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 1g59_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVVTRIAPSP TGDPHVGTAY IALFNYAWAR RNGGRFIVRI EDTDRARYVP DATA SEQUENCE GAEERILAAL KWLGLSYDEG PDVAAPTGPY RQSERLPLYQ KYAEELLKRG DATA SEQUENCE WAYRAFETPE ELEQIRKEKG GYDGRARNIP PEEAEERARR GEPHVIRLKV DATA SEQUENCE PRPGTTEVKD ELRGVVVYDN QEIPDVVLLK SDGYPTYHLA NVVDDHLMGV DATA SEQUENCE TDVIRAEEWL VSTPIHVLLY RAFGWEAPRF YHMPLLRNPD KTKISKRKSH DATA SEQUENCE TSLDWYKAEG FLPEALRNYL CLMGFSMPDG REIFTLEEFI QAFTWERVSL DATA SEQUENCE GGPVFDLEKL RWMNGKYIRE VLSLEEVAER VKPFLREAGL SWESEAYLRR DATA SEQUENCE AVELMRPRFD TLKEFPEKAR YLFTEDYPVS EKAQRKLEEG LPLLKELYPR DATA SEQUENCE LRAQEEWTEA ALEALLRGFA AEKGVKLGQV AQPLRAALTG SLETPGLFEI DATA SEQUENCE LALLGKERAL RRLERALA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.080 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.072 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 V N 1.902 121.757 119.914 -0.099 0.000 2.525 2 V HA 0.762 4.882 4.120 -0.000 0.000 0.299 2 V C -1.394 174.667 176.094 -0.056 0.000 1.034 2 V CA -0.602 61.634 62.300 -0.106 0.000 0.863 2 V CB 1.920 33.589 31.823 -0.257 0.000 0.999 2 V HN 0.516 nan 8.190 nan 0.000 0.423 3 V N 4.588 124.505 119.914 0.006 0.000 2.419 3 V HA 0.534 4.654 4.120 -0.000 0.000 0.287 3 V C 0.266 176.440 176.094 0.134 0.000 1.017 3 V CA -0.407 61.926 62.300 0.056 0.000 0.844 3 V CB 1.939 33.776 31.823 0.024 0.000 1.011 3 V HN 0.983 nan 8.190 nan 0.000 0.429 4 T N 2.714 117.399 114.554 0.219 0.000 2.937 4 T HA 1.000 5.350 4.350 -0.000 0.000 0.283 4 T C -0.335 174.633 174.700 0.448 0.000 1.012 4 T CA -0.851 61.432 62.100 0.305 0.000 0.997 4 T CB 2.501 71.542 68.868 0.288 0.000 1.136 4 T HN 0.746 nan 8.240 nan 0.000 0.551 5 R N -0.569 120.202 120.500 0.453 0.000 2.741 5 R HA 0.745 5.085 4.340 -0.000 0.000 0.274 5 R C -1.533 175.051 176.300 0.472 0.000 1.029 5 R CA -1.129 55.252 56.100 0.469 0.000 0.880 5 R CB 0.202 30.626 30.300 0.207 0.000 1.264 5 R HN 0.955 nan 8.270 nan 0.000 0.465 6 I N -2.431 118.340 120.570 0.335 0.000 2.534 6 I HA 0.836 5.006 4.170 -0.000 0.000 0.288 6 I C -0.813 175.367 176.117 0.105 0.000 1.077 6 I CA -1.323 60.119 61.300 0.235 0.000 1.051 6 I CB 2.581 40.746 38.000 0.276 0.000 1.234 6 I HN 0.792 nan 8.210 nan 0.000 0.425 7 A N 6.652 129.525 122.820 0.088 0.000 2.838 7 A HA 0.740 5.060 4.320 -0.000 0.000 0.337 7 A C -2.615 174.989 177.584 0.033 0.000 1.383 7 A CA -1.451 50.621 52.037 0.058 0.000 0.985 7 A CB -0.420 18.634 19.000 0.089 0.000 1.157 7 A HN 0.546 nan 8.150 nan 0.000 0.497 8 P HA 0.254 nan 4.420 nan 0.000 0.275 8 P C -0.057 177.271 177.300 0.046 0.000 1.228 8 P CA -0.057 63.070 63.100 0.045 0.000 0.786 8 P CB 1.215 32.945 31.700 0.050 0.000 0.927 9 S N 2.783 118.512 115.700 0.049 0.000 2.448 9 S HA 0.362 4.832 4.470 -0.000 0.000 0.320 9 S C -2.223 172.418 174.600 0.068 0.000 1.071 9 S CA -1.517 56.719 58.200 0.062 0.000 1.113 9 S CB 0.097 63.323 63.200 0.044 0.000 0.972 9 S HN 0.296 nan 8.310 nan 0.000 0.465 10 P HA 0.144 nan 4.420 nan 0.000 0.241 10 P C -0.136 177.122 177.300 -0.069 0.000 1.760 10 P CA -0.139 62.969 63.100 0.013 0.000 1.081 10 P CB -0.873 30.862 31.700 0.059 0.000 1.975 11 T N -1.027 113.513 114.554 -0.023 0.000 3.533 11 T HA 0.603 4.953 4.350 -0.000 0.000 0.275 11 T C 0.380 175.071 174.700 -0.015 0.000 1.000 11 T CA -0.295 61.788 62.100 -0.029 0.000 1.015 11 T CB 0.205 69.091 68.868 0.030 0.000 1.153 11 T HN 0.412 nan 8.240 nan 0.000 0.504 12 G N 0.749 109.532 108.800 -0.029 0.000 2.356 12 G HA2 0.343 4.302 3.960 -0.000 0.000 0.288 12 G HA3 0.343 4.302 3.960 -0.000 0.000 0.288 12 G C -2.078 172.822 174.900 0.000 0.000 1.302 12 G CA -0.967 44.129 45.100 -0.007 0.000 0.887 12 G HN 0.250 nan 8.290 nan 0.000 0.521 13 D N 1.303 121.706 120.400 0.004 0.000 2.400 13 D HA 0.444 5.084 4.640 -0.000 0.000 0.238 13 D C -2.151 174.168 176.300 0.031 0.000 1.157 13 D CA -0.358 53.644 54.000 0.003 0.000 0.889 13 D CB 0.323 41.117 40.800 -0.011 0.000 1.199 13 D HN 0.195 nan 8.370 nan 0.000 0.436 14 P HA -0.025 nan 4.420 nan 0.000 0.260 14 P C -0.356 177.001 177.300 0.095 0.000 1.207 14 P CA 0.351 63.498 63.100 0.079 0.000 0.780 14 P CB 0.126 31.867 31.700 0.068 0.000 0.789 15 H N 2.908 122.024 119.070 0.078 0.000 2.652 15 H HA 0.038 4.594 4.556 -0.000 0.000 0.349 15 H C 1.225 176.610 175.328 0.094 0.000 1.099 15 H CA 0.140 56.235 56.048 0.078 0.000 1.417 15 H CB 1.409 31.213 29.762 0.071 0.000 1.457 15 H HN 0.131 nan 8.280 nan 0.000 0.568 16 V N 4.584 124.618 119.914 0.199 0.000 2.667 16 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 16 V C 2.010 178.283 176.094 0.299 0.000 1.065 16 V CA 2.127 64.531 62.300 0.173 0.000 1.083 16 V CB -0.575 31.205 31.823 -0.073 0.000 0.692 16 V HN 0.940 nan 8.190 nan 0.000 0.468 17 G N -0.575 108.527 108.800 0.504 0.000 2.432 17 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 17 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 17 G C 1.552 176.623 174.900 0.285 0.000 1.135 17 G CA 1.406 46.683 45.100 0.294 0.000 0.767 17 G HN 0.523 nan 8.290 nan 0.000 0.550 18 T N 1.548 116.258 114.554 0.260 0.000 2.821 18 T HA 0.090 4.440 4.350 -0.000 0.000 0.267 18 T C 2.807 177.647 174.700 0.233 0.000 1.046 18 T CA 1.270 63.501 62.100 0.218 0.000 1.139 18 T CB -0.265 68.724 68.868 0.200 0.000 0.871 18 T HN 0.351 nan 8.240 nan 0.000 0.454 19 A N 1.106 124.075 122.820 0.248 0.000 1.873 19 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 19 A C 2.085 179.845 177.584 0.293 0.000 1.186 19 A CA 1.474 53.650 52.037 0.231 0.000 0.616 19 A CB -1.109 18.012 19.000 0.201 0.000 0.823 19 A HN 0.504 nan 8.150 nan 0.000 0.442 20 Y N 1.228 121.639 120.300 0.184 0.000 2.040 20 Y HA -0.283 4.267 4.550 -0.000 0.000 0.275 20 Y C 2.020 178.133 175.900 0.355 0.000 1.171 20 Y CA 1.829 60.080 58.100 0.252 0.000 1.123 20 Y CB -0.468 38.100 38.460 0.180 0.000 0.963 20 Y HN 0.266 nan 8.280 nan 0.000 0.493 21 I N 0.404 121.051 120.570 0.128 0.000 2.252 21 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 21 I C 2.759 178.957 176.117 0.135 0.000 1.102 21 I CA 1.366 62.676 61.300 0.016 0.000 1.385 21 I CB -2.108 35.927 38.000 0.057 0.000 1.064 21 I HN 0.334 nan 8.210 nan 0.000 0.414 22 A N 1.318 124.239 122.820 0.169 0.000 1.873 22 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 22 A C 2.340 179.933 177.584 0.015 0.000 1.193 22 A CA 1.918 54.042 52.037 0.145 0.000 0.629 22 A CB -1.169 17.965 19.000 0.225 0.000 0.826 22 A HN 0.391 nan 8.150 nan 0.000 0.447 23 L N -1.510 119.764 121.223 0.086 0.000 2.081 23 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 23 L C 2.066 178.866 176.870 -0.115 0.000 1.080 23 L CA 2.039 56.879 54.840 0.001 0.000 0.754 23 L CB -0.771 41.283 42.059 -0.008 0.000 0.893 23 L HN 0.361 nan 8.230 nan 0.000 0.433 24 F N -0.793 119.108 119.950 -0.081 0.000 2.416 24 F HA 0.002 4.529 4.527 -0.000 0.000 0.296 24 F C 2.164 177.764 175.800 -0.332 0.000 1.099 24 F CA 1.042 58.887 58.000 -0.258 0.000 1.427 24 F CB -0.602 38.307 39.000 -0.152 0.000 1.079 24 F HN 0.194 nan 8.300 nan 0.000 0.536 25 N N -1.008 117.604 118.700 -0.147 0.000 2.171 25 N HA -0.195 4.544 4.740 -0.000 0.000 0.184 25 N C 1.740 176.901 175.510 -0.581 0.000 1.021 25 N CA 0.878 53.755 53.050 -0.290 0.000 0.854 25 N CB -0.415 37.856 38.487 -0.360 0.000 0.994 25 N HN 0.280 nan 8.380 nan 0.000 0.426 26 Y N 1.398 121.143 120.300 -0.925 0.000 2.128 26 Y HA -0.195 4.354 4.550 -0.000 0.000 0.284 26 Y C 2.183 177.839 175.900 -0.407 0.000 1.154 26 Y CA 1.661 59.355 58.100 -0.677 0.000 1.149 26 Y CB -0.441 37.788 38.460 -0.386 0.000 0.976 26 Y HN 0.061 nan 8.280 nan 0.000 0.505 27 A N 1.357 123.872 122.820 -0.508 0.000 1.841 27 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 27 A C 2.350 179.556 177.584 -0.630 0.000 1.199 27 A CA 1.709 53.260 52.037 -0.809 0.000 0.621 27 A CB -1.956 16.152 19.000 -1.486 0.000 0.835 27 A HN 0.875 nan 8.150 nan 0.000 0.445 28 W N 0.490 121.312 121.300 -0.797 0.000 2.318 28 W HA -0.274 4.386 4.660 -0.000 0.000 0.313 28 W C 2.478 178.847 176.519 -0.250 0.000 1.221 28 W CA 1.973 59.105 57.345 -0.355 0.000 1.266 28 W CB -0.178 29.201 29.460 -0.134 0.000 1.150 28 W HN 0.478 nan 8.180 nan 0.000 0.496 29 A N 1.031 123.740 122.820 -0.186 0.000 1.841 29 A HA -0.257 4.062 4.320 -0.000 0.000 0.216 29 A C 2.012 179.404 177.584 -0.319 0.000 1.199 29 A CA 2.014 53.910 52.037 -0.235 0.000 0.621 29 A CB -1.199 17.756 19.000 -0.074 0.000 0.835 29 A HN 0.221 nan 8.150 nan 0.000 0.445 30 R N -0.746 119.514 120.500 -0.399 0.000 2.096 30 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 30 R C 2.252 178.347 176.300 -0.343 0.000 1.139 30 R CA 1.825 57.681 56.100 -0.406 0.000 0.952 30 R CB -0.842 29.079 30.300 -0.631 0.000 0.854 30 R HN 0.568 nan 8.270 nan 0.000 0.436 31 R N 1.486 121.769 120.500 -0.362 0.000 2.139 31 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 31 R C 0.535 176.648 176.300 -0.312 0.000 1.145 31 R CA 1.839 57.767 56.100 -0.287 0.000 0.976 31 R CB -0.376 29.817 30.300 -0.178 0.000 0.866 31 R HN 0.218 nan 8.270 nan 0.000 0.449 32 N N -0.699 117.755 118.700 -0.411 0.000 2.238 32 N HA 0.214 4.954 4.740 -0.000 0.000 0.222 32 N C -0.180 175.164 175.510 -0.276 0.000 1.133 32 N CA 0.656 53.466 53.050 -0.400 0.000 0.854 32 N CB 1.156 39.278 38.487 -0.609 0.000 1.041 32 N HN 0.349 nan 8.380 nan 0.000 0.510 33 G N -0.003 108.657 108.800 -0.234 0.000 2.390 33 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.299 33 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.299 33 G C 0.531 175.339 174.900 -0.152 0.000 1.002 33 G CA 0.535 45.532 45.100 -0.171 0.000 0.979 33 G HN 0.545 nan 8.290 nan 0.000 0.513 34 G N -1.309 107.388 108.800 -0.173 0.000 2.795 34 G HA2 0.732 4.692 3.960 -0.000 0.000 0.267 34 G HA3 0.732 4.692 3.960 -0.000 0.000 0.267 34 G C -0.028 174.836 174.900 -0.060 0.000 1.362 34 G CA -1.082 43.943 45.100 -0.124 0.000 1.048 34 G HN 0.480 nan 8.290 nan 0.000 0.547 35 R N -1.350 119.144 120.500 -0.010 0.000 2.668 35 R HA 0.576 4.916 4.340 -0.000 0.000 0.279 35 R C -1.470 174.933 176.300 0.173 0.000 0.976 35 R CA -0.576 55.557 56.100 0.055 0.000 0.978 35 R CB 1.831 32.150 30.300 0.031 0.000 1.133 35 R HN 0.434 nan 8.270 nan 0.000 0.484 36 F N 4.315 124.286 119.950 0.035 0.000 2.536 36 F HA 0.492 5.019 4.527 -0.000 0.000 0.322 36 F C -1.176 174.693 175.800 0.115 0.000 1.144 36 F CA -1.118 56.932 58.000 0.083 0.000 0.924 36 F CB 0.930 40.000 39.000 0.116 0.000 1.181 36 F HN 0.203 nan 8.300 nan 0.000 0.438 37 I N 6.143 126.516 120.570 -0.329 0.000 2.607 37 I HA 0.488 4.658 4.170 -0.000 0.000 0.305 37 I C -0.670 175.105 176.117 -0.571 0.000 0.995 37 I CA -1.259 59.812 61.300 -0.381 0.000 1.148 37 I CB 1.409 39.390 38.000 -0.032 0.000 1.323 37 I HN 0.293 nan 8.210 nan 0.000 0.461 38 V N 5.143 124.760 119.914 -0.494 0.000 2.384 38 V HA 0.469 4.589 4.120 -0.000 0.000 0.287 38 V C 0.099 176.118 176.094 -0.125 0.000 1.020 38 V CA -0.680 61.355 62.300 -0.441 0.000 0.850 38 V CB 1.915 33.227 31.823 -0.852 0.000 0.987 38 V HN 0.675 nan 8.190 nan 0.000 0.436 39 R N 5.197 125.687 120.500 -0.016 0.000 2.480 39 R HA 0.531 4.871 4.340 -0.000 0.000 0.306 39 R C -1.255 175.076 176.300 0.051 0.000 0.958 39 R CA -0.751 55.398 56.100 0.082 0.000 0.861 39 R CB 1.378 31.727 30.300 0.082 0.000 1.171 39 R HN 0.535 nan 8.270 nan 0.000 0.445 40 I N 3.677 124.290 120.570 0.071 0.000 2.352 40 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 40 I C 0.489 176.652 176.117 0.076 0.000 1.036 40 I CA 0.071 61.413 61.300 0.070 0.000 1.336 40 I CB 1.277 39.331 38.000 0.089 0.000 1.407 40 I HN 0.662 nan 8.210 nan 0.000 0.497 41 E N 5.962 126.204 120.200 0.071 0.000 1.979 41 E HA 0.015 4.365 4.350 -0.000 0.000 0.285 41 E C -0.472 176.185 176.600 0.095 0.000 1.188 41 E CA -0.233 56.206 56.400 0.064 0.000 1.214 41 E CB 0.020 29.747 29.700 0.045 0.000 1.210 41 E HN 0.473 nan 8.360 nan 0.000 0.477 42 D N 2.139 122.602 120.400 0.106 0.000 3.088 42 D HA -0.007 4.632 4.640 -0.000 0.000 0.310 42 D C 0.166 176.532 176.300 0.110 0.000 1.351 42 D CA -0.444 53.642 54.000 0.142 0.000 0.921 42 D CB 0.393 41.281 40.800 0.146 0.000 1.045 42 D HN 0.180 nan 8.370 nan 0.000 0.504 43 T N -3.281 111.347 114.554 0.124 0.000 3.228 43 T HA 0.104 4.454 4.350 -0.000 0.000 0.278 43 T C 0.121 174.930 174.700 0.181 0.000 1.014 43 T CA -0.580 61.659 62.100 0.232 0.000 0.904 43 T CB 0.240 69.168 68.868 0.100 0.000 1.110 43 T HN 0.065 nan 8.240 nan 0.000 0.541 44 D N 2.669 123.118 120.400 0.082 0.000 2.485 44 D HA 0.134 4.774 4.640 -0.000 0.000 0.256 44 D C 0.952 177.231 176.300 -0.035 0.000 1.141 44 D CA -0.583 53.420 54.000 0.006 0.000 0.942 44 D CB 0.724 41.553 40.800 0.049 0.000 1.003 44 D HN 0.433 nan 8.370 nan 0.000 0.507 45 R N 1.621 121.992 120.500 -0.214 0.000 2.500 45 R HA 0.170 4.509 4.340 -0.000 0.000 0.212 45 R C 0.742 176.994 176.300 -0.079 0.000 1.330 45 R CA 0.242 56.227 56.100 -0.191 0.000 1.262 45 R CB -0.118 29.944 30.300 -0.396 0.000 0.998 45 R HN 0.161 nan 8.270 nan 0.000 0.484 46 A N 1.064 123.873 122.820 -0.018 0.000 1.917 46 A HA 0.158 4.477 4.320 -0.000 0.000 0.200 46 A C 1.595 179.205 177.584 0.043 0.000 1.671 46 A CA -0.415 51.624 52.037 0.003 0.000 1.034 46 A CB 0.452 19.440 19.000 -0.021 0.000 1.057 46 A HN 0.281 nan 8.150 nan 0.000 0.507 47 R N -1.126 119.409 120.500 0.059 0.000 2.359 47 R HA 0.189 4.529 4.340 -0.000 0.000 0.231 47 R C -0.307 176.046 176.300 0.089 0.000 0.913 47 R CA -0.292 55.844 56.100 0.060 0.000 1.075 47 R CB -0.186 30.143 30.300 0.048 0.000 1.087 47 R HN 0.533 nan 8.270 nan 0.000 0.515 48 Y N 1.410 121.712 120.300 0.004 0.000 2.569 48 Y HA 0.031 4.581 4.550 -0.000 0.000 0.332 48 Y C -0.187 175.724 175.900 0.018 0.000 1.120 48 Y CA -0.208 57.901 58.100 0.016 0.000 1.416 48 Y CB 0.607 39.078 38.460 0.019 0.000 1.210 48 Y HN -0.258 nan 8.280 nan 0.000 0.528 49 V N 10.072 129.637 119.914 -0.583 0.000 2.318 49 V HA 0.239 4.358 4.120 -0.000 0.000 0.271 49 V C -2.053 173.590 176.094 -0.751 0.000 1.030 49 V CA -2.033 59.987 62.300 -0.466 0.000 0.844 49 V CB 0.754 32.431 31.823 -0.243 0.000 1.015 49 V HN 0.702 nan 8.190 nan 0.000 0.460 50 P HA 0.202 nan 4.420 nan 0.000 0.267 50 P C 0.903 178.119 177.300 -0.140 0.000 1.209 50 P CA 0.989 63.947 63.100 -0.237 0.000 0.763 50 P CB 1.004 32.733 31.700 0.048 0.000 0.816 51 G N 2.892 111.641 108.800 -0.084 0.000 2.176 51 