117.966 120.300 -0.025 0.000 2.609 137 Y HA 0.666 5.214 4.550 -0.005 0.000 0.342 137 Y C -0.002 175.820 175.900 -0.131 0.000 1.058 137 Y CA -1.226 56.820 58.100 -0.090 0.000 1.055 137 Y CB 0.473 38.867 38.460 -0.111 0.000 1.292 137 Y HN -0.157 nan 8.280 nan 0.000 0.476 138 D N 0.579 120.986 120.400 0.012 0.000 2.431 138 D HA 0.170 4.808 4.640 -0.004 0.000 0.227 138 D C -0.411 175.834 176.300 -0.090 0.000 1.030 138 D CA 0.755 54.690 54.000 -0.108 0.000 0.897 138 D CB 1.049 41.728 40.800 -0.201 0.000 1.058 138 D HN 0.293 nan 8.370 nan 0.000 0.500 139 V N 1.238 121.044 119.914 -0.179 0.000 2.540 139 V HA 0.447 4.564 4.120 -0.004 0.000 0.302 139 V C -1.117 174.880 176.094 -0.162 0.000 1.035 139 V CA -0.719 61.456 62.300 -0.207 0.000 0.873 139 V CB 2.398 33.978 31.823 -0.405 0.000 0.992 139 V HN -0.078 nan 8.190 nan 0.000 0.428 140 D N 3.159 123.512 120.400 -0.078 0.000 2.470 140 D HA 0.517 5.154 4.640 -0.004 0.000 0.233 140 D C -1.066 175.227 176.300 -0.012 0.000 1.372 140 D CA -0.203 53.731 54.000 -0.111 0.000 0.994 140 D CB 1.638 42.375 40.800 -0.105 0.000 1.377 140 D HN 0.741 nan 8.370 nan 0.000 0.586 141 D N 0.942 121.359 120.400 0.028 0.000 3.650 141 D HA 0.195 4.832 4.640 -0.004 0.000 0.341 141 D C 0.346 176.717 176.300 0.118 0.000 1.479 141 D CA -0.363 53.679 54.000 0.070 0.000 0.963 141 D CB -0.005 40.800 40.800 0.007 0.000 1.449 141 D HN -0.050 nan 8.370 nan 0.000 0.601 142 D N -0.649 119.812 120.400 0.102 0.000 2.144 142 D HA -0.035 4.602 4.640 -0.004 0.000 0.199 142 D C 1.499 177.846 176.300 0.078 0.000 0.984 142 D CA 2.411 56.470 54.000 0.099 0.000 0.834 142 D CB -0.478 40.372 40.800 0.084 0.000 0.955 142 D HN 0.566 nan 8.370 nan 0.000 0.465 143 T N -2.486 112.112 114.554 0.073 0.000 3.235 143 T HA 0.080 4.427 4.350 -0.004 0.000 0.251 143 T C 1.222 175.996 174.700 0.123 0.000 1.060 143 T CA 0.538 62.686 62.100 0.080 0.000 0.949 143 T CB -0.216 68.695 68.868 0.072 0.000 1.020 143 T HN 0.117 nan 8.240 nan 0.000 0.564 144 T N -1.767 112.851 114.554 0.107 0.000 3.040 144 T HA 0.346 4.693 4.350 -0.004 0.000 0.266 144 T C 0.321 175.117 174.700 0.160 0.000 1.005 144 T CA -0.317 61.869 62.100 0.143 0.000 0.906 144 T CB -0.050 68.757 68.868 -0.102 0.000 1.082 144 T HN 0.194 nan 8.240 nan 0.000 0.531 145 V N 3.260 123.222 119.914 0.080 0.000 2.389 145 V HA 0.387 4.504 4.120 -0.004 0.000 0.264 145 V C 0.045 176.138 176.094 -0.002 0.000 1.049 145 V CA -0.674 61.638 62.300 0.020 0.000 0.932 145 V CB 0.149 31.974 31.823 0.004 0.000 1.011 145 V HN 0.477 nan 8.190 nan 0.000 0.475 146 I N 5.228 125.773 120.570 -0.041 0.000 2.291 146 I HA 0.274 4.441 4.170 -0.004 0.000 0.290 146 I C 0.651 176.678 176.117 -0.149 0.000 1.050 146 I CA -0.134 61.110 61.300 -0.092 0.000 1.245 146 I CB 1.285 39.211 38.000 -0.124 0.000 1.405 146 I HN 0.647 nan 8.210 nan 0.000 0.478 147 T N 5.619 120.090 114.554 -0.138 0.000 2.738 147 T HA 0.543 4.891 4.350 -0.004 0.000 0.298 147 T C -0.309 174.297 174.700 -0.156 0.000 0.962 147 T CA -0.721 61.273 62.100 -0.177 0.000 0.972 147 T CB 0.463 69.217 68.868 -0.191 0.000 0.928 147 T HN 0.322 nan 8.240 nan 0.000 0.474 148 L N 3.483 124.614 121.223 -0.154 0.000 2.265 148 L HA 0.555 4.892 4.340 -0.004 0.000 0.288 148 L C 0.157 177.052 176.870 0.043 0.000 1.058 148 L CA -0.549 54.258 54.840 -0.054 0.000 0.809 148 L CB 0.970 43.065 42.059 0.061 0.000 1.179 148 L HN 0.722 nan 8.230 nan 0.000 0.429 149 S N 1.147 116.906 115.700 0.097 0.000 2.548 149 S HA 0.343 4.810 4.470 -0.004 0.000 0.276 149 S C -1.185 173.582 174.600 0.278 0.000 1.129 149 S CA -1.040 57.274 58.200 0.191 0.000 0.931 149 S CB 2.097 65.412 63.200 0.192 0.000 1.068 149 S HN 0.670 nan 8.310 nan 0.000 0.480 150 D N 1.027 121.612 120.400 0.308 0.000 2.210 150 D HA 0.272 4.910 4.640 -0.004 0.000 0.249 150 D C -0.685 175.733 176.300 0.197 0.000 1.062 150 D CA -0.529 53.583 54.000 0.187 0.000 0.891 150 D CB 1.017 41.880 40.800 0.105 0.000 1.186 150 D HN 0.570 nan 8.370 nan 0.000 0.432 151 W N 2.082 123.179 121.300 -0.337 0.000 2.844 151 W HA 0.462 5.120 4.660 -0.004 0.000 0.340 151 W C -1.958 174.162 176.519 -0.665 0.000 1.093 151 W CA -0.953 56.211 57.345 -0.302 0.000 1.212 151 W CB 1.873 31.255 29.460 -0.130 0.000 1.422 151 W HN 0.327 nan 8.180 nan 0.000 0.515 152 Y N 2.458 122.139 120.300 -1.031 0.000 2.391 152 Y HA 0.203 4.750 4.550 -0.004 0.000 0.341 152 Y C 1.066 176.401 175.900 -0.942 0.000 0.965 152 Y CA -0.559 57.057 58.100 -0.806 0.000 1.067 152 Y CB 2.012 40.157 38.460 -0.524 0.000 1.199 152 Y HN 0.479 nan 8.280 nan 0.000 0.450 153 H N -0.034 118.699 119.070 -0.561 0.000 2.428 153 H HA -0.046 4.508 4.556 -0.005 0.000 0.296 153 H C 0.854 175.936 175.328 -0.409 0.000 1.062 153 H CA 0.933 56.578 56.048 -0.672 0.000 1.350 153 H CB 0.533 29.669 29.762 -1.044 0.000 1.403 153 H HN 0.450 nan 8.280 nan 0.000 0.533 154 T N 0.280 114.727 114.554 -0.178 0.000 2.909 154 T HA 0.528 4.876 4.350 -0.004 0.000 0.286 154 T C 0.138 174.736 174.700 -0.171 0.000 1.002 154 T CA -0.604 61.413 62.100 -0.138 0.000 1.074 154 T CB 0.862 69.658 68.868 -0.120 0.000 0.984 154 T HN 0.325 nan 8.240 nan 0.000 0.495 155 A N 2.721 125.460 122.820 -0.135 0.000 2.346 155 A HA 0.653 4.971 4.320 -0.004 0.000 0.252 155 A C 1.749 179.244 177.584 -0.148 0.000 1.089 155 A CA 0.125 52.078 52.037 -0.140 0.000 0.797 155 A CB -0.370 18.581 19.000 -0.081 0.000 1.047 155 A HN 1.205 nan 8.150 nan 0.000 0.494 156 A N 0.254 122.996 122.820 -0.131 0.000 1.902 156 A HA -0.078 4.239 4.320 -0.004 0.000 0.217 156 A C 1.921 179.459 177.584 -0.077 0.000 1.181 156 A CA 1.715 53.694 52.037 -0.096 0.000 0.623 156 A CB -0.334 18.616 19.000 -0.085 0.000 0.818 156 A HN 0.661 nan 8.150 nan 0.000 0.443 157 K N -0.503 119.858 120.400 -0.066 0.000 2.296 157 K HA 0.186 4.504 4.320 -0.004 0.000 0.200 157 K C 1.699 178.256 176.600 -0.070 0.000 1.048 157 K CA 0.537 56.790 56.287 -0.056 0.000 0.966 157 K CB -0.250 32.232 32.500 -0.030 0.000 0.754 157 K HN 0.535 nan 8.250 nan 0.000 0.466 158 L N -0.280 120.896 121.223 -0.079 0.000 2.249 158 L HA 0.049 4.386 4.340 -0.004 0.000 0.207 158 L C 1.541 178.352 176.870 -0.098 0.000 1.090 158 L CA 0.313 55.108 54.840 -0.075 0.000 0.802 158 L CB -0.303 41.719 42.059 -0.062 0.000 0.947 158 L HN 0.081 nan 8.230 nan 0.000 0.453 159 G N -0.072 108.646 108.800 -0.137 0.000 2.510 159 G HA2 0.337 4.294 3.960 -0.004 0.000 0.280 159 G HA3 0.337 4.294 3.960 -0.004 0.000 0.280 159 G C -2.314 172.470 174.900 -0.193 0.000 1.386 159 G CA -0.614 44.386 45.100 -0.168 0.000 1.047 159 G HN -0.060 nan 8.290 nan 0.000 0.527 160 P HA 0.272 nan 4.420 nan 0.000 0.276 160 P C 0.729 177.831 177.300 -0.331 0.000 1.252 160 P CA 0.281 63.247 63.100 -0.222 0.000 0.802 160 P CB 1.410 33.002 31.700 -0.180 0.000 1.035 161 A N 1.191 123.794 122.820 -0.362 0.000 1.892 161 A HA -0.120 4.197 4.320 -0.004 0.000 0.218 161 A C 0.739 177.839 177.584 -0.807 0.000 1.188 161 A CA 1.405 53.079 52.037 -0.604 0.000 0.631 161 A CB -1.146 17.376 19.000 -0.797 0.000 0.822 161 A HN 0.516 nan 8.150 nan 0.000 0.447 162 F N -0.193 119.659 119.950 -0.164 0.000 2.443 162 F HA 0.412 4.936 4.527 -0.005 0.000 0.369 162 F C -2.693 172.899 175.800 -0.347 0.000 1.090 162 F CA -3.138 54.730 58.000 -0.220 0.000 1.129 162 F CB 0.696 39.712 39.000 0.025 0.000 1.367 162 F HN -0.094 nan 8.300 nan 0.000 0.465 163 P HA 0.091 nan 4.420 nan 0.000 0.263 163 P C -1.901 175.306 177.300 -0.155 0.000 1.195 163 P CA -0.774 62.074 63.100 -0.420 0.000 0.762 163 P CB 0.600 31.844 31.700 -0.761 0.000 0.799 164 P HA -0.084 nan 4.420 nan 0.000 0.216 164 P C -0.328 176.983 177.300 0.018 0.000 1.153 164 P CA 1.302 64.397 63.100 -0.007 0.000 0.844 164 P CB 0.120 31.813 31.700 -0.011 0.000 0.787 165 N N -2.133 116.587 118.700 0.034 0.000 2.732 165 N HA 0.548 5.285 4.740 -0.004 0.000 0.259 165 N C -1.477 174.072 175.510 0.064 0.000 1.402 165 N CA -1.128 51.947 53.050 0.042 0.000 0.829 165 N CB 0.543 39.027 38.487 -0.005 0.000 1.495 165 N HN -0.083 nan 8.380 nan 0.000 0.511 166 A N -0.269 122.494 122.820 -0.095 0.000 2.340 166 A HA 0.350 4.667 4.320 -0.004 0.000 0.268 166 A C -0.131 177.235 177.584 -0.363 0.000 1.100 166 A CA -0.414 51.322 52.037 -0.502 0.000 0.803 166 A CB -0.057 18.654 19.000 -0.482 0.000 1.043 166 A HN 0.811 nan 8.150 nan 0.000 0.488 167 D N 0.184 120.270 120.400 -0.524 0.000 2.149 167 D HA 0.040 4.677 4.640 -0.004 0.000 0.201 167 D C 0.788 176.929 176.300 -0.264 0.000 0.972 167 D CA 2.054 55.770 54.000 -0.474 0.000 0.835 167 D CB 0.062 40.241 40.800 -1.034 0.000 0.966 167 D HN 0.609 nan 8.370 nan 0.000 0.476 168 S N -1.223 114.352 115.700 -0.208 0.000 2.556 168 S HA 0.570 5.037 4.470 -0.004 0.000 0.271 168 S C -1.061 173.534 174.600 -0.007 0.000 1.135 168 S CA -1.066 57.129 58.200 -0.007 0.000 0.858 168 S CB 1.998 65.290 63.200 0.153 0.000 1.114 168 S HN -0.167 nan 8.310 nan 0.000 0.468 169 V N 2.542 122.448 119.914 -0.013 0.000 2.347 169 V HA 0.428 4.546 4.120 -0.004 0.000 0.280 169 V C -0.595 175.471 176.094 -0.048 0.000 1.021 169 V CA -0.559 61.710 62.300 -0.051 0.000 0.847 169 V CB 0.882 32.595 31.823 -0.184 0.000 0.990 169 V HN 0.801 nan 8.190 nan 0.000 0.444 170 L N 6.604 127.828 121.223 0.001 0.000 2.272 170 L HA 0.575 4.912 4.340 -0.004 0.000 0.289 170 L C -0.381 176.455 176.870 -0.057 0.000 1.032 170 L CA -0.276 54.560 54.840 -0.007 0.000 0.810 170 L CB 1.403 43.488 42.059 0.042 0.000 1.205 170 L HN 0.473 nan 8.230 nan 0.000 0.422 171 I N 3.839 124.369 120.570 -0.067 0.000 2.353 171 I HA 0.227 4.394 4.170 -0.004 0.000 0.293 171 I C 0.497 176.578 176.117 -0.061 0.000 0.992 171 I CA -0.463 60.796 61.300 -0.068 0.000 1.268 171 I CB 1.172 39.145 38.000 -0.044 0.000 1.387 171 I HN 0.630 nan 8.210 nan 0.000 0.478 172 N N 4.437 123.090 118.700 -0.080 0.000 2.644 172 N HA -0.234 4.503 4.740 -0.004 0.000 0.248 172 N C 0.775 176.227 175.510 -0.096 0.000 1.150 172 N CA 1.570 54.569 53.050 -0.085 0.000 0.727 172 N CB -0.877 37.578 38.487 -0.053 0.000 1.091 172 N HN 1.126 nan 8.380 nan 0.000 0.556 173 G N -2.287 106.450 108.800 -0.105 0.000 2.131 173 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.223 173 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.223 173 G C -0.360 174.514 174.900 -0.043 0.000 0.990 173 G CA 0.163 45.206 45.100 -0.096 0.000 0.671 173 G HN 0.390 nan 8.290 nan 0.000 0.521 174 L N -0.349 120.854 121.223 -0.033 0.000 2.476 174 L HA 0.781 5.119 4.340 -0.004 0.000 0.269 174 L C 0.515 177.384 176.870 -0.001 0.000 0.965 174 L CA -0.067 54.766 54.840 -0.011 0.000 0.845 174 L CB 2.072 44.130 42.059 -0.002 0.000 1.259 174 L HN 0.473 nan 8.230 nan 0.000 0.403 175 G N 2.263 111.075 108.800 0.020 0.000 2.706 175 G HA2 0.776 4.734 3.960 -0.004 0.000 0.307 175 G HA3 0.776 4.734 3.960 -0.004 0.000 0.307 175 G C -1.703 173.237 174.900 0.067 0.000 1.307 175 G CA -0.667 44.448 45.100 0.025 0.000 0.790 175 G HN 0.404 nan 8.290 nan 0.000 0.503 176 R N -1.360 119.178 120.500 0.063 0.000 2.799 176 R HA 0.650 4.987 4.340 -0.004 0.000 0.270 176 R C -0.823 175.572 176.300 0.159 0.000 1.010 176 R CA -0.765 55.381 56.100 0.078 0.000 0.916 176 R CB 1.881 32.144 30.300 -0.062 0.000 1.228 176 R HN 0.567 nan 8.270 nan 0.000 0.469 177 F N -0.878 119.116 119.950 0.074 0.000 2.656 177 F HA 0.803 5.327 4.527 -0.005 0.000 0.394 177 F C 1.157 176.979 175.800 0.035 0.000 1.168 177 F CA -0.693 57.339 58.000 0.054 0.000 1.135 177 F CB -0.264 38.814 39.000 0.130 0.000 1.480 177 F HN 0.532 nan 8.300 nan 0.000 0.500 178 A N 0.530 123.521 122.820 0.284 0.000 1.824 178 A HA 0.167 4.485 4.320 -0.004 0.000 0.215 178 A C 1.835 179.424 177.584 0.009 0.000 1.209 178 A CA 1.357 53.462 52.037 0.114 0.000 0.614 178 A CB -1.756 17.336 19.000 0.153 0.000 0.852 178 A HN 1.101 nan 8.150 nan 0.000 0.447 179 G N 0.420 109.284 108.800 0.106 0.000 3.401 179 G HA2 0.442 4.400 3.960 -0.004 0.000 0.251 179 G HA3 0.442 4.400 3.960 -0.004 0.000 0.251 179 G C 0.482 175.236 174.900 -0.243 0.000 0.960 179 G CA 0.265 45.374 45.100 0.014 0.000 1.900 179 G HN 0.714 nan 8.290 nan 0.000 0.645 180 G N 0.042 108.521 108.800 -0.534 0.000 2.503 180 G HA2 0.152 4.109 3.960 -0.004 0.000 0.257 180 G HA3 0.152 4.109 3.960 -0.004 0.000 0.257 180 G C 0.862 175.474 174.900 -0.479 0.000 1.214 180 G CA -0.559 43.950 45.100 -0.986 0.000 0.839 180 G HN 0.322 nan 8.290 nan 0.000 0.559 181 N N 0.792 119.254 118.700 -0.397 0.000 2.585 181 N HA 0.018 4.755 4.740 -0.004 0.000 0.188 181 N C 1.796 177.247 175.510 -0.098 0.000 1.102 181 N CA 1.388 54.360 53.050 -0.129 0.000 0.920 181 N CB -0.169 38.312 38.487 -0.010 0.000 0.963 181 N HN 1.021 nan 8.380 nan 0.000 0.447 182 A N -0.712 122.026 122.820 -0.136 0.000 2.783 182 A HA -0.217 4.101 4.320 -0.004 0.000 0.292 182 A C 0.845 