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.232 51 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.232 51 G C 0.894 175.757 174.900 -0.061 0.000 0.986 51 G CA 0.225 45.300 45.100 -0.041 0.000 0.643 51 G HN 0.695 nan 8.290 nan 0.000 0.522 52 A N -0.061 122.683 122.820 -0.126 0.000 2.132 52 A HA 0.466 4.786 4.320 -0.000 0.000 0.213 52 A C 1.780 179.346 177.584 -0.031 0.000 1.154 52 A CA 1.913 53.892 52.037 -0.097 0.000 0.753 52 A CB -0.135 18.764 19.000 -0.168 0.000 0.826 52 A HN 0.615 nan 8.150 nan 0.000 0.469 53 E N 0.367 120.568 120.200 0.003 0.000 2.046 53 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 53 E C 1.708 178.338 176.600 0.049 0.000 0.982 53 E CA 1.284 57.716 56.400 0.053 0.000 0.800 53 E CB -0.052 29.712 29.700 0.107 0.000 0.756 53 E HN 0.629 nan 8.360 nan 0.000 0.449 54 E N 0.657 120.885 120.200 0.047 0.000 2.070 54 E HA -0.214 4.135 4.350 -0.000 0.000 0.197 54 E C 2.177 178.803 176.600 0.043 0.000 1.004 54 E CA 1.521 57.950 56.400 0.048 0.000 0.805 54 E CB -0.175 29.548 29.700 0.038 0.000 0.744 54 E HN 0.195 nan 8.360 nan 0.000 0.451 55 R N 0.354 120.869 120.500 0.025 0.000 2.081 55 R HA -0.081 4.258 4.340 -0.000 0.000 0.235 55 R C 2.428 178.753 176.300 0.041 0.000 1.131 55 R CA 1.366 57.476 56.100 0.018 0.000 0.960 55 R CB -0.419 29.879 30.300 -0.002 0.000 0.856 55 R HN 0.214 nan 8.270 nan 0.000 0.436 56 I N 1.049 121.649 120.570 0.049 0.000 2.142 56 I HA -0.290 3.879 4.170 -0.000 0.000 0.240 56 I C 2.287 178.457 176.117 0.089 0.000 1.078 56 I CA 1.544 62.886 61.300 0.070 0.000 1.343 56 I CB -0.552 37.483 38.000 0.059 0.000 1.046 56 I HN 0.184 nan 8.210 nan 0.000 0.405 57 L N 0.731 122.003 121.223 0.081 0.000 2.083 57 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 57 L C 2.845 179.819 176.870 0.173 0.000 1.083 57 L CA 1.214 56.131 54.840 0.127 0.000 0.752 57 L CB -0.793 41.345 42.059 0.132 0.000 0.899 57 L HN 0.209 nan 8.230 nan 0.000 0.433 58 A N 0.173 123.070 122.820 0.127 0.000 1.929 58 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 58 A C 2.576 180.262 177.584 0.170 0.000 1.176 58 A CA 1.401 53.514 52.037 0.127 0.000 0.628 58 A CB -0.560 18.483 19.000 0.071 0.000 0.816 58 A HN 0.360 nan 8.150 nan 0.000 0.444 59 A N 0.105 123.013 122.820 0.147 0.000 1.902 59 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 59 A C 2.132 179.893 177.584 0.295 0.000 1.181 59 A CA 1.495 53.654 52.037 0.203 0.000 0.623 59 A CB -0.642 18.443 19.000 0.142 0.000 0.818 59 A HN 0.481 nan 8.150 nan 0.000 0.443 60 L N -0.756 120.606 121.223 0.231 0.000 2.046 60 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 60 L C 2.553 179.546 176.870 0.205 0.000 1.077 60 L CA 1.812 56.785 54.840 0.223 0.000 0.747 60 L CB -0.526 41.674 42.059 0.235 0.000 0.896 60 L HN 0.357 nan 8.230 nan 0.000 0.432 61 K N -0.915 119.616 120.400 0.218 0.000 2.057 61 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 61 K C 1.924 178.626 176.600 0.169 0.000 1.050 61 K CA 1.546 57.925 56.287 0.154 0.000 0.935 61 K CB -0.373 32.210 32.500 0.139 0.000 0.715 61 K HN 0.241 nan 8.250 nan 0.000 0.439 62 W N 1.747 123.073 121.300 0.044 0.000 2.325 62 W HA -0.198 4.462 4.660 -0.000 0.000 0.299 62 W C 1.257 177.793 176.519 0.028 0.000 1.215 62 W CA 1.383 58.753 57.345 0.042 0.000 1.244 62 W CB -0.133 29.363 29.460 0.060 0.000 1.140 62 W HN -0.042 nan 8.180 nan 0.000 0.523 63 L N 0.259 121.504 121.223 0.037 0.000 2.558 63 L HA 0.290 4.630 4.340 -0.000 0.000 0.225 63 L C 2.019 178.787 176.870 -0.168 0.000 1.128 63 L CA 1.258 55.999 54.840 -0.165 0.000 0.868 63 L CB -0.556 41.487 42.059 -0.026 0.000 1.006 63 L HN 0.224 nan 8.230 nan 0.000 0.454 64 G N -0.616 108.116 108.800 -0.112 0.000 2.144 64 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 64 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 64 G C 0.130 174.896 174.900 -0.223 0.000 0.988 64 G CA -0.364 44.656 45.100 -0.133 0.000 0.659 64 G HN 0.153 nan 8.290 nan 0.000 0.522 65 L N 1.946 123.036 121.223 -0.221 0.000 2.276 65 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 65 L C 0.313 177.131 176.870 -0.087 0.000 1.061 65 L CA -0.493 54.111 54.840 -0.394 0.000 0.807 65 L CB 1.529 43.464 42.059 -0.207 0.000 1.177 65 L HN 0.187 nan 8.230 nan 0.000 0.429 66 S N 1.992 117.671 115.700 -0.035 0.000 2.501 66 S HA 0.685 5.155 4.470 -0.000 0.000 0.301 66 S C -0.837 173.918 174.600 0.258 0.000 1.096 66 S CA -0.736 57.488 58.200 0.041 0.000 1.063 66 S CB 1.306 64.520 63.200 0.023 0.000 1.042 66 S HN 0.427 nan 8.310 nan 0.000 0.494 67 Y N -0.817 119.536 120.300 0.088 0.000 2.446 67 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 67 Y C 0.305 176.159 175.900 -0.077 0.000 1.055 67 Y CA -1.464 56.612 58.100 -0.039 0.000 1.101 67 Y CB 0.400 38.619 38.460 -0.402 0.000 1.221 67 Y HN 0.418 nan 8.280 nan 0.000 0.460 68 D N 0.971 121.395 120.400 0.040 0.000 2.234 68 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 68 D C -0.339 175.919 176.300 -0.070 0.000 0.962 68 D CA 1.174 55.162 54.000 -0.021 0.000 0.855 68 D CB 0.383 41.192 40.800 0.015 0.000 0.951 68 D HN 0.777 nan 8.370 nan 0.000 0.500 69 E N -0.899 119.248 120.200 -0.089 0.000 2.383 69 E HA 0.644 4.994 4.350 -0.000 0.000 0.275 69 E C -0.271 176.104 176.600 -0.375 0.000 0.918 69 E CA -0.916 55.321 56.400 -0.271 0.000 0.764 69 E CB 2.965 32.486 29.700 -0.297 0.000 1.252 69 E HN 0.061 nan 8.360 nan 0.000 0.449 70 G N 0.892 109.271 108.800 -0.702 0.000 2.313 70 G HA2 0.168 4.127 3.960 -0.000 0.000 0.296 70 G HA3 0.168 4.127 3.960 -0.000 0.000 0.296 70 G C -2.693 172.041 174.900 -0.277 0.000 1.356 70 G CA -0.873 43.916 45.100 -0.517 0.000 0.833 70 G HN 0.265 nan 8.290 nan 0.000 0.552 71 P HA -0.104 nan 4.420 nan 0.000 0.216 71 P C 1.101 178.443 177.300 0.070 0.000 1.157 71 P CA 2.323 65.472 63.100 0.081 0.000 0.880 71 P CB 0.126 31.878 31.700 0.086 0.000 0.791 72 D N -1.469 118.982 120.400 0.086 0.000 2.269 72 D HA -0.028 4.612 4.640 -0.000 0.000 0.220 72 D C 0.727 177.039 176.300 0.021 0.000 0.962 72 D CA 0.368 54.406 54.000 0.064 0.000 0.884 72 D CB -1.213 39.634 40.800 0.079 0.000 1.023 72 D HN -0.055 nan 8.370 nan 0.000 0.484 73 V N 2.013 121.934 119.914 0.013 0.000 2.302 73 V HA 0.427 4.546 4.120 -0.000 0.000 0.244 73 V C 1.030 177.067 176.094 -0.095 0.000 1.160 73 V CA -0.396 61.861 62.300 -0.072 0.000 1.127 73 V CB -0.703 31.008 31.823 -0.186 0.000 1.253 73 V HN 0.420 nan 8.190 nan 0.000 0.496 74 A N 4.913 127.698 122.820 -0.059 0.000 2.332 74 A HA 0.575 4.895 4.320 -0.000 0.000 0.353 74 A C 0.657 178.187 177.584 -0.091 0.000 1.260 74 A CA 0.940 52.954 52.037 -0.039 0.000 1.079 74 A CB 0.061 19.070 19.000 0.014 0.000 1.140 74 A HN 1.905 nan 8.150 nan 0.000 0.543 75 A N -3.112 119.733 122.820 0.040 0.000 2.452 75 A HA 0.574 4.894 4.320 -0.000 0.000 0.294 75 A C -2.319 175.364 177.584 0.165 0.000 1.010 75 A CA 0.051 52.134 52.037 0.076 0.000 0.613 75 A CB -0.385 18.618 19.000 0.005 0.000 1.363 75 A HN 0.718 nan 8.150 nan 0.000 0.463 76 P HA 0.127 nan 4.420 nan 0.000 0.235 76 P C 0.332 177.663 177.300 0.053 0.000 1.177 76 P CA 0.986 64.129 63.100 0.071 0.000 0.785 76 P CB 0.248 31.967 31.700 0.032 0.000 0.885 77 T N 1.037 115.645 114.554 0.090 0.000 3.029 77 T HA 0.501 4.851 4.350 -0.000 0.000 0.346 77 T C 0.371 174.915 174.700 -0.261 0.000 1.211 77 T CA 0.163 62.230 62.100 -0.055 0.000 1.009 77 T CB 0.207 69.040 68.868 -0.058 0.000 1.084 77 T HN 0.369 nan 8.240 nan 0.000 0.536 78 G N 5.806 114.484 108.800 -0.203 0.000 2.977 78 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.308 78 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.308 78 G C -2.557 172.092 174.900 -0.417 0.000 1.491 78 G CA -1.290 43.655 45.100 -0.259 0.000 0.971 78 G HN 0.499 nan 8.290 nan 0.000 0.557 79 P HA 0.127 nan 4.420 nan 0.000 0.268 79 P C -0.279 176.789 177.300 -0.386 0.000 1.208 79 P CA 0.347 63.334 63.100 -0.188 0.000 0.777 79 P CB 0.172 31.822 31.700 -0.085 0.000 0.875 80 Y N -0.288 120.009 120.300 -0.005 0.000 2.555 80 Y HA 0.281 4.831 4.550 -0.000 0.000 0.259 80 Y C 1.406 177.310 175.900 0.006 0.000 1.179 80 Y CA 0.013 58.108 58.100 -0.007 0.000 1.230 80 Y CB 0.393 38.842 38.460 -0.018 0.000 1.146 80 Y HN 0.168 nan 8.280 nan 0.000 0.526 81 R N 0.826 121.381 120.500 0.091 0.000 2.288 81 R HA 0.175 4.515 4.340 -0.000 0.000 0.326 81 R C 1.029 177.365 176.300 0.059 0.000 0.959 81 R CA -0.161 55.986 56.100 0.079 0.000 0.834 81 R CB 0.699 31.040 30.300 0.069 0.000 1.157 81 R HN 0.192 nan 8.270 nan 0.000 0.470 82 Q N 1.008 120.855 119.800 0.079 0.000 2.376 82 Q HA -0.197 4.143 4.340 -0.000 0.000 0.211 82 Q C 1.309 177.385 176.000 0.127 0.000 0.986 82 Q CA 2.138 58.015 55.803 0.124 0.000 0.886 82 Q CB 0.238 29.010 28.738 0.056 0.000 0.927 82 Q HN 0.766 nan 8.270 nan 0.000 0.457 83 S N -0.254 115.476 115.700 0.049 0.000 2.414 83 S HA -0.090 4.379 4.470 -0.000 0.000 0.227 83 S C 1.265 175.846 174.600 -0.032 0.000 1.022 83 S CA 0.738 58.930 58.200 -0.013 0.000 0.958 83 S CB -0.085 63.101 63.200 -0.023 0.000 0.797 83 S HN 0.414 nan 8.310 nan 0.000 0.493 84 E N 1.706 121.899 120.200 -0.012 0.000 2.511 84 E HA -0.024 4.325 4.350 -0.000 0.000 0.196 84 E C 0.714 177.274 176.600 -0.067 0.000 1.066 84 E CA 0.303 56.681 56.400 -0.036 0.000 0.871 84 E CB -0.191 29.494 29.700 -0.024 0.000 0.863 84 E HN 0.786 nan 8.360 nan 0.000 0.520 85 R N 0.163 120.627 120.500 -0.061 0.000 2.690 85 R HA 0.235 4.575 4.340 -0.000 0.000 0.419 85 R C 1.063 177.183 176.300 -0.300 0.000 1.090 85 R CA -0.352 55.623 56.100 -0.207 0.000 1.064 85 R CB 0.004 30.117 30.300 -0.311 0.000 1.391 85 R HN -0.111 nan 8.270 nan 0.000 0.586 86 L N 2.080 123.265 121.223 -0.063 0.000 2.012 86 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 86 L C -0.690 176.158 176.870 -0.038 0.000 1.073 86 L CA 1.533 56.403 54.840 0.049 0.000 0.748 86 L CB -0.966 40.997 42.059 -0.160 0.000 0.891 86 L HN 0.107 nan 8.230 nan 0.000 0.431 87 P HA -0.190 nan 4.420 nan 0.000 0.217 87 P C 1.920 179.162 177.300 -0.097 0.000 1.148 87 P CA 0.981 64.033 63.100 -0.080 0.000 0.828 87 P CB 0.032 31.683 31.700 -0.081 0.000 0.783 88 L N -1.084 120.006 121.223 -0.222 0.000 1.955 88 L HA -0.190 4.149 4.340 -0.000 0.000 0.213 88 L C 2.280 179.143 176.870 -0.013 0.000 1.072 88 L CA 1.942 56.671 54.840 -0.184 0.000 0.755 88 L CB -1.959 39.850 42.059 -0.417 0.000 0.888 88 L HN -0.028 nan 8.230 nan 0.000 0.432 89 Y N -0.511 119.860 120.300 0.117 0.000 2.181 89 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 89 Y C 2.765 178.746 175.900 0.134 0.000 1.179 89 Y CA 1.380 59.553 58.100 0.121 0.000 1.179 89 Y CB -1.107 37.369 38.460 0.027 0.000 0.973 89 Y HN 0.320 nan 8.280 nan 0.000 0.519 90 Q N 0.913 120.826 119.800 0.189 0.000 1.985 90 Q HA -0.239 4.101 4.340 -0.000 0.000 0.207 90 Q C 2.442 178.498 176.000 0.094 0.000 0.996 90 Q CA 2.183 58.053 55.803 0.112 0.000 0.851 90 Q CB -0.581 28.185 28.738 0.046 0.000 0.921 90 Q HN 0.654 nan 8.270 nan 0.000 0.418 91 K N -0.763 119.658 120.400 0.036 0.000 2.063 91 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 91 K C 2.015 178.593 176.600 -0.038 0.000 1.048 91 K CA 1.540 57.798 56.287 -0.048 0.000 0.928 91 K CB -0.543 31.860 32.500 -0.163 0.000 0.713 91 K HN 0.178 nan 8.250 nan 0.000 0.442 92 Y N 1.010 121.364 120.300 0.091 0.000 2.293 92 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 92 Y C 2.651 178.711 175.900 0.266 0.000 1.137 92 Y CA 1.279 59.499 58.100 0.200 0.000 1.202 92 Y CB -0.208 38.338 38.460 0.144 0.000 0.990 92 Y HN 0.296 nan 8.280 nan 0.000 0.537 93 A N 0.140 123.152 122.820 0.320 0.000 1.873 93 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 93 A C 2.003 179.659 177.584 0.121 0.000 1.186 93 A CA 1.746 53.900 52.037 0.196 0.000 0.616 93 A CB -0.606 18.483 19.000 0.147 0.000 0.823 93 A HN 0.477 nan 8.150 nan 0.000 0.442 94 E N -0.687 119.574 120.200 0.101 0.000 2.118 94 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 94 E C 1.991 178.626 176.600 0.059 0.000 0.992 94 E CA 1.273 57.713 56.400 0.067 0.000 0.804 94 E CB -0.085 29.642 29.700 0.045 0.000 0.741 94 E HN 0.714 nan 8.360 nan 0.000 0.458 95 E N 0.853 121.096 120.200 0.070 0.000 2.049 95 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 95 E C 1.787 178.423 176.600 0.061 0.000 1.007 95 E CA 1.145 57.583 56.400 0.065 0.000 0.809 95 E CB -0.214 29.556 29.700 0.115 0.000 0.749 95 E HN 0.086 nan 8.360 nan 0.000 0.450 96 L N -0.037 121.213 121.223 0.045 0.000 2.083 96 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 96 L C 2.257 179.173 176.870 0.076 0.000 1.083 96 L CA 1.101 55.944 54.840 0.005 0.000 0.752 96 L CB -0.972 41.025 42.059 -0.103 0.000 0.899 96 L HN 0.250 nan 8.230 nan 0.000 0.433 97 L N -0.478 120.784 121.223 0.065 0.000 1.943 97 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 97 L C 1.595 178.503 176.870 0.065 0.000 1.074 97 L CA 1.639 56.521 54.840 0.070 0.000 0.759 97 L CB -0.658 41.438 42.059 0.061 0.000 0.888 97 L HN 0.051 nan 8.230 nan 0.000 0.433 98 K N -0.302 120.131 120.400 0.053 0.000 3.322 98 K HA 0.080 4.400 4.320 -0.000 0.000 0.291 98 K C 0.936 177.566 176.600 0.051 0.000 1.131 98 K CA 0.446 56.759 56.287 0.044 0.000 1.185 98 K CB -0.337 32.182 32.500 0.033 0.000 1.338 98 K HN 0.131 nan 8.250 nan 0.000 0.380 99 R N -1.857 118.685 120.500 0.070 0.000 2.435 99 R HA 0.072 4.412 4.340 -0.000 0.000 0.276 99 R C 0.360 176.726 176.300 0.110 0.000 0.866 99 R CA 0.624 56.787 56.100 0.105 0.000 1.085 99 R CB 0.951 31.332 30.300 0.135 0.000 1.751 99 R HN 0.402 nan 8.270 nan 0.000 0.463 100 G N 0.462 109.297 108.800 0.059 0.000 2.136 100 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 100 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 100 G C 0.078 174.927 174.900 -0.084 0.000 0.989 100 G CA 0.319 45.398 45.100 -0.035 0.000 0.682 100 G HN 0.356 nan 8.290 nan 0.000 0.522 101 W N 0.229 121.506 121.300 -0.039 0.000 3.008 101 W HA 0.697 5.357 4.660 -0.000 0.000 0.355 101 W C 0.669 177.162 176.519 -0.042 0.000 1.095 101 W CA 0.539 57.847 57.345 -0.062 0.000 1.738 101 W CB 0.662 30.032 29.460 -0.150 0.000 1.091 101 W HN 0.802 nan 8.180 nan 0.000 0.574 102 A N 0.452 123.382 122.820 0.184 0.000 2.609 102 A HA 0.684 5.004 4.320 -0.000 0.000 0.291 102 A C -2.032 175.662 177.584 0.184 0.000 1.096 102 A CA -0.535 51.572 52.037 0.116 0.000 0.684 102 A CB 1.270 20.282 19.000 0.021 0.000 1.282 102 A HN 0.178 nan 8.150 nan 0.000 0.412 103 Y N -1.228 119.090 120.300 0.029 0.000 2.571 103 Y HA 0.787 5.337 4.550 -0.000 0.000 0.341 103 Y C -0.458 175.446 175.900 0.006 0.000 1.076 103 Y CA -1.199 56.918 58.100 0.027 0.000 1.029 103 Y CB 1.072 39.558 38.460 0.042 0.000 1.308 103 Y HN 0.696 nan 8.280 nan 0.000 0.461 104 R N 1.936 122.493 120.500 0.095 0.000 2.390 104 R HA 0.788 5.128 4.340 -0.000 0.000 0.291 104 R C -0.786 175.468 176.300 -0.076 0.000 1.070 104 R CA -0.399 55.621 56.100 -0.132 0.000 1.014 104 R CB 1.235 31.336 30.300 -0.332 0.000 1.007 104 R HN 0.857 nan 8.270 nan 0.000 0.466 105 A N 2.159 124.797 122.820 -0.303 0.000 2.374 105 A HA 0.629 4.949 4.320 -0.000 0.000 0.317 105 A C -0.671 176.691 177.584 -0.370 0.000 1.094 105 A CA -0.705 51.275 52.037 -0.095 0.000 0.765 105 A CB 0.674 19.624 19.000 -0.083 0.000 1.268 105 A HN 0.736 nan 8.150 nan 0.000 0.438 106 F N -0.321 119.684 119.950 0.091 0.000 2.767 106 F HA 0.226 4.753 4.527 -0.000 0.000 0.323 106 F C 0.314 176.147 175.800 0.054 0.000 1.091 106 F CA -0.361 57.690 58.000 0.086 0.000 1.192 106 F CB -0.071 38.977 39.000 0.081 0.000 1.056 106 F HN 0.516 nan 8.300 nan 0.000 0.571 107 E N 1.694 122.017 120.200 0.205 0.000 2.652 107 E HA 0.047 4.397 4.350 -0.000 0.000 0.255 107 E C 0.796 177.441 176.600 0.074 0.000 0.952 107 E CA 0.305 56.786 56.400 0.135 0.000 0.947 107 E CB 0.022 29.791 29.700 0.116 0.000 0.912 107 E HN 0.235 nan 8.360 nan 0.000 0.489 108 T N 0.831 115.431 114.554 0.076 0.000 2.813 108 T HA 0.135 4.484 4.350 -0.000 0.000 0.297 108 T C -1.662 173.054 174.700 0.026 0.000 1.036 108 T CA -1.633 60.496 62.100 0.048 0.000 1.044 108 T CB 0.871 69.768 68.868 0.048 0.000 0.993 108 T HN 0.138 nan 8.240 nan 0.000 0.535 109 P HA -0.135 nan 4.420 nan 0.000 0.216 109 P C 1.244 178.554 177.300 0.016 0.000 1.154 109 P CA 1.269 64.371 63.100 0.003 0.000 0.865 109 P CB 0.026 31.725 31.700 -0.001 0.000 0.789 110 E N -0.425 119.789 120.200 0.023 0.000 2.047 110 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 110 E C 2.067 178.690 176.600 0.038 0.000 0.987 110 E CA 1.058 57.474 56.400 0.027 0.000 0.799 110 E CB -0.976 28.739 29.700 0.026 0.000 0.752 110 E HN 0.412 nan 8.360 nan 0.000 0.449 111 E N 0.663 120.892 120.200 0.047 0.000 2.085 111 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 111 E C 1.990 178.637 176.600 0.079 0.000 0.994 111 E CA 0.933 57.371 56.400 0.064 0.000 0.801 111 E CB -0.118 29.630 29.700 0.080 0.000 0.743 111 E HN 0.239 nan 8.360 nan 0.000 0.453 112 L N 0.683 121.948 121.223 0.070 0.000 2.042 112 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 112 L C 2.777 179.690 176.870 0.072 0.000 1.076 112 L CA 1.675 56.563 54.840 0.080 0.000 0.749 112 L CB -0.522 41.548 42.059 0.019 0.000 0.893 112 L HN 0.302 nan 8.230 nan 0.000 0.432 113 E N -0.329 119.899 120.200 0.047 0.000 2.118 113 E HA -0.294 4.055 4.350 -0.000 0.000 0.195 113 E C 2.187 178.814 176.600 0.045 0.000 0.992 113 E CA 1.276 57.700 56.400 0.040 0.000 0.804 113 E CB 0.158 29.875 29.700 0.029 0.000 0.741 113 E HN 0.341 nan 8.360 nan 0.000 0.458 114 Q N 0.551 120.381 119.800 0.049 0.000 2.046 114 Q HA -0.066 4.273 4.340 -0.000 0.000 0.200 114 Q C 2.175 178.208 176.000 0.055 0.000 0.975 114 Q CA 1.386 57.217 55.803 0.046 0.000 0.836 114 Q CB -0.216 28.549 28.738 0.044 0.000 0.896 114 Q HN 0.415 nan 8.270 nan 0.000 0.428 115 I N -0.248 120.370 120.570 0.080 0.000 2.151 115 I HA -0.348 3.821 4.170 -0.000 0.000 0.243 115 I C 2.348 178.511 176.117 0.077 0.000 1.080 115 I CA 1.452 62.807 61.300 0.093 0.000 1.339 115 I CB -0.328 37.777 38.000 0.176 0.000 1.039 115 I HN 0.131 nan 8.210 nan 0.000 0.409 116 R N 0.694 121.243 120.500 0.083 0.000 2.115 116 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 116 R C 2.364 178.690 176.300 0.042 0.000 1.111 116 R CA 1.227 57.366 56.100 0.065 0.000 0.976 116 R CB -0.106 30.230 30.300 0.061 0.000 0.870 116 R HN 0.308 nan 8.270 nan 0.000 0.445 117 K N 0.704 121.127 120.400 0.038 0.000 1.973 117 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 117 K C 1.639 178.252 176.600 0.023 0.000 1.045 117 K CA 1.621 57.924 56.287 0.027 0.000 0.937 117 K CB 0.098 32.613 32.500 0.026 0.000 0.721 117 K HN 0.109 nan 8.250 nan 0.000 0.438 118 E N 1.270 121.484 120.200 0.023 0.000 2.204 118 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 118 E C 0.029 176.636 176.600 0.012 0.000 0.989 118 E CA 0.961 57.371 56.400 0.016 0.000 0.824 118 E CB 0.029 29.739 29.700 0.015 0.000 0.756 118 E HN 0.357 nan 8.360 nan 0.000 0.477 119 K N 0.135 120.545 120.400 0.016 0.000 2.565 119 K HA 0.410 4.730 4.320 -0.000 0.000 0.249 119 K C 0.777 177.388 176.600 0.017 0.000 0.958 119 K CA -0.098 56.194 56.287 0.009 0.000 0.806 119 K CB 2.134 34.632 32.500 -0.003 0.000 1.194 119 K HN -0.045 nan 8.250 nan 0.000 0.434 120 G N 3.448 112.257 108.800 0.015 0.000 3.719 120 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.266 120 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.266 120 G C 0.471 175.392 174.900 0.036 0.000 0.902 120 G CA 1.266 46.379 45.100 0.021 0.000 0.775 120 G HN 0.913 nan 8.290 nan 0.000 1.342 121 G N -2.956 105.871 108.800 0.046 0.000 3.175 121 G HA2 0.521 4.480 3.960 -0.000 0.000 0.255 121 G HA3 0.521 4.480 3.960 -0.000 0.000 0.255 121 G C -0.666 174.305 174.900 0.118 0.000 1.352 121 G CA -0.084 45.065 45.100 0.081 0.000 1.037 121 G HN 0.715 nan 8.290 nan 0.000 0.556 122 Y N 0.814 121.128 120.300 0.023 0.000 2.861 122 Y HA 0.040 4.590 4.550 -0.000 0.000 0.344 122 Y C 1.010 176.932 175.900 0.037 0.000 1.272 122 Y CA 0.769 58.891 58.100 0.036 0.000 1.502 122 Y CB 0.858 39.344 38.460 0.044 0.000 1.333 122 Y HN 0.525 nan 8.280 nan 0.000 0.634 123 D N 1.387 121.406 120.400 -0.635 0.000 2.538 123 D HA 0.209 4.849 4.640 -0.000 0.000 0.231 123 D C 1.152 177.050 176.300 -0.672 0.000 1.229 123 D CA 0.192 53.903 54.000 -0.483 0.000 0.828 123 D CB -0.306 40.331 40.800 -0.271 0.000 1.035 123 D HN 0.887 nan 8.370 nan 0.000 0.495 124 G N 2.208 110.271 108.800 -1.229 0.000 2.296 124 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.282 124 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.282 124 G C 1.228 175.896 174.900 -0.387 0.000 1.014 124 G CA 0.863 45.641 45.100 -0.537 0.000 0.812 124 G HN 0.623 nan 8.290 nan 0.000 0.508 125 R N -0.753 119.477 120.500 -0.449 0.000 2.105 125 R HA 0.147 4.487 4.340 -0.000 0.000 0.239 125 R C 2.623 178.916 176.300 -0.012 0.000 1.135 125 R CA 1.742 57.749 56.100 -0.155 0.000 0.967 125 R CB -0.648 29.607 30.300 -0.075 0.000 0.861 125 R HN 0.803 nan 8.270 nan 0.000 0.442 126 A N 1.415 124.362 122.820 0.212 0.000 2.178 126 A HA -0.067 4.252 4.320 -0.000 0.000 0.218 126 A C 2.075 179.641 177.584 -0.031 0.000 1.157 126 A CA 0.968 53.172 52.037 0.278 0.000 0.689 126 A CB -0.508 18.858 19.000 0.609 0.000 0.787 126 A HN 0.366 nan 8.150 nan 0.000 0.465 127 R N -0.051 120.196 120.500 -0.422 0.000 2.241 127 R HA -0.060 4.280 4.340 -0.000 0.000 0.224 127 R C 0.569 176.705 176.300 -0.274 0.000 1.101 127 R CA 1.052 56.749 56.100 -0.671 0.000 0.995 127 R CB -0.083 29.817 30.300 -0.667 0.000 0.870 127 R HN 0.468 nan 8.270 nan 0.000 0.463 128 N N 0.141 118.750 118.700 -0.152 0.000 2.370 128 N HA 0.050 4.790 4.740 -0.000 0.000 0.198 128 N C -0.271 175.214 175.510 -0.041 0.000 1.156 128 N CA 0.458 53.455 53.050 -0.087 0.000 0.839 128 N CB 0.351 38.798 38.487 -0.068 0.000 0.989 128 N HN 0.199 nan 8.380 nan 0.000 0.468 129 I N 1.858 122.422 120.570 -0.010 0.000 2.396 129 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 129 I C -2.088 174.036 176.117 0.012 0.000 0.999 129 I CA -2.063 59.248 61.300 0.019 0.000 1.310 129 I CB 1.061 39.114 38.000 0.089 0.000 1.404 129 I HN -0.309 nan 8.210 nan 0.000 0.496 130 P HA 0.143 nan 4.420 nan 0.000 0.271 130 P C -2.134 175.175 177.300 0.016 0.000 1.220 130 P CA -1.215 61.883 63.100 -0.004 0.000 0.768 130 P CB 0.130 31.822 31.700 -0.014 0.000 0.848 131 P HA -0.250 nan 4.420 nan 0.000 0.218 131 P C 1.452 178.770 177.300 0.030 0.000 1.154 131 P CA 1.536 64.657 63.100 0.035 0.000 0.872 131 P CB 0.079 31.793 31.700 0.023 0.000 0.790 132 E N -0.561 119.647 120.200 0.014 0.000 2.106 132 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 132 E C 2.002 178.604 176.600 0.003 0.000 0.984 132 E CA 1.032 57.437 56.400 0.008 0.000 0.806 132 E CB -0.479 29.221 29.700 0.000 0.000 0.750 132 E HN 0.391 nan 8.360 nan 0.000 0.458 133 E N -0.018 120.179 120.200 -0.006 0.000 2.047 133 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 133 E C 1.951 178.533 176.600 -0.030 0.000 0.987 133 E CA 1.008 57.388 56.400 -0.033 0.000 0.799 133 E CB -0.046 29.624 29.700 -0.050 0.000 0.752 133 E HN 0.165 nan 8.360 nan 0.000 0.449 134 A N 1.321 124.161 122.820 0.033 0.000 1.908 134 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 134 A C 2.035 179.692 177.584 0.122 0.000 1.181 134 A CA 1.595 53.726 52.037 0.158 0.000 0.627 134 A CB -0.529 18.610 19.000 0.232 0.000 0.818 134 A HN 0.226 nan 8.150 nan 0.000 0.445 135 E N -0.117 120.119 120.200 0.060 0.000 2.058 135 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 135 E C 2.013 178.634 176.600 0.036 0.000 0.997 135 E CA 1.365 57.789 56.400 0.040 0.000 0.801 135 E CB -0.452 29.267 29.700 0.032 0.000 0.746 135 E HN 0.856 nan 8.360 nan 0.000 0.450 136 E N 1.139 121.350 120.200 0.019 0.000 2.012 136 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 136 E C 2.054 178.662 176.600 0.013 0.000 1.007 136 E CA 1.242 57.647 56.400 0.008 0.000 0.816 136 E CB -0.141 29.551 29.700 -0.014 0.000 0.762 136 E HN 0.069 nan 8.360 nan 0.000 0.451 137 R N 0.481 120.967 120.500 -0.023 0.000 2.154 137 R HA -0.169 4.171 4.340 -0.000 0.000 0.248 137 R C 2.443 178.824 176.300 0.136 0.000 1.155 137 R CA 1.644 57.726 56.100 -0.030 0.000 0.979 137 R CB -0.527 29.582 30.300 -0.319 0.000 0.869 137 R HN 0.341 nan 8.270 nan 0.000 0.452 138 A N 0.677 123.580 122.820 0.138 0.000 1.855 138 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 138 A C 2.109 179.788 177.584 0.159 0.000 1.191 138 A CA 1.313 53.433 52.037 0.138 0.000 0.613 138 A CB -0.465 18.525 19.000 -0.017 0.000 0.829 138 A HN 0.215 nan 8.150 nan 0.000 0.442 139 R N -0.343 120.215 120.500 0.096 0.000 2.096 139 R HA -0.140 4.200 4.340 -0.000 0.000 0.240 139 R C 1.345 177.691 176.300 0.077 0.000 1.139 139 R CA 1.486 57.632 56.100 0.077 0.000 0.952 139 R CB -0.202 30.127 30.300 0.049 0.000 0.854 139 R HN 0.343 nan 8.270 nan 0.000 0.436 140 R N 0.198 120.740 120.500 0.070 0.000 2.389 140 R HA 0.017 4.357 4.340 -0.000 0.000 0.210 140 R C 0.858 177.211 176.300 0.088 0.000 1.157 140 R CA 0.788 56.924 56.100 0.061 0.000 1.169 140 R CB -1.154 29.170 30.300 0.040 0.000 1.004 140 R HN 0.529 nan 8.270 nan 0.000 0.482 141 G N 1.601 110.470 108.800 0.115 0.000 2.296 141 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.282 141 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.282 141 G C 0.015 175.014 174.900 0.166 0.000 1.014 141 G CA 0.756 45.935 45.100 0.130 0.000 0.812 141 G HN 0.600 nan 8.290 nan 0.000 0.508 142 E N 1.312 121.650 120.200 0.230 0.000 2.344 142 E HA 0.345 4.694 4.350 -0.000 0.000 0.270 142 E C -1.625 175.230 176.600 0.424 0.000 1.021 142 E CA -1.892 54.681 56.400 0.288 0.000 0.887 142 E CB 0.831 30.707 29.700 0.293 0.000 0.997 142 E HN 0.215 nan 8.360 nan 0.000 0.429 143 P HA -0.014 nan 4.420 nan 0.000 0.266 143 P C -0.989 176.419 177.300 0.179 0.000 1.195 143 P CA 0.621 63.804 63.100 0.139 0.000 0.768 143 P CB 0.437 32.185 31.700 0.080 0.000 0.838 144 H N -0.354 118.636 119.070 -0.132 0.000 2.904 144 H HA 0.459 5.015 4.556 -0.000 0.000 0.290 144 H C -1.319 173.835 175.328 -0.289 0.000 1.437 144 H CA -0.982 54.837 56.048 -0.380 0.000 1.147 144 H CB 0.509 29.694 29.762 -0.961 0.000 1.824 144 H HN 0.274 nan 8.280 nan 0.000 0.505 145 V N -0.795 118.986 119.914 -0.221 0.000 3.103 145 V HA 0.645 4.765 4.120 -0.000 0.000 0.318 145 V C -0.001 176.000 176.094 -0.156 0.000 1.114 145 V CA -1.124 61.056 62.300 -0.199 0.000 1.020 145 V CB 2.143 33.841 31.823 -0.208 0.000 1.085 145 V HN 0.646 nan 8.190 nan 0.000 0.446 146 I N 1.846 122.326 120.570 -0.149 0.000 2.437 146 I HA 0.509 4.679 4.170 -0.000 0.000 0.279 146 I C -0.046 175.928 176.117 -0.239 0.000 1.028 146 I CA -0.305 60.901 61.300 -0.157 0.000 1.142 146 I CB 1.213 39.178 38.000 -0.057 0.000 1.266 146 I HN 0.729 nan 8.210 nan 0.000 0.461 147 R N 3.860 124.090 120.500 -0.449 0.000 2.500 147 R HA 0.510 4.850 4.340 -0.000 0.000 0.277 147 R C -0.372 175.697 176.300 -0.386 0.000 1.026 147 R CA -0.921 54.896 56.100 -0.472 0.000 1.058 147 R CB 1.643 31.558 30.300 -0.641 0.000 1.078 147 R HN 0.411 nan 8.270 nan 0.000 0.509 148 L N 1.526 122.639 121.223 -0.184 0.000 2.410 148 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 148 L C -0.103 176.824 176.870 0.094 0.000 1.152 148 L CA 0.517 55.331 54.840 -0.043 0.000 0.855 148 L CB 0.458 42.486 42.059 -0.052 0.000 1.129 148 L HN 0.469 nan 8.230 nan 0.000 0.463 149 K N 4.933 125.459 120.400 0.210 0.000 2.187 149 K HA 0.249 4.569 4.320 -0.000 0.000 0.242 149 K C -0.905 175.787 176.600 0.153 0.000 1.179 149 K CA -0.491 55.962 56.287 0.276 0.000 1.097 149 K CB 0.139 32.776 32.500 0.228 0.000 1.634 149 K HN 0.622 nan 8.250 nan 0.000 0.335 150 V N 5.136 125.135 119.914 0.142 0.000 2.599 150 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 150 V C -2.007 174.111 176.094 0.039 0.000 1.034 150 V CA -1.263 61.098 62.300 0.101 0.000 1.115 150 V CB 0.692 32.556 31.823 0.068 0.000 0.934 150 V HN 0.622 nan 8.190 nan 0.000 0.485 151 P HA 0.162 nan 4.420 nan 0.000 0.263 151 P C 0.424 177.718 177.300 -0.010 0.000 1.276 151 P CA -0.121 62.958 63.100 -0.034 0.000 0.986 151 P CB 0.397 32.086 31.700 -0.019 0.000 1.105 152 R N 5.110 125.595 120.500 -0.024 0.000 2.122 152 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 152 R C -0.860 175.433 176.300 -0.011 0.000 1.129 152 R CA 1.867 57.956 56.100 -0.017 0.000 0.925 152 R CB -2.260 28.018 30.300 -0.036 0.000 0.850 152 R HN 0.452 nan 8.270 nan 0.000 0.431 153 P HA 0.218 nan 4.420 nan 0.000 0.263 153 P C -0.476 176.824 177.300 0.001 0.000 1.601 153 P CA 0.641 63.734 63.100 -0.012 0.000 1.161 153 P CB 0.729 32.416 31.700 -0.021 0.000 1.730 154 G N 0.532 109.341 108.800 0.015 0.000 2.428 154 G HA2 0.472 4.432 3.960 -0.000 0.000 0.304 154 G HA3 0.472 4.432 3.960 -0.000 0.000 0.304 154 G C -1.812 173.115 174.900 0.046 