178.412 177.584 -0.030 0.000 1.495 182 A CA 0.910 52.902 52.037 -0.075 0.000 0.787 182 A CB -2.509 16.457 19.000 -0.057 0.000 1.017 182 A HN 0.628 nan 8.150 nan 0.000 0.516 183 S N -0.519 115.170 115.700 -0.018 0.000 2.646 183 S HA 0.539 5.007 4.470 -0.004 0.000 0.273 183 S C -0.031 174.581 174.600 0.021 0.000 1.168 183 S CA -0.383 57.823 58.200 0.011 0.000 1.013 183 S CB 0.392 63.610 63.200 0.031 0.000 1.098 183 S HN 0.418 nan 8.310 nan 0.000 0.544 184 D N 0.734 121.150 120.400 0.027 0.000 2.571 184 D HA 0.153 4.790 4.640 -0.004 0.000 0.231 184 D C -0.081 176.238 176.300 0.032 0.000 1.133 184 D CA 0.725 54.741 54.000 0.027 0.000 0.862 184 D CB 0.135 40.949 40.800 0.023 0.000 1.179 184 D HN 0.361 nan 8.370 nan 0.000 0.474 185 L N 0.808 122.053 121.223 0.038 0.000 2.335 185 L HA 0.547 4.884 4.340 -0.004 0.000 0.268 185 L C 0.555 177.443 176.870 0.029 0.000 1.016 185 L CA -1.131 53.739 54.840 0.050 0.000 0.805 185 L CB 1.076 43.198 42.059 0.104 0.000 1.311 185 L HN 0.324 nan 8.230 nan 0.000 0.456 186 A N 0.676 123.511 122.820 0.026 0.000 2.363 186 A HA 0.556 4.874 4.320 -0.004 0.000 0.270 186 A C -0.479 177.103 177.584 -0.004 0.000 1.121 186 A CA -0.409 51.631 52.037 0.004 0.000 0.800 186 A CB 0.463 19.459 19.000 -0.007 0.000 1.052 186 A HN 0.458 nan 8.150 nan 0.000 0.493 187 V N 1.767 121.671 119.914 -0.017 0.000 2.304 187 V HA 0.546 4.663 4.120 -0.004 0.000 0.278 187 V C -0.378 175.690 176.094 -0.042 0.000 1.018 187 V CA -0.352 61.928 62.300 -0.033 0.000 0.814 187 V CB 0.206 32.014 31.823 -0.026 0.000 1.021 187 V HN 0.628 nan 8.190 nan 0.000 0.440 188 I N 5.183 125.711 120.570 -0.071 0.000 2.312 188 I HA 0.441 4.608 4.170 -0.004 0.000 0.290 188 I C 0.777 176.824 176.117 -0.117 0.000 1.008 188 I CA -0.045 61.206 61.300 -0.082 0.000 1.226 188 I CB 2.000 39.920 38.000 -0.132 0.000 1.371 188 I HN 0.819 nan 8.210 nan 0.000 0.468 189 T N 4.356 118.853 114.554 -0.094 0.000 2.875 189 T HA 0.731 5.079 4.350 -0.004 0.000 0.284 189 T C -0.241 174.315 174.700 -0.241 0.000 0.995 189 T CA -0.703 61.326 62.100 -0.118 0.000 1.060 189 T CB 1.644 70.488 68.868 -0.040 0.000 0.967 189 T HN 0.350 nan 8.240 nan 0.000 0.476 190 V N -0.538 119.195 119.914 -0.302 0.000 2.925 190 V HA 0.666 4.783 4.120 -0.004 0.000 0.311 190 V C -0.762 175.301 176.094 -0.053 0.000 1.104 190 V CA -1.298 60.717 62.300 -0.474 0.000 0.954 190 V CB 1.783 33.090 31.823 -0.859 0.000 1.022 190 V HN 0.976 nan 8.190 nan 0.000 0.427 191 E N 1.693 122.040 120.200 0.245 0.000 2.231 191 E HA 0.349 4.696 4.350 -0.004 0.000 0.277 191 E C -0.647 176.156 176.600 0.338 0.000 0.999 191 E CA -0.807 55.757 56.400 0.274 0.000 0.827 191 E CB 1.288 31.122 29.700 0.224 0.000 1.101 191 E HN 0.633 nan 8.360 nan 0.000 0.393 192 Q N 2.282 122.277 119.800 0.325 0.000 2.333 192 Q HA -0.097 4.240 4.340 -0.004 0.000 0.299 192 Q C 0.180 176.306 176.000 0.211 0.000 1.067 192 Q CA 0.732 56.717 55.803 0.303 0.000 0.943 192 Q CB 0.456 29.301 28.738 0.179 0.000 1.233 192 Q HN 0.593 nan 8.270 nan 0.000 0.401 193 N N 0.348 119.169 118.700 0.201 0.000 2.927 193 N HA -0.199 4.538 4.740 -0.004 0.000 0.215 193 N C -0.750 174.826 175.510 0.110 0.000 0.868 193 N CA 1.492 54.620 53.050 0.130 0.000 1.075 193 N CB -0.754 37.782 38.487 0.082 0.000 0.989 193 N HN 0.504 nan 8.380 nan 0.000 0.609 194 K N 2.038 122.511 120.400 0.122 0.000 2.379 194 K HA 0.202 4.519 4.320 -0.004 0.000 0.284 194 K C 0.227 176.819 176.600 -0.014 0.000 1.044 194 K CA -0.175 56.113 56.287 0.002 0.000 0.974 194 K CB 0.525 32.975 32.500 -0.083 0.000 0.962 194 K HN 0.117 nan 8.250 nan 0.000 0.474 195 R N 2.036 122.482 120.500 -0.089 0.000 2.543 195 R HA 0.159 4.496 4.340 -0.004 0.000 0.277 195 R C -0.766 175.359 176.300 -0.291 0.000 1.074 195 R CA 0.132 56.208 56.100 -0.040 0.000 1.076 195 R CB 0.083 30.398 30.300 0.024 0.000 0.993 195 R HN 0.434 nan 8.270 nan 0.000 0.459 196 Y N 0.463 120.676 120.300 -0.144 0.000 2.350 196 Y HA 0.364 4.912 4.550 -0.004 0.000 0.338 196 Y C 0.286 175.831 175.900 -0.591 0.000 0.961 196 Y CA -0.843 56.980 58.100 -0.461 0.000 1.100 196 Y CB 1.773 39.771 38.460 -0.770 0.000 1.179 196 Y HN 0.373 nan 8.280 nan 0.000 0.454 197 R N 4.036 124.171 120.500 -0.609 0.000 2.196 197 R HA 0.397 4.734 4.340 -0.004 0.000 0.340 197 R C -1.794 174.055 176.300 -0.752 0.000 1.043 197 R CA -0.323 55.319 56.100 -0.762 0.000 0.883 197 R CB 0.105 29.606 30.300 -1.332 0.000 1.078 197 R HN 0.483 nan 8.270 nan 0.000 0.462 198 F N 3.396 122.967 119.950 -0.630 0.000 2.415 198 F HA 0.417 4.942 4.527 -0.003 0.000 0.348 198 F C 0.550 175.978 175.800 -0.621 0.000 1.119 198 F CA -0.687 56.890 58.000 -0.705 0.000 1.069 198 F CB 1.556 39.862 39.000 -1.157 0.000 1.124 198 F HN 0.298 nan 8.300 nan 0.000 0.472 199 R N 3.628 124.033 120.500 -0.159 0.000 2.215 199 R HA 0.418 4.755 4.340 -0.004 0.000 0.337 199 R C -1.195 175.031 176.300 -0.124 0.000 1.010 199 R CA -0.856 55.151 56.100 -0.155 0.000 0.871 199 R CB 0.983 31.197 30.300 -0.145 0.000 1.134 199 R HN 0.475 nan 8.270 nan 0.000 0.477 200 L N 4.628 125.787 121.223 -0.108 0.000 2.265 200 L HA 0.355 4.692 4.340 -0.004 0.000 0.288 200 L C -0.936 175.812 176.870 -0.203 0.000 1.058 200 L CA -0.335 54.409 54.840 -0.160 0.000 0.809 200 L CB 1.488 43.457 42.059 -0.150 0.000 1.179 200 L HN 0.255 nan 8.230 nan 0.000 0.429 201 V N 3.472 123.229 119.914 -0.263 0.000 2.540 201 V HA 0.452 4.569 4.120 -0.004 0.000 0.302 201 V C 0.041 175.871 176.094 -0.440 0.000 1.035 201 V CA -0.649 61.431 62.300 -0.366 0.000 0.873 201 V CB 1.575 33.185 31.823 -0.354 0.000 0.992 201 V HN 0.771 nan 8.190 nan 0.000 0.428 202 S N 4.742 120.093 115.700 -0.582 0.000 2.464 202 S HA 0.421 4.888 4.470 -0.004 0.000 0.313 202 S C 0.074 174.064 174.600 -1.017 0.000 1.078 202 S CA -0.572 57.288 58.200 -0.566 0.000 1.096 202 S CB -0.185 62.755 63.200 -0.434 0.000 1.032 202 S HN 0.539 nan 8.310 nan 0.000 0.498 203 L N 4.109 124.820 121.223 -0.853 0.000 2.805 203 L HA 0.354 4.692 4.340 -0.004 0.000 0.237 203 L C 1.175 177.873 176.870 -0.287 0.000 1.252 203 L CA 0.126 54.370 54.840 -0.993 0.000 1.064 203 L CB -0.702 41.061 42.059 -0.493 0.000 1.361 203 L HN 0.529 nan 8.230 nan 0.000 0.474 204 S N -1.578 113.960 115.700 -0.270 0.000 2.593 204 S HA 0.107 4.575 4.470 -0.004 0.000 0.269 204 S C 1.218 175.881 174.600 0.104 0.000 1.334 204 S CA -0.491 57.673 58.200 -0.059 0.000 1.015 204 S CB 0.820 63.846 63.200 -0.290 0.000 0.912 204 S HN 0.453 nan 8.310 nan 0.000 0.541 205 c N 1.890 120.556 118.600 0.110 0.000 2.791 205 c HA 0.317 4.884 4.570 -0.004 0.000 0.288 205 c C 1.680 175.752 174.090 -0.030 0.000 1.271 205 c CA -0.140 56.172 56.329 -0.029 0.000 1.726 205 c CB -0.681 41.704 42.510 -0.209 0.000 2.145 205 c HN 0.988 nan 8.230 nan 0.000 0.572 206 D N -0.875 119.552 120.400 0.045 0.000 2.574 206 D HA 0.081 4.719 4.640 -0.004 0.000 0.166 206 D C -2.413 173.857 176.300 -0.050 0.000 1.445 206 D CA 0.342 54.365 54.000 0.039 0.000 1.453 206 D CB -0.524 40.411 40.800 0.226 0.000 1.814 206 D HN 0.149 nan 8.370 nan 0.000 0.327 207 P HA 0.217 nan 4.420 nan 0.000 0.277 207 P C -0.685 176.320 177.300 -0.491 0.000 1.240 207 P CA -0.236 62.750 63.100 -0.190 0.000 0.798 207 P CB 0.773 32.424 31.700 -0.081 0.000 0.979 208 N N 1.444 119.897 118.700 -0.411 0.000 2.443 208 N HA 0.282 5.020 4.740 -0.004 0.000 0.295 208 N C -1.161 174.084 175.510 -0.442 0.000 1.076 208 N CA -0.409 52.288 53.050 -0.589 0.000 0.919 208 N CB 0.845 38.953 38.487 -0.632 0.000 1.176 208 N HN 0.087 nan 8.380 nan 0.000 0.487 209 F N -0.032 119.773 119.950 -0.242 0.000 2.425 209 F HA 0.321 4.846 4.527 -0.005 0.000 0.331 209 F C 0.703 176.394 175.800 -0.182 0.000 1.085 209 F CA -0.965 56.937 58.000 -0.165 0.000 1.028 209 F CB 1.601 40.544 39.000 -0.096 0.000 1.177 209 F HN 0.323 nan 8.300 nan 0.000 0.487 210 T N 3.687 118.279 114.554 0.063 0.000 3.145 210 T HA 0.220 4.567 4.350 -0.004 0.000 0.348 210 T C -0.573 174.124 174.700 -0.004 0.000 1.299 210 T CA -0.225 61.863 62.100 -0.019 0.000 1.037 210 T CB -0.704 68.126 68.868 -0.064 0.000 1.122 210 T HN 0.315 nan 8.240 nan 0.000 0.600 211 F N 4.093 123.965 119.950 -0.130 0.000 2.438 211 F HA 0.471 4.995 4.527 -0.005 0.000 0.356 211 F C 0.535 176.209 175.800 -0.209 0.000 1.099 211 F CA -0.193 57.704 58.000 -0.172 0.000 1.185 211 F CB 0.423 39.321 39.000 -0.169 0.000 1.115 211 F HN 0.516 nan 8.300 nan 0.000 0.526 212 S N 5.854 121.088 115.700 -0.776 0.000 2.556 212 S HA 0.775 5.242 4.470 -0.004 0.000 0.271 212 S C -1.133 173.053 174.600 -0.691 0.000 1.135 212 S CA -0.941 56.923 58.200 -0.561 0.000 0.858 212 S CB 1.639 64.662 63.200 -0.294 0.000 1.114 212 S HN 0.550 nan 8.310 nan 0.000 0.468 213 I N 1.344 121.657 120.570 -0.429 0.000 2.509 213 I HA 0.374 4.542 4.170 -0.004 0.000 0.293 213 I C -1.022 175.070 176.117 -0.042 0.000 1.020 213 I CA -0.667 60.474 61.300 -0.265 0.000 1.088 213 I CB 1.863 39.694 38.000 -0.282 0.000 1.267 213 I HN 0.579 nan 8.210 nan 0.000 0.430 214 D N 4.528 124.986 120.400 0.096 0.000 2.383 214 D HA 0.267 4.905 4.640 -0.004 0.000 0.252 214 D C 1.018 177.512 176.300 0.324 0.000 1.166 214 D CA 0.944 55.076 54.000 0.220 0.000 0.879 214 D CB 1.071 42.064 40.800 0.321 0.000 1.164 214 D HN 0.860 nan 8.370 nan 0.000 0.462 215 G N 1.996 110.886 108.800 0.149 0.000 2.225 215 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.267 215 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.267 215 G C 0.074 174.769 174.900 -0.343 0.000 1.024 215 G CA 0.695 45.780 45.100 -0.024 0.000 0.784 215 G HN 0.680 nan 8.290 nan 0.000 0.507 216 H N -1.362 117.660 119.070 -0.080 0.000 2.931 216 H HA 0.735 5.289 4.556 -0.005 0.000 0.331 216 H C -0.127 175.167 175.328 -0.056 0.000 1.273 216 H CA -0.807 55.192 56.048 -0.082 0.000 1.171 216 H CB 1.264 30.958 29.762 -0.113 0.000 1.898 216 H HN 0.141 nan 8.280 nan 0.000 0.562 217 N N 0.115 118.894 118.700 0.133 0.000 2.321 217 N HA 0.467 5.205 4.740 -0.004 0.000 0.290 217 N C -1.374 174.180 175.510 0.074 0.000 1.212 217 N CA -0.655 52.428 53.050 0.056 0.000 0.767 217 N CB 2.151 40.667 38.487 0.049 0.000 1.494 217 N HN 0.409 nan 8.380 nan 0.000 0.479 218 M N 0.677 120.275 119.600 -0.003 0.000 2.321 218 M HA 0.368 4.846 4.480 -0.004 0.000 0.315 218 M C -0.777 175.574 176.300 0.086 0.000 1.052 218 M CA -0.589 54.726 55.300 0.024 0.000 0.936 218 M CB 2.023 34.376 32.600 -0.412 0.000 1.639 218 M HN 0.280 nan 8.290 nan 0.000 0.433 219 T N 3.521 118.192 114.554 0.195 0.000 2.947 219 T HA 0.525 4.872 4.350 -0.004 0.000 0.337 219 T C 0.043 174.820 174.700 0.127 0.000 1.139 219 T CA -0.461 61.712 62.100 0.123 0.000 0.992 219 T CB -0.108 68.819 68.868 0.098 0.000 1.043 219 T HN 0.479 nan 8.240 nan 0.000 0.498 220 I N 3.921 124.552 120.570 0.101 0.000 2.556 220 I HA 0.180 4.347 4.170 -0.004 0.000 0.284 220 I C 1.355 177.486 176.117 0.023 0.000 1.114 220 I CA -0.010 61.359 61.300 0.115 0.000 1.418 220 I CB 0.762 38.833 38.000 0.118 0.000 1.394 220 I HN 0.691 nan 8.210 nan 0.000 0.552 221 I N 1.754 122.303 120.570 -0.036 0.000 4.471 221 I HA 0.382 4.549 4.170 -0.004 0.000 0.326 221 I C 0.553 176.681 176.117 0.019 0.000 1.300 221 I CA -0.016 61.162 61.300 -0.204 0.000 1.237 221 I CB 0.376 37.967 38.000 -0.682 0.000 1.195 221 I HN 0.477 nan 8.210 nan 0.000 0.427 222 E N 2.137 122.360 120.200 0.039 0.000 2.224 222 E HA 0.508 4.856 4.350 -0.004 0.000 0.265 222 E C -1.665 174.881 176.600 -0.091 0.000 0.878 222 E CA -0.621 55.794 56.400 0.024 0.000 0.759 222 E CB 3.468 33.160 29.700 -0.013 0.000 1.164 222 E HN 0.040 nan 8.360 nan 0.000 0.414 223 V N 4.738 124.500 119.914 -0.254 0.000 2.407 223 V HA 0.262 4.379 4.120 -0.004 0.000 0.291 223 V C -1.137 174.708 176.094 -0.415 0.000 1.018 223 V CA -0.299 61.682 62.300 -0.531 0.000 0.842 223 V CB 1.314 32.772 31.823 -0.609 0.000 0.996 223 V HN 0.907 nan 8.190 nan 0.000 0.426 224 D N 5.028 125.164 120.400 -0.440 0.000 2.708 224 D HA -0.163 4.475 4.640 -0.004 0.000 0.236 224 D C 1.166 177.355 176.300 -0.185 0.000 1.146 224 D CA 1.921 55.758 54.000 -0.271 0.000 0.662 224 D CB -1.335 39.344 40.800 -0.203 0.000 1.059 224 D HN 1.644 nan 8.370 nan 0.000 0.428 225 G N -2.767 105.861 108.800 -0.287 0.000 2.420 225 G HA2 -0.308 3.649 3.960 -0.004 0.000 0.221 225 G HA3 -0.308 3.649 3.960 -0.004 0.000 0.221 225 G C 0.337 175.218 174.900 -0.032 0.000 1.117 225 G CA -0.051 44.871 45.100 -0.297 0.000 0.657 225 G HN 0.772 nan 8.290 nan 0.000 0.512 226 V N 2.740 122.685 119.914 0.052 0.000 2.555 226 V HA 0.391 4.508 4.120 -0.004 0.000 0.286 226 V C 0.381 176.653 176.094 0.296 0.000 1.044 226 V CA -0.951 61.464 62.300 0.191 0.000 1.026 226 V CB 1.232 33.211 31.823 0.260 0.000 0.981 226 V HN 0.391 nan 8.190 nan 0.000 0.480 227 N N 3.142 122.003 118.700 0.268 0.000 2.468 227 N HA 0.240 4.977 4.740 -0.004 0.000 0.265 227 N C -0.431 175.289 175.510 0.351 0.000 1.199 227 N CA 0.175 53.416 53.050 0.319 0.000 0.928 227 N CB 0.258 38.885 38.487 0.233 0.000 1.059 227 N HN 0.717 nan 8.380 nan 0.000 0.467 228 H N -0.145 119.052 119.070 0.212 0.000 2.797 228 H HA 0.263 4.816 4.556 -0.005 0.000 0.372 228 H C -0.169 175.298 175.328 0.232 0.000 1.168 228 H CA -0.616 55.539 56.048 0.179 0.000 1.163 228 H CB 1.018 30.853 29.762 0.122 0.000 1.778 228 H HN 0.274 nan 8.280 nan 0.000 0.551 229 E N 2.489 122.852 120.200 0.272 0.000 2.465 229 E HA 0.057 4.404 4.350 -0.004 0.000 0.260 229 E C -2.194 174.516 176.600 0.184 0.000 0.980 229 E CA -1.214 55.331 56.400 0.240 0.000 0.927 229 E CB 0.051 29.845 29.700 0.157 0.000 0.934 229 E HN 0.359 nan 8.360 nan 0.000 0.459 230 P HA -0.016 nan 4.420 nan 0.000 0.262 230 P C -0.600 176.739 177.300 0.064 0.000 1.182 230 P CA 0.087 63.208 63.100 0.034 0.000 0.761 230 P CB 0.340 32.061 31.700 0.035 0.000 0.795 231 L N 3.262 124.517 121.223 0.052 0.000 2.381 231 L HA 0.303 4.640 4.340 -0.004 0.000 0.274 231 L C -0.139 176.754 176.870 0.038 0.000 0.988 231 L CA -0.392 54.479 54.840 0.053 0.000 0.824 231 L CB 1.614 43.709 42.059 0.060 0.000 1.263 231 L HN 0.277 nan 8.230 nan 0.000 0.410 232 E N 3.656 123.876 120.200 0.033 0.000 2.217 232 E HA 0.399 4.746 4.350 -0.004 0.000 0.279 232 E C -1.148 175.453 176.600 0.003 0.000 1.068 232 E CA -0.089 56.325 56.400 0.024 0.000 0.882 232 E CB 1.293 31.008 29.700 0.025 0.000 1.039 232 E HN 0.318 nan 8.360 nan 0.000 0.418 233 V N 3.801 123.708 119.914 -0.013 0.000 2.808 233 V HA 0.051 4.168 4.120 -0.004 0.000 0.308 233 V C -0.198 175.855 176.094 -0.068 0.000 1.099 233 V CA -0.598 61.672 62.300 -0.050 0.000 0.920 233 V CB 2.174 33.947 31.823 -0.083 0.000 1.014 233 V HN 0.644 nan 8.190 nan 0.000 0.425 234 D N 1.547 121.903 120.400 -0.073 0.000 2.214 234 D HA 0.089 4.727 4.640 -0.004 0.000 0.217 234 D C 0.820 177.045 176.300 -0.126 0.000 0.973 234 D CA 1.304 55.254 54.000 -0.083 0.000 0.880 234 D CB 0.354 41.117 40.800 -0.061 0.000 1.031 234 D HN 0.656 nan 8.370 nan 0.000 0.468 235 S N -0.318 115.309 115.700 -0.121 0.000 2.536 235 S HA 0.647 5.115 4.470 -0.004 0.000 0.287 235 S C -0.580 173.937 174.600 -0.138 0.000 1.101 235 S CA -0.880 57.239 58.200 -0.135 0.000 0.950 235 S CB 1.868 64.999 63.200 -0.116 0.000 1.056 235 S HN 0.036 nan 8.310 nan 0.000 0.481 236 I N 2.230 122.723 120.570 -0.128 0.000 2.354 236 I HA 0.306 4.474 4.170 -0.004 0.000 0.286 236 I C 0.182 176.214 176.117 -0.140 0.000 1.007 236 I CA -0.365 60.814 61.300 -0.202 0.000 1.167 236 I CB 1.674 39.498 38.000 -0.293 0.000 1.320 236 I HN 0.733 nan 8.210 nan 0.000 0.458 237 Q N 7.047 126.752 119.800 -0.159 0.000 2.402 237 Q HA 0.322 4.659 4.340 -0.004 0.000 0.238 237 Q C -0.757 175.125 176.000 -0.196 0.000 1.126 237 Q CA -0.133 55.552 55.803 -0.198 0.000 0.904 237 Q CB 0.660 29.278 28.738 -0.200 0.000 1.357 237 Q HN 0.608 nan 8.270 nan 0.000 0.491 238 I N 4.530 124.992 120.570 -0.179 0.000 2.330 238 I HA 0.300 4.467 4.170 -0.004 0.000 0.286 238 I C -1.009 174.982 176.117 -0.210 0.000 1.025 238 I CA -0.682 60.598 61.300 -0.034 0.000 1.197 238 I CB 0.333 38.355 38.000 0.036 0.000 1.358 238 I HN 0.462 nan 8.210 nan 0.000 0.467 239 F N 5.677 125.588 119.950 -0.065 0.000 2.399 239 F HA 0.466 4.990 4.527 -0.005 0.000 0.313 239 F C 1.251 176.917 175.800 -0.223 0.000 1.202 239 F CA -0.255 57.660 58.000 -0.142 0.000 1.192 239 F CB 0.425 39.384 39.000 -0.068 0.000 1.256 239 F HN 0.463 nan 8.300 nan 0.000 0.558 240 A N 1.085 123.878 122.820 -0.045 0.000 2.567 240 A HA 0.335 4.652 4.320 -0.004 0.000 0.240 240 A C 0.949 178.346 177.584 -0.310 0.000 1.053 240 A CA 0.567 52.482 52.037 -0.203 0.000 0.755 240 A CB -0.706 18.236 19.000 -0.098 0.000 0.978 240 A HN 1.710 nan 8.150 nan 0.000 0.507 241 S N -0.022 115.338 115.700 -0.566 0.000 2.769 241 S HA -0.251 4.216 4.470 -0.004 0.000 0.264 241 S C 0.192 174.481 174.600 -0.520 0.000 1.288 241 S CA 1.630 59.410 58.200 -0.699 0.000 1.378 241 S CB -2.350 60.250 63.200 -1.000 0.000 1.702 241 S HN 1.073 nan 8.310 nan 0.000 0.656 242 Q N 1.103 120.699 119.800 -0.340 0.000 2.417 242 Q HA 0.651 4.989 4.340 -0.004 0.000 0.241 242 Q C 0.079 175.880 176.000 -0.332 0.000 1.008 242 Q CA -0.100 55.552 55.803 -0.252 0.000 0.901 242 Q CB 0.344 29.021 28.738 -0.101 0.000 1.259 242 Q HN 0.481 nan 8.270 nan 0.000 0.489 243 R N 0.491 120.763 120.500 -0.379 0.000 2.744 243 R HA 0.544 4.882 4.340 -0.004 0.000 0.279 243 R C -1.634 174.373 176.300 -0.487 0.000 0.977 243 R CA -0.514 55.378 56.100 -0.347 0.000 0.906 243 R CB 1.339 31.457 30.300 -0.303 0.000 1.197 243 R HN 0.494 nan 8.270 nan 0.000 0.463 244 Y N -0.654 119.560 120.300 -0.143 0.000 2.492 244 Y HA 0.486 5.033 4.550 -0.005 0.000 0.346 244 Y C -0.425 175.448 175.900 -0.045 0.000 0.997 244 Y CA -0.626 57.428 58.100 -0.076 0.000 1.025 244 Y CB 2.867 41.310 38.460 -0.029 0.000 1.263 244 Y HN 0.446 nan 8.280 nan 0.000 0.454 245 S N 4.034 119.798 115.700 0.106 0.000 2.456 245 S HA 0.658 5.126 4.470 -0.004 0.000 0.316 245 S C -1.244 173.415 174.600 0.098 0.000 1.089 245 S CA -0.675 57.523 58.200 -0.003 0.000 1.101 245 S CB 0.040 63.182 63.200 -0.097 0.000 0.995 245 S HN 0.462 nan 8.310 nan 0.000 0.468 246 F N 0.848 120.814 119.950 0.027 0.000 2.540 246 F HA 0.826 5.350 4.527 -0.004 0.000 0.317 246 F C -0.931 174.906 175.800 0.061 0.000 1.104 246 F CA -1.300 56.726 58.000 0.043 0.000 0.913 246 F CB 0.708 39.751 39.000 0.071 0.000 1.170 246 F HN 0.166 nan 8.300 nan 0.000 0.450 247 V N 4.944 124.938 119.914 0.133 0.000 2.364 247 V HA 0.340 4.457 4.120 -0.004 0.000 0.272 247 V C -0.325 175.924 176.094 0.259 0.000 1.036 247 V CA -0.586 61.765 62.300 0.085 0.000 0.880 247 V CB 1.226 33.097 31.823 0.079 0.000 0.991 247 V HN 0.859 nan 8.190 nan 0.000 0.460 248 L N 5.305 126.708 121.223 0.300 0.000 2.272 248 L HA 0.566 4.903 4.340 -0.004 0.000 0.289 248 L C 0.144 177.180 176.870 0.277 0.000 1.032 248 L CA -0.249 54.818 54.840 0.378 0.000 0.810 248 L CB 1.043 43.443 42.059 0.569 0.000 1.205 248 L HN 0.513 nan 8.230 nan 0.000 0.422 249 N N 4.782 123.625 118.700 0.238 0.000 2.482 249 N HA 0.218 4.955 4.740 -0.004 0.000 0.242 249 N C -0.106 175.556 175.510 0.253 0.000 1.100 249 N CA -0.025 53.149 53.050 0.206 0.000 0.946 249 N CB 1.381 39.958 38.487 0.150 0.000 1.227 249 N HN 0.678 nan 8.380 nan 0.000 0.508 250 A N 2.009 125.008 122.820 0.298 0.000 2.898 250 A HA 0.076 4.394 4.320 -0.004 0.000 0.288 250 A C 1.210 179.024 177.584 0.383 0.000 1.771 250 A CA 0.041 52.311 52.037 0.387 0.000 1.383 250 A CB -0.791 18.419 19.000 0.350 0.000 1.028 250 A HN 0.586 nan 8.150 nan 0.000 0.595 251 T N -1.664 113.060 114.554 0.283 0.000 3.040 251 T HA 0.181 4.528 4.350 -0.004 0.000 0.266 251 T C 0.427 175.135 174.700 0.013 0.000 1.005 251 T CA -0.250 61.925 62.100 0.124 0.000 0.906 251 T CB 0.190 69.105 68.868 0.078 0.000 1.082 251 T HN 0.506 nan 8.240 nan 0.000 0.531 252 Q N 2.565 122.345 119.800 -0.034 0.000 2.205 252 Q HA 0.494 4.832 4.340 -0.004 0.000 0.249 252 Q C 0.226 175.989 176.000 -0.395 0.000 0.948 252 Q CA -0.350 55.328 55.803 -0.209 0.000 0.895 252 Q CB 1.513 30.053 28.738 -0.330 0.000 1.249 252 Q HN 0.530 nan 8.270 nan 0.000 0.458 253 S N -0.786 114.789 115.700 -0.207 0.000 2.558 253 S HA 0.073 4.541 4.470 -0.004 0.000 0.287 253 S C 0.448 174.861 174.600 -0.311 0.000 1.321 253 S CA -0.764 57.315 58.200 -0.203 0.000 1.048 253 S CB 0.113 63.262 63.200 -0.085 0.000 0.844 253 S HN 0.362 nan 8.310 nan 0.000 0.512 254 V N 3.681 123.440 119.914 -0.258 0.000 2.415 254 V HA 0.171 4.288 4.120 -0.004 0.000 0.252 254 V C 0.492 176.570 176.094 -0.027 0.000 1.043 254 V CA 0.600 62.800 62.300 -0.166 0.000 1.149 254 V CB -1.419 30.386 31.823 -0.030 0.000 1.143 254 V HN 0.890 nan 8.190 nan 0.000 0.478 255 D N 2.936 123.399 120.400 0.105 0.000 2.596 255 D HA 0.292 4.929 4.640 -0.004 0.000 0.262 255 D C -0.978 175.378 176.300 0.093 0.000 1.210 255 D CA -0.712 53.289 54.000 0.002 0.000 0.873 255 D CB 2.073 42.722 40.800 -0.252 0.000 1.408 255 D HN 0.319 nan 8.370 nan 0.000 0.441 256 N N 1.191 119.781 118.700 -0.184 0.000 2.419 256 N HA 0.257 4.994 4.740 -0.004 0.000 0.264 256 N C -0.925 174.327 175.510 -0.431 0.000 1.031 256 N CA 0.038 52.969 53.050 -0.199 0.000 0.951 256 N CB 0.723 39.040 38.487 -0.283 0.000 1.101 256 N HN 0.264 nan 8.380 nan 0.000 0.488 257 Y N -0.095 120.111 120.300 -0.157 0.000 2.509 257 Y HA 0.368 4.915 4.550 -0.005 0.000 0.341 257 Y C -0.039 175.718 175.900 -0.238 0.000 1.038 257 Y CA -0.910 57.108 58.100 -0.137 0.000 1.089 257 Y CB 1.203 39.722 38.460 0.098 0.000 1.241 257 Y HN 0.399 nan 8.280 nan 0.000 0.468 258 W N 3.239 124.590 121.300 0.085 0.000 2.287 258 W HA 0.536 5.194 4.660 -0.004 0.000 0.313 258 W C -0.672 175.783 176.519 -0.106 0.000 1.267 258 W CA -0.268 57.058 57.345 -0.032 0.000 1.201 258 W CB 0.602 30.027 29.460 -0.058 0.000 1.196 258 W HN 0.176 nan 8.180 nan 0.000 0.536 259 I N 4.864 125.527 120.570 0.154 0.000 2.312 259 I HA 0.332 4.500 4.170 -0.004 0.000 0.290 259 I C 0.057 176.074 176.117 -0.167 0.000 1.008 259 I CA -0.798 60.431 61.300 -0.118 0.000 1.226 259 I CB 0.637 38.562 38.000 -0.125 0.000 1.371 259 I HN 0.314 nan 8.210 nan 0.000 0.468 260 R N 5.132 125.415 120.500 -0.361 0.000 2.514 260 R HA 0.750 5.088 4.340 -0.004 0.000 0.301 260 R C -0.432 175.625 176.300 -0.404 0.000 0.962 260 R CA -0.645 55.258 56.100 -0.328 0.000 0.882 260 R CB 2.023 32.160 30.300 -0.271 0.000 1.143 260 R HN 0.705 nan 8.270 nan 0.000 0.452 261 A N 4.077 126.727 122.820 -0.283 0.000 3.317 261 A HA 0.216 4.533 4.320 -0.004 0.000 0.307 261 A C -0.269 177.147 177.584 -0.280 0.000 1.003 261 A CA -0.542 51.337 52.037 -0.262 0.000 0.882 261 A CB 0.155 18.960 19.000 -0.324 0.000 1.136 261 A HN 0.840 nan 8.150 nan 0.000 0.488 262 I N 3.104 123.578 120.570 -0.160 0.000 2.662 262 I HA 0.195 4.362 4.170 -0.004 0.000 0.285 262 I C -1.991 174.153 176.117 0.045 0.000 1.161 262 I CA -1.360 59.886 61.300 -0.089 0.000 1.415 262 I CB 1.226 39.172 38.000 -0.090 0.000 1.385 262 I HN 0.288 nan 8.210 nan 0.000 0.552 263 P HA 0.111 nan 4.420 nan 0.000 0.276 263 P C -0.362 176.976 177.300 0.064 0.000 1.252 263 P CA -0.343 62.904 63.100 0.246 0.000 0.802 263 P CB 0.568 32.420 31.700 0.253 0.000 1.035 264 N N -0.489 118.216 118.700 0.009 0.000 2.300 264 N HA -0.038 4.700 4.740 -0.004 0.000 0.179 264 N C 0.398 175.901 175.510 -0.011 0.000 1.016 264 N CA 0.992 54.026 53.050 -0.025 0.000 0.876 264 N CB -0.712 37.740 38.487 -0.057 0.000 0.979 264 N HN 0.342 nan 8.380 nan 0.000 0.432 265 T N -1.260 113.293 114.554 -0.002 0.000 2.932 265 T HA 0.602 4.949 4.350 -0.004 0.000 0.289 265 T C 0.090 174.794 174.700 0.007 0.000 1.039 265 T CA 0.419 62.520 62.100 0.001 0.000 1.024 265 T CB 1.172 70.042 68.868 0.003 0.000 1.090 265 T HN 0.676 nan 8.240 nan 0.000 0.496 266 G N 1.272 110.071 108.800 -0.001 0.000 2.472 266 G HA2 -0.097 3.861 3.960 -0.004 0.000 0.205 266 G HA3 -0.097 3.861 3.960 -0.004 0.000 0.205 266 G C -0.005 174.887 174.900 -0.014 0.000 1.270 266 G CA -0.136 44.960 45.100 -0.008 0.000 0.974 266 G HN 0.978 nan 8.290 nan 0.000 0.542 267 T N 1.108 115.651 114.554 -0.019 0.000 2.848 267 T HA 0.484 4.832 4.350 -0.004 0.000 0.283 267 T C 0.872 175.549 174.700 -0.038 0.000 0.919 267 T CA 0.293 62.379 62.100 -0.024 0.000 1.071 267 T CB -1.311 67.546 68.868 -0.017 0.000 0.912 267 T HN 1.182 nan 8.240 nan 0.000 0.570 268 I N 2.399 122.945 120.570 -0.040 0.000 2.308 268 I HA 0.696 4.864 4.170 -0.004 0.000 0.293 268 I C -0.315 175.762 176.117 -0.067 0.000 1.078 268 I CA -0.460 60.808 61.300 -0.053 0.000 1.292 268 I CB 0.515 38.489 38.000 -0.043 0.000 1.423 268 I HN 0.365 nan 8.210 nan 0.000 0.493 269 D N 3.271 123.616 120.400 -0.093 0.000 2.145 269 D HA 0.064 4.701 4.640 -0.004 0.000 0.157 269 D C 0.475 176.683 176.300 -0.154 0.000 1.106 269 D CA -0.274 53.661 54.000 -0.108 0.000 0.890 269 D CB 1.438 42.188 40.800 -0.083 0.000 3.058 269 D HN 0.544 nan 8.370 nan 0.000 0.495 270 T N 0.557 114.994 114.554 -0.196 0.000 2.915 270 T HA -0.008 4.339 4.350 -0.004 0.000 0.269 270 T C 0.949 175.473 174.700 -0.292 0.000 1.071 270 T CA 0.740 62.660 62.100 -0.300 0.000 1.132 270 T CB -0.192 68.448 68.868 -0.380 0.000 0.878 270 T HN 0.439 nan 8.240 nan 0.000 0.479 271 T N 1.773 116.211 114.554 -0.194 0.000 2.866 271 T HA 0.353 4.700 4.350 -0.004 0.000 0.293 271 T C 1.464 176.081 174.700 -0.140 0.000 1.005 271 T CA 0.968 62.981 62.100 -0.146 0.000 1.162 271 T CB 0.198 69.008 68.868 -0.095 0.000 0.968 271 T HN 0.568 nan 8.240 nan 0.000 0.530 272 G N 2.286 111.009 108.800 -0.128 0.000 2.218 272 G HA2 0.029 3.987 3.960 -0.004 0.000 