0.000 1.303 154 G CA -0.335 44.783 45.100 0.029 0.000 0.825 154 G HN 0.364 nan 8.290 nan 0.000 0.484 155 T N -0.785 113.805 114.554 0.059 0.000 2.916 155 T HA 0.714 5.063 4.350 -0.000 0.000 0.305 155 T C -1.187 173.574 174.700 0.101 0.000 1.119 155 T CA -0.176 61.971 62.100 0.079 0.000 1.008 155 T CB 1.830 70.734 68.868 0.061 0.000 1.129 155 T HN 0.690 nan 8.240 nan 0.000 0.480 156 T N 3.617 118.254 114.554 0.138 0.000 2.841 156 T HA 0.422 4.772 4.350 -0.000 0.000 0.285 156 T C -0.780 174.038 174.700 0.197 0.000 0.991 156 T CA -0.647 61.546 62.100 0.155 0.000 0.966 156 T CB 1.528 70.479 68.868 0.138 0.000 0.962 156 T HN 0.573 nan 8.240 nan 0.000 0.438 157 E N 2.444 122.739 120.200 0.158 0.000 2.167 157 E HA 0.474 4.824 4.350 -0.000 0.000 0.284 157 E C -0.843 175.869 176.600 0.186 0.000 1.016 157 E CA -0.412 56.078 56.400 0.150 0.000 0.817 157 E CB 1.031 30.793 29.700 0.102 0.000 1.080 157 E HN 0.309 nan 8.360 nan 0.000 0.397 158 V N 4.408 124.453 119.914 0.219 0.000 2.628 158 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 158 V C -0.093 176.106 176.094 0.175 0.000 1.045 158 V CA -0.823 61.619 62.300 0.237 0.000 0.905 158 V CB 1.968 33.987 31.823 0.327 0.000 0.997 158 V HN 0.488 nan 8.190 nan 0.000 0.436 159 K N 3.247 123.757 120.400 0.182 0.000 2.559 159 K HA 0.259 4.579 4.320 -0.000 0.000 0.249 159 K C -1.139 175.519 176.600 0.096 0.000 0.958 159 K CA -0.401 55.951 56.287 0.108 0.000 0.901 159 K CB 1.364 33.900 32.500 0.060 0.000 1.124 159 K HN 0.891 nan 8.250 nan 0.000 0.437 160 D N 3.536 123.975 120.400 0.064 0.000 2.312 160 D HA 0.011 4.651 4.640 -0.000 0.000 0.252 160 D C 0.626 176.829 176.300 -0.162 0.000 1.150 160 D CA 0.048 54.053 54.000 0.008 0.000 0.870 160 D CB 1.279 42.133 40.800 0.090 0.000 1.153 160 D HN 0.478 nan 8.370 nan 0.000 0.457 161 E N 3.050 122.994 120.200 -0.426 0.000 2.265 161 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 161 E C 1.570 177.958 176.600 -0.354 0.000 0.996 161 E CA 0.636 56.707 56.400 -0.547 0.000 0.832 161 E CB 0.225 29.157 29.700 -1.280 0.000 0.756 161 E HN 0.635 nan 8.360 nan 0.000 0.491 162 L N -1.188 119.868 121.223 -0.279 0.000 2.425 162 L HA 0.151 4.491 4.340 -0.000 0.000 0.215 162 L C 2.128 178.972 176.870 -0.045 0.000 1.065 162 L CA 0.296 55.062 54.840 -0.123 0.000 0.842 162 L CB 0.077 42.086 42.059 -0.083 0.000 1.033 162 L HN -0.082 nan 8.230 nan 0.000 0.474 163 R N -0.290 120.189 120.500 -0.035 0.000 2.254 163 R HA 0.321 4.661 4.340 -0.000 0.000 0.193 163 R C 0.691 176.984 176.300 -0.012 0.000 0.929 163 R CA 0.503 56.599 56.100 -0.005 0.000 1.038 163 R CB 0.874 31.184 30.300 0.016 0.000 1.009 163 R HN 0.343 nan 8.270 nan 0.000 0.512 164 G N 0.109 108.895 108.800 -0.024 0.000 2.428 164 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.202 164 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.202 164 G C -0.926 173.973 174.900 -0.001 0.000 1.247 164 G CA -0.565 44.525 45.100 -0.018 0.000 1.020 164 G HN 0.059 nan 8.290 nan 0.000 0.529 165 V N -0.873 119.041 119.914 0.000 0.000 2.461 165 V HA 0.620 4.740 4.120 -0.000 0.000 0.275 165 V C 0.607 176.693 176.094 -0.013 0.000 1.047 165 V CA -0.637 61.671 62.300 0.012 0.000 0.955 165 V CB 1.215 33.046 31.823 0.015 0.000 0.988 165 V HN 1.204 nan 8.190 nan 0.000 0.471 166 V N 5.209 125.115 119.914 -0.014 0.000 2.289 166 V HA 0.256 4.376 4.120 -0.000 0.000 0.272 166 V C 0.223 176.199 176.094 -0.197 0.000 1.026 166 V CA -0.545 61.676 62.300 -0.132 0.000 0.807 166 V CB 1.065 32.789 31.823 -0.165 0.000 1.044 166 V HN 0.706 nan 8.190 nan 0.000 0.443 167 V N 4.595 124.418 119.914 -0.151 0.000 2.763 167 V HA 0.179 4.299 4.120 -0.000 0.000 0.306 167 V C -0.300 175.651 176.094 -0.238 0.000 1.059 167 V CA 0.491 62.739 62.300 -0.086 0.000 1.138 167 V CB 0.587 32.387 31.823 -0.038 0.000 0.940 167 V HN 0.679 nan 8.190 nan 0.000 0.489 168 Y N 1.429 121.742 120.300 0.022 0.000 2.562 168 Y HA 0.453 5.003 4.550 -0.000 0.000 0.343 168 Y C -0.003 175.907 175.900 0.017 0.000 1.025 168 Y CA -1.111 56.999 58.100 0.016 0.000 1.082 168 Y CB 1.641 40.111 38.460 0.017 0.000 1.264 168 Y HN 0.565 nan 8.280 nan 0.000 0.478 169 D N 0.721 121.237 120.400 0.195 0.000 2.329 169 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 169 D C 0.461 176.826 176.300 0.109 0.000 1.088 169 D CA 0.020 54.088 54.000 0.113 0.000 0.835 169 D CB 0.534 41.376 40.800 0.070 0.000 1.078 169 D HN 0.606 nan 8.370 nan 0.000 0.495 170 N N 2.231 120.981 118.700 0.083 0.000 2.322 170 N HA -0.242 4.498 4.740 -0.000 0.000 0.189 170 N C 0.869 176.404 175.510 0.041 0.000 1.012 170 N CA 0.653 53.738 53.050 0.058 0.000 0.880 170 N CB 0.227 38.743 38.487 0.048 0.000 0.967 170 N HN 0.442 nan 8.380 nan 0.000 0.439 171 Q N 1.063 120.887 119.800 0.040 0.000 2.181 171 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 171 Q C 1.270 177.290 176.000 0.032 0.000 0.980 171 Q CA 1.214 57.034 55.803 0.028 0.000 0.862 171 Q CB -0.084 28.668 28.738 0.024 0.000 0.905 171 Q HN 0.544 nan 8.270 nan 0.000 0.429 172 E N -0.692 119.539 120.200 0.052 0.000 2.371 172 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 172 E C -0.155 176.457 176.600 0.020 0.000 1.012 172 E CA 0.007 56.441 56.400 0.056 0.000 0.860 172 E CB 0.283 30.054 29.700 0.119 0.000 0.811 172 E HN 0.290 nan 8.360 nan 0.000 0.502 173 I N 3.642 124.216 120.570 0.006 0.000 2.315 173 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 173 I C -2.117 173.989 176.117 -0.018 0.000 1.006 173 I CA -2.411 58.867 61.300 -0.038 0.000 1.265 173 I CB 0.873 38.842 38.000 -0.053 0.000 1.387 173 I HN -0.149 nan 8.210 nan 0.000 0.475 174 P HA 0.181 nan 4.420 nan 0.000 0.279 174 P C -0.964 176.340 177.300 0.006 0.000 1.276 174 P CA -0.472 62.632 63.100 0.006 0.000 0.801 174 P CB 0.865 32.568 31.700 0.005 0.000 1.127 175 D N 0.262 120.711 120.400 0.082 0.000 2.767 175 D HA 0.130 4.770 4.640 -0.000 0.000 0.241 175 D C 0.033 176.324 176.300 -0.014 0.000 1.187 175 D CA -0.191 53.863 54.000 0.090 0.000 0.999 175 D CB -0.594 40.382 40.800 0.293 0.000 1.042 175 D HN 0.111 nan 8.370 nan 0.000 0.510 176 V N -0.450 119.399 119.914 -0.108 0.000 2.644 176 V HA -0.026 4.094 4.120 -0.000 0.000 0.305 176 V C 0.930 176.921 176.094 -0.172 0.000 1.053 176 V CA -0.867 61.325 62.300 -0.181 0.000 1.186 176 V CB 0.530 32.118 31.823 -0.391 0.000 0.895 176 V HN 0.145 nan 8.190 nan 0.000 0.490 177 V N 5.906 125.731 119.914 -0.147 0.000 2.585 177 V HA 0.241 4.360 4.120 -0.000 0.000 0.296 177 V C 0.795 176.842 176.094 -0.079 0.000 1.035 177 V CA 0.465 62.679 62.300 -0.144 0.000 1.084 177 V CB 0.562 32.302 31.823 -0.138 0.000 0.953 177 V HN 0.923 nan 8.190 nan 0.000 0.483 178 L N 4.608 125.786 121.223 -0.075 0.000 2.349 178 L HA 0.370 4.710 4.340 -0.000 0.000 0.200 178 L C 0.827 177.693 176.870 -0.007 0.000 1.064 178 L CA 0.231 55.060 54.840 -0.017 0.000 0.821 178 L CB 0.030 42.081 42.059 -0.012 0.000 1.027 178 L HN 0.475 nan 8.230 nan 0.000 0.476 179 L N 1.506 122.714 121.223 -0.025 0.000 2.305 179 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 179 L C -0.356 176.485 176.870 -0.048 0.000 1.013 179 L CA -0.307 54.525 54.840 -0.013 0.000 0.819 179 L CB 1.606 43.667 42.059 0.004 0.000 1.227 179 L HN 0.154 nan 8.230 nan 0.000 0.417 180 K N 1.868 122.255 120.400 -0.022 0.000 2.118 180 K HA 0.180 4.500 4.320 -0.000 0.000 0.240 180 K C 1.121 177.674 176.600 -0.078 0.000 1.035 180 K CA -0.478 55.781 56.287 -0.046 0.000 0.899 180 K CB 0.892 33.383 32.500 -0.015 0.000 1.085 180 K HN 0.493 nan 8.250 nan 0.000 0.498 181 S N 1.643 117.281 115.700 -0.103 0.000 2.374 181 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 181 S C 1.163 175.712 174.600 -0.086 0.000 1.037 181 S CA 2.030 60.150 58.200 -0.133 0.000 1.024 181 S CB -0.407 62.735 63.200 -0.098 0.000 0.861 181 S HN 0.766 nan 8.310 nan 0.000 0.456 182 D N 0.253 120.631 120.400 -0.036 0.000 2.371 182 D HA 0.140 4.780 4.640 -0.000 0.000 0.234 182 D C 1.179 177.593 176.300 0.189 0.000 1.049 182 D CA 0.810 54.823 54.000 0.022 0.000 0.907 182 D CB -0.972 39.766 40.800 -0.102 0.000 0.891 182 D HN 0.433 nan 8.370 nan 0.000 0.531 183 G N -0.881 107.983 108.800 0.106 0.000 2.184 183 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.264 183 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.264 183 G C -0.101 174.894 174.900 0.158 0.000 0.975 183 G CA 0.257 45.419 45.100 0.103 0.000 0.642 183 G HN 0.497 nan 8.290 nan 0.000 0.536 184 Y N 1.509 121.787 120.300 -0.037 0.000 2.310 184 Y HA 0.505 5.055 4.550 -0.000 0.000 0.326 184 Y C -1.438 174.420 175.900 -0.071 0.000 1.151 184 Y CA -2.147 55.928 58.100 -0.042 0.000 1.195 184 Y CB 1.829 40.260 38.460 -0.049 0.000 1.210 184 Y HN 0.050 nan 8.280 nan 0.000 0.483 185 P HA 0.194 nan 4.420 nan 0.000 0.284 185 P C -0.771 176.494 177.300 -0.058 0.000 1.292 185 P CA -0.477 62.570 63.100 -0.089 0.000 0.800 185 P CB 1.224 32.740 31.700 -0.307 0.000 1.188 186 T N -4.091 110.446 114.554 -0.028 0.000 2.950 186 T HA 0.230 4.579 4.350 -0.000 0.000 0.288 186 T C 0.941 175.655 174.700 0.024 0.000 1.035 186 T CA -0.413 61.716 62.100 0.049 0.000 1.028 186 T CB 0.405 69.367 68.868 0.156 0.000 1.109 186 T HN 0.335 nan 8.240 nan 0.000 0.514 187 Y N 1.626 121.856 120.300 -0.117 0.000 2.096 187 Y HA -0.345 4.205 4.550 -0.000 0.000 0.276 187 Y C 2.278 178.079 175.900 -0.164 0.000 1.209 187 Y CA 2.528 60.487 58.100 -0.233 0.000 1.137 187 Y CB -1.125 37.101 38.460 -0.390 0.000 0.956 187 Y HN 0.967 nan 8.280 nan 0.000 0.506 188 H N -0.839 118.280 119.070 0.082 0.000 2.289 188 H HA -0.249 4.307 4.556 -0.000 0.000 0.294 188 H C 2.485 177.799 175.328 -0.023 0.000 1.095 188 H CA 2.139 58.261 56.048 0.123 0.000 1.256 188 H CB -0.579 29.235 29.762 0.086 0.000 1.359 188 H HN 0.391 nan 8.280 nan 0.000 0.487 189 L N -0.042 121.228 121.223 0.080 0.000 1.988 189 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 189 L C 2.453 179.299 176.870 -0.040 0.000 1.071 189 L CA 1.408 56.273 54.840 0.042 0.000 0.744 189 L CB -0.612 41.471 42.059 0.040 0.000 0.893 189 L HN 0.400 nan 8.230 nan 0.000 0.433 190 A N 0.495 123.192 122.820 -0.205 0.000 2.015 190 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 190 A C 1.992 179.460 177.584 -0.194 0.000 1.163 190 A CA 1.533 53.421 52.037 -0.248 0.000 0.646 190 A CB -0.882 17.757 19.000 -0.601 0.000 0.806 190 A HN 0.771 nan 8.150 nan 0.000 0.448 191 N N 0.501 118.959 118.700 -0.403 0.000 2.106 191 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 191 N C 1.587 176.926 175.510 -0.284 0.000 1.029 191 N CA 2.109 54.854 53.050 -0.509 0.000 0.848 191 N CB -0.559 37.163 38.487 -1.275 0.000 1.007 191 N HN 0.225 nan 8.380 nan 0.000 0.423 192 V N 1.288 121.040 119.914 -0.270 0.000 2.358 192 V HA -0.156 3.963 4.120 -0.000 0.000 0.246 192 V C 2.786 178.772 176.094 -0.179 0.000 1.047 192 V CA 1.154 63.269 62.300 -0.308 0.000 1.035 192 V CB -0.348 31.211 31.823 -0.440 0.000 0.658 192 V HN 0.157 nan 8.190 nan 0.000 0.452 193 V N 0.313 120.135 119.914 -0.153 0.000 2.237 193 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 193 V C 2.252 178.232 176.094 -0.190 0.000 1.046 193 V CA 2.329 64.465 62.300 -0.274 0.000 1.007 193 V CB -0.737 30.950 31.823 -0.227 0.000 0.638 193 V HN 0.527 nan 8.190 nan 0.000 0.445 194 D N -0.348 120.002 120.400 -0.083 0.000 2.183 194 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 194 D C 1.917 178.173 176.300 -0.073 0.000 0.969 194 D CA 1.040 54.993 54.000 -0.078 0.000 0.842 194 D CB -0.376 40.413 40.800 -0.018 0.000 0.957 194 D HN 0.377 nan 8.370 nan 0.000 0.484 195 D N -0.380 119.999 120.400 -0.036 0.000 2.117 195 D HA -0.160 4.479 4.640 -0.000 0.000 0.197 195 D C 1.909 178.207 176.300 -0.003 0.000 0.987 195 D CA 0.884 54.897 54.000 0.020 0.000 0.829 195 D CB -0.235 40.634 40.800 0.114 0.000 0.961 195 D HN 0.389 nan 8.370 nan 0.000 0.460 196 H N 0.266 119.251 119.070 -0.141 0.000 2.307 196 H HA -0.049 4.507 4.556 -0.000 0.000 0.303 196 H C 2.011 177.096 175.328 -0.404 0.000 1.073 196 H CA 0.694 56.543 56.048 -0.333 0.000 1.338 196 H CB -0.296 29.072 29.762 -0.656 0.000 1.389 196 H HN 0.012 nan 8.280 nan 0.000 0.503 197 L N 0.856 121.896 121.223 -0.304 0.000 2.127 197 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 197 L C 2.629 179.333 176.870 -0.276 0.000 1.089 197 L CA 1.367 56.014 54.840 -0.321 0.000 0.757 197 L CB -0.792 41.148 42.059 -0.200 0.000 0.899 197 L HN 0.339 nan 8.230 nan 0.000 0.434 198 M N -1.763 117.715 119.600 -0.203 0.000 2.561 198 M HA 0.166 4.646 4.480 -0.000 0.000 0.238 198 M C 1.119 177.347 176.300 -0.120 0.000 1.131 198 M CA 0.630 55.854 55.300 -0.128 0.000 1.046 198 M CB 0.141 32.705 32.600 -0.060 0.000 1.532 198 M HN 0.352 nan 8.290 nan 0.000 0.497 199 G N 1.603 110.283 108.800 -0.201 0.000 2.198 199 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.257 199 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.257 199 G C 0.015 174.853 174.900 -0.103 0.000 1.042 199 G CA 0.236 45.224 45.100 -0.187 0.000 0.791 199 G HN 0.561 nan 8.290 nan 0.000 0.502 200 V N -0.394 119.482 119.914 -0.064 0.000 2.508 200 V HA 0.739 4.859 4.120 -0.000 0.000 0.281 200 V C 1.281 177.352 176.094 -0.037 0.000 1.041 200 V CA 1.273 63.570 62.300 -0.005 0.000 1.016 200 V CB 1.151 33.004 31.823 0.051 0.000 0.984 200 V HN 1.058 nan 8.190 nan 0.000 0.478 201 T N 1.229 115.776 114.554 -0.012 0.000 3.023 201 T HA 0.265 4.615 4.350 -0.000 0.000 0.249 201 T C 0.205 174.911 174.700 0.011 0.000 1.050 201 T CA 0.552 62.632 62.100 -0.033 0.000 1.088 201 T CB -0.247 68.615 68.868 -0.010 0.000 0.946 201 T HN 0.737 nan 8.240 nan 0.000 0.480 202 D N 0.901 121.374 120.400 0.123 0.000 2.481 202 D HA 0.543 5.183 4.640 -0.000 0.000 0.246 202 D C -1.428 174.998 176.300 0.209 0.000 1.109 202 D CA -0.472 53.676 54.000 0.248 0.000 0.845 202 D CB 2.386 43.509 40.800 0.539 0.000 1.160 202 D HN 0.022 nan 8.370 nan 0.000 0.534 203 V N 4.114 124.108 119.914 0.134 0.000 2.320 203 V HA 0.294 4.413 4.120 -0.000 0.000 0.265 203 V C -0.112 176.146 176.094 0.273 0.000 1.048 203 V CA -0.430 61.998 62.300 0.214 0.000 0.865 203 V CB 0.340 32.348 31.823 0.308 0.000 1.043 203 V HN 0.528 nan 8.190 nan 0.000 0.474 204 I N 7.706 128.412 120.570 0.227 0.000 2.306 204 I HA 0.542 4.711 4.170 -0.000 0.000 0.288 204 I C 0.427 176.636 176.117 0.154 0.000 1.036 204 I CA -0.148 61.252 61.300 0.167 0.000 1.221 204 I CB 0.397 38.497 38.000 0.166 0.000 1.385 204 I HN 0.634 nan 8.210 nan 0.000 0.472 205 R N 5.473 126.059 120.500 0.144 0.000 2.869 205 R HA 0.831 5.170 4.340 -0.000 0.000 0.263 205 R C -1.072 175.426 176.300 0.330 0.000 1.066 205 R CA -0.847 55.410 56.100 0.262 0.000 0.960 205 R CB 1.325 31.838 30.300 0.355 0.000 1.221 205 R HN 0.409 nan 8.270 nan 0.000 0.474 206 A N 0.792 123.866 122.820 0.423 0.000 2.462 206 A HA 0.052 4.372 4.320 -0.000 0.000 0.243 206 A C 1.057 178.752 177.584 0.185 0.000 1.076 206 A CA 0.120 52.297 52.037 0.234 0.000 0.773 206 A CB 0.163 19.249 19.000 0.144 0.000 1.010 206 A HN 0.970 nan 8.150 nan 0.000 0.493 207 E N 0.943 121.193 120.200 0.084 0.000 2.233 207 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 207 E C 1.600 178.061 176.600 -0.232 0.000 1.004 207 E CA 1.679 58.069 56.400 -0.017 0.000 0.819 207 E CB -0.017 29.674 29.700 -0.016 0.000 0.738 207 E HN 0.915 nan 8.360 nan 0.000 0.478 208 E N -0.325 119.635 120.200 -0.400 0.000 2.136 208 E HA -0.220 4.130 4.350 -0.000 0.000 0.208 208 E C 0.921 177.087 176.600 -0.724 0.000 1.035 208 E CA 2.086 58.049 56.400 -0.729 0.000 0.838 208 E CB -0.270 28.683 29.700 -1.245 0.000 0.748 208 E HN 0.444 nan 8.360 nan 0.000 0.459 209 W N 0.394 121.659 121.300 -0.058 0.000 3.400 209 W HA 0.166 4.826 4.660 -0.000 0.000 0.347 209 W C 1.391 177.811 176.519 -0.165 0.000 1.218 209 W CA -0.919 56.405 57.345 -0.035 0.000 1.837 209 W CB -0.112 29.384 29.460 0.060 0.000 1.067 209 W HN 0.151 nan 8.180 nan 0.000 0.701 210 L N 1.824 122.833 121.223 -0.355 0.000 1.955 210 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 210 L C 2.263 179.026 176.870 -0.178 0.000 1.072 210 L CA 2.311 56.783 54.840 -0.613 0.000 0.755 210 L CB -1.250 40.519 42.059 -0.483 0.000 0.888 210 L HN 0.103 nan 8.230 nan 0.000 0.432 211 V N -1.438 118.426 119.914 -0.082 0.000 2.688 211 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 211 V C 2.575 178.589 176.094 -0.133 0.000 1.084 211 V CA 1.604 63.866 62.300 -0.064 0.000 1.103 211 V CB -1.950 29.868 31.823 -0.010 0.000 0.688 211 V HN 0.676 nan 8.190 nan 0.000 0.480 212 S N -0.403 115.314 115.700 0.029 0.000 2.527 212 S HA -0.105 4.365 4.470 -0.000 0.000 0.222 212 S C 1.730 176.351 174.600 0.034 0.000 0.985 212 S CA 1.088 59.364 58.200 0.128 0.000 0.921 212 S CB -0.610 62.860 63.200 0.450 0.000 0.772 212 S HN 0.583 nan 8.310 nan 0.000 0.529 213 T N 3.778 118.373 114.554 0.068 0.000 2.746 213 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 213 T C -0.709 173.939 174.700 -0.086 0.000 1.039 213 T CA 1.533 63.666 62.100 0.056 0.000 1.142 213 T CB -1.280 67.501 68.868 -0.145 0.000 0.866 213 T HN 0.521 nan 8.240 nan 0.000 0.444 214 P HA -0.018 nan 4.420 nan 0.000 0.219 214 P C 1.451 178.651 177.300 -0.168 0.000 1.146 214 P CA 0.987 63.951 63.100 -0.227 0.000 0.808 214 P CB -0.314 31.040 31.700 -0.577 0.000 0.779 215 I N -0.710 119.687 120.570 -0.288 0.000 2.252 215 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 215 I C 2.741 178.704 176.117 -0.256 0.000 1.102 215 I CA 1.231 62.340 61.300 -0.317 0.000 1.385 215 I CB -0.992 36.721 38.000 -0.479 0.000 1.064 215 I HN 0.041 nan 8.210 nan 0.000 0.414 216 H N 0.802 119.914 119.070 0.069 0.000 2.326 216 H HA -0.079 4.476 4.556 -0.000 0.000 0.301 216 H C 2.516 177.984 175.328 0.234 0.000 1.081 216 H CA 1.940 58.051 56.048 0.105 0.000 1.334 216 H CB -0.725 29.122 29.762 0.141 0.000 1.385 216 H HN 0.339 nan 8.280 nan 0.000 0.504 217 V N -0.542 119.592 119.914 0.368 0.000 2.490 217 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 217 V C 2.459 178.691 176.094 0.230 0.000 1.061 217 V CA 1.214 63.750 62.300 0.394 0.000 1.064 217 V CB -1.002 31.000 31.823 0.298 0.000 0.670 217 V HN 0.060 nan 8.190 nan 0.000 0.461 218 L N -0.390 120.895 121.223 0.103 0.000 2.027 218 L HA 0.064 4.404 4.340 -0.000 0.000 0.206 218 L C 2.421 179.212 176.870 -0.132 0.000 1.074 218 L CA 1.748 56.596 54.840 0.013 0.000 0.745 218 L CB -0.853 41.210 42.059 0.007 0.000 0.898 218 L HN 0.270 nan 8.230 nan 0.000 0.433 219 L N -2.370 118.778 121.223 -0.124 0.000 2.046 219 L HA -0.284 4.056 4.340 -0.000 0.000 0.208 219 L C 2.398 179.139 176.870 -0.215 0.000 1.077 219 L CA 1.389 56.066 54.840 -0.271 0.000 0.747 219 L CB -0.560 41.410 42.059 -0.149 0.000 0.896 219 L HN 0.243 nan 8.230 nan 0.000 0.432 220 Y N -0.793 119.554 120.300 0.078 0.000 2.333 220 Y HA -0.245 4.305 4.550 -0.000 0.000 0.290 220 Y C 2.867 178.741 175.900 -0.043 0.000 1.144 220 Y CA 0.903 59.118 58.100 0.193 0.000 1.228 220 Y CB -0.074 38.557 38.460 0.285 0.000 0.985 220 Y HN 0.067 nan 8.280 nan 0.000 0.542 221 R N 0.062 120.550 120.500 -0.020 0.000 2.057 221 R HA -0.151 4.189 4.340 -0.000 0.000 0.229 221 R C 2.480 178.388 176.300 -0.653 0.000 1.136 221 R CA 1.111 57.089 56.100 -0.202 0.000 0.952 221 R CB -0.552 29.674 30.300 -0.122 0.000 0.848 221 R HN 0.323 nan 8.270 nan 0.000 0.430 222 A N 0.655 122.779 122.820 -1.160 0.000 1.892 222 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 222 A C 1.900 178.830 177.584 -1.090 0.000 1.188 222 A CA 1.539 52.439 52.037 -1.895 0.000 0.631 222 A CB -0.817 17.072 19.000 -1.852 0.000 0.822 222 A HN 0.332 nan 8.150 nan 0.000 0.447 223 F N -0.199 119.254 119.950 -0.830 0.000 2.546 223 F HA 0.227 4.754 4.527 -0.000 0.000 0.298 223 F C 1.890 177.127 175.800 -0.937 0.000 1.120 223 F CA 0.456 57.816 58.000 -1.066 0.000 1.456 223 F CB -0.788 37.081 39.000 -1.884 0.000 1.088 223 F HN 0.406 nan 8.300 nan 0.000 0.572 224 G N 0.217 108.758 108.800 -0.432 0.000 2.324 224 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 224 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 224 G C -0.704 174.256 174.900 0.100 0.000 1.079 224 G CA 0.125 45.136 45.100 -0.147 0.000 1.026 224 G HN 0.444 nan 8.290 nan 0.000 0.506 225 W N -1.169 120.186 121.300 0.093 0.000 3.372 225 W HA 0.729 5.389 4.660 -0.000 0.000 0.315 225 W C -0.344 176.235 176.519 0.099 0.000 1.223 225 W CA -3.020 54.389 57.345 0.106 0.000 1.202 225 W CB 0.625 30.131 29.460 0.076 0.000 1.367 225 W HN 0.197 nan 8.180 nan 0.000 0.531 226 E N 1.575 121.937 120.200 0.271 0.000 2.829 226 E HA 0.184 4.534 4.350 -0.000 0.000 0.264 226 E C 0.347 176.804 176.600 -0.239 0.000 0.922 226 E CA 0.963 57.386 56.400 0.038 0.000 0.960 226 E CB 0.765 30.461 29.700 -0.006 0.000 0.918 226 E HN 0.590 nan 8.360 nan 0.000 0.497 227 A N 6.062 128.688 122.820 -0.323 0.000 2.340 227 A HA 0.449 4.769 4.320 -0.000 0.000 0.268 227 A C -2.006 175.238 177.584 -0.567 0.000 1.100 227 A CA -1.115 50.512 52.037 -0.683 0.000 0.803 227 A CB 0.424 19.277 19.000 -0.244 0.000 1.043 227 A HN 0.418 nan 8.150 nan 0.000 0.488 228 P HA 0.411 nan 4.420 nan 0.000 0.284 228 P C -0.807 176.086 177.300 -0.678 0.000 1.287 228 P CA -0.734 62.039 63.100 -0.546 0.000 0.824 228 P CB 0.760 32.179 31.700 -0.469 0.000 1.180 229 R N -0.216 120.037 120.500 -0.411 0.000 2.539 229 R HA 0.463 4.803 4.340 -0.000 0.000 0.275 229 R C -0.489 175.497 176.300 -0.523 0.000 1.077 229 R CA 0.019 55.890 56.100 -0.382 0.000 1.097 229 R CB 0.064 30.291 30.300 -0.121 0.000 1.018 229 R HN 0.371 nan 8.270 nan 0.000 0.483 230 F N 1.717 121.487 119.950 -0.301 0.000 2.493 230 F HA 0.362 4.889 4.527 -0.000 0.000 0.329 230 F C -0.727 174.700 175.800 -0.622 0.000 1.126 230 F CA -0.784 57.035 58.000 -0.301 0.000 0.937 230 F CB 1.235 40.144 39.000 -0.152 0.000 1.146 230 F HN 0.316 nan 8.300 nan 0.000 0.442 231 Y N 2.377 122.505 120.300 -0.286 0.000 2.373 231 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 231 Y C -0.378 175.235 175.900 -0.479 0.000 0.979 231 Y CA -0.906 56.898 58.100 -0.493 0.000 1.080 231 Y CB 1.431 39.407 38.460 -0.807 0.000 1.190 231 Y HN 0.437 nan 8.280 nan 0.000 0.446 232 H N 4.365 123.464 119.070 0.048 0.000 2.595 232 H HA 0.326 4.882 4.556 -0.000 0.000 0.313 232 H C -0.418 174.928 175.328 0.030 0.000 1.023 232 H CA -0.706 55.382 56.048 0.066 0.000 1.218 232 H CB 1.303 31.099 29.762 0.056 0.000 1.403 232 H HN 0.537 nan 8.280 nan 0.000 0.477 233 M N 4.761 124.414 119.600 0.089 0.000 2.238 233 M HA 0.176 4.655 4.480 -0.000 0.000 0.347 233 M C -2.119 174.245 176.300 0.106 0.000 1.173 233 M CA -2.848 52.449 55.300 -0.005 0.000 1.147 233 M CB 0.271 32.666 32.600 -0.342 0.000 1.547 233 M HN 0.319 nan 8.290 nan 0.000 0.455 234 P HA 0.144 nan 4.420 nan 0.000 0.272 234 P C -0.506 176.924 177.300 0.216 0.000 1.223 234 P CA -0.612 62.578 63.100 0.150 0.000 0.784 234 P CB 0.483 32.259 31.700 0.126 0.000 0.923 235 L N 2.765 124.053 121.223 0.109 0.000 2.416 235 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 235 L C 0.646 177.546 176.870 0.050 0.000 1.161 235 L CA -0.362 54.532 54.840 0.090 0.000 0.845 235 L CB -0.746 41.309 42.059 -0.007 0.000 1.119 235 L HN 0.272 nan 8.230 nan 0.000 0.464 236 L N 5.034 126.269 121.223 0.021 0.000 2.456 236 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 236 L C 0.510 177.382 176.870 0.004 0.000 1.189 236 L CA 0.428 55.237 54.840 -0.051 0.000 0.846 236 L CB 0.068 42.082 42.059 -0.074 0.000 1.111 236 L HN 0.524 nan 8.230 nan 0.000 0.475 237 R N 2.217 122.730 120.500 0.022 0.000 2.873 237 R HA 0.473 4.812 4.340 -0.000 0.000 0.264 237 R C -0.451 175.879 176.300 0.050 0.000 1.026 237 R CA -1.013 55.103 56.100 0.027 0.000 1.002 237 R CB 0.697 31.009 30.300 0.021 0.000 1.174 237 R HN 0.525 nan 8.270 nan 0.000 0.488 238 N N 1.409 120.124 118.700 0.026 0.000 2.381 238 N HA 0.130 4.870 4.740 -0.000 0.000 0.254 238 N C -1.734 173.797 175.510 0.035 0.000 1.264 238 N CA -1.328 51.734 53.050 0.021 0.000 0.942 238 N CB 0.369 38.851 38.487 -0.009 0.000 1.190 238 N HN 0.133 nan 8.380 nan 0.000 0.495 239 P HA -0.133 nan 4.420 nan 0.000 0.217 239 P C 0.206 177.520 177.300 0.023 0.000 1.148 239 P CA 1.318 64.441 63.100 0.039 0.000 0.828 239 P CB 0.026 31.746 31.700 0.034 0.000 0.783 240 D N -0.727 119.679 120.400 0.011 0.000 2.676 240 D HA -0.033 4.607 4.640 -0.000 0.000 0.239 240 D C 0.364 176.667 176.300 0.004 0.000 1.213 240 D CA -0.287 53.715 54.000 0.004 0.000 0.835 240 D CB -0.694 40.104 40.800 -0.004 0.000 1.009 240 D HN -0.097 nan 8.370 nan 0.000 0.479 241 K N -0.630 119.776 120.400 0.011 0.000 3.184 241 K HA -0.178 4.141 4.320 -0.000 0.000 0.301 241 K C 0.008 176.609 176.600 0.001 0.000 1.170 241 K CA 1.394 57.687 56.287 0.009 0.000 0.897 241 K CB -2.708 29.796 32.500 0.007 0.000 1.218 241 K HN 0.645 nan 8.250 nan 0.000 0.441 242 T N -0.268 114.285 114.554 -0.003 0.000 2.875 242 T HA 0.401 4.750 4.350 -0.000 0.000 0.284 242 T C 0.365 175.058 174.700 -0.012 0.000 0.995 242 T CA -1.053 61.040 62.100 -0.012 0.000 1.060 242 T CB 1.994 70.852 68.868 -0.016 0.000 0.967 242 T HN 0.237 nan 8.240 nan 0.000 0.476 243 K N 2.190 122.577 120.400 -0.022 0.000 2.543 243 K HA -0.014 4.306 4.320 -0.000 0.000 0.279 243 K C -0.031 176.563 176.600 -0.011 0.000 1.001 243 K CA -0.616 55.657 56.287 -0.023 0.000 1.088 243 K CB -0.474 31.995 32.500 -0.052 0.000 0.863 243 K HN 0.595 nan 8.250 nan 0.000 0.488 244 I N 1.058 121.632 120.570 0.007 0.000 3.184 244 I HA -0.148 4.021 4.170 -0.000 0.000 0.333 244 I C 0.239 176.376 176.117 0.034 0.000 1.214 244 I CA 0.601 61.914 61.300 0.022 0.000 1.465 244 I CB -0.421 37.615 38.000 0.060 0.000 1.308 244 I HN 0.627 nan 8.210 nan 0.000 0.525 245 S N 3.437 119.135 115.700 -0.004 0.000 2.536 245 S HA 0.552 5.022 4.470 -0.000 0.000 0.298 245 S C 0.799 175.367 174.600 -0.055 0.000 1.083 245 S CA -0.661 57.534 58.200 -0.008 0.000 0.995 245 S CB 1.484 64.667 63.200 -0.028 0.000 1.058 245 S HN 0.840 nan 8.310 nan 0.000 0.488 246 K N 3.105 123.479 120.400 -0.043 0.000 2.103 246 K HA 0.085 4.405 4.320 -0.000 0.000 0.207 246 K C 1.399 177.912 176.600 -0.144 0.000 1.048 246 K CA 1.525 57.749 56.287 -0.106 0.000 0.930 246 K CB -0.076 32.385 32.500 -0.066 0.000 0.716 246 K HN 0.391 nan 8.250 nan 0.000 0.444 247 R N 0.544 120.981 120.500 -0.105 0.000 2.310 247 R HA 0.171 4.511 4.340 -0.000 0.000 0.202 247 R C 0.766 176.989 176.300 -0.129 0.000 0.933 247 R CA 0.432 56.465 56.100 -0.112 0.000 1.054 247 R CB 0.209 30.468 30.300 -0.069 0.000 0.985 247 R HN 0.308 nan 8.270 nan 0.000 0.489 248 K N -0.339 119.978 120.400 -0.138 0.000 2.373 248 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 248 K C -0.126 176.363 176.600 -0.185 0.000 1.054 248 K CA 0.227 56.437 56.287 -0.127 0.000 1.065 248 K CB 0.942 33.396 32.500 -0.076 0.000 0.886 248 K HN 0.054 nan 8.250 nan 0.000 0.546 249 S N -0.390 115.138 115.700 -0.287 0.000 2.645 249 S HA 0.237 4.706 4.470 -0.000 0.000 0.268 249 S C -1.080 173.172 174.600 -0.581 0.000 1.110 249 S CA -1.088 56.855 58.200 -0.428 0.000 0.823 249 S CB 0.788 63.862 63.200 -0.209 0.000 1.091 249 S HN 0.095 nan 8.310 nan 0.000 0.466 250 H N 1.871 120.640 119.070 -0.502 0.000 2.944 250 H HA 0.356 4.911 4.556 -0.000 0.000 0.278 250 H C 1.165 176.243 175.328 -0.418 0.000 1.083 250 H CA 0.699 56.309 56.048 -0.730 0.000 1.479 250 H CB 0.923 29.715 29.762 -1.617 0.000 1.486 250 H HN 0.932 nan 8.280 nan 0.000 0.493 251 T N -0.879 113.512 114.554 -0.271 0.000 2.990 251 T HA 0.016 4.366 4.350 -0.000 0.000 0.250 251 T C 1.051 175.582 174.700 -0.282 0.000 1.041 251 T CA -0.313 61.574 62.100 -0.355 0.000 1.010 251 T CB 0.295 68.789 68.868 -0.622 0.000 1.003 251 T HN 0.306 nan 8.240 nan 0.000 0.499 252 S N 1.120 116.743 115.700 -0.129 0.000 2.481 252 S HA 0.390 4.859 4.470 -0.000 0.000 0.276 252 S C 1.162 175.886 174.600 0.206 0.000 1.247 252 S CA -0.669 57.529 58.200 -0.004 0.000 1.053 252 S CB -0.028 63.180 63.200 0.013 0.000 0.925 252 S HN 0.455 nan 8.310 nan 0.000 0.491 253 L N 3.701 125.043 121.223 0.198 0.000 2.191 253 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 253 L C 1.608 178.559 176.870 0.136 0.000 1.103 253 L CA 0.829 55.843 54.840 0.289 0.000 0.769 253 L CB -0.309 41.862 42.059 0.186 0.000 0.908 253 L HN 0.555 nan 8.230 nan 0.000 0.438 254 D N -1.106 119.320 120.400 0.043 0.000 2.264 254 D HA -0.195 4.445 4.640 -0.000 0.000 0.208 254 D C 1.658 177.964 176.300 0.010 0.000 0.966 254 D CA 0.714 54.679 54.000 -0.058 0.000 0.864 254 D CB -0.043 40.727 40.800 -0.050 0.000 0.933 254 D HN 0.428 nan 8.370 nan 0.000 0.499 255 W N 0.024 121.254 121.300 -0.115 0.000 2.441 255 W HA -0.145 4.515 4.660 -0.000 0.000 0.302 255 W C 1.744 178.162 176.519 -0.169 0.000 1.191 255 W CA 0.956 58.184 57.345 -0.196 0.000 1.327 255 W CB -0.463 28.797 29.460 -0.333 0.000 1.128 255 W HN -0.086 nan 8.180 nan 0.000 0.522 256 Y