0.216 272 G HA3 0.029 3.987 3.960 -0.004 0.000 0.216 272 G C 0.914 175.738 174.900 -0.127 0.000 0.994 272 G CA 0.147 45.180 45.100 -0.111 0.000 0.637 272 G HN 1.853 nan 8.290 nan 0.000 0.505 273 G N -0.947 107.728 108.800 -0.208 0.000 2.147 273 G HA2 -0.046 3.911 3.960 -0.004 0.000 0.244 273 G HA3 -0.046 3.911 3.960 -0.004 0.000 0.244 273 G C 0.219 174.983 174.900 -0.227 0.000 1.005 273 G CA 0.546 45.488 45.100 -0.262 0.000 0.713 273 G HN 1.308 nan 8.290 nan 0.000 0.515 274 L N 0.311 121.405 121.223 -0.215 0.000 2.417 274 L HA 0.399 4.736 4.340 -0.004 0.000 0.268 274 L C 1.292 178.042 176.870 -0.201 0.000 1.158 274 L CA 0.359 55.103 54.840 -0.159 0.000 0.819 274 L CB -0.163 41.826 42.059 -0.116 0.000 1.112 274 L HN 0.500 nan 8.230 nan 0.000 0.458 275 N N 0.283 118.889 118.700 -0.158 0.000 2.740 275 N HA -0.179 4.558 4.740 -0.004 0.000 0.248 275 N C -0.749 174.629 175.510 -0.220 0.000 1.062 275 N CA 0.461 53.397 53.050 -0.191 0.000 0.704 275 N CB -0.730 37.638 38.487 -0.198 0.000 0.968 275 N HN 0.588 nan 8.380 nan 0.000 0.547 276 S N -0.600 114.994 115.700 -0.177 0.000 2.564 276 S HA 0.886 5.353 4.470 -0.004 0.000 0.274 276 S C -0.556 174.066 174.600 0.037 0.000 1.124 276 S CA -0.337 57.782 58.200 -0.135 0.000 0.869 276 S CB 2.493 65.455 63.200 -0.398 0.000 1.105 276 S HN 0.464 nan 8.310 nan 0.000 0.472 277 A N 1.454 124.354 122.820 0.134 0.000 2.527 277 A HA 0.874 5.191 4.320 -0.004 0.000 0.293 277 A C -1.329 176.356 177.584 0.169 0.000 1.117 277 A CA -0.744 51.372 52.037 0.132 0.000 0.723 277 A CB 0.820 19.839 19.000 0.031 0.000 1.313 277 A HN 0.745 nan 8.150 nan 0.000 0.411 278 I N 1.195 121.792 120.570 0.045 0.000 2.321 278 I HA 0.276 4.443 4.170 -0.004 0.000 0.291 278 I C -0.760 175.298 176.117 -0.098 0.000 0.998 278 I CA -0.561 60.693 61.300 -0.077 0.000 1.227 278 I CB 1.446 39.361 38.000 -0.142 0.000 1.368 278 I HN 0.479 nan 8.210 nan 0.000 0.466 279 L N 8.050 129.208 121.223 -0.109 0.000 2.259 279 L HA 0.387 4.725 4.340 -0.004 0.000 0.288 279 L C -0.093 176.736 176.870 -0.068 0.000 1.051 279 L CA -0.019 54.736 54.840 -0.142 0.000 0.824 279 L CB 0.326 42.266 42.059 -0.199 0.000 1.206 279 L HN 0.543 nan 8.230 nan 0.000 0.429 280 R N 4.313 124.754 120.500 -0.098 0.000 2.320 280 R HA 0.302 4.640 4.340 -0.004 0.000 0.319 280 R C -1.265 175.028 176.300 -0.011 0.000 0.969 280 R CA -0.617 55.475 56.100 -0.013 0.000 0.857 280 R CB 0.498 30.778 30.300 -0.033 0.000 1.160 280 R HN 0.513 nan 8.270 nan 0.000 0.491 281 Y N 2.091 122.419 120.300 0.046 0.000 2.620 281 Y HA -0.073 4.474 4.550 -0.005 0.000 0.330 281 Y C 1.140 177.060 175.900 0.034 0.000 1.186 281 Y CA 0.953 59.083 58.100 0.050 0.000 1.467 281 Y CB 0.959 39.480 38.460 0.102 0.000 1.262 281 Y HN 0.520 nan 8.280 nan 0.000 0.550 282 S N 2.861 118.661 115.700 0.166 0.000 2.629 282 S HA 0.271 4.738 4.470 -0.004 0.000 0.302 282 S C 1.055 175.722 174.600 0.112 0.000 1.244 282 S CA 0.943 59.210 58.200 0.112 0.000 1.098 282 S CB -0.701 62.559 63.200 0.100 0.000 0.858 282 S HN 1.147 nan 8.310 nan 0.000 0.502 283 G N 2.854 111.699 108.800 0.075 0.000 2.231 283 G HA2 -0.041 3.917 3.960 -0.004 0.000 0.206 283 G HA3 -0.041 3.917 3.960 -0.004 0.000 0.206 283 G C 0.183 175.107 174.900 0.040 0.000 0.996 283 G CA -0.052 45.080 45.100 0.053 0.000 0.645 283 G HN 1.299 nan 8.290 nan 0.000 0.498 284 A N 0.260 123.112 122.820 0.053 0.000 2.304 284 A HA 0.627 4.945 4.320 -0.004 0.000 0.271 284 A C 0.088 177.672 177.584 0.001 0.000 1.091 284 A CA 0.230 52.282 52.037 0.025 0.000 0.812 284 A CB 0.283 19.308 19.000 0.042 0.000 1.056 284 A HN 0.343 nan 8.150 nan 0.000 0.489 285 D N 0.422 120.809 120.400 -0.021 0.000 2.443 285 D HA 0.245 4.883 4.640 -0.004 0.000 0.239 285 D C 0.719 176.995 176.300 -0.039 0.000 1.136 285 D CA 0.329 54.312 54.000 -0.029 0.000 0.879 285 D CB 0.378 41.156 40.800 -0.037 0.000 1.195 285 D HN 0.485 nan 8.370 nan 0.000 0.443 286 I N -0.047 120.504 120.570 -0.032 0.000 2.749 286 I HA 0.066 4.234 4.170 -0.004 0.000 0.283 286 I C -0.195 175.893 176.117 -0.049 0.000 0.993 286 I CA -0.399 60.880 61.300 -0.036 0.000 2.393 286 I CB -1.275 36.712 38.000 -0.022 0.000 1.549 286 I HN 0.013 nan 8.210 nan 0.000 1.045 287 V N -0.890 118.980 119.914 -0.073 0.000 3.103 287 V HA 0.592 4.710 4.120 -0.004 0.000 0.318 287 V C -0.294 175.715 176.094 -0.141 0.000 1.114 287 V CA -0.867 61.382 62.300 -0.086 0.000 1.020 287 V CB 1.620 33.394 31.823 -0.083 0.000 1.085 287 V HN 0.167 nan 8.190 nan 0.000 0.446 288 D N 2.251 122.572 120.400 -0.132 0.000 2.350 288 D HA 0.452 5.089 4.640 -0.004 0.000 0.249 288 D C -2.545 173.528 176.300 -0.378 0.000 1.119 288 D CA -0.888 52.976 54.000 -0.226 0.000 0.886 288 D CB 0.795 41.585 40.800 -0.016 0.000 1.195 288 D HN 0.535 nan 8.370 nan 0.000 0.437 289 P HA -0.002 nan 4.420 nan 0.000 0.265 289 P C 0.551 177.547 177.300 -0.507 0.000 1.187 289 P CA 0.144 62.700 63.100 -0.907 0.000 0.766 289 P CB 0.401 31.039 31.700 -1.771 0.000 0.820 290 T N -1.593 112.788 114.554 -0.289 0.000 3.085 290 T HA 0.454 4.802 4.350 -0.004 0.000 0.264 290 T C 0.662 175.361 174.700 -0.003 0.000 1.019 290 T CA -0.342 61.727 62.100 -0.053 0.000 0.910 290 T CB -0.130 68.697 68.868 -0.068 0.000 1.059 290 T HN 0.416 nan 8.240 nan 0.000 0.542 291 A N 2.040 124.817 122.820 -0.071 0.000 2.445 291 A HA 0.558 4.875 4.320 -0.004 0.000 0.242 291 A C 0.096 177.803 177.584 0.205 0.000 1.075 291 A CA -0.440 51.606 52.037 0.016 0.000 0.777 291 A CB 0.076 19.057 19.000 -0.032 0.000 1.013 291 A HN 0.475 nan 8.150 nan 0.000 0.493 292 N N -0.182 118.592 118.700 0.124 0.000 2.370 292 N HA 0.573 5.310 4.740 -0.004 0.000 0.303 292 N C -0.558 174.997 175.510 0.076 0.000 1.103 292 N CA -0.093 53.014 53.050 0.094 0.000 0.848 292 N CB 1.885 40.398 38.487 0.045 0.000 1.235 292 N HN 0.759 nan 8.380 nan 0.000 0.496 293 A N 0.815 123.654 122.820 0.032 0.000 2.302 293 A HA 0.362 4.679 4.320 -0.004 0.000 0.295 293 A C 0.687 178.265 177.584 -0.010 0.000 1.235 293 A CA -0.328 51.711 52.037 0.003 0.000 0.876 293 A CB -0.062 18.912 19.000 -0.042 0.000 1.133 293 A HN 0.533 nan 8.150 nan 0.000 0.533 294 T N 1.439 115.989 114.554 -0.005 0.000 2.816 294 T HA 0.373 4.720 4.350 -0.004 0.000 0.282 294 T C 0.774 175.458 174.700 -0.026 0.000 0.993 294 T CA 0.235 62.328 62.100 -0.012 0.000 0.994 294 T CB 0.562 69.427 68.868 -0.006 0.000 1.025 294 T HN 0.748 nan 8.240 nan 0.000 0.529 295 T N 1.664 116.203 114.554 -0.024 0.000 2.926 295 T HA 0.230 4.577 4.350 -0.004 0.000 0.307 295 T C 0.062 174.744 174.700 -0.031 0.000 1.059 295 T CA -0.133 61.950 62.100 -0.028 0.000 1.122 295 T CB 0.245 69.100 68.868 -0.022 0.000 0.972 295 T HN 0.621 nan 8.240 nan 0.000 0.545 296 S N 2.488 118.167 115.700 -0.036 0.000 2.430 296 S HA 0.365 4.832 4.470 -0.004 0.000 0.289 296 S C 1.112 175.695 174.600 -0.028 0.000 1.143 296 S CA -0.835 57.341 58.200 -0.039 0.000 1.067 296 S CB 0.199 63.368 63.200 -0.052 0.000 0.964 296 S HN 0.602 nan 8.310 nan 0.000 0.485 297 V N 4.435 124.334 119.914 -0.024 0.000 3.263 297 V HA 0.346 4.463 4.120 -0.004 0.000 0.248 297 V C 0.910 176.995 176.094 -0.015 0.000 1.145 297 V CA 0.335 62.625 62.300 -0.016 0.000 1.107 297 V CB -0.594 31.222 31.823 -0.012 0.000 0.797 297 V HN 0.905 nan 8.190 nan 0.000 0.467 298 I N 0.145 120.703 120.570 -0.020 0.000 2.692 298 I HA 0.583 4.751 4.170 -0.004 0.000 0.285 298 I C -2.987 173.111 176.117 -0.032 0.000 1.191 298 I CA -2.102 59.187 61.300 -0.019 0.000 1.128 298 I CB 1.444 39.437 38.000 -0.013 0.000 1.585 298 I HN 0.045 nan 8.210 nan 0.000 0.558 299 P HA 0.258 nan 4.420 nan 0.000 0.283 299 P C -0.566 176.705 177.300 -0.048 0.000 1.278 299 P CA -0.748 62.322 63.100 -0.049 0.000 0.834 299 P CB 1.679 33.354 31.700 -0.041 0.000 1.150 300 L N 1.568 122.746 121.223 -0.076 0.000 2.500 300 L HA 0.151 4.488 4.340 -0.004 0.000 0.272 300 L C -0.774 176.084 176.870 -0.021 0.000 1.149 300 L CA 0.211 55.006 54.840 -0.076 0.000 0.897 300 L CB -0.435 41.522 42.059 -0.171 0.000 1.178 300 L HN 0.028 nan 8.230 nan 0.000 0.473 301 V N 5.531 125.450 119.914 0.007 0.000 2.417 301 V HA 0.261 4.378 4.120 -0.004 0.000 0.291 301 V C 1.080 177.210 176.094 0.059 0.000 1.024 301 V CA -0.581 61.740 62.300 0.036 0.000 0.861 301 V CB 1.214 33.055 31.823 0.030 0.000 0.985 301 V HN 0.884 nan 8.190 nan 0.000 0.436 302 E N 2.782 123.030 120.200 0.081 0.000 2.077 302 E HA -0.232 4.115 4.350 -0.004 0.000 0.193 302 E C 1.974 178.623 176.600 0.082 0.000 0.989 302 E CA 1.843 58.302 56.400 0.098 0.000 0.800 302 E CB 0.071 29.832 29.700 0.103 0.000 0.746 302 E HN 0.861 nan 8.360 nan 0.000 0.452 303 T N -0.050 114.540 114.554 0.059 0.000 2.977 303 T HA -0.119 4.228 4.350 -0.004 0.000 0.271 303 T C 0.872 175.608 174.700 0.061 0.000 1.105 303 T CA 1.414 63.543 62.100 0.048 0.000 1.116 303 T CB -0.219 68.662 68.868 0.023 0.000 0.878 303 T HN 0.156 nan 8.240 nan 0.000 0.509 304 D N 0.386 120.825 120.400 0.066 0.000 2.323 304 D HA 0.156 4.793 4.640 -0.004 0.000 0.209 304 D C 0.461 176.820 176.300 0.099 0.000 0.973 304 D CA 0.185 54.227 54.000 0.070 0.000 0.874 304 D CB -0.053 40.780 40.800 0.055 0.000 0.930 304 D HN 0.409 nan 8.370 nan 0.000 0.521 305 L N 1.493 122.789 121.223 0.122 0.000 2.360 305 L HA 0.164 4.501 4.340 -0.004 0.000 0.276 305 L C 0.072 177.092 176.870 0.251 0.000 1.121 305 L CA -0.470 54.481 54.840 0.185 0.000 0.845 305 L CB 1.076 43.229 42.059 0.157 0.000 1.143 305 L HN -0.170 nan 8.230 nan 0.000 0.452 306 V N 2.368 122.450 119.914 0.280 0.000 2.540 306 V HA 0.617 4.735 4.120 -0.004 0.000 0.302 306 V C -2.601 173.521 176.094 0.046 0.000 1.035 306 V CA -2.745 59.663 62.300 0.180 0.000 0.873 306 V CB 1.495 33.379 31.823 0.101 0.000 0.992 306 V HN 0.455 nan 8.190 nan 0.000 0.428 307 P HA 0.184 nan 4.420 nan 0.000 0.271 307 P C 0.503 177.634 177.300 -0.282 0.000 1.216 307 P CA -0.250 62.405 63.100 -0.741 0.000 0.776 307 P CB 1.077 32.547 31.700 -0.384 0.000 0.881 308 L N 2.391 123.485 121.223 -0.216 0.000 2.044 308 L HA 0.105 4.442 4.340 -0.004 0.000 0.205 308 L C 0.555 177.404 176.870 -0.034 0.000 1.075 308 L CA 1.963 56.788 54.840 -0.026 0.000 0.747 308 L CB -0.420 41.678 42.059 0.065 0.000 0.903 308 L HN 0.306 nan 8.230 nan 0.000 0.435 309 D N -1.016 119.357 120.400 -0.044 0.000 2.340 309 D HA 0.228 4.865 4.640 -0.004 0.000 0.240 309 D C -0.235 176.054 176.300 -0.018 0.000 1.001 309 D CA 0.519 54.505 54.000 -0.024 0.000 0.888 309 D CB 1.861 42.653 40.800 -0.013 0.000 1.310 309 D HN 0.313 nan 8.370 nan 0.000 0.474 310 S N 1.622 117.320 115.700 -0.002 0.000 3.356 310 S HA -0.123 4.344 4.470 -0.004 0.000 0.376 310 S C -1.730 172.881 174.600 0.018 0.000 0.924 310 S CA 0.050 58.258 58.200 0.013 0.000 1.316 310 S CB -1.314 61.899 63.200 0.022 0.000 0.922 310 S HN 0.515 nan 8.310 nan 0.000 0.553 311 P HA 0.228 nan 4.420 nan 0.000 0.224 311 P C 0.731 178.065 177.300 0.058 0.000 1.157 311 P CA 1.125 64.236 63.100 0.018 0.000 0.799 311 P CB -0.172 31.536 31.700 0.014 0.000 0.809 312 A N 0.691 123.549 122.820 0.063 0.000 2.477 312 A HA 0.456 4.773 4.320 -0.004 0.000 0.246 312 A C 0.632 178.280 177.584 0.107 0.000 1.078 312 A CA -0.046 52.043 52.037 0.087 0.000 0.770 312 A CB -0.283 18.760 19.000 0.071 0.000 1.011 312 A HN 0.300 nan 8.150 nan 0.000 0.494 313 A N 4.380 127.288 122.820 0.146 0.000 2.371 313 A HA 0.633 4.951 4.320 -0.004 0.000 0.257 313 A C -1.889 175.772 177.584 0.129 0.000 1.089 313 A CA -1.373 50.763 52.037 0.166 0.000 0.794 313 A CB -0.365 18.773 19.000 0.231 0.000 1.029 313 A HN 0.735 nan 8.150 nan 0.000 0.488 314 P HA 0.397 nan 4.420 nan 0.000 0.270 314 P C 0.424 177.742 177.300 0.029 0.000 1.223 314 P CA 1.269 64.402 63.100 0.055 0.000 0.785 314 P CB 0.328 32.053 31.700 0.043 0.000 0.923 315 G N 1.610 110.400 108.800 -0.016 0.000 2.722 315 G HA2 -0.082 3.875 3.960 -0.004 0.000 0.686 315 G HA3 -0.082 3.875 3.960 -0.004 0.000 0.686 315 G C -0.800 174.046 174.900 -0.089 0.000 1.282 315 G CA -0.547 44.518 45.100 -0.057 0.000 0.817 315 G HN 0.809 nan 8.290 nan 0.000 0.605 316 D N 1.689 122.014 120.400 -0.126 0.000 2.424 316 D HA 0.333 4.970 4.640 -0.004 0.000 0.244 316 D C -2.365 173.727 176.300 -0.347 0.000 1.134 316 D CA -1.409 52.491 54.000 -0.167 0.000 0.881 316 D CB 0.751 41.474 40.800 -0.129 0.000 1.191 316 D HN 0.173 nan 8.370 nan 0.000 0.445 317 P HA 0.022 nan 4.420 nan 0.000 0.240 317 P C -0.839 176.021 177.300 -0.733 0.000 1.594 317 P CA 0.229 62.812 63.100 -0.861 0.000 1.184 317 P CB 0.076 31.607 31.700 -0.281 0.000 1.915 318 V N 2.042 121.497 119.914 -0.766 0.000 3.012 318 V HA 0.146 4.264 4.120 -0.004 0.000 0.307 318 V C 0.066 175.980 176.094 -0.299 0.000 1.166 318 V CA -0.987 61.083 62.300 -0.383 0.000 0.974 318 V CB 2.753 34.439 31.823 -0.229 0.000 1.040 318 V HN -0.156 nan 8.190 nan 0.000 0.428 319 V N 3.799 123.592 119.914 -0.201 0.000 2.400 319 V HA 0.470 4.587 4.120 -0.004 0.000 0.263 319 V C 1.379 177.396 176.094 -0.129 0.000 1.026 319 V CA 1.647 63.835 62.300 -0.187 0.000 1.077 319 V CB -0.342 31.315 31.823 -0.276 0.000 1.054 319 V HN 1.419 nan 8.190 nan 0.000 0.477 320 G N 4.315 113.057 108.800 -0.098 0.000 2.238 320 G HA2 -0.157 3.800 3.960 -0.004 0.000 0.217 320 G HA3 -0.157 3.800 3.960 -0.004 0.000 0.217 320 G C 0.735 175.577 174.900 -0.097 0.000 0.996 320 G CA -0.292 44.756 45.100 -0.087 0.000 0.632 320 G HN 1.285 nan 8.290 nan 0.000 0.503 321 G N 0.415 109.137 108.800 -0.129 0.000 2.843 321 G HA2 0.559 4.516 3.960 -0.004 0.000 0.275 321 G HA3 0.559 4.516 3.960 -0.004 0.000 0.275 321 G C -0.261 174.566 174.900 -0.121 0.000 0.709 321 G CA 0.911 45.927 45.100 -0.139 0.000 2.089 321 G HN 1.353 nan 8.290 nan 0.000 0.571 322 V N 0.584 120.439 119.914 -0.098 0.000 3.264 322 V HA 0.242 4.359 4.120 -0.004 0.000 0.294 322 V C -0.014 176.025 176.094 -0.092 0.000 1.429 322 V CA -0.654 61.590 62.300 -0.094 0.000 1.053 322 V CB 2.077 33.845 31.823 -0.092 0.000 1.128 322 V HN 0.415 nan 8.190 nan 0.000 0.452 323 D N 1.440 121.779 120.400 -0.101 0.000 2.097 323 D HA 0.024 4.661 4.640 -0.004 0.000 0.197 323 D C 0.351 176.596 176.300 -0.093 0.000 0.984 323 D CA 1.678 55.623 54.000 -0.091 0.000 0.826 323 D CB 0.445 41.189 40.800 -0.093 0.000 0.973 323 D HN 0.286 nan 8.370 nan 0.000 0.460 324 L N 0.564 121.714 121.223 -0.122 0.000 2.415 324 L HA 0.476 4.814 4.340 -0.004 0.000 0.268 324 L C -1.178 175.614 176.870 -0.129 0.000 0.984 324 L CA -0.486 54.286 54.840 -0.114 0.000 0.853 324 L CB 1.589 43.578 42.059 -0.116 0.000 1.215 324 L HN -0.198 nan 8.230 nan 0.000 0.419 325 A N 5.890 128.647 122.820 -0.104 0.000 2.328 325 A HA 0.701 5.019 4.320 -0.004 0.000 0.284 325 A C -0.579 176.938 177.584 -0.112 0.000 1.160 325 A CA -0.341 51.633 52.037 -0.105 0.000 0.818 325 A CB 0.816 19.764 19.000 -0.087 0.000 1.087 325 A HN 0.790 nan 8.150 nan 0.000 0.504 326 M N 3.552 123.070 119.600 -0.136 0.000 2.324 326 M HA 0.320 4.797 4.480 -0.004 0.000 0.288 326 M C -1.228 174.949 176.300 -0.206 0.000 1.097 326 M CA -0.252 54.953 55.300 -0.159 0.000 0.928 326 M CB 1.631 34.137 32.600 -0.158 0.000 1.648 326 M HN 0.824 nan 8.290 nan 0.000 0.460 327 N N 4.395 122.971 118.700 -0.206 0.000 2.362 327 N HA 0.504 5.241 4.740 -0.004 0.000 0.298 327 N C -1.940 173.398 175.510 -0.287 0.000 1.048 327 N CA -0.470 52.427 53.050 -0.255 0.000 0.858 327 N CB 1.308 39.682 38.487 -0.188 0.000 1.218 327 N HN 0.635 nan 8.380 nan 0.000 0.488 328 L N 2.788 123.760 121.223 -0.418 0.000 2.262 328 L HA 0.238 4.575 4.340 -0.004 0.000 0.288 328 L C 0.395 176.881 176.870 -0.640 0.000 1.035 328 L CA -0.397 54.175 54.840 -0.446 0.000 0.820 328 L CB 0.904 42.696 42.059 -0.446 0.000 1.204 328 L HN 0.422 nan 8.230 nan 0.000 0.424 329 D N 3.425 123.646 120.400 -0.297 0.000 2.336 329 D HA 0.146 4.783 4.640 -0.004 0.000 0.249 329 D C -0.629 175.684 176.300 0.022 0.000 1.213 329 D CA -0.153 53.740 54.000 -0.178 0.000 0.870 329 D CB 0.509 41.291 40.800 -0.030 0.000 1.076 329 D HN 0.034 nan 8.370 nan 0.000 0.483 330 F N 1.287 121.368 119.950 0.219 0.000 2.380 330 F HA 0.415 4.939 4.527 -0.005 0.000 0.321 330 F C 1.108 177.067 175.800 0.265 0.000 1.103 330 F CA -0.813 57.384 58.000 0.329 0.000 1.067 330 F CB 1.384 40.609 39.000 0.375 0.000 1.265 330 F HN 0.261 nan 8.300 nan 0.000 0.517 331 S N 0.580 116.605 115.700 0.542 0.000 2.627 331 S HA 0.679 5.146 4.470 -0.004 0.000 0.268 331 S C -1.849 172.974 174.600 0.372 0.000 1.130 331 S CA -0.937 57.484 58.200 0.369 0.000 0.819 331 S CB 1.612 64.979 63.200 0.279 0.000 1.100 331 S HN 0.577 nan 8.310 nan 0.000 0.465 332 F N 2.594 122.557 119.950 0.022 0.000 2.588 332 F HA 0.576 5.100 4.527 -0.004 0.000 0.318 332 F C 0.126 175.885 175.800 -0.068 0.000 1.155 332 F CA -0.683 57.167 58.000 -0.250 0.000 0.967 332 F CB 1.985 40.576 39.000 -0.683 0.000 1.236 332 F HN 0.827 nan 8.300 nan 0.000 0.455 333 N N 3.160 121.515 118.700 -0.574 0.000 2.203 333 N HA 0.325 5.062 4.740 -0.004 0.000 0.207 333 N C 0.910 176.118 175.510 -0.502 0.000 1.130 333 N CA 0.677 53.546 53.050 -0.301 0.000 0.861 333 N CB 1.121 39.658 38.487 0.083 0.000 1.005 333 N HN 1.021 nan 8.380 nan 0.000 0.507 334 G N 0.103 108.237 108.800 -1.110 0.000 2.697 334 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.200 334 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.200 334 G C 0.958 175.595 174.900 -0.439 0.000 1.106 334 G CA 0.546 45.306 45.100 -0.567 0.000 0.748 334 G HN 0.524 nan 8.290 nan 0.000 0.503 335 T N -1.823 112.466 114.554 -0.442 0.000 3.026 335 T HA 0.357 4.704 4.350 -0.004 0.000 0.245 335 T C 0.660 175.296 174.700 -0.107 0.000 1.004 335 T CA 0.700 62.728 62.100 -0.120 0.000 1.069 335 T CB 0.442 69.263 68.868 -0.079 0.000 1.005 335 T HN 0.416 nan 8.240 nan 0.000 0.472 336 N N 0.324 118.760 118.700 -0.440 0.000 2.272 336 N HA 0.542 5.280 4.740 -0.004 0.000 0.305 336 N C -1.747 173.362 175.510 -0.668 0.000 1.103 336 N CA -0.523 52.293 53.050 -0.390 0.000 0.791 336 N CB 1.995 40.209 38.487 -0.455 0.000 1.356 336 N HN 0.071 nan 8.380 nan 0.000 0.486 337 F N 0.929 120.678 119.950 -0.334 0.000 2.377 337 F HA 0.485 5.010 4.527 -0.004 0.000 0.328 337 F C -0.162 175.379 175.800 -0.431 0.000 1.094 337 F CA -0.114 57.715 58.000 -0.284 0.000 1.093 337 F CB 0.729 39.453 39.000 -0.460 0.000 1.214 337 F HN 0.304 nan 8.300 nan 0.000 0.518 338 F N 2.731 122.920 119.950 0.398 0.000 2.539 338 F HA 0.507 5.032 4.527 -0.004 0.000 0.318 338 F C -0.526 175.616 175.800 0.571 0.000 1.135 338 F CA -0.883 57.355 58.000 0.397 0.000 0.915 338 F CB 1.440 40.580 39.000 0.233 0.000 1.176 338 F HN 0.082 nan 8.300 nan 0.000 0.440 339 I N 3.122 124.122 120.570 0.718 0.000 2.355 339 I HA 0.271 4.438 4.170 -0.004 0.000 0.288 339 I C -0.250 176.128 176.117 0.436 0.000 0.999 339 I CA -0.702 60.975 61.300 0.628 0.000 1.163 339 I CB 1.089 39.438 38.000 0.582 0.000 1.316 339 I HN 0.718 nan 8.210 nan 0.000 0.454 340 N N 4.839 123.728 118.700 0.315 0.000 2.714 340 N HA -0.268 4.469 4.740 -0.004 0.000 0.253 340 N C 0.420 176.057 175.510 0.211 0.000 1.024 340 N CA 0.647 53.829 53.050 0.221 0.000 0.726 340 N CB -0.841 37.790 38.487 0.240 0.000 0.908 340 N HN 0.882 nan 8.380 nan 0.000 0.542 341 N N -0.935 117.879 118.700 0.190 0.000 2.828 341 N HA -0.238 4.499 4.740 -0.004 0.000 0.248 341 N C -0.793 174.799 175.510 0.136 0.000 1.044 341 N CA 2.095 55.175 53.050 0.050 0.000 0.851 341 N CB -0.301 38.184 38.487 -0.003 0.000 1.136 341 N HN 0.744 nan 8.380 nan 0.000 0.572 342 E N -1.084 119.332 120.200 0.361 0.000 2.343 342 E HA 0.660 5.007 4.350 -0.004 0.000 0.270 342 E C -1.043 175.894 176.600 0.561 0.000 0.895 342 E CA -0.554 56.096 56.400 0.416 0.000 0.767 342 E CB 1.782 31.631 29.700 0.248 0.000 1.248 342 E HN 0.171 nan 8.360 nan 0.000 0.440 343 T N 2.072 116.888 114.554 0.436 0.000 2.887 343 T HA 0.448 4.795 4.350 -0.004 0.000 0.288 343 T C -1.058 173.744 174.700 0.171 0.000 1.021 343 T CA -0.721 61.507 62.100 0.213 0.000 1.000 343 T CB 0.593 69.388 68.868 -0.122 0.000 1.034 343 T HN 0.418 nan 8.240 nan 0.000 0.467 344 L N 6.511 127.836 121.223 0.170 0.000 2.385 344 L HA 0.509 4.846 4.340 -0.004 0.000 0.285 344 L C -0.112 176.827 176.870 0.115 0.000 1.125 344 L CA -0.471 54.466 54.840 0.161 0.000 0.890 344 L CB -0.264 41.938 42.059 0.239 0.000 1.251 344 L HN 0.626 nan 8.230 nan 0.000 0.445 345 I N 3.643 124.259 120.570 0.076 0.000 2.307 345 I HA 0.462 4.630 4.170 -0.004 0.000 0.287 345 I C -2.229 173.884 176.117 -0.005 0.000 1.054 345 I CA -2.220 59.101 61.300 0.035 0.000 1.218 345 I CB 0.293 38.306 38.000 0.022 0.000 1.398 345 I HN 0.376 nan 8.210 nan 0.000 0.475 346 P HA 0.138 nan 4.420 nan 0.000 0.263 346 P C -2.176 174.990 177.300 -0.224 0.000 1.195 346 P CA -0.427 62.632 63.100 -0.068 0.000 0.762 346 P CB -0.076 31.620 31.700 -0.008 0.000 0.799 347 P HA 0.029 nan 4.420 nan 0.000 0.272 347 P C 0.484 177.648 177.300 -0.226 0.000 1.240 347 P CA -0.026 62.989 63.100 -0.142 0.000 0.791 347 P CB 0.637 32.300 31.700 -0.061 0.000 0.978 348 T N -0.708 113.762 114.554 -0.141 0.000 2.904 348 T HA 0.030 4.377 4.350 -0.004 0.000 0.267 348 T C 0.859 175.575 174.700 0.026 0.000 1.059 348 T CA 0.840 62.884 62.100 -0.094 0.000 1.137 348 T CB -0.137 68.708 68.868 -0.038 0.000 0.879 348 T HN 0.225 nan 8.240 nan 0.000 0.467 349 V N 3.078 123.004 119.914 0.020 0.000 2.398 349 V HA 0.346 4.463 4.120 -0.004 0.000 0.286 349 V C -2.558 173.566 176.094 0.051 0.000 1.026 349 V CA -2.769 59.553 62.300 0.036 0.000 0.868 349 V CB 1.326 33.156 31.823 0.013 0.000 0.982 349 V HN 0.034 nan 8.190 nan 0.000 0.443 350 P HA 0.049 nan 4.420 nan 0.000 0.265 350 P C 1.198 178.511 177.300 0.023 0.000 1.187 350 P CA 0.184 63.312 63.100 0.047 0.000 0.766 350 P CB 0.682 32.394 31.700 0.020 0.000 0.820 351 V N 3.765 123.661 119.914 -0.030 0.000 2.277 351 V HA -0.290 3.828 4.120 -0.004 0.000 0.253 351 V C 2.234 178.315 176.094 -0.023 0.000 1.067 351 V CA 1.890 64.157 62.300 -0.055 0.000 1.047 351 V CB -1.132 30.611 31.823 -0.133 0.000 0.649 351 V HN 0.608 nan 8.190 nan 0.000 0.447 352 L N -1.053 120.168 121.223 -0.004 0.000 1.971 352 L HA -0.235 4.102 4.340 -0.004 0.000 0.215 352 L C 2.465 179.422 176.870 0.144 0.000 1.072 352 L CA 1.991 56.856 54.840 0.042 0.000 0.758 352 L CB -0.366 41.753 42.059 0.101 0.000 0.889 352 L HN 0.340 nan 8.230 nan 0.000 0.433 353 L N -0.105 121.276 121.223 0.264 0.000 2.129 353 L HA -0.300 4.037 4.340 -0.004 0.000 0.212 353 L C 2.528 179.472 176.870 0.123 0.000 1.087 353 L CA 1.762 56.759 54.840 0.261 0.000 0.757 353 L CB -0.606 41.529 42.059 0.126 0.000 0.896 353 L HN 0.350 nan 8.230 nan 0.000 0.434 354 Q N -1.067 118.775 119.800 0.070 0.000 2.170 354 Q HA -0.167 4.171 4.340 -0.004 0.000 0.203 354 Q C 2.183 178.204 176.000 0.034 0.000 0.976 354 Q CA 1.777 57.603 55.803 0.037 0.000 0.858 354 Q CB -0.079 28.667 28.738 0.015 0.000 0.907 354 Q HN 0.591 nan 8.270 nan 0.000 0.433 355 I N -0.178 120.413 120.570 0.034 0.000 2.400 355 I HA -0.205 3.962 4.170 -0.004 0.000 0.248 355 I C 1.786 177.924 176.117 0.035 0.000 1.109 355 I CA 0.655 61.969 61.300 0.024 0.000 1.425 355 I CB -0.041 37.961 38.000 0.004 0.000 1.094 355 I HN 0.115 nan 8.210 nan 0.000 0.425 356 L N 0.200 121.457 121.223 0.056 0.000 2.456 356 L HA -0.112 4.225 4.340 -0.004 0.000 0.224 356 L C 2.180 179.088 176.870 0.063 0.000 1.148 356 L CA 0.856 55.735 54.840 0.065 0.000 0.825 356 L CB -0.377 41.749 42.059 0.112 0.000 0.937 356 L HN 0.143 nan 8.230 nan 0.000 0.450 357 S N -0.893 114.840 115.700 0.056 0.000 2.528 357 S HA 0.217 4.685 4.470 -0.004 0.000 0.219 357 S C 1.448 176.066 174.600 0.030 0.000 0.985 357 S CA 0.703 58.929 58.200 0.042 0.000 0.914 357 S CB 0.640 63.862 63.200 0.037 0.000 0.776 357 S HN 0.602 nan 8.310 nan 0.000 0.526 358 G N 0.873 109.690 108.800 0.028 0.000 2.198 358 G HA2 -0.019 3.938 3.960 -0.004 0.000 0.156 358 G HA3 -0.019 3.938 3.960 -0.004 0.000 0.156 358 G C 0.083 174.995 174.900 0.020 0.000 1.012 358 G CA -0.327 44.787 45.100 0.023 0.000 0.692 358 G HN 0.702 nan 8.290 nan 0.000 0.492 359 A N -0.068 122.764 122.820 0.020 0.000 2.425 359 A HA 0.710 5.027 4.320 -0.004 0.000 0.249 359 A C 1.051 178.647 177.584 0.018 0.000 1.084 359 A CA 0.930 52.977 52.037 0.016 0.000 0.781 359 A CB 0.589 19.596 19.000 0.013 0.000 1.019 359 A HN 0.262 nan 8.150 nan 0.000 0.490 360 Q N 0.257 120.069 119.800 0.020 0.000 2.546 360 Q HA 0.092 4.429 4.340 -0.004 0.000 0.226 360 Q C 0.781 176.799 176.000 0.030 0.000 0.769 360 Q CA 0.943 56.761 55.803 0.025 0.000 0.954 360 Q CB -0.149 28.604 28.738 0.026 0.000 1.319 360 Q HN 0.911 nan 8.270 nan 0.000 0.534 361 S N 0.002 115.718 115.700 0.026 0.000 2.632 361 S HA 0.571 5.038 4.470 -0.004 0.000 0.271 361 S C 1.072 175.687 174.600 0.025 0.000 1.260 361 S CA 0.090 58.309 58.200 0.031 0.000 1.010 361 S CB 1.643 64.859 63.200 0.027 0.000 0.965 361 S HN 0.260 nan 8.310 nan 0.000 0.534 362 A N 1.693 124.533 122.820 0.033 0.000 1.972 362 A HA -0.054 4.263 4.320 -0.004 0.000 0.219 362 A C 2.344 179.923 177.584 -0.008 0.000 1.169 362 A CA 1.819 53.863 52.037 0.012 0.000 0.635 362 A CB -1.583 17.435 19.000 0.030 0.000 0.810 362 A HN 1.324 nan 8.150 nan 0.000 0.446 363 S N -0.239 115.464 115.700 0.006 0.000 2.442 363 S HA -0.128 4.340 4.470 -0.004 0.000 0.236 363 S C 0.913 175.512 174.600 -0.002 0.000 1.007 363 S CA 1.354 59.555 58.200 0.002 0.000 0.965 363 S CB -0.254 62.952 63.200 0.011 0.000 0.773 363 S HN 0.538 nan 8.310 nan 0.000 0.504 364 D N 0.675 121.076 120.400 0.001 0.000 2.379 364 D HA 0.335 4.972 4.640 -0.004 0.000 0.208 364 D C 0.186 176.483 