N 1.162 121.710 120.300 0.412 0.000 2.165 256 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 256 Y C 2.592 178.664 175.900 0.288 0.000 1.155 256 Y CA 2.340 60.670 58.100 0.383 0.000 1.164 256 Y CB -0.934 37.777 38.460 0.418 0.000 0.978 256 Y HN -0.041 nan 8.280 nan 0.000 0.513 257 K N 0.561 121.066 120.400 0.176 0.000 2.057 257 K HA -0.165 4.154 4.320 -0.000 0.000 0.207 257 K C 2.203 178.849 176.600 0.076 0.000 1.049 257 K CA 1.415 57.693 56.287 -0.016 0.000 0.931 257 K CB -0.447 31.623 32.500 -0.717 0.000 0.714 257 K HN 0.184 nan 8.250 nan 0.000 0.440 258 A N 0.908 123.674 122.820 -0.090 0.000 1.933 258 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 258 A C 1.544 179.068 177.584 -0.100 0.000 1.175 258 A CA 1.486 53.447 52.037 -0.126 0.000 0.628 258 A CB -0.407 18.458 19.000 -0.224 0.000 0.814 258 A HN 0.354 nan 8.150 nan 0.000 0.444 259 E N -0.447 119.553 120.200 -0.334 0.000 2.438 259 E HA 0.204 4.554 4.350 -0.000 0.000 0.192 259 E C 0.996 177.395 176.600 -0.335 0.000 1.110 259 E CA 0.442 56.576 56.400 -0.443 0.000 0.893 259 E CB -0.875 28.266 29.700 -0.932 0.000 0.990 259 E HN 0.723 nan 8.360 nan 0.000 0.490 260 G N 1.074 109.817 108.800 -0.094 0.000 2.246 260 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.273 260 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.273 260 G C -0.120 174.542 174.900 -0.396 0.000 1.055 260 G CA -0.076 44.746 45.100 -0.462 0.000 0.851 260 G HN 0.246 nan 8.290 nan 0.000 0.500 261 F N -0.152 119.851 119.950 0.088 0.000 2.404 261 F HA 0.513 5.039 4.527 -0.000 0.000 0.339 261 F C 1.107 176.996 175.800 0.148 0.000 1.105 261 F CA -1.147 56.938 58.000 0.142 0.000 1.087 261 F CB 1.084 40.266 39.000 0.303 0.000 1.143 261 F HN -0.098 nan 8.300 nan 0.000 0.491 262 L N 6.452 127.768 121.223 0.154 0.000 2.410 262 L HA 0.098 4.438 4.340 -0.000 0.000 0.273 262 L C -1.250 175.463 176.870 -0.263 0.000 1.144 262 L CA -1.245 53.563 54.840 -0.054 0.000 0.863 262 L CB 1.031 43.027 42.059 -0.105 0.000 1.140 262 L HN 0.410 nan 8.230 nan 0.000 0.463 263 P HA -0.177 nan 4.420 nan 0.000 0.215 263 P C 0.929 177.899 177.300 -0.550 0.000 1.153 263 P CA 1.298 63.774 63.100 -1.040 0.000 0.853 263 P CB 0.487 31.206 31.700 -1.636 0.000 0.788 264 E N 0.228 120.170 120.200 -0.430 0.000 2.118 264 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 264 E C 2.274 178.500 176.600 -0.624 0.000 0.992 264 E CA 1.657 57.855 56.400 -0.336 0.000 0.804 264 E CB -1.027 28.619 29.700 -0.091 0.000 0.741 264 E HN 0.243 nan 8.360 nan 0.000 0.458 265 A N 0.825 123.148 122.820 -0.828 0.000 1.854 265 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 265 A C 2.178 179.487 177.584 -0.459 0.000 1.192 265 A CA 0.922 52.355 52.037 -1.006 0.000 0.611 265 A CB -0.773 17.814 19.000 -0.688 0.000 0.832 265 A HN 0.261 nan 8.150 nan 0.000 0.442 266 L N -0.325 120.741 121.223 -0.262 0.000 2.043 266 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 266 L C 2.864 179.669 176.870 -0.108 0.000 1.075 266 L CA 2.180 56.953 54.840 -0.113 0.000 0.752 266 L CB -0.431 41.587 42.059 -0.068 0.000 0.891 266 L HN 0.546 nan 8.230 nan 0.000 0.432 267 R N 0.380 120.765 120.500 -0.191 0.000 2.081 267 R HA -0.248 4.092 4.340 -0.000 0.000 0.235 267 R C 1.781 177.967 176.300 -0.191 0.000 1.131 267 R CA 2.295 58.295 56.100 -0.166 0.000 0.960 267 R CB -0.795 29.393 30.300 -0.187 0.000 0.856 267 R HN 0.549 nan 8.270 nan 0.000 0.436 268 N N -0.828 117.723 118.700 -0.248 0.000 2.166 268 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 268 N C 1.865 177.265 175.510 -0.183 0.000 1.019 268 N CA 0.949 53.832 53.050 -0.278 0.000 0.856 268 N CB -0.186 38.076 38.487 -0.376 0.000 0.993 268 N HN 0.222 nan 8.380 nan 0.000 0.426 269 Y N 1.286 121.417 120.300 -0.283 0.000 2.114 269 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 269 Y C 1.979 177.801 175.900 -0.130 0.000 1.143 269 Y CA 0.957 58.928 58.100 -0.216 0.000 1.135 269 Y CB -0.766 37.536 38.460 -0.264 0.000 0.980 269 Y HN 0.070 nan 8.280 nan 0.000 0.499 270 L N -0.126 120.976 121.223 -0.202 0.000 2.089 270 L HA -0.313 4.026 4.340 -0.000 0.000 0.213 270 L C 2.690 179.527 176.870 -0.056 0.000 1.079 270 L CA 1.727 56.466 54.840 -0.168 0.000 0.758 270 L CB -1.708 40.353 42.059 0.003 0.000 0.891 270 L HN 0.422 nan 8.230 nan 0.000 0.433 271 C N -1.266 117.955 119.300 -0.132 0.000 2.413 271 C HA -0.149 4.310 4.460 -0.000 0.000 0.277 271 C C 2.555 177.693 174.990 0.245 0.000 1.265 271 C CA 0.024 58.957 59.018 -0.143 0.000 1.752 271 C CB -0.950 26.592 27.740 -0.330 0.000 1.998 271 C HN 0.411 nan 8.230 nan 0.000 0.489 272 L N 0.066 121.371 121.223 0.136 0.000 2.456 272 L HA 0.035 4.375 4.340 -0.000 0.000 0.224 272 L C 1.372 178.294 176.870 0.088 0.000 1.148 272 L CA 1.325 56.262 54.840 0.162 0.000 0.825 272 L CB -1.068 41.069 42.059 0.130 0.000 0.937 272 L HN 0.383 nan 8.230 nan 0.000 0.450 273 M N -0.131 119.475 119.600 0.010 0.000 3.442 273 M HA 0.258 4.738 4.480 -0.000 0.000 0.232 273 M C 1.297 177.706 176.300 0.181 0.000 1.508 273 M CA 0.447 55.711 55.300 -0.061 0.000 1.647 273 M CB -1.035 31.363 32.600 -0.337 0.000 1.126 273 M HN 0.345 nan 8.290 nan 0.000 0.557 274 G N 1.519 110.454 108.800 0.225 0.000 2.799 274 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.200 274 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.200 274 G C -0.130 175.014 174.900 0.406 0.000 1.206 274 G CA -0.633 44.645 45.100 0.295 0.000 0.827 274 G HN 0.488 nan 8.290 nan 0.000 0.511 275 F N 2.979 123.201 119.950 0.453 0.000 2.371 275 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 275 F C 0.521 176.515 175.800 0.324 0.000 1.107 275 F CA 0.349 58.621 58.000 0.453 0.000 1.137 275 F CB 1.803 41.247 39.000 0.740 0.000 1.214 275 F HN 0.655 nan 8.300 nan 0.000 0.536 276 S N 6.512 121.614 115.700 -0.997 0.000 2.536 276 S HA 0.498 4.967 4.470 -0.000 0.000 0.271 276 S C -1.095 172.997 174.600 -0.846 0.000 1.134 276 S CA -1.222 56.616 58.200 -0.603 0.000 0.897 276 S CB 1.365 64.437 63.200 -0.213 0.000 1.094 276 S HN 0.587 nan 8.310 nan 0.000 0.473 277 M N 2.931 122.322 119.600 -0.348 0.000 2.233 277 M HA 0.291 4.770 4.480 -0.000 0.000 0.350 277 M C -1.589 174.645 176.300 -0.111 0.000 1.176 277 M CA -1.979 53.207 55.300 -0.189 0.000 1.150 277 M CB 0.184 32.782 32.600 -0.004 0.000 1.530 277 M HN 0.506 nan 8.290 nan 0.000 0.459 278 P HA -0.201 nan 4.420 nan 0.000 0.216 278 P C 0.651 177.946 177.300 -0.010 0.000 1.157 278 P CA 1.534 64.613 63.100 -0.035 0.000 0.880 278 P CB -0.114 31.580 31.700 -0.009 0.000 0.791 279 D N -1.456 118.951 120.400 0.011 0.000 2.338 279 D HA 0.021 4.661 4.640 -0.000 0.000 0.239 279 D C 1.345 177.671 176.300 0.043 0.000 1.095 279 D CA 0.678 54.696 54.000 0.029 0.000 0.888 279 D CB -1.105 39.718 40.800 0.040 0.000 0.899 279 D HN 0.274 nan 8.370 nan 0.000 0.525 280 G N 1.613 110.437 108.800 0.040 0.000 2.196 280 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.268 280 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.268 280 G C 0.422 175.390 174.900 0.113 0.000 0.975 280 G CA 0.390 45.527 45.100 0.060 0.000 0.648 280 G HN 0.730 nan 8.290 nan 0.000 0.538 281 R N 0.793 121.380 120.500 0.145 0.000 2.484 281 R HA 0.254 4.594 4.340 -0.000 0.000 0.293 281 R C 0.834 177.318 176.300 0.307 0.000 1.023 281 R CA 0.710 56.931 56.100 0.201 0.000 1.037 281 R CB 0.244 30.669 30.300 0.209 0.000 0.951 281 R HN 0.453 nan 8.270 nan 0.000 0.418 282 E N 3.382 123.716 120.200 0.224 0.000 2.400 282 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 282 E C 0.008 176.542 176.600 -0.110 0.000 1.012 282 E CA 0.165 56.664 56.400 0.166 0.000 0.875 282 E CB 0.393 30.230 29.700 0.229 0.000 0.859 282 E HN 0.519 nan 8.360 nan 0.000 0.498 283 I N 1.633 122.170 120.570 -0.054 0.000 2.362 283 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 283 I C -0.351 175.732 176.117 -0.058 0.000 0.994 283 I CA -0.571 60.605 61.300 -0.207 0.000 1.158 283 I CB 0.211 38.123 38.000 -0.147 0.000 1.315 283 I HN -0.093 nan 8.210 nan 0.000 0.451 284 F N 2.028 122.044 119.950 0.109 0.000 2.773 284 F HA 0.656 5.183 4.527 -0.000 0.000 0.314 284 F C -0.042 175.831 175.800 0.122 0.000 1.160 284 F CA -1.133 56.925 58.000 0.097 0.000 0.920 284 F CB 1.271 40.352 39.000 0.135 0.000 1.323 284 F HN 0.416 nan 8.300 nan 0.000 0.457 285 T N -0.782 114.022 114.554 0.417 0.000 2.881 285 T HA 0.344 4.694 4.350 -0.000 0.000 0.278 285 T C 0.819 175.726 174.700 0.344 0.000 0.982 285 T CA -0.813 61.462 62.100 0.292 0.000 0.989 285 T CB 1.452 70.420 68.868 0.166 0.000 1.058 285 T HN 0.898 nan 8.240 nan 0.000 0.529 286 L N 0.019 121.382 121.223 0.233 0.000 2.013 286 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 286 L C 2.807 179.831 176.870 0.256 0.000 1.073 286 L CA 2.142 57.130 54.840 0.246 0.000 0.753 286 L CB -0.605 41.551 42.059 0.163 0.000 0.890 286 L HN 0.853 nan 8.230 nan 0.000 0.432 287 E N 0.289 120.592 120.200 0.172 0.000 2.077 287 E HA -0.232 4.117 4.350 -0.000 0.000 0.193 287 E C 1.987 178.628 176.600 0.068 0.000 0.989 287 E CA 1.454 57.913 56.400 0.099 0.000 0.800 287 E CB -0.010 29.729 29.700 0.065 0.000 0.746 287 E HN 0.521 nan 8.360 nan 0.000 0.452 288 E N -0.693 119.573 120.200 0.110 0.000 2.153 288 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 288 E C 1.870 178.467 176.600 -0.005 0.000 0.988 288 E CA 0.856 57.291 56.400 0.058 0.000 0.811 288 E CB -0.298 29.468 29.700 0.110 0.000 0.746 288 E HN 0.288 nan 8.360 nan 0.000 0.466 289 F N 2.429 122.299 119.950 -0.134 0.000 2.074 289 F HA -0.107 4.419 4.527 -0.000 0.000 0.293 289 F C 2.241 177.882 175.800 -0.266 0.000 1.116 289 F CA 1.234 59.078 58.000 -0.261 0.000 1.212 289 F CB -0.415 38.497 39.000 -0.147 0.000 0.998 289 F HN -0.018 nan 8.300 nan 0.000 0.471 290 I N 0.017 120.384 120.570 -0.338 0.000 2.657 290 I HA -0.230 3.939 4.170 -0.000 0.000 0.261 290 I C 1.887 177.800 176.117 -0.341 0.000 1.212 290 I CA 1.731 62.736 61.300 -0.491 0.000 1.453 290 I CB -0.714 37.077 38.000 -0.348 0.000 1.092 290 I HN 0.357 nan 8.210 nan 0.000 0.452 291 Q N 0.698 120.364 119.800 -0.222 0.000 2.226 291 Q HA 0.270 4.609 4.340 -0.000 0.000 0.199 291 Q C 2.237 178.160 176.000 -0.129 0.000 0.945 291 Q CA 1.036 56.751 55.803 -0.146 0.000 0.861 291 Q CB -0.055 28.633 28.738 -0.083 0.000 0.953 291 Q HN 0.676 nan 8.270 nan 0.000 0.490 292 A N -0.158 122.584 122.820 -0.130 0.000 2.238 292 A HA 0.038 4.358 4.320 -0.000 0.000 0.208 292 A C 0.222 177.763 177.584 -0.072 0.000 1.177 292 A CA -0.324 51.695 52.037 -0.030 0.000 0.804 292 A CB -0.293 18.759 19.000 0.086 0.000 0.823 292 A HN 0.341 nan 8.150 nan 0.000 0.482 293 F N 1.564 121.160 119.950 -0.590 0.000 2.608 293 F HA 0.339 4.866 4.527 -0.000 0.000 0.380 293 F C 0.107 175.665 175.800 -0.403 0.000 1.083 293 F CA 1.030 58.508 58.000 -0.871 0.000 1.266 293 F CB 0.363 38.700 39.000 -1.105 0.000 1.076 293 F HN -0.023 nan 8.300 nan 0.000 0.574 294 T N 5.848 119.710 114.554 -1.152 0.000 3.291 294 T HA 0.039 4.389 4.350 -0.000 0.000 0.344 294 T C -0.007 174.205 174.700 -0.814 0.000 1.293 294 T CA -0.587 61.078 62.100 -0.726 0.000 1.108 294 T CB 0.460 69.211 68.868 -0.194 0.000 1.231 294 T HN 0.689 nan 8.240 nan 0.000 0.474 295 W N 1.270 122.226 121.300 -0.572 0.000 2.468 295 W HA -0.009 4.651 4.660 -0.000 0.000 0.262 295 W C 1.746 178.189 176.519 -0.126 0.000 1.241 295 W CA 0.383 57.505 57.345 -0.372 0.000 1.232 295 W CB 0.021 29.304 29.460 -0.294 0.000 1.124 295 W HN 0.756 nan 8.180 nan 0.000 0.597 296 E N 0.075 120.330 120.200 0.091 0.000 2.511 296 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 296 E C 1.557 178.207 176.600 0.084 0.000 1.066 296 E CA 0.395 56.852 56.400 0.095 0.000 0.871 296 E CB -0.097 29.643 29.700 0.066 0.000 0.863 296 E HN 0.309 nan 8.360 nan 0.000 0.520 297 R N 0.528 121.091 120.500 0.104 0.000 2.437 297 R HA 0.188 4.528 4.340 -0.000 0.000 0.257 297 R C -0.266 176.164 176.300 0.217 0.000 0.927 297 R CA -0.020 56.147 56.100 0.112 0.000 1.078 297 R CB 1.140 31.521 30.300 0.135 0.000 1.161 297 R HN -0.015 nan 8.270 nan 0.000 0.529 298 V N 2.523 122.609 119.914 0.287 0.000 2.406 298 V HA 0.087 4.206 4.120 -0.000 0.000 0.272 298 V C 0.594 176.834 176.094 0.244 0.000 1.043 298 V CA -0.395 62.126 62.300 0.367 0.000 0.915 298 V CB 1.457 33.566 31.823 0.477 0.000 0.988 298 V HN 0.226 nan 8.190 nan 0.000 0.466 299 S N 5.892 121.717 115.700 0.208 0.000 2.586 299 S HA 0.444 4.914 4.470 -0.000 0.000 0.274 299 S C 0.577 175.260 174.600 0.138 0.000 1.281 299 S CA -0.613 57.672 58.200 0.141 0.000 1.035 299 S CB 0.993 64.259 63.200 0.110 0.000 0.962 299 S HN 0.570 nan 8.310 nan 0.000 0.512 300 L N 2.413 123.698 121.223 0.104 0.000 2.554 300 L HA 0.280 4.620 4.340 -0.000 0.000 0.225 300 L C 1.677 178.591 176.870 0.072 0.000 1.104 300 L CA 0.031 54.926 54.840 0.092 0.000 0.866 300 L CB -0.854 41.250 42.059 0.075 0.000 1.047 300 L HN 0.924 nan 8.230 nan 0.000 0.468 301 G N -0.087 108.751 108.800 0.062 0.000 2.664 301 G HA2 0.278 4.237 3.960 -0.000 0.000 0.242 301 G HA3 0.278 4.237 3.960 -0.000 0.000 0.242 301 G C 0.248 175.176 174.900 0.047 0.000 1.225 301 G CA -0.037 45.091 45.100 0.046 0.000 0.849 301 G HN 0.220 nan 8.290 nan 0.000 0.581 302 G N 1.124 109.944 108.800 0.033 0.000 2.351 302 G HA2 0.523 4.482 3.960 -0.000 0.000 0.287 302 G HA3 0.523 4.482 3.960 -0.000 0.000 0.287 302 G C -2.207 172.703 174.900 0.017 0.000 1.159 302 G CA -0.727 44.389 45.100 0.026 0.000 0.929 302 G HN 0.523 nan 8.290 nan 0.000 0.435 303 P HA 0.269 nan 4.420 nan 0.000 0.286 303 P C -0.227 177.076 177.300 0.005 0.000 1.269 303 P CA -0.429 62.664 63.100 -0.012 0.000 0.787 303 P CB 1.878 33.542 31.700 -0.059 0.000 0.920 304 V N 4.649 124.582 119.914 0.033 0.000 2.432 304 V HA 0.165 4.285 4.120 -0.000 0.000 0.271 304 V C 0.547 176.717 176.094 0.126 0.000 1.046 304 V CA -0.577 61.768 62.300 0.076 0.000 0.945 304 V CB -0.099 31.762 31.823 0.065 0.000 0.992 304 V HN 0.441 nan 8.190 nan 0.000 0.471 305 F N 4.106 124.074 119.950 0.029 0.000 2.533 305 F HA 0.204 4.730 4.527 -0.000 0.000 0.378 305 F C 0.575 176.479 175.800 0.174 0.000 1.070 305 F CA 0.066 58.131 58.000 0.108 0.000 1.172 305 F CB 0.411 39.456 39.000 0.075 0.000 1.085 305 F HN 0.566 nan 8.300 nan 0.000 0.552 306 D N 6.431 126.859 120.400 0.046 0.000 2.443 306 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 306 D C 0.838 177.097 176.300 -0.069 0.000 1.097 306 D CA -0.311 53.712 54.000 