176.300 -0.005 0.000 1.065 364 D CA 0.048 54.048 54.000 0.001 0.000 0.848 364 D CB 0.204 41.009 40.800 0.007 0.000 0.949 364 D HN 0.399 nan 8.370 nan 0.000 0.509 365 L N 0.932 122.148 121.223 -0.012 0.000 2.357 365 L HA 0.411 4.748 4.340 -0.004 0.000 0.273 365 L C -0.089 176.762 176.870 -0.032 0.000 1.080 365 L CA -0.571 54.257 54.840 -0.021 0.000 0.803 365 L CB 1.555 43.600 42.059 -0.023 0.000 1.174 365 L HN -0.301 nan 8.230 nan 0.000 0.443 366 L N 3.760 124.964 121.223 -0.031 0.000 2.342 366 L HA 0.560 4.898 4.340 -0.004 0.000 0.271 366 L C -2.222 174.621 176.870 -0.044 0.000 1.008 366 L CA -1.840 52.979 54.840 -0.034 0.000 0.818 366 L CB 2.211 44.254 42.059 -0.026 0.000 1.296 366 L HN 0.366 nan 8.230 nan 0.000 0.427 367 P HA 0.038 nan 4.420 nan 0.000 0.275 367 P C -0.495 176.783 177.300 -0.036 0.000 1.228 367 P CA -0.283 62.801 63.100 -0.027 0.000 0.786 367 P CB 1.023 32.719 31.700 -0.005 0.000 0.927 368 T N 0.150 114.690 114.554 -0.024 0.000 2.907 368 T HA 0.411 4.758 4.350 -0.004 0.000 0.298 368 T C 1.273 175.952 174.700 -0.036 0.000 1.017 368 T CA 1.048 63.127 62.100 -0.034 0.000 1.118 368 T CB -0.892 67.966 68.868 -0.016 0.000 0.948 368 T HN 0.783 nan 8.240 nan 0.000 0.531 369 G N 2.938 111.690 108.800 -0.081 0.000 2.179 369 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.260 369 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.260 369 G C 0.780 175.576 174.900 -0.174 0.000 0.977 369 G CA 0.602 45.650 45.100 -0.085 0.000 0.641 369 G HN 0.877 nan 8.290 nan 0.000 0.533 370 S N -1.467 114.097 115.700 -0.225 0.000 2.649 370 S HA 0.361 4.828 4.470 -0.004 0.000 0.246 370 S C 0.470 174.885 174.600 -0.307 0.000 1.057 370 S CA 0.508 58.593 58.200 -0.193 0.000 1.051 370 S CB 1.359 64.560 63.200 0.002 0.000 1.018 370 S HN 0.534 nan 8.310 nan 0.000 0.569 371 V N 3.295 123.003 119.914 -0.344 0.000 2.333 371 V HA 0.426 4.543 4.120 -0.004 0.000 0.274 371 V C -1.076 174.837 176.094 -0.300 0.000 1.028 371 V CA -0.588 61.580 62.300 -0.222 0.000 0.851 371 V CB -0.062 31.696 31.823 -0.108 0.000 1.000 371 V HN 0.331 nan 8.190 nan 0.000 0.456 372 Y N 1.985 122.358 120.300 0.123 0.000 2.334 372 Y HA 0.487 5.034 4.550 -0.005 0.000 0.328 372 Y C 1.077 177.129 175.900 0.253 0.000 1.130 372 Y CA -0.534 57.692 58.100 0.210 0.000 1.163 372 Y CB 1.528 40.174 38.460 0.310 0.000 1.207 372 Y HN 0.524 nan 8.280 nan 0.000 0.471 373 T N 4.645 119.395 114.554 0.326 0.000 2.799 373 T HA 0.495 4.842 4.350 -0.004 0.000 0.286 373 T C -0.915 173.917 174.700 0.219 0.000 0.973 373 T CA -0.557 61.681 62.100 0.231 0.000 1.035 373 T CB 0.631 69.586 68.868 0.146 0.000 0.932 373 T HN 0.153 nan 8.240 nan 0.000 0.469 374 L N 5.723 127.059 121.223 0.188 0.000 2.356 374 L HA 0.519 4.857 4.340 -0.004 0.000 0.277 374 L C -2.175 174.745 176.870 0.082 0.000 0.996 374 L CA -2.429 52.472 54.840 0.102 0.000 0.822 374 L CB 1.783 43.881 42.059 0.064 0.000 1.256 374 L HN 0.393 nan 8.230 nan 0.000 0.413 375 P HA 0.221 nan 4.420 nan 0.000 0.276 375 P C -0.028 177.294 177.300 0.036 0.000 1.244 375 P CA -0.525 62.600 63.100 0.040 0.000 0.801 375 P CB 1.367 33.078 31.700 0.018 0.000 1.006 376 L N 1.722 122.978 121.223 0.055 0.000 2.475 376 L HA 0.091 4.429 4.340 -0.004 0.000 0.212 376 L C 1.555 178.444 176.870 0.031 0.000 1.204 376 L CA 0.203 55.083 54.840 0.067 0.000 0.843 376 L CB -0.627 41.483 42.059 0.085 0.000 1.360 376 L HN 0.440 nan 8.230 nan 0.000 0.527 377 N N -0.967 117.759 118.700 0.044 0.000 2.578 377 N HA -0.226 4.511 4.740 -0.004 0.000 0.245 377 N C -0.797 174.704 175.510 -0.016 0.000 1.165 377 N CA 0.973 54.034 53.050 0.019 0.000 0.747 377 N CB -0.438 38.062 38.487 0.022 0.000 1.077 377 N HN 0.597 nan 8.380 nan 0.000 0.556 378 S N -2.292 113.382 115.700 -0.043 0.000 2.593 378 S HA 0.646 5.114 4.470 -0.004 0.000 0.297 378 S C 0.092 174.601 174.600 -0.151 0.000 1.112 378 S CA -0.324 57.826 58.200 -0.082 0.000 1.043 378 S CB 1.854 65.007 63.200 -0.079 0.000 1.054 378 S HN 0.266 nan 8.310 nan 0.000 0.516 379 T N 0.281 114.739 114.554 -0.159 0.000 2.799 379 T HA 0.673 5.021 4.350 -0.004 0.000 0.286 379 T C -0.454 174.073 174.700 -0.290 0.000 0.973 379 T CA -0.581 61.387 62.100 -0.220 0.000 1.035 379 T CB 0.143 68.931 68.868 -0.134 0.000 0.932 379 T HN 0.486 nan 8.240 nan 0.000 0.469 380 I N 2.152 122.430 120.570 -0.486 0.000 2.433 380 I HA 0.398 4.565 4.170 -0.004 0.000 0.292 380 I C 0.051 175.977 176.117 -0.319 0.000 1.001 380 I CA -0.544 60.454 61.300 -0.502 0.000 1.119 380 I CB 1.986 39.495 38.000 -0.818 0.000 1.289 380 I HN 0.788 nan 8.210 nan 0.000 0.438 381 E N 6.950 127.046 120.200 -0.173 0.000 2.155 381 E HA 0.564 4.912 4.350 -0.004 0.000 0.264 381 E C -1.624 174.915 176.600 -0.101 0.000 0.886 381 E CA -0.523 55.833 56.400 -0.074 0.000 0.752 381 E CB 1.011 30.686 29.700 -0.041 0.000 1.133 381 E HN 0.489 nan 8.360 nan 0.000 0.414 382 L N 2.766 123.926 121.223 -0.106 0.000 2.334 382 L HA 0.544 4.882 4.340 -0.004 0.000 0.272 382 L C -0.472 176.134 176.870 -0.440 0.000 1.020 382 L CA -0.686 53.979 54.840 -0.292 0.000 0.812 382 L CB 2.016 43.893 42.059 -0.305 0.000 1.264 382 L HN 0.533 nan 8.230 nan 0.000 0.439 383 S N 0.593 115.919 115.700 -0.624 0.000 2.571 383 S HA 0.648 5.115 4.470 -0.004 0.000 0.284 383 S C -0.958 173.226 174.600 -0.694 0.000 1.128 383 S CA -0.649 57.247 58.200 -0.507 0.000 0.970 383 S CB 0.989 64.055 63.200 -0.224 0.000 1.039 383 S HN 0.322 nan 8.310 nan 0.000 0.485 384 F N 2.643 122.500 119.950 -0.156 0.000 2.371 384 F HA 0.404 4.929 4.527 -0.004 0.000 0.343 384 F C -2.473 173.315 175.800 -0.020 0.000 1.150 384 F CA -2.218 55.691 58.000 -0.152 0.000 1.220 384 F CB 1.189 40.102 39.000 -0.145 0.000 1.475 384 F HN 0.314 nan 8.300 nan 0.000 0.521 385 P HA 0.124 nan 4.420 nan 0.000 0.282 385 P C -0.225 177.205 177.300 0.216 0.000 1.274 385 P CA -0.111 63.032 63.100 0.073 0.000 0.770 385 P CB 1.271 32.961 31.700 -0.016 0.000 0.867 386 I N 4.448 125.166 120.570 0.246 0.000 2.278 386 I HA 0.131 4.298 4.170 -0.004 0.000 0.296 386 I C 1.132 177.349 176.117 0.166 0.000 1.121 386 I CA 0.060 61.516 61.300 0.259 0.000 1.267 386 I CB -0.443 37.700 38.000 0.237 0.000 1.447 386 I HN 0.304 nan 8.210 nan 0.000 0.509 387 T N 0.593 115.241 114.554 0.156 0.000 2.902 387 T HA 0.221 4.568 4.350 -0.004 0.000 0.283 387 T C 0.982 175.741 174.700 0.097 0.000 1.009 387 T CA -0.567 61.597 62.100 0.105 0.000 1.051 387 T CB 2.217 71.135 68.868 0.085 0.000 0.999 387 T HN 0.493 nan 8.240 nan 0.000 0.474 388 T N 1.481 116.079 114.554 0.073 0.000 3.085 388 T HA 0.182 4.530 4.350 -0.004 0.000 0.263 388 T C 0.960 175.693 174.700 0.054 0.000 1.127 388 T CA 0.637 62.774 62.100 0.061 0.000 1.103 388 T CB -1.047 67.851 68.868 0.049 0.000 0.921 388 T HN 0.748 nan 8.240 nan 0.000 0.510 389 V N 1.484 121.431 119.914 0.054 0.000 1.778 389 V HA -0.302 3.815 4.120 -0.004 0.000 0.250 389 V C 1.563 177.678 176.094 0.035 0.000 0.761 389 V CA 0.943 63.270 62.300 0.045 0.000 2.944 389 V CB -1.295 30.559 31.823 0.051 0.000 1.077 389 V HN 0.446 nan 8.190 nan 0.000 0.229 390 N N 1.448 120.165 118.700 0.029 0.000 2.244 390 N HA 0.061 4.798 4.740 -0.004 0.000 0.183 390 N C 1.023 176.546 175.510 0.023 0.000 1.016 390 N CA 2.311 55.375 53.050 0.023 0.000 0.866 390 N CB 0.183 38.682 38.487 0.019 0.000 0.980 390 N HN 1.330 nan 8.380 nan 0.000 0.430 391 G N -1.998 106.817 108.800 0.025 0.000 5.181 391 G HA2 0.126 4.083 3.960 -0.004 0.000 0.208 391 G HA3 0.126 4.083 3.960 -0.004 0.000 0.208 391 G C 0.386 175.303 174.900 0.027 0.000 0.786 391 G CA 0.076 45.191 45.100 0.024 0.000 0.803 391 G HN 0.108 nan 8.290 nan 0.000 0.404 392 V N -0.372 119.562 119.914 0.034 0.000 2.788 392 V HA 0.271 4.388 4.120 -0.004 0.000 0.241 392 V C 1.545 177.667 176.094 0.047 0.000 1.083 392 V CA 1.517 63.840 62.300 0.039 0.000 1.103 392 V CB 0.025 31.873 31.823 0.042 0.000 0.800 392 V HN 0.808 nan 8.190 nan 0.000 0.476 393 T N 3.677 118.265 114.554 0.057 0.000 2.553 393 T HA -0.148 4.199 4.350 -0.004 0.000 0.502 393 T C 0.030 174.782 174.700 0.087 0.000 0.809 393 T CA 0.291 62.434 62.100 0.070 0.000 2.657 393 T CB -1.395 67.507 68.868 0.058 0.000 1.692 393 T HN 0.845 nan 8.240 nan 0.000 0.515 394 N N 3.461 122.234 118.700 0.122 0.000 2.416 394 N HA 0.427 5.164 4.740 -0.004 0.000 0.246 394 N C 0.732 176.344 175.510 0.169 0.000 1.260 394 N CA 0.398 53.547 53.050 0.164 0.000 0.897 394 N CB 0.185 38.808 38.487 0.226 0.000 1.110 394 N HN 1.910 nan 8.380 nan 0.000 0.439 395 A N -1.292 121.605 122.820 0.128 0.000 2.578 395 A HA -0.113 4.204 4.320 -0.004 0.000 0.298 395 A C -2.154 175.483 177.584 0.088 0.000 1.472 395 A CA 0.096 52.163 52.037 0.050 0.000 0.734 395 A CB -2.254 16.732 19.000 -0.022 0.000 1.091 395 A HN 0.826 nan 8.150 nan 0.000 0.426 396 P HA 0.439 nan 4.420 nan 0.000 0.273 396 P C 1.126 178.383 177.300 -0.072 0.000 1.250 396 P CA 1.335 64.371 63.100 -0.108 0.000 0.793 396 P CB 0.637 32.178 31.700 -0.264 0.000 1.011 397 G N -1.373 107.378 108.800 -0.082 0.000 2.159 397 G HA2 -0.082 3.876 3.960 -0.004 0.000 0.227 397 G HA3 -0.082 3.876 3.960 -0.004 0.000 0.227 397 G C 0.422 175.139 174.900 -0.304 0.000 0.986 397 G CA 0.067 45.111 45.100 -0.093 0.000 0.651 397 G HN 0.825 nan 8.290 nan 0.000 0.523 398 A N 0.773 123.454 122.820 -0.232 0.000 2.492 398 A HA 0.579 4.896 4.320 -0.004 0.000 0.236 398 A C -0.739 176.752 177.584 -0.156 0.000 1.078 398 A CA 0.238 52.096 52.037 -0.298 0.000 0.773 398 A CB 0.003 19.024 19.000 0.036 0.000 1.023 398 A HN 0.410 nan 8.150 nan 0.000 0.504 399 P HA 0.286 nan 4.420 nan 0.000 0.278 399 P C -1.042 176.147 177.300 -0.185 0.000 1.238 399 P CA -0.053 63.015 63.100 -0.053 0.000 0.794 399 P CB 0.577 32.338 31.700 0.102 0.000 0.955 400 H N 2.257 121.370 119.070 0.072 0.000 2.541 400 H HA 0.305 4.858 4.556 -0.005 0.000 0.316 400 H C -2.196 173.154 175.328 0.036 0.000 1.043 400 H CA -1.949 54.161 56.048 0.103 0.000 1.232 400 H CB 1.343 31.229 29.762 0.206 0.000 1.406 400 H HN 0.246 nan 8.280 nan 0.000 0.469 401 P HA 0.161 nan 4.420 nan 0.000 0.291 401 P C -0.543 176.771 177.300 0.023 0.000 1.378 401 P CA -0.417 62.691 63.100 0.013 0.000 0.853 401 P CB -0.068 31.657 31.700 0.042 0.000 1.002 402 F N 3.068 122.888 119.950 -0.217 0.000 2.410 402 F HA 0.325 4.849 4.527 -0.005 0.000 0.348 402 F C 1.182 176.929 175.800 -0.087 0.000 1.106 402 F CA 0.297 58.106 58.000 -0.317 0.000 1.163 402 F CB 0.663 39.168 39.000 -0.825 0.000 1.129 402 F HN 0.377 nan 8.300 nan 0.000 0.516 403 H N 4.216 123.203 119.070 -0.138 0.000 2.495 403 H HA 0.540 5.094 4.556 -0.004 0.000 0.348 403 H C -1.710 173.588 175.328 -0.050 0.000 1.113 403 H CA -0.844 55.197 56.048 -0.012 0.000 1.195 403 H CB 1.326 31.104 29.762 0.025 0.000 1.521 403 H HN 0.643 nan 8.280 nan 0.000 0.509 404 L N 6.180 127.153 121.223 -0.417 0.000 2.305 404 L HA 0.329 4.666 4.340 -0.004 0.000 0.284 404 L C -0.399 176.067 176.870 -0.674 0.000 1.013 404 L CA -0.729 53.901 54.840 -0.350 0.000 0.819 404 L CB 0.546 42.546 42.059 -0.098 0.000 1.227 404 L HN 0.781 nan 8.230 nan 0.000 0.417 405 H N 3.673 122.415 119.070 -0.547 0.000 2.764 405 H HA 0.077 4.631 4.556 -0.004 0.000 0.341 405 H C 0.981 175.963 175.328 -0.577 0.000 1.072 405 H CA 0.956 56.779 56.048 -0.375 0.000 1.444 405 H CB 1.288 31.076 29.762 0.044 0.000 1.458 405 H HN 0.957 nan 8.280 nan 0.000 0.572 406 G N 2.636 110.928 108.800 -0.847 0.000 2.155 406 G HA2 -0.223 3.734 3.960 -0.004 0.000 0.257 406 G HA3 -0.223 3.734 3.960 -0.004 0.000 0.257 406 G C -0.067 173.946 174.900 -1.477 0.000 0.983 406 G CA 0.168 44.287 45.100 -1.635 0.000 0.676 406 G HN 0.800 nan 8.290 nan 0.000 0.528 407 H N -0.971 117.597 119.070 -0.837 0.000 2.996 407 H HA 0.638 5.191 4.556 -0.004 0.000 0.368 407 H C -0.189 174.828 175.328 -0.518 0.000 1.185 407 H CA -0.072 55.669 56.048 -0.511 0.000 1.160 407 H CB 1.822 31.400 29.762 -0.307 0.000 1.820 407 H HN 0.656 nan 8.280 nan 0.000 0.547 408 A N 3.014 125.787 122.820 -0.079 0.000 2.271 408 A HA 0.573 4.891 4.320 -0.004 0.000 0.317 408 A C -0.718 176.917 177.584 0.084 0.000 1.245 408 A CA -0.629 51.355 52.037 -0.087 0.000 0.857 408 A CB -0.327 18.762 19.000 0.147 0.000 1.175 408 A HN 0.438 nan 8.150 nan 0.000 0.512 409 F N 0.759 120.780 119.950 0.119 0.000 2.470 409 F HA 0.751 5.275 4.527 -0.004 0.000 0.329 409 F C 0.256 176.166 175.800 0.184 0.000 1.072 409 F CA -1.243 56.866 58.000 0.181 0.000 0.989 409 F CB 1.105 40.182 39.000 0.128 0.000 1.193 409 F HN 0.267 nan 8.300 nan 0.000 0.481 410 S N 1.347 117.306 115.700 0.432 0.000 2.465 410 S HA 0.370 4.837 4.470 -0.004 0.000 0.279 410 S C -0.272 174.560 174.600 0.387 0.000 1.201 410 S CA -0.747 57.649 58.200 0.327 0.000 1.053 410 S CB 1.012 64.364 63.200 0.254 0.000 0.953 410 S HN 0.519 nan 