0.037 0.000 0.865 306 D CB 0.928 41.736 40.800 0.014 0.000 1.034 306 D HN 0.567 nan 8.370 nan 0.000 0.511 307 L N 3.923 125.249 121.223 0.171 0.000 2.079 307 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 307 L C 1.802 178.753 176.870 0.134 0.000 1.081 307 L CA 1.759 56.743 54.840 0.240 0.000 0.752 307 L CB -0.204 42.084 42.059 0.382 0.000 0.896 307 L HN 0.367 nan 8.230 nan 0.000 0.433 308 E N 0.077 120.338 120.200 0.102 0.000 2.023 308 E HA -0.297 4.052 4.350 -0.000 0.000 0.196 308 E C 2.253 178.887 176.600 0.057 0.000 1.003 308 E CA 1.622 58.079 56.400 0.094 0.000 0.809 308 E CB -0.307 29.429 29.700 0.060 0.000 0.755 308 E HN 0.490 nan 8.360 nan 0.000 0.449 309 K N 0.623 120.993 120.400 -0.050 0.000 2.097 309 K HA -0.090 4.229 4.320 -0.000 0.000 0.206 309 K C 2.256 178.760 176.600 -0.160 0.000 1.049 309 K CA 0.756 57.016 56.287 -0.047 0.000 0.933 309 K CB -0.228 32.192 32.500 -0.132 0.000 0.717 309 K HN 0.074 nan 8.250 nan 0.000 0.442 310 L N 1.004 121.921 121.223 -0.510 0.000 1.989 310 L HA -0.234 4.105 4.340 -0.000 0.000 0.211 310 L C 2.257 179.133 176.870 0.009 0.000 1.071 310 L CA 1.754 56.272 54.840 -0.537 0.000 0.749 310 L CB -0.421 41.329 42.059 -0.515 0.000 0.890 310 L HN 0.318 nan 8.230 nan 0.000 0.431 311 R N -0.980 119.665 120.500 0.242 0.000 2.096 311 R HA -0.277 4.063 4.340 -0.000 0.000 0.240 311 R C 2.011 178.431 176.300 0.201 0.000 1.139 311 R CA 2.251 58.579 56.100 0.380 0.000 0.952 311 R CB -0.822 29.680 30.300 0.336 0.000 0.854 311 R HN 0.582 nan 8.270 nan 0.000 0.436 312 W N 1.438 122.740 121.300 0.004 0.000 2.338 312 W HA -0.210 4.450 4.660 -0.000 0.000 0.304 312 W C 2.089 178.592 176.519 -0.028 0.000 1.212 312 W CA 1.446 58.775 57.345 -0.027 0.000 1.264 312 W CB -0.340 29.088 29.460 -0.055 0.000 1.142 312 W HN -0.010 nan 8.180 nan 0.000 0.512 313 M N 0.639 120.018 119.600 -0.368 0.000 2.132 313 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 313 M C 2.240 178.325 176.300 -0.360 0.000 1.065 313 M CA 2.203 57.099 55.300 -0.673 0.000 1.122 313 M CB -0.803 31.535 32.600 -0.436 0.000 1.365 313 M HN 0.169 nan 8.290 nan 0.000 0.411 314 N N -0.427 118.187 118.700 -0.142 0.000 2.104 314 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 314 N C 1.643 177.082 175.510 -0.118 0.000 1.024 314 N CA 1.454 54.467 53.050 -0.062 0.000 0.853 314 N CB -0.169 38.370 38.487 0.087 0.000 1.008 314 N HN 0.503 nan 8.380 nan 0.000 0.424 315 G N 1.128 109.830 108.800 -0.164 0.000 2.421 315 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 315 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 315 G C 1.628 176.378 174.900 -0.250 0.000 1.171 315 G CA 0.897 45.873 45.100 -0.207 0.000 0.775 315 G HN 0.257 nan 8.290 nan 0.000 0.543 316 K N -0.360 119.831 120.400 -0.349 0.000 2.044 316 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 316 K C 2.131 178.586 176.600 -0.241 0.000 1.049 316 K CA 1.306 57.382 56.287 -0.352 0.000 0.927 316 K CB -0.553 31.565 32.500 -0.636 0.000 0.713 316 K HN 0.458 nan 8.250 nan 0.000 0.443 317 Y N 0.183 120.282 120.300 -0.335 0.000 2.145 317 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 317 Y C 1.988 177.761 175.900 -0.210 0.000 1.145 317 Y CA 1.651 59.603 58.100 -0.248 0.000 1.148 317 Y CB -0.025 38.302 38.460 -0.221 0.000 0.981 317 Y HN 0.029 nan 8.280 nan 0.000 0.507 318 I N 0.147 120.669 120.570 -0.079 0.000 2.454 318 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 318 I C 2.305 178.293 176.117 -0.214 0.000 1.156 318 I CA 1.746 62.955 61.300 -0.151 0.000 1.433 318 I CB -0.215 37.634 38.000 -0.252 0.000 1.082 318 I HN 0.262 nan 8.210 nan 0.000 0.432 319 R N 0.174 120.536 120.500 -0.231 0.000 2.335 319 R HA 0.132 4.472 4.340 -0.000 0.000 0.210 319 R C 1.253 177.447 176.300 -0.176 0.000 0.892 319 R CA 0.392 56.364 56.100 -0.214 0.000 1.048 319 R CB 0.182 30.348 30.300 -0.224 0.000 1.067 319 R HN 0.281 nan 8.270 nan 0.000 0.524 320 E N 0.123 120.202 120.200 -0.201 0.000 2.444 320 E HA 0.078 4.427 4.350 -0.000 0.000 0.209 320 E C 1.492 177.952 176.600 -0.234 0.000 0.806 320 E CA 0.213 56.496 56.400 -0.196 0.000 1.240 320 E CB 0.962 30.546 29.700 -0.193 0.000 1.238 320 E HN 0.036 nan 8.360 nan 0.000 0.591 321 V N 1.891 121.606 119.914 -0.332 0.000 2.374 321 V HA 0.006 4.126 4.120 -0.000 0.000 0.241 321 V C 1.293 177.255 176.094 -0.221 0.000 1.034 321 V CA 0.700 62.772 62.300 -0.380 0.000 1.037 321 V CB -0.062 31.271 31.823 -0.817 0.000 0.682 321 V HN 0.151 nan 8.190 nan 0.000 0.463 322 L N 1.352 122.475 121.223 -0.167 0.000 2.464 322 L HA 0.262 4.602 4.340 -0.000 0.000 0.264 322 L C 0.647 177.459 176.870 -0.097 0.000 1.199 322 L CA 0.482 55.263 54.840 -0.098 0.000 0.818 322 L CB 0.754 42.774 42.059 -0.064 0.000 1.102 322 L HN 0.455 nan 8.230 nan 0.000 0.473 323 S N 0.545 116.200 115.700 -0.075 0.000 2.646 323 S HA 0.212 4.682 4.470 -0.000 0.000 0.276 323 S C 0.810 175.368 174.600 -0.070 0.000 1.222 323 S CA -0.782 57.377 58.200 -0.069 0.000 1.014 323 S CB 1.691 64.858 63.200 -0.055 0.000 0.991 323 S HN 0.523 nan 8.310 nan 0.000 0.533 324 L N 1.324 122.507 121.223 -0.067 0.000 2.051 324 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 324 L C 2.260 179.086 176.870 -0.075 0.000 1.076 324 L CA 2.153 56.951 54.840 -0.070 0.000 0.758 324 L CB -1.104 40.920 42.059 -0.058 0.000 0.890 324 L HN 0.857 nan 8.230 nan 0.000 0.433 325 E N -0.525 119.639 120.200 -0.060 0.000 2.058 325 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 325 E C 2.211 178.772 176.600 -0.065 0.000 0.997 325 E CA 1.297 57.663 56.400 -0.056 0.000 0.801 325 E CB -0.301 29.377 29.700 -0.037 0.000 0.746 325 E HN 0.441 nan 8.360 nan 0.000 0.450 326 E N 0.239 120.403 120.200 -0.059 0.000 2.051 326 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 326 E C 2.197 178.754 176.600 -0.072 0.000 0.991 326 E CA 0.837 57.204 56.400 -0.055 0.000 0.799 326 E CB -0.247 29.424 29.700 -0.048 0.000 0.748 326 E HN 0.115 nan 8.360 nan 0.000 0.449 327 V N 1.503 121.366 119.914 -0.085 0.000 2.237 327 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 327 V C 2.496 178.479 176.094 -0.184 0.000 1.046 327 V CA 1.994 64.231 62.300 -0.105 0.000 1.007 327 V CB -1.011 30.767 31.823 -0.075 0.000 0.638 327 V HN 0.303 nan 8.190 nan 0.000 0.445 328 A N -0.565 122.131 122.820 -0.207 0.000 2.042 328 A HA -0.321 3.999 4.320 -0.000 0.000 0.222 328 A C 2.127 179.542 177.584 -0.282 0.000 1.167 328 A CA 2.408 54.272 52.037 -0.289 0.000 0.649 328 A CB -0.512 18.358 19.000 -0.216 0.000 0.809 328 A HN 0.605 nan 8.150 nan 0.000 0.457 329 E N -0.147 119.948 120.200 -0.175 0.000 2.033 329 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 329 E C 2.185 178.724 176.600 -0.102 0.000 0.979 329 E CA 1.201 57.525 56.400 -0.126 0.000 0.802 329 E CB -0.211 29.453 29.700 -0.059 0.000 0.763 329 E HN 0.608 nan 8.360 nan 0.000 0.449 330 R N -0.411 120.044 120.500 -0.074 0.000 2.148 330 R HA -0.021 4.319 4.340 -0.000 0.000 0.227 330 R C 2.341 178.652 176.300 0.017 0.000 1.103 330 R CA 0.896 56.998 56.100 0.003 0.000 0.983 330 R CB -0.340 29.960 30.300 -0.000 0.000 0.874 330 R HN 0.083 nan 8.270 nan 0.000 0.451 331 V N 1.279 121.096 119.914 -0.162 0.000 2.626 331 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 331 V C 1.696 177.728 176.094 -0.104 0.000 1.067 331 V CA 1.654 63.815 62.300 -0.231 0.000 1.081 331 V CB -0.191 31.262 31.823 -0.616 0.000 0.686 331 V HN 0.255 nan 8.190 nan 0.000 0.468 332 K N 0.218 120.476 120.400 -0.236 0.000 2.020 332 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 332 K C -0.109 176.483 176.600 -0.013 0.000 1.050 332 K CA 2.241 58.344 56.287 -0.307 0.000 0.929 332 K CB -1.571 30.727 32.500 -0.335 0.000 0.714 332 K HN 0.422 nan 8.250 nan 0.000 0.443 333 P HA -0.192 nan 4.420 nan 0.000 0.217 333 P C 0.847 178.000 177.300 -0.245 0.000 1.151 333 P CA 1.459 64.492 63.100 -0.111 0.000 0.849 333 P CB -0.053 31.521 31.700 -0.210 0.000 0.787 334 F N -1.904 118.003 119.950 -0.071 0.000 2.325 334 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 334 F C 2.320 178.078 175.800 -0.069 0.000 1.090 334 F CA 0.602 58.555 58.000 -0.078 0.000 1.392 334 F CB -0.932 38.005 39.000 -0.106 0.000 1.053 334 F HN -0.172 nan 8.300 nan 0.000 0.521 335 L N 0.112 121.383 121.223 0.080 0.000 1.988 335 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 335 L C 2.633 179.553 176.870 0.083 0.000 1.071 335 L CA 1.414 56.275 54.840 0.035 0.000 0.744 335 L CB -0.539 41.535 42.059 0.025 0.000 0.893 335 L HN 0.057 nan 8.230 nan 0.000 0.433 336 R N -0.247 120.338 120.500 0.141 0.000 2.103 336 R HA -0.240 4.100 4.340 -0.000 0.000 0.242 336 R C 2.115 178.415 176.300 0.000 0.000 1.142 336 R CA 1.645 57.796 56.100 0.084 0.000 0.960 336 R CB -0.652 29.697 30.300 0.081 0.000 0.858 336 R HN 0.435 nan 8.270 nan 0.000 0.439 337 E N 1.153 121.323 120.200 -0.050 0.000 2.110 337 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 337 E C 1.555 178.129 176.600 -0.044 0.000 0.988 337 E CA 1.246 57.596 56.400 -0.083 0.000 0.804 337 E CB 0.010 29.605 29.700 -0.175 0.000 0.745 337 E HN 0.405 nan 8.360 nan 0.000 0.458 338 A N -0.326 122.481 122.820 -0.020 0.000 2.259 338 A HA 0.221 4.541 4.320 -0.000 0.000 0.208 338 A C 1.622 179.207 177.584 0.001 0.000 1.201 338 A CA 1.113 53.145 52.037 -0.008 0.000 0.824 338 A CB -0.333 18.663 19.000 -0.007 0.000 0.838 338 A HN 0.441 nan 8.150 nan 0.000 0.485 339 G N -1.246 107.555 108.800 0.002 0.000 2.234 339 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 339 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 339 G C 0.250 175.164 174.900 0.022 0.000 0.987 339 G CA 0.420 45.524 45.100 0.007 0.000 0.625 339 G HN 0.483 nan 8.290 nan 0.000 0.532 340 L N 1.066 122.309 121.223 0.034 0.000 2.439 340 L HA 0.657 4.997 4.340 -0.000 0.000 0.261 340 L C 0.918 177.846 176.870 0.096 0.000 1.153 340 L CA 0.145 55.024 54.840 0.065 0.000 0.808 340 L CB 1.423 43.495 42.059 0.022 0.000 1.126 340 L HN 0.495 nan 8.230 nan 0.000 0.460 341 S N 0.062 115.846 115.700 0.140 0.000 2.595 341 S HA 0.655 5.125 4.470 -0.000 0.000 0.281 341 S C -1.413 173.392 174.600 0.342 0.000 1.117 341 S CA -0.890 57.347 58.200 0.060 0.000 0.873 341 S CB 1.539 64.648 63.200 -0.152 0.000 1.108 341 S HN 0.599 nan 8.310 nan 0.000 0.477 342 W N 1.198 122.618 121.300 0.200 0.000 2.606 342 W HA 0.754 5.413 4.660 -0.000 0.000 0.332 342 W C 0.611 177.208 176.519 0.131 0.000 1.052 342 W CA -0.869 56.684 57.345 0.347 0.000 1.223 342 W CB 0.627 30.380 29.460 0.488 0.000 1.383 342 W HN 0.706 nan 8.180 nan 0.000 0.524 343 E N 1.363 121.614 120.200 0.086 0.000 2.051 343 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 343 E C 0.766 177.405 176.600 0.064 0.000 0.991 343 E CA 1.997 58.364 56.400 -0.054 0.000 0.799 343 E CB 0.102 29.677 29.700 -0.209 0.000 0.748 343 E HN 0.477 nan 8.360 nan 0.000 0.449 344 S N -1.782 114.090 115.700 0.287 0.000 2.656 344 S HA 0.192 4.662 4.470 -0.000 0.000 0.273 344 S C 0.363 175.257 174.600 0.490 0.000 1.168 344 S CA -0.923 57.464 58.200 0.312 0.000 0.817 344 S CB 1.432 64.755 63.200 0.205 0.000 1.146 344 S HN -0.090 nan 8.310 nan 0.000 0.475 345 E N 0.770 121.181 120.200 0.351 0.000 2.072 345 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 345 E C 2.299 179.013 176.600 0.190 0.000 0.985 345 E CA 1.546 58.107 56.400 0.268 0.000 0.801 345 E CB -0.739 29.070 29.700 0.180 0.000 0.750 345 E HN 0.725 nan 8.360 nan 0.000 0.452 346 A N 0.857 123.783 122.820 0.176 0.000 1.883 346 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 346 A C 2.157 179.825 177.584 0.140 0.000 1.186 346 A CA 1.677 53.790 52.037 0.127 0.000 0.624 346 A CB -1.005 18.067 19.000 0.121 0.000 0.822 346 A HN 0.359 nan 8.150 nan 0.000 0.444 347 Y N -0.071 120.299 120.300 0.118 0.000 2.097 347 Y HA -0.204 4.346 4.550 -0.000 0.000 0.282 347 Y C 2.133 178.109 175.900 0.127 0.000 1.152 347 Y CA 2.079 60.245 58.100 0.110 0.000 1.136 347 Y CB -0.409 38.130 38.460 0.132 0.000 0.975 347 Y HN 0.268 nan 8.280 nan 0.000 0.498 348 L N 0.920 122.361 121.223 0.363 0.000 2.013 348 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 348 L C 2.428 179.309 176.870 0.019 0.000 1.073 348 L CA 1.851 56.836 54.840 0.243 0.000 0.753 348 L CB -0.681 41.375 42.059 -0.005 0.000 0.890 348 L HN 0.159 nan 8.230 nan 0.000 0.432 349 R N -0.768 119.723 120.500 -0.014 0.000 2.082 349 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 349 R C 2.395 178.654 176.300 -0.068 0.000 1.136 349 R CA 1.498 57.565 56.100 -0.055 0.000 0.935 349 R CB -0.849 29.434 30.300 -0.029 0.000 0.842 349 R HN 0.257 nan 8.270 nan 0.000 0.430 350 R N 1.385 121.830 120.500 -0.091 0.000 2.091 350 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 350 R C 2.035 178.251 176.300 -0.140 0.000 1.136 350 R CA 1.953 57.981 56.100 -0.119 0.000 0.959 350 R CB -1.001 29.207 30.300 -0.153 0.000 0.856 350 R HN 0.311 nan 8.270 nan 0.000 0.437 351 A N -0.403 122.289 122.820 -0.213 0.000 1.902 351 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 351 A C 2.379 180.052 177.584 0.149 0.000 1.181 351 A CA 1.779 53.752 52.037 -0.106 0.000 0.623 351 A CB -0.564 18.373 19.000 -0.104 0.000 0.818 351 A HN 0.169 nan 8.150 nan 0.000 0.443 352 V N -0.129 119.819 119.914 0.057 0.000 2.453 352 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 352 V C 2.426 178.550 176.094 0.050 0.000 1.048 352 V CA 2.101 64.374 62.300 -0.046 0.000 1.049 352 V CB -0.756 30.909 31.823 -0.264 0.000 0.672 352 V HN 0.772 nan 8.190 nan 0.000 0.457 353 E N 0.629 120.830 120.200 0.002 0.000 2.058 353 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 353 E C 2.097 178.713 176.600 0.027 0.000 0.997 353 E CA 1.508 57.906 56.400 -0.003 0.000 0.801 353 E CB -0.180 29.504 29.700 -0.027 0.000 0.746 353 E HN 0.606 nan 8.360 nan 0.000 0.450 354 L N -0.011 121.235 121.223 0.038 0.000 2.275 354 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 354 L C 2.316 179.248 176.870 0.103 0.000 1.119 354 L CA 0.350 55.216 54.840 0.043 0.000 0.790 354 L CB -0.197 41.870 42.059 0.013 0.000 0.919 354 L HN 0.278 nan 8.230 nan 0.000 0.443 355 M N -1.391 118.341 119.600 0.221 0.000 2.534 355 M HA 0.039 4.519 4.480 -0.000 0.000 0.263 355 M C 2.097 178.580 176.300 0.306 0.000 1.152 355 M CA 0.742 56.270 55.300 0.378 0.000 1.145 355 M CB -0.638 32.387 32.600 0.707 0.000 1.333 355 M HN 0.118 nan 8.290 nan 0.000 0.477 356 R N 0.803 121.390 120.500 0.145 