8.310 nan 0.000 0.488 411 V N 5.652 125.772 119.914 0.344 0.000 2.313 411 V HA 0.027 4.145 4.120 -0.004 0.000 0.252 411 V C 1.447 177.627 176.094 0.144 0.000 1.112 411 V CA -0.161 62.307 62.300 0.280 0.000 0.984 411 V CB -0.126 31.859 31.823 0.270 0.000 1.157 411 V HN 0.896 nan 8.190 nan 0.000 0.493 412 V N 1.783 121.766 119.914 0.115 0.000 2.548 412 V HA 0.110 4.227 4.120 -0.004 0.000 0.249 412 V C 1.111 177.132 176.094 -0.122 0.000 1.055 412 V CA 1.026 63.325 62.300 -0.003 0.000 1.065 412 V CB -0.302 31.527 31.823 0.010 0.000 0.681 412 V HN 0.648 nan 8.190 nan 0.000 0.462 413 R N 0.793 121.217 120.500 -0.126 0.000 2.451 413 R HA 0.526 4.863 4.340 -0.004 0.000 0.307 413 R C -0.894 175.325 176.300 -0.136 0.000 0.965 413 R CA -0.041 55.879 56.100 -0.300 0.000 0.865 413 R CB 2.012 31.908 30.300 -0.674 0.000 1.174 413 R HN 0.500 nan 8.270 nan 0.000 0.455 414 S N 1.446 117.084 115.700 -0.103 0.000 2.693 414 S HA 0.535 5.002 4.470 -0.004 0.000 0.276 414 S C -0.129 174.445 174.600 -0.043 0.000 1.192 414 S CA -0.564 57.615 58.200 -0.036 0.000 0.994 414 S CB 1.496 64.696 63.200 -0.000 0.000 1.012 414 S HN 0.709 nan 8.310 nan 0.000 0.550 415 A N 0.218 123.024 122.820 -0.022 0.000 2.462 415 A HA 0.523 4.840 4.320 -0.004 0.000 0.243 415 A C 1.428 179.014 177.584 0.004 0.000 1.076 415 A CA 0.277 52.306 52.037 -0.013 0.000 0.773 415 A CB -1.027 17.956 19.000 -0.029 0.000 1.010 415 A HN 1.754 nan 8.150 nan 0.000 0.493 416 G N -0.008 108.798 108.800 0.009 0.000 2.199 416 G HA2 -0.124 3.833 3.960 -0.004 0.000 0.254 416 G HA3 -0.124 3.833 3.960 -0.004 0.000 0.254 416 G C 0.446 175.347 174.900 0.001 0.000 0.982 416 G CA 0.920 46.030 45.100 0.017 0.000 0.632 416 G HN 2.010 nan 8.290 nan 0.000 0.529 417 S N -1.028 114.657 115.700 -0.024 0.000 2.599 417 S HA 0.754 5.222 4.470 -0.004 0.000 0.287 417 S C 0.997 175.546 174.600 -0.085 0.000 1.105 417 S CA 0.810 58.985 58.200 -0.042 0.000 0.899 417 S CB 1.833 65.005 63.200 -0.046 0.000 1.100 417 S HN 1.152 nan 8.310 nan 0.000 0.482 418 S N 1.086 116.739 115.700 -0.078 0.000 2.578 418 S HA 0.298 4.765 4.470 -0.004 0.000 0.228 418 S C -0.290 174.221 174.600 -0.148 0.000 1.022 418 S CA -0.383 57.750 58.200 -0.111 0.000 0.967 418 S CB -0.253 62.938 63.200 -0.014 0.000 0.914 418 S HN 0.676 nan 8.310 nan 0.000 0.515 419 D N 2.021 122.363 120.400 -0.096 0.000 2.414 419 D HA 0.274 4.912 4.640 -0.004 0.000 0.242 419 D C -0.839 175.329 176.300 -0.219 0.000 1.129 419 D CA 0.440 54.412 54.000 -0.047 0.000 0.885 419 D CB 0.223 41.021 40.800 -0.004 0.000 1.198 419 D HN 0.285 nan 8.370 nan 0.000 0.437 420 Y N 1.072 121.312 120.300 -0.099 0.000 2.342 420 Y HA 0.272 4.820 4.550 -0.004 0.000 0.334 420 Y C 0.716 176.405 175.900 -0.352 0.000 1.067 420 Y CA -0.720 57.216 58.100 -0.274 0.000 1.128 420 Y CB 1.071 39.333 38.460 -0.329 0.000 1.200 420 Y HN 0.169 nan 8.280 nan 0.000 0.464 421 N N 2.273 120.794 118.700 -0.299 0.000 2.442 421 N HA 0.203 4.940 4.740 -0.004 0.000 0.274 421 N C -1.133 174.232 175.510 -0.242 0.000 1.002 421 N CA -0.547 52.392 53.050 -0.186 0.000 0.910 421 N CB 0.527 38.983 38.487 -0.053 0.000 1.244 421 N HN 0.519 nan 8.380 nan 0.000 0.492 422 Y N 1.484 121.852 120.300 0.113 0.000 2.426 422 Y HA 0.092 4.639 4.550 -0.005 0.000 0.249 422 Y C 1.908 177.852 175.900 0.074 0.000 1.103 422 Y CA -0.000 58.157 58.100 0.095 0.000 1.256 422 Y CB 0.196 38.702 38.460 0.076 0.000 1.208 422 Y HN 0.460 nan 8.280 nan 0.000 0.519 423 V N -0.476 119.557 119.914 0.198 0.000 2.446 423 V HA -0.025 4.092 4.120 -0.004 0.000 0.244 423 V C 0.464 176.620 176.094 0.103 0.000 1.039 423 V CA 1.726 64.106 62.300 0.134 0.000 1.045 423 V CB -0.461 31.427 31.823 0.108 0.000 0.681 423 V HN 0.537 nan 8.190 nan 0.000 0.459 424 N N -0.805 117.951 118.700 0.094 0.000 2.620 424 N HA 0.296 5.034 4.740 -0.004 0.000 0.277 424 N C -2.995 172.567 175.510 0.087 0.000 1.726 424 N CA -1.264 51.834 53.050 0.079 0.000 0.840 424 N CB 0.321 38.846 38.487 0.064 0.000 1.379 424 N HN 0.361 nan 8.380 nan 0.000 0.506 425 P HA 0.054 nan 4.420 nan 0.000 0.274 425 P C 0.263 177.659 177.300 0.160 0.000 1.237 425 P CA -0.335 62.832 63.100 0.110 0.000 0.793 425 P CB 1.392 33.154 31.700 0.102 0.000 0.977 426 V N 2.644 122.674 119.914 0.193 0.000 2.872 426 V HA 0.062 4.179 4.120 -0.004 0.000 0.307 426 V C 0.530 176.787 176.094 0.271 0.000 1.072 426 V CA 0.072 62.553 62.300 0.303 0.000 1.148 426 V CB -0.155 31.787 31.823 0.197 0.000 0.954 426 V HN 0.546 nan 8.190 nan 0.000 0.490 427 R N 6.738 127.458 120.500 0.366 0.000 2.337 427 R HA 0.627 4.964 4.340 -0.004 0.000 0.319 427 R C -0.340 175.970 176.300 0.016 0.000 0.954 427 R CA -0.681 55.529 56.100 0.183 0.000 0.840 427 R CB 0.744 31.164 30.300 0.201 0.000 1.164 427 R HN 0.988 nan 8.270 nan 0.000 0.472 428 R N 1.207 121.545 120.500 -0.270 0.000 2.766 428 R HA 0.270 4.608 4.340 -0.004 0.000 0.270 428 R C -0.892 174.851 176.300 -0.929 0.000 1.035 428 R CA -0.717 55.142 56.100 -0.402 0.000 0.911 428 R CB 0.636 30.779 30.300 -0.261 0.000 1.243 428 R HN 0.500 nan 8.270 nan 0.000 0.460 429 D N -1.129 118.972 120.400 -0.499 0.000 2.407 429 D HA 0.057 4.694 4.640 -0.004 0.000 0.208 429 D C -0.109 176.329 176.300 0.229 0.000 1.083 429 D CA 0.089 53.905 54.000 -0.307 0.000 0.844 429 D CB 0.901 41.678 40.800 -0.038 0.000 0.967 429 D HN 0.515 nan 8.370 nan 0.000 0.506 430 T N -0.701 113.968 114.554 0.191 0.000 3.172 430 T HA 0.476 4.824 4.350 -0.004 0.000 0.320 430 T C -1.805 173.053 174.700 0.264 0.000 1.085 430 T CA -0.755 61.572 62.100 0.378 0.000 1.052 430 T CB 1.477 70.530 68.868 0.309 0.000 1.107 430 T HN -0.040 nan 8.240 nan 0.000 0.458 431 V N 4.172 124.265 119.914 0.299 0.000 2.680 431 V HA 0.799 4.916 4.120 -0.004 0.000 0.309 431 V C 0.213 176.249 176.094 -0.096 0.000 1.052 431 V CA -0.537 61.834 62.300 0.118 0.000 0.908 431 V CB 2.162 34.132 31.823 0.245 0.000 1.001 431 V HN 1.087 nan 8.190 nan 0.000 0.431 432 S N 3.059 118.546 115.700 -0.354 0.000 2.510 432 S HA 0.102 4.569 4.470 -0.004 0.000 0.279 432 S C 1.376 175.811 174.600 -0.275 0.000 1.284 432 S CA 0.316 58.165 58.200 -0.586 0.000 1.059 432 S CB 0.915 63.200 63.200 -1.525 0.000 0.901 432 S HN 1.186 nan 8.310 nan 0.000 0.491 433 T N 2.735 117.203 114.554 -0.144 0.000 3.118 433 T HA 0.385 4.733 4.350 -0.004 0.000 0.260 433 T C 1.352 176.065 174.700 0.022 0.000 1.139 433 T CA 0.544 62.626 62.100 -0.031 0.000 1.085 433 T CB -1.024 67.861 68.868 0.028 0.000 0.934 433 T HN 1.546 nan 8.240 nan 0.000 0.518 434 G N 1.652 110.434 108.800 -0.030 0.000 2.553 434 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.242 434 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.242 434 G C -0.707 174.239 174.900 0.076 0.000 1.277 434 G CA -0.248 44.863 45.100 0.017 0.000 0.910 434 G HN 0.625 nan 8.290 nan 0.000 0.576 435 N N 1.205 119.950 118.700 0.075 0.000 2.459 435 N HA 0.552 5.290 4.740 -0.004 0.000 0.288 435 N C -2.788 172.774 175.510 0.086 0.000 1.186 435 N CA -1.216 51.883 53.050 0.082 0.000 0.917 435 N CB 1.585 40.112 38.487 0.066 0.000 1.219 435 N HN 0.248 nan 8.380 nan 0.000 0.525 436 P HA -0.035 nan 4.420 nan 0.000 0.263 436 P C 0.732 178.072 177.300 0.068 0.000 1.168 436 P CA 1.100 64.252 63.100 0.086 0.000 0.759 436 P CB 0.169 31.913 31.700 0.073 0.000 0.782 437 G N 1.497 110.338 108.800 0.067 0.000 2.175 437 G HA2 -0.173 3.784 3.960 -0.004 0.000 0.244 437 G HA3 -0.173 3.784 3.960 -0.004 0.000 0.244 437 G C -0.301 174.626 174.900 0.046 0.000 0.982 437 G CA -0.311 44.821 45.100 0.052 0.000 0.641 437 G HN 0.533 nan 8.290 nan 0.000 0.527 438 D N 0.552 120.986 120.400 0.057 0.000 2.280 438 D HA 0.375 5.012 4.640 -0.004 0.000 0.236 438 D C 0.042 176.375 176.300 0.055 0.000 1.082 438 D CA -0.451 53.574 54.000 0.041 0.000 0.834 438 D CB 1.103 41.929 40.800 0.044 0.000 1.100 438 D HN 0.083 nan 8.370 nan 0.000 0.486 439 N N 2.437 121.153 118.700 0.027 0.000 2.714 439 N HA 0.021 4.759 4.740 -0.004 0.000 0.298 439 N C -0.648 174.875 175.510 0.022 0.000 1.298 439 N CA -0.358 52.713 53.050 0.036 0.000 1.007 439 N CB 0.076 38.590 38.487 0.045 0.000 1.318 439 N HN 0.109 nan 8.380 nan 0.000 0.516 440 V N 1.391 121.334 119.914 0.048 0.000 2.795 440 V HA -0.146 3.971 4.120 -0.004 0.000 0.298 440 V C 0.524 176.679 176.094 0.102 0.000 1.107 440 V CA 0.887 63.228 62.300 0.068 0.000 1.270 440 V CB -0.663 31.223 31.823 0.106 0.000 0.831 440 V HN 0.316 nan 8.190 nan 0.000 0.473 441 T N 7.037 121.619 114.554 0.047 0.000 2.824 441 T HA 0.732 5.080 4.350 -0.004 0.000 0.282 441 T C -0.218 174.532 174.700 0.084 0.000 0.993 441 T CA -0.347 61.782 62.100 0.049 0.000 0.967 441 T CB 1.430 70.385 68.868 0.145 0.000 0.960 441 T HN 0.681 nan 8.240 nan 0.000 0.441 442 I N -0.042 120.561 120.570 0.056 0.000 2.785 442 I HA 0.823 4.990 4.170 -0.004 0.000 0.302 442 I C -0.885 175.322 176.117 0.151 0.000 1.069 442 I CA -1.286 60.079 61.300 0.107 0.000 1.045 442 I CB 2.253 40.200 38.000 -0.087 0.000 1.236 442 I HN 0.363 nan 8.210 nan 0.000 0.429 443 R N 3.923 124.580 120.500 0.262 0.000 2.686 443 R HA 0.749 5.086 4.340 -0.004 0.000 0.283 443 R C -1.740 174.795 176.300 0.392 0.000 0.978 443 R CA -0.652 55.596 56.100 0.248 0.000 0.897 443 R CB 2.530 32.942 30.300 0.188 0.000 1.192 443 R HN 0.753 nan 8.270 nan 0.000 0.457 444 F N -1.980 118.005 119.950 0.058 0.000 2.678 444 F HA 0.452 4.976 4.527 -0.005 0.000 0.308 444 F C -0.926 174.864 175.800 -0.017 0.000 1.118 444 F CA -0.973 57.068 58.000 0.068 0.000 0.959 444 F CB 1.627 40.672 39.000 0.076 0.000 1.305 444 F HN 0.308 nan 8.300 nan 0.000 0.443 445 T N 0.800 115.334 114.554 -0.033 0.000 2.907 445 T HA 0.511 4.858 4.350 -0.004 0.000 0.284 445 T C -0.083 174.589 174.700 -0.046 0.000 1.004 445 T CA -0.022 62.002 62.100 -0.127 0.000 1.063 445 T CB 0.756 69.637 68.868 0.021 0.000 0.992 445 T HN 0.994 nan 8.240 nan 0.000 0.483 446 T N 2.065 116.560 114.554 -0.099 0.000 3.176 446 T HA 0.269 4.616 4.350 -0.004 0.000 0.301 446 T C 0.342 175.184 174.700 0.238 0.000 1.115 446 T CA -0.774 61.371 62.100 0.076 0.000 1.027 446 T CB -0.187 68.679 68.868 -0.002 0.000 1.063 446 T HN 0.708 nan 8.240 nan 0.000 0.669 447 D N 1.370 122.019 120.400 0.416 0.000 2.538 447 D HA 0.098 4.735 4.640 -0.004 0.000 0.231 447 D C -0.164 176.389 176.300 0.423 0.000 1.229 447 D CA -0.536 53.661 54.000 0.327 0.000 0.828 447 D CB 0.161 41.118 40.800 0.263 0.000 1.035 447 D HN 0.396 nan 8.370 nan 0.000 0.495 448 N N 0.784 119.770 118.700 0.477 0.000 2.500 448 N HA 0.425 5.162 4.740 -0.004 0.000 0.291 448 N C -1.400 174.432 175.510 0.538 0.000 1.092 448 N CA -0.349 52.969 53.050 0.446 0.000 0.890 448 N CB 2.072 40.599 38.487 0.067 0.000 1.466 448 N HN 0.136 nan 8.380 nan 0.000 0.507 449 A N 1.592 124.652 122.820 0.399 0.000 2.354 449 A HA 0.806 5.124 4.320 -0.004 0.000 0.269 449 A C 0.840 178.533 177.584 0.182 0.000 1.109 449 A CA 0.643 52.845 52.037 0.276 0.000 0.800 449 A CB -0.057 19.052 19.000 0.182 0.000 1.045 449 A HN 1.089 nan 8.150 nan 0.000 0.489 450 G N 1.293 110.100 108.800 0.012 0.000 2.408 450 G HA2 0.182 4.139 3.960 -0.004 0.000 0.682 450 G HA3 0.182 4.139 3.960 -0.004 0.000 0.682 450 G C -3.499 171.078 174.900 -0.539 0.000 1.303 450 G CA -0.435 44.480 45.100 -0.309 0.000 0.966 450 G HN 0.760 nan 8.290 nan 0.000 0.560 451 P HA 0.516 nan 4.420 nan 0.000 0.286 451 P C -1.074 175.800 177.300 -0.711 0.000 1.269 451 P CA -0.105 62.712 63.100 -0.472 0.000 0.787 451 P CB 0.463 31.972 31.700 -0.318 0.000 0.920 452 W N 2.464 123.840 121.300 0.127 0.000 2.844 452 W HA 0.434 5.091 4.660 -0.004 0.000 0.340 452 W C -0.481 176.120 176.519 0.137 0.000 1.093 452 W CA -0.835 56.588 57.345 0.131 0.000 1.212 452 W CB 1.354 30.975 29.460 0.269 0.000 1.422 452 W HN 0.195 nan 8.180 nan 0.000 0.515 453 F N 3.403 123.418 119.950 0.109 0.000 2.396 453 F HA 0.534 5.058 4.527 -0.005 0.000 0.343 453 F C -0.426 175.412 175.800 0.063 0.000 1.104 453 F CA -1.608 56.355 58.000 -0.063 0.000 1.161 453 F CB 0.895 39.631 39.000 -0.441 0.000 1.146 453 F HN 0.084 nan 8.300 nan 0.000 0.522 454 L N 6.810 128.189 121.223 0.260 0.000 2.372 454 L HA 0.461 4.798 4.340 -0.004 0.000 0.274 454 L C -1.454 175.352 176.870 -0.107 0.000 0.988 454 L CA -0.181 54.686 54.840 0.046 0.000 0.833 454 L CB 0.951 43.087 42.059 0.128 0.000 1.236 454 L HN 0.746 nan 8.230 nan 0.000 0.410 455 H N 1.681 120.543 119.070 -0.347 0.000 3.016 455 H HA 0.497 5.050 4.556 -0.005 0.000 0.362 455 H C -0.753 173.954 175.328 -1.036 0.000 1.233 455 H CA -1.066 54.564 56.048 -0.696 0.000 1.124 455 H CB 0.772 30.076 29.762 -0.764 0.000 1.850 455 H HN 0.722 nan 8.280 nan 0.000 0.549 456 C N 2.546 121.075 119.300 -1.285 0.000 2.653 456 C HA 0.058 4.515 4.460 -0.004 0.000 0.421 456 C C 1.447 176.324 174.990 -0.188 0.000 