0.000 2.227 356 R HA -0.203 4.137 4.340 -0.000 0.000 0.259 356 R C -0.961 175.090 176.300 -0.416 0.000 1.139 356 R CA 2.149 58.107 56.100 -0.236 0.000 0.969 356 R CB -1.825 28.392 30.300 -0.138 0.000 0.903 356 R HN 0.287 nan 8.270 nan 0.000 0.452 357 P HA 0.058 nan 4.420 nan 0.000 0.253 357 P C 0.072 177.304 177.300 -0.113 0.000 1.260 357 P CA 0.729 63.732 63.100 -0.162 0.000 0.800 357 P CB 0.047 31.699 31.700 -0.080 0.000 1.162 358 R N -0.446 120.012 120.500 -0.071 0.000 2.476 358 R HA 0.276 4.616 4.340 -0.000 0.000 0.276 358 R C -0.039 176.356 176.300 0.158 0.000 0.941 358 R CA -0.077 56.061 56.100 0.063 0.000 1.088 358 R CB 0.196 30.580 30.300 0.140 0.000 1.216 358 R HN 0.213 nan 8.270 nan 0.000 0.533 359 F N -2.823 117.138 119.950 0.018 0.000 2.581 359 F HA 0.502 5.028 4.527 -0.000 0.000 0.311 359 F C -0.299 175.469 175.800 -0.053 0.000 1.113 359 F CA -1.249 56.747 58.000 -0.007 0.000 0.935 359 F CB 1.479 40.495 39.000 0.026 0.000 1.232 359 F HN -0.276 nan 8.300 nan 0.000 0.445 360 D N 1.104 121.535 120.400 0.052 0.000 2.369 360 D HA 0.131 4.771 4.640 -0.000 0.000 0.211 360 D C 0.043 176.284 176.300 -0.097 0.000 1.077 360 D CA 0.820 54.786 54.000 -0.056 0.000 0.842 360 D CB 0.849 41.641 40.800 -0.014 0.000 0.947 360 D HN 0.716 nan 8.370 nan 0.000 0.509 361 T N -2.739 111.792 114.554 -0.038 0.000 2.956 361 T HA 0.357 4.707 4.350 -0.000 0.000 0.312 361 T C 1.248 175.809 174.700 -0.232 0.000 1.151 361 T CA -0.718 61.205 62.100 -0.296 0.000 1.024 361 T CB 1.275 69.810 68.868 -0.556 0.000 1.140 361 T HN -0.205 nan 8.240 nan 0.000 0.473 362 L N 0.724 121.654 121.223 -0.489 0.000 2.081 362 L HA -0.159 4.180 4.340 -0.000 0.000 0.212 362 L C 2.796 179.193 176.870 -0.788 0.000 1.080 362 L CA 1.745 56.105 54.840 -0.800 0.000 0.754 362 L CB -0.642 40.554 42.059 -1.438 0.000 0.893 362 L HN 0.769 nan 8.230 nan 0.000 0.433 363 K N 0.656 120.641 120.400 -0.693 0.000 2.063 363 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 363 K C 1.937 178.447 176.600 -0.150 0.000 1.048 363 K CA 1.468 57.634 56.287 -0.201 0.000 0.928 363 K CB -0.026 32.407 32.500 -0.112 0.000 0.713 363 K HN 0.283 nan 8.250 nan 0.000 0.442 364 E N -0.762 119.337 120.200 -0.168 0.000 2.265 364 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 364 E C 1.574 178.091 176.600 -0.139 0.000 0.996 364 E CA 0.689 57.041 56.400 -0.081 0.000 0.832 364 E CB -0.116 29.603 29.700 0.033 0.000 0.756 364 E HN 0.310 nan 8.360 nan 0.000 0.491 365 F N 1.920 121.568 119.950 -0.505 0.000 2.060 365 F HA -0.064 4.463 4.527 -0.000 0.000 0.295 365 F C -1.091 174.507 175.800 -0.335 0.000 1.120 365 F CA 0.845 58.439 58.000 -0.677 0.000 1.205 365 F CB -0.976 37.378 39.000 -1.076 0.000 0.986 365 F HN -0.031 nan 8.300 nan 0.000 0.470 366 P HA -0.098 nan 4.420 nan 0.000 0.231 366 P C 0.886 178.044 177.300 -0.238 0.000 1.158 366 P CA 1.382 64.263 63.100 -0.365 0.000 0.763 366 P CB -0.101 31.512 31.700 -0.144 0.000 0.805 367 E N -0.169 119.916 120.200 -0.192 0.000 2.075 367 E HA -0.038 4.311 4.350 -0.000 0.000 0.190 367 E C 1.551 178.113 176.600 -0.064 0.000 0.969 367 E CA 0.869 57.217 56.400 -0.087 0.000 0.815 367 E CB -0.000 29.671 29.700 -0.048 0.000 0.776 367 E HN 0.259 nan 8.360 nan 0.000 0.457 368 K N -0.170 120.165 120.400 -0.109 0.000 2.323 368 K HA 0.183 4.503 4.320 -0.000 0.000 0.197 368 K C 0.939 177.500 176.600 -0.065 0.000 1.043 368 K CA 0.557 56.833 56.287 -0.019 0.000 0.997 368 K CB 0.842 33.359 32.500 0.028 0.000 0.807 368 K HN -0.080 nan 8.250 nan 0.000 0.497 369 A N 1.366 123.957 122.820 -0.381 0.000 2.793 369 A HA 0.188 4.508 4.320 -0.000 0.000 0.301 369 A C 1.291 178.551 177.584 -0.540 0.000 1.172 369 A CA -0.395 51.236 52.037 -0.677 0.000 0.973 369 A CB -0.172 18.381 19.000 -0.745 0.000 1.164 369 A HN 0.115 nan 8.150 nan 0.000 0.542 370 R N -0.170 120.184 120.500 -0.243 0.000 2.081 370 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 370 R C 1.604 177.932 176.300 0.046 0.000 1.131 370 R CA 2.328 58.426 56.100 -0.002 0.000 0.960 370 R CB -0.402 29.958 30.300 0.100 0.000 0.856 370 R HN 0.772 nan 8.270 nan 0.000 0.436 371 Y N -0.909 119.359 120.300 -0.054 0.000 2.569 371 Y HA -0.039 4.511 4.550 -0.000 0.000 0.293 371 Y C 1.516 177.313 175.900 -0.171 0.000 1.144 371 Y CA 0.360 58.303 58.100 -0.262 0.000 1.321 371 Y CB -0.554 37.474 38.460 -0.720 0.000 0.982 371 Y HN 0.018 nan 8.280 nan 0.000 0.558 372 L N -1.323 119.596 121.223 -0.508 0.000 2.591 372 L HA 0.086 4.426 4.340 -0.000 0.000 0.228 372 L C 0.492 176.997 176.870 -0.609 0.000 1.133 372 L CA 0.568 55.094 54.840 -0.524 0.000 0.880 372 L CB -0.149 41.447 42.059 -0.771 0.000 1.033 372 L HN 0.271 nan 8.230 nan 0.000 0.450 373 F N -2.325 117.636 119.950 0.017 0.000 2.871 373 F HA 0.202 4.729 4.527 -0.000 0.000 0.344 373 F C 0.664 176.500 175.800 0.060 0.000 1.078 373 F CA -0.148 57.894 58.000 0.070 0.000 1.149 373 F CB 0.979 40.038 39.000 0.098 0.000 1.087 373 F HN -0.219 nan 8.300 nan 0.000 0.557 374 T N -1.306 113.379 114.554 0.218 0.000 2.840 374 T HA 0.261 4.610 4.350 -0.000 0.000 0.317 374 T C 0.126 175.004 174.700 0.297 0.000 1.401 374 T CA -0.227 61.997 62.100 0.206 0.000 1.028 374 T CB 1.674 70.657 68.868 0.191 0.000 1.317 374 T HN -0.150 nan 8.240 nan 0.000 0.495 375 E N 1.173 121.505 120.200 0.221 0.000 2.299 375 E HA 0.085 4.435 4.350 -0.000 0.000 0.193 375 E C 0.344 176.984 176.600 0.067 0.000 0.998 375 E CA 0.550 57.080 56.400 0.217 0.000 0.851 375 E CB 0.063 29.819 29.700 0.092 0.000 0.795 375 E HN 0.668 nan 8.360 nan 0.000 0.492 376 D N 0.340 120.792 120.400 0.087 0.000 2.517 376 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 376 D C -0.894 175.468 176.300 0.102 0.000 1.158 376 D CA -0.455 53.549 54.000 0.006 0.000 0.992 376 D CB -0.700 40.112 40.800 0.020 0.000 1.058 376 D HN 0.054 nan 8.370 nan 0.000 0.516 377 Y N 0.437 120.777 120.300 0.066 0.000 2.536 377 Y HA 0.737 5.287 4.550 -0.000 0.000 0.347 377 Y C -2.586 173.344 175.900 0.049 0.000 1.000 377 Y CA -2.676 55.474 58.100 0.082 0.000 1.051 377 Y CB 0.314 38.861 38.460 0.144 0.000 1.259 377 Y HN 0.019 nan 8.280 nan 0.000 0.468 378 P HA 0.360 nan 4.420 nan 0.000 0.276 378 P C -1.191 176.191 177.300 0.136 0.000 1.252 378 P CA -0.457 62.699 63.100 0.092 0.000 0.802 378 P CB 2.111 33.863 31.700 0.087 0.000 1.035 379 V N 0.673 120.619 119.914 0.054 0.000 2.483 379 V HA 0.252 4.372 4.120 -0.000 0.000 0.297 379 V C 0.725 176.837 176.094 0.030 0.000 1.027 379 V CA -0.679 61.654 62.300 0.056 0.000 0.855 379 V CB 1.119 32.957 31.823 0.025 0.000 0.995 379 V HN 0.819 nan 8.190 nan 0.000 0.424 380 S N 2.709 118.424 115.700 0.025 0.000 2.593 380 S HA 0.253 4.722 4.470 -0.000 0.000 0.269 380 S C 0.899 175.504 174.600 0.008 0.000 1.334 380 S CA -0.112 58.096 58.200 0.014 0.000 1.015 380 S CB 1.393 64.597 63.200 0.007 0.000 0.912 380 S HN 0.779 nan 8.310 nan 0.000 0.541 381 E N 1.419 121.623 120.200 0.007 0.000 2.012 381 E HA -0.182 4.167 4.350 -0.000 0.000 0.197 381 E C 1.776 178.378 176.600 0.003 0.000 1.007 381 E CA 1.351 57.754 56.400 0.005 0.000 0.816 381 E CB -0.135 29.568 29.700 0.005 0.000 0.762 381 E HN 0.637 nan 8.360 nan 0.000 0.451 382 K N 0.133 120.534 120.400 0.002 0.000 2.144 382 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 382 K C 2.026 178.624 176.600 -0.004 0.000 1.047 382 K CA 1.327 57.614 56.287 -0.001 0.000 0.927 382 K CB -0.548 31.951 32.500 -0.003 0.000 0.716 382 K HN 0.157 nan 8.250 nan 0.000 0.454 383 A N 1.417 124.233 122.820 -0.006 0.000 1.855 383 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 383 A C 2.329 179.913 177.584 -0.001 0.000 1.191 383 A CA 1.486 53.517 52.037 -0.010 0.000 0.613 383 A CB -0.449 18.544 19.000 -0.012 0.000 0.829 383 A HN 0.198 nan 8.150 nan 0.000 0.442 384 Q N -0.127 119.675 119.800 0.003 0.000 2.061 384 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 384 Q C 2.163 178.165 176.000 0.004 0.000 0.984 384 Q CA 2.091 57.897 55.803 0.004 0.000 0.846 384 Q CB -0.421 28.318 28.738 0.003 0.000 0.902 384 Q HN 0.594 nan 8.270 nan 0.000 0.421 385 R N -0.353 120.149 120.500 0.003 0.000 2.091 385 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 385 R C 2.015 178.318 176.300 0.005 0.000 1.136 385 R CA 1.677 57.779 56.100 0.004 0.000 0.959 385 R CB -0.111 30.191 30.300 0.003 0.000 0.856 385 R HN -0.015 nan 8.270 nan 0.000 0.437 386 K N -0.266 120.136 120.400 0.003 0.000 2.155 386 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 386 K C 1.655 178.259 176.600 0.007 0.000 1.052 386 K CA 0.780 57.069 56.287 0.003 0.000 0.948 386 K CB -0.216 32.282 32.500 -0.004 0.000 0.728 386 K HN 0.095 nan 8.250 nan 0.000 0.448 387 L N 1.046 122.272 121.223 0.006 0.000 2.007 387 L HA -0.054 4.285 4.340 -0.000 0.000 0.205 387 L C 1.651 178.528 176.870 0.012 0.000 1.073 387 L CA 1.768 56.614 54.840 0.010 0.000 0.744 387 L CB -0.460 41.605 42.059 0.011 0.000 0.898 387 L HN 0.190 nan 8.230 nan 0.000 0.435 388 E N -0.382 119.824 120.200 0.010 0.000 2.085 388 E HA -0.263 4.086 4.350 -0.000 0.000 0.194 388 E C 2.050 178.659 176.600 0.014 0.000 0.994 388 E CA 1.577 57.983 56.400 0.010 0.000 0.801 388 E CB -0.165 29.540 29.700 0.007 0.000 0.743 388 E HN 0.612 nan 8.360 nan 0.000 0.453 389 E N -0.461 119.747 120.200 0.014 0.000 2.204 389 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 389 E C 1.699 178.314 176.600 0.025 0.000 0.990 389 E CA 0.902 57.312 56.400 0.018 0.000 0.821 389 E CB 0.031 29.740 29.700 0.015 0.000 0.750 389 E HN 0.262 nan 8.360 nan 0.000 0.477 390 G N -0.203 108.614 108.800 0.028 0.000 3.324 390 G HA2 0.052 4.012 3.960 -0.000 0.000 0.251 390 G HA3 0.052 4.012 3.960 -0.000 0.000 0.251 390 G C 1.198 176.124 174.900 0.044 0.000 1.072 390 G CA -0.351 44.773 45.100 0.041 0.000 0.787 390 G HN 0.049 nan 8.290 nan 0.000 0.537 391 L N 0.848 122.090 121.223 0.032 0.000 2.051 391 L HA -0.084 4.256 4.340 -0.000 0.000 0.214 391 L C 0.147 177.042 176.870 0.042 0.000 1.076 391 L CA 2.025 56.883 54.840 0.029 0.000 0.758 391 L CB -0.496 41.574 42.059 0.018 0.000 0.890 391 L HN 0.136 nan 8.230 nan 0.000 0.433 392 P HA -0.246 nan 4.420 nan 0.000 0.210 392 P C 1.818 179.178 177.300 0.102 0.000 1.185 392 P CA 1.743 64.880 63.100 0.063 0.000 0.924 392 P CB -0.245 31.488 31.700 0.056 0.000 0.786 393 L N -2.608 118.695 121.223 0.133 0.000 2.353 393 L HA -0.108 4.232 4.340 -0.000 0.000 0.220 393 L C 1.961 178.951 176.870 0.200 0.000 1.133 393 L CA 1.484 56.472 54.840 0.246 0.000 0.798 393 L CB -1.097 41.142 42.059 0.299 0.000 0.922 393 L HN -0.054 nan 8.230 nan 0.000 0.445 394 L N 0.350 121.628 121.223 0.091 0.000 2.027 394 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 394 L C 2.889 179.790 176.870 0.053 0.000 1.074 394 L CA 1.242 56.096 54.840 0.023 0.000 0.745 394 L CB -0.456 41.620 42.059 0.029 0.000 0.898 394 L HN 0.270 nan 8.230 nan 0.000 0.433 395 K N 0.111 120.556 120.400 0.076 0.000 2.103 395 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 395 K C 1.715 178.397 176.600 0.138 0.000 1.048 395 K CA 1.253 57.590 56.287 0.084 0.000 0.930 395 K CB -0.296 32.235 32.500 0.052 0.000 0.716 395 K HN 0.425 nan 8.250 nan 0.000 0.444 396 E N 0.463 120.769 120.200 0.176 0.000 2.516 396 E HA -0.108 4.242 4.350 -0.000 0.000 0.199 396 E C 1.442 178.240 176.600 0.330 0.000 1.069 396 E CA 0.235 56.802 56.400 0.277 0.000 0.876 396 E CB 0.145 30.073 29.700 0.381 0.000 0.843 396 E HN 0.090 nan 8.360 nan 0.000 0.530 397 L N -1.523 119.728 121.223 0.045 0.000 2.624 397 L HA 0.066 4.406 4.340 -0.000 0.000 0.222 397 L C 1.787 178.623 176.870 -0.056 0.000 1.046 397 L CA 0.419 55.096 54.840 -0.271 0.000 0.872 397 L CB -0.397 41.123 42.059 -0.898 0.000 1.190 397 L HN 0.025 nan 8.230 nan 0.000 0.487 398 Y N 2.823 123.084 120.300 -0.066 0.000 2.096 398 Y HA -0.222 4.328 4.550 -0.000 0.000 0.278 398 Y C -0.804 175.110 175.900 0.022 0.000 1.192 398 Y CA 2.786 60.880 58.100 -0.009 0.000 1.143 398 Y CB -1.537 36.926 38.460 0.006 0.000 0.963 398 Y HN 0.259 nan 8.280 nan 0.000 0.505 399 P HA -0.210 nan 4.420 nan 0.000 0.215 399 P C 0.986 178.253 177.300 -0.057 0.000 1.153 399 P CA 1.933 65.055 63.100 0.036 0.000 0.853 399 P CB -0.215 31.570 31.700 0.141 0.000 0.788 400 R N -0.586 119.909 120.500 -0.009 0.000 2.096 400 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 400 R C 2.207 178.495 176.300 -0.020 0.000 1.127 400 R CA 1.045 57.150 56.100 0.008 0.000 0.968 400 R CB -1.592 28.736 30.300 0.047 0.000 0.861 400 R HN 0.254 nan 8.270 nan 0.000 0.440 401 L N 0.648 121.825 121.223 -0.076 0.000 2.156 401 L HA 0.040 4.379 4.340 -0.000 0.000 0.208 401 L C 2.323 179.144 176.870 -0.082 0.000 1.095 401 L CA 1.262 56.117 54.840 0.025 0.000 0.770 401 L CB -1.157 40.926 42.059 0.040 0.000 0.914 401 L HN 0.122 nan 8.230 nan 0.000 0.439 402 R N -0.447 119.839 120.500 -0.358 0.000 2.316 402 R HA -0.006 4.334 4.340 -0.000 0.000 0.202 402 R C 1.756 177.961 176.300 -0.158 0.000 1.029 402 R CA 0.802 56.686 56.100 -0.360 0.000 1.018 402 R CB 0.225 30.235 30.300 -0.483 0.000 0.888 402 R HN 0.359 nan 8.270 nan 0.000 0.471 403 A N -0.506 122.266 122.820 -0.080 0.000 1.969 403 A HA 0.105 4.425 4.320 -0.000 0.000 0.205 403 A C 0.414 178.011 177.584 0.021 0.000 1.364 403 A CA -0.228 51.795 52.037 -0.023 0.000 0.756 403 A CB 0.050 19.049 19.000 -0.002 0.000 0.988 403 A HN 0.175 nan 8.150 nan 0.000 0.490 404 Q N 0.975 120.820 119.800 0.074 0.000 2.955 404 Q HA -0.127 4.213 4.340 -0.000 0.000 0.361 404 Q C 0.815 176.907 176.000 0.153 0.000 1.060 404 Q CA 0.426 56.307 55.803 0.129 0.000 1.177 404 Q CB 0.510 29.364 28.738 0.194 0.000 0.991 404 Q HN 0.721 nan 8.270 nan 0.000 0.414 405 E N 3.582 123.842 120.200 0.100 0.000 2.051 405 E HA -0.103 4.247 4.350 -0.000 0.000 0.189 405 E C -0.375 176.307 176.600 0.136 0.000 0.979 405 E CA 0.512 56.961 56.400 0.082 0.000 0.803 405 E CB 0.344 30.071 29.700 0.044 0.000 0.761 405 E HN 0.597 nan 8.360 nan 0.000 0.451 406 E N 1.088 121.366 120.200 0.129 0.000 1.791 406 E HA -0.050 4.299 4.350 -0.000 0.000 0.263 406 E C -0.742 175.975 176.600 0.196 0.000 1.213 406 E CA -0.359 56.118 56.400 0.129 0.000 0.991 406 E CB -0.233 29.502 29.700 0.060 0.000 1.068 406 E HN 0.307 nan 8.360 nan 0.000 0.417 407 W N 5.885 127.178 121.300 -0.011 0.000 1.371 407 W HA 0.007 4.667 4.660 -0.000 0.000 0.482 407 W C -0.130 176.390 176.519 0.002 0.000 0.640 407 W CA -0.031 57.311 57.345 -0.005 0.000 2.164 407 W CB 0.099 29.558