1.334 456 C CA 0.012 58.414 59.018 -1.028 0.000 1.885 456 C CB -0.820 26.510 27.740 -0.683 0.000 2.645 456 C HN 1.028 nan 8.230 nan 0.000 0.601 457 H N 3.752 122.758 119.070 -0.106 0.000 2.539 457 H HA 0.252 4.805 4.556 -0.004 0.000 0.267 457 H C 0.622 175.955 175.328 0.008 0.000 0.982 457 H CA 0.378 56.477 56.048 0.085 0.000 1.146 457 H CB 0.027 29.848 29.762 0.099 0.000 1.382 457 H HN 0.695 nan 8.280 nan 0.000 0.577 458 I N 1.945 122.541 120.570 0.042 0.000 2.576 458 I HA -0.125 4.042 4.170 -0.004 0.000 0.288 458 I C 1.572 177.556 176.117 -0.222 0.000 1.126 458 I CA 0.069 61.289 61.300 -0.133 0.000 1.362 458 I CB 0.516 38.283 38.000 -0.388 0.000 1.419 458 I HN 0.026 nan 8.210 nan 0.000 0.533 459 D N 5.165 125.374 120.400 -0.317 0.000 2.182 459 D HA -0.215 4.422 4.640 -0.004 0.000 0.201 459 D C 1.757 177.786 176.300 -0.451 0.000 0.986 459 D CA 1.838 55.552 54.000 -0.477 0.000 0.847 459 D CB 0.111 40.421 40.800 -0.817 0.000 0.942 459 D HN 0.481 nan 8.370 nan 0.000 0.467 460 F N -0.435 119.427 119.950 -0.145 0.000 2.365 460 F HA 0.011 4.535 4.527 -0.004 0.000 0.300 460 F C 2.339 178.333 175.800 0.322 0.000 1.090 460 F CA 0.908 58.912 58.000 0.006 0.000 1.408 460 F CB -0.656 38.367 39.000 0.038 0.000 1.060 460 F HN 0.253 nan 8.300 nan 0.000 0.534 461 H N -0.965 118.267 119.070 0.269 0.000 2.415 461 H HA 0.002 4.555 4.556 -0.004 0.000 0.297 461 H C 2.341 177.736 175.328 0.112 0.000 1.048 461 H CA 0.440 56.602 56.048 0.188 0.000 1.365 461 H CB -0.010 29.682 29.762 -0.117 0.000 1.421 461 H HN 0.188 nan 8.280 nan 0.000 0.533 462 L N 1.060 122.332 121.223 0.081 0.000 2.042 462 L HA -0.194 4.143 4.340 -0.004 0.000 0.210 462 L C 2.331 179.206 176.870 0.010 0.000 1.076 462 L CA 1.345 56.132 54.840 -0.087 0.000 0.749 462 L CB -0.080 41.772 42.059 -0.345 0.000 0.893 462 L HN 0.350 nan 8.230 nan 0.000 0.432 463 E N -0.418 119.807 120.200 0.041 0.000 2.338 463 E HA -0.143 4.204 4.350 -0.004 0.000 0.197 463 E C 1.815 178.491 176.600 0.128 0.000 1.007 463 E CA 0.932 57.366 56.400 0.057 0.000 0.849 463 E CB 0.160 29.871 29.700 0.017 0.000 0.774 463 E HN 0.538 nan 8.360 nan 0.000 0.506 464 A N -0.280 122.701 122.820 0.269 0.000 2.218 464 A HA 0.239 4.556 4.320 -0.004 0.000 0.209 464 A C 1.501 179.230 177.584 0.242 0.000 1.168 464 A CA 0.958 53.206 52.037 0.352 0.000 0.804 464 A CB 0.032 19.516 19.000 0.807 0.000 0.834 464 A HN 0.242 nan 8.150 nan 0.000 0.482 465 G N -1.777 107.148 108.800 0.208 0.000 2.140 465 G HA2 -0.218 3.739 3.960 -0.004 0.000 0.211 465 G HA3 -0.218 3.739 3.960 -0.004 0.000 0.211 465 G C -0.071 174.992 174.900 0.272 0.000 1.013 465 G CA 0.027 45.231 45.100 0.172 0.000 0.705 465 G HN 0.518 nan 8.290 nan 0.000 0.508 466 F N 1.794 121.775 119.950 0.053 0.000 2.661 466 F HA 0.642 5.166 4.527 -0.004 0.000 0.356 466 F C 0.582 176.366 175.800 -0.027 0.000 1.244 466 F CA -0.696 57.298 58.000 -0.010 0.000 1.290 466 F CB -0.370 38.429 39.000 -0.335 0.000 1.677 466 F HN 0.813 nan 8.300 nan 0.000 0.649 467 A N 5.067 127.982 122.820 0.159 0.000 2.605 467 A HA 0.752 5.069 4.320 -0.004 0.000 0.294 467 A C -1.279 176.450 177.584 0.241 0.000 1.062 467 A CA -0.631 51.460 52.037 0.089 0.000 0.682 467 A CB 1.251 20.238 19.000 -0.021 0.000 1.278 467 A HN 0.501 nan 8.150 nan 0.000 0.410 468 I N -1.669 119.041 120.570 0.232 0.000 3.095 468 I HA 0.895 5.062 4.170 -0.004 0.000 0.310 468 I C -1.316 174.884 176.117 0.139 0.000 1.196 468 I CA -1.311 60.106 61.300 0.194 0.000 0.985 468 I CB 2.100 40.214 38.000 0.190 0.000 1.250 468 I HN 0.346 nan 8.210 nan 0.000 0.446 469 V N 2.860 122.786 119.914 0.020 0.000 2.555 469 V HA 0.450 4.567 4.120 -0.004 0.000 0.302 469 V C -0.978 175.096 176.094 -0.033 0.000 1.038 469 V CA -0.319 61.969 62.300 -0.019 0.000 0.887 469 V CB 1.697 33.462 31.823 -0.096 0.000 0.991 469 V HN 0.465 nan 8.190 nan 0.000 0.434 470 F N 3.081 123.194 119.950 0.271 0.000 2.334 470 F HA 0.583 5.107 4.527 -0.005 0.000 0.367 470 F C 0.774 176.693 175.800 0.198 0.000 1.115 470 F CA -0.916 57.259 58.000 0.292 0.000 1.116 470 F CB 1.222 40.453 39.000 0.385 0.000 1.230 470 F HN 0.525 nan 8.300 nan 0.000 0.484 471 A N 3.595 126.605 122.820 0.317 0.000 2.805 471 A HA 0.190 4.507 4.320 -0.004 0.000 0.301 471 A C 0.399 178.110 177.584 0.212 0.000 1.557 471 A CA -0.380 51.758 52.037 0.169 0.000 1.254 471 A CB -0.606 18.453 19.000 0.099 0.000 1.114 471 A HN 0.734 nan 8.150 nan 0.000 0.553 472 E N 2.682 123.030 120.200 0.246 0.000 2.105 472 E HA 0.238 4.586 4.350 -0.004 0.000 0.285 472 E C -0.703 176.014 176.600 0.195 0.000 1.055 472 E CA -0.264 56.306 56.400 0.284 0.000 0.843 472 E CB 0.230 30.230 29.700 0.499 0.000 1.067 472 E HN 0.635 nan 8.360 nan 0.000 0.398 473 D N 3.317 123.807 120.400 0.150 0.000 3.133 473 D HA -0.183 4.454 4.640 -0.004 0.000 0.239 473 D C 0.594 176.945 176.300 0.085 0.000 1.136 473 D CA 1.184 55.252 54.000 0.113 0.000 0.898 473 D CB -0.963 39.914 40.800 0.128 0.000 0.959 473 D HN 0.551 nan 8.370 nan 0.000 0.415 474 T N 0.500 115.098 114.554 0.072 0.000 2.788 474 T HA -0.016 4.331 4.350 -0.004 0.000 0.268 474 T C -0.910 173.814 174.700 0.040 0.000 1.044 474 T CA 1.723 63.852 62.100 0.049 0.000 1.139 474 T CB -0.173 68.724 68.868 0.048 0.000 0.867 474 T HN 0.296 nan 8.240 nan 0.000 0.454 475 P HA 0.029 nan 4.420 nan 0.000 0.217 475 P C 0.762 178.084 177.300 0.037 0.000 1.150 475 P CA 1.057 64.179 63.100 0.037 0.000 0.832 475 P CB -0.074 31.648 31.700 0.037 0.000 0.787 476 D N -2.321 118.106 120.400 0.046 0.000 2.339 476 D HA 0.026 4.664 4.640 -0.004 0.000 0.217 476 D C 1.481 177.807 176.300 0.043 0.000 1.050 476 D CA 0.554 54.582 54.000 0.047 0.000 0.856 476 D CB -0.509 40.327 40.800 0.060 0.000 0.922 476 D HN 0.096 nan 8.370 nan 0.000 0.518 477 T N 0.787 115.360 114.554 0.032 0.000 2.684 477 T HA -0.171 4.176 4.350 -0.004 0.000 0.267 477 T C 2.092 176.791 174.700 -0.000 0.000 1.036 477 T CA 1.594 63.699 62.100 0.008 0.000 1.148 477 T CB -0.097 68.762 68.868 -0.015 0.000 0.863 477 T HN 0.237 nan 8.240 nan 0.000 0.436 478 A N 1.910 124.733 122.820 0.005 0.000 1.865 478 A HA -0.168 4.149 4.320 -0.004 0.000 0.217 478 A C 2.612 180.199 177.584 0.004 0.000 1.191 478 A CA 2.661 54.699 52.037 0.002 0.000 0.623 478 A CB -1.063 17.944 19.000 0.012 0.000 0.826 478 A HN 0.632 nan 8.150 nan 0.000 0.444 479 S N -0.534 115.176 115.700 0.017 0.000 2.335 479 S HA -0.098 4.369 4.470 -0.004 0.000 0.217 479 S C 1.685 176.304 174.600 0.032 0.000 1.032 479 S CA 1.289 59.502 58.200 0.022 0.000 0.985 479 S CB -1.200 62.016 63.200 0.025 0.000 0.896 479 S HN 0.313 nan 8.310 nan 0.000 0.445 480 V N 2.790 122.731 119.914 0.046 0.000 2.660 480 V HA -0.135 3.982 4.120 -0.004 0.000 0.257 480 V C 0.113 176.254 176.094 0.079 0.000 1.088 480 V CA 1.628 63.969 62.300 0.069 0.000 1.106 480 V CB -1.528 30.348 31.823 0.089 0.000 0.686 480 V HN 0.545 nan 8.190 nan 0.000 0.481 481 N N 0.274 119.006 118.700 0.053 0.000 2.800 481 N HA 0.347 5.084 4.740 -0.004 0.000 0.240 481 N C -3.002 172.525 175.510 0.028 0.000 1.096 481 N CA -1.180 51.909 53.050 0.065 0.000 0.877 481 N CB 1.297 39.797 38.487 0.021 0.000 1.138 481 N HN 0.215 nan 8.380 nan 0.000 0.509 482 P HA 0.035 nan 4.420 nan 0.000 0.276 482 P C -0.478 176.721 177.300 -0.169 0.000 1.253 482 P CA -0.460 62.621 63.100 -0.031 0.000 0.766 482 P CB 0.782 32.484 31.700 0.004 0.000 0.845 483 V N 3.144 122.889 119.914 -0.283 0.000 2.383 483 V HA 0.505 4.622 4.120 -0.004 0.000 0.275 483 V C -1.790 174.049 176.094 -0.425 0.000 1.036 483 V CA -2.209 59.758 62.300 -0.556 0.000 0.889 483 V CB 0.565 32.117 31.823 -0.452 0.000 0.985 483 V HN 0.430 nan 8.190 nan 0.000 0.459 484 P HA 0.138 nan 4.420 nan 0.000 0.272 484 P C 0.848 178.058 177.300 -0.150 0.000 1.240 484 P CA -0.086 62.769 63.100 -0.408 0.000 0.791 484 P CB 1.058 32.378 31.700 -0.633 0.000 0.978 485 T N 0.127 114.629 114.554 -0.086 0.000 2.777 485 T HA -0.108 4.239 4.350 -0.004 0.000 0.266 485 T C 1.825 176.551 174.700 0.044 0.000 1.040 485 T CA 1.643 63.739 62.100 -0.007 0.000 1.141 485 T CB -0.710 68.147 68.868 -0.019 0.000 0.868 485 T HN 0.455 nan 8.240 nan 0.000 0.444 486 A N 0.252 123.094 122.820 0.036 0.000 1.892 486 A HA -0.137 4.180 4.320 -0.004 0.000 0.218 486 A C 2.073 179.862 177.584 0.341 0.000 1.188 486 A CA 1.957 54.085 52.037 0.152 0.000 0.631 486 A CB -1.420 17.617 19.000 0.062 0.000 0.822 486 A HN 0.833 nan 8.150 nan 0.000 0.447 487 W N 1.812 123.242 121.300 0.217 0.000 2.342 487 W HA -0.241 4.417 4.660 -0.005 0.000 0.297 487 W C 2.451 178.974 176.519 0.007 0.000 1.213 487 W CA 2.607 60.054 57.345 0.170 0.000 1.251 487 W CB -0.123 29.379 29.460 0.071 0.000 1.136 487 W HN 0.416 nan 8.180 nan 0.000 0.526 488 S N -1.157 114.602 115.700 0.098 0.000 2.496 488 S HA -0.086 4.381 4.470 -0.004 0.000 0.224 488 S C 1.187 175.695 174.600 -0.153 0.000 0.996 488 S CA 1.034 59.171 58.200 -0.105 0.000 0.927 488 S CB -0.343 62.925 63.200 0.114 0.000 0.774 488 S HN 0.152 nan 8.310 nan 0.000 0.524 489 D N 1.306 121.662 120.400 -0.074 0.000 2.317 489 D HA 0.109 4.746 4.640 -0.004 0.000 0.211 489 D C 1.541 177.779 176.300 -0.103 0.000 0.966 489 D CA 0.209 54.175 54.000 -0.058 0.000 0.876 489 D CB -0.174 40.628 40.800 0.003 0.000 0.927 489 D HN 0.220 nan 8.370 nan 0.000 0.519 490 L N 0.307 121.404 121.223 -0.209 0.000 2.027 490 L HA -0.125 4.212 4.340 -0.004 0.000 0.206 490 L C 2.393 179.142 176.870 -0.200 0.000 1.074 490 L CA 1.096 55.784 54.840 -0.254 0.000 0.745 490 L CB -0.949 40.826 42.059 -0.474 0.000 0.898 490 L HN 0.142 nan 8.230 nan 0.000 0.433 491 c N 0.193 118.634 118.600 -0.265 0.000 2.466 491 c HA -0.038 4.530 4.570 -0.004 0.000 0.278 491 c C 0.180 174.258 174.090 -0.020 0.000 1.288 491 c CA 0.541 56.786 56.329 -0.140 0.000 1.722 491 c CB -1.494 40.896 42.510 -0.199 0.000 2.017 491 c HN 0.416 nan 8.230 nan 0.000 0.488 492 P HA -0.102 nan 4.420 nan 0.000 0.219 492 P C 1.421 178.724 177.300 0.005 0.000 1.150 492 P CA 1.771 64.863 63.100 -0.014 0.000 0.814 492 P CB -0.331 31.352 31.700 -0.027 0.000 0.787 493 T N -2.224 112.331 114.554 0.003 0.000 3.023 493 T HA -0.115 4.232 4.350 -0.004 0.000 0.266 493 T C 1.602 176.332 174.700 0.050 0.000 1.093 493 T CA 0.524 62.634 62.100 0.018 0.000 1.129 493 T CB -0.621 68.254 68.868 0.011 0.000 0.899 493 T HN 0.023 nan 8.240 nan 0.000 0.491 494 Y N 0.728 120.989 120.300 -0.065 0.000 2.389 494 Y HA 0.187 4.735 4.550 -0.004 0.000 0.292 494 Y C 1.780 177.677 175.900 -0.005 0.000 1.117 494 Y CA 0.724 58.789 58.100 -0.058 0.000 1.195 494 Y CB 0.175 38.575 38.460 -0.101 0.000 1.076 494 Y HN 0.105 nan 8.280 nan 0.000 0.548 495 D N 0.485 120.925 120.400 0.066 0.000 2.348 495 D HA -0.033 4.605 4.640 -0.004 0.000 0.216 495 D C 1.946 178.216 176.300 -0.049 0.000 0.970 495 D CA 1.003 55.007 54.000 0.006 0.000 0.889 495 D CB -0.069 40.781 40.800 0.083 0.000 0.912 495 D HN 0.506 nan 8.370 nan 0.000 0.524 496 A N 0.214 123.004 122.820 -0.050 0.000 2.067 496 A HA 0.059 4.377 4.320 -0.004 0.000 0.217 496 A C 1.245 178.794 177.584 -0.059 0.000 1.156 496 A CA 0.070 52.083 52.037 -0.041 0.000 0.683 496 A CB -0.186 18.801 19.000 -0.023 0.000 0.808 496 A HN 0.147 nan 8.150 nan 0.000 0.455 497 L N 1.258 122.417 121.223 -0.108 0.000 2.439 497 L HA 0.150 4.487 4.340 -0.004 0.000 0.269 497 L C -0.566 176.276 176.870 -0.047 0.000 1.179 497 L CA -0.595 54.192 54.840 -0.088 0.000 0.828 497 L CB 0.403 42.366 42.059 -0.161 0.000 1.106 497 L HN 0.263 nan 8.230 nan 0.000 0.467 498 D N 2.752 123.139 120.400 -0.022 0.000 2.313 498 D HA 0.144 4.781 4.640 -0.004 0.000 0.247 498 D C -1.636 174.625 176.300 -0.065 0.000 1.094 498 D CA -1.142 52.831 54.000 -0.046 0.000 0.925 498 D CB 0.437 41.215 40.800 -0.038 0.000 1.188 498 D HN 0.259 nan 8.370 nan 0.000 0.430 499 P HA -0.195 nan 4.420 nan 0.000 0.218 499 P C 1.284 178.502 177.300 -0.137 0.000 1.146 499 P CA 1.036 63.895 63.100 -0.401 0.000 0.813 499 P CB 0.218 31.725 31.700 -0.321 0.000 0.778 500 S N -0.841 114.822 115.700 -0.060 0.000 2.383 500 S HA -0.141 4.327 4.470 -0.004 0.000 0.227 500 S C 1.085 175.703 174.600 0.031 0.000 1.026 500 S CA 1.485 59.677 58.200 -0.012 0.000 0.981 500 S CB -0.883 62.309 63.200 -0.014 0.000 0.818 500 S HN 0.092 nan 8.310 nan 0.000 0.472 501 D N -0.009 120.419 120.400 0.047 0.000 2.325 501 D HA 0.211 4.849 4.640 -0.004 0.000 0.225 501 D C 0.346 176.714 176.300 0.114 0.000 1.096 501 D CA 0.035 54.073 54.000 0.064 0.000 0.844 501 D CB -0.104 40.717 40.800 0.034 0.000 0.925 501 D HN 0.395 nan 8.370 nan 0.000 0.513 502 H N 0.000 119.058 119.070 -0.021 0.000 2.539 502 H HA 0.000 4.553 4.556 -0.004 0.000 0.296 502 H CA 0.000 56.052 56.048 0.007 0.000 1.023 502 H CB 0.000 29.772 29.762 0.017 0.000 1.292 502 H HN 0.000 nan 8.280 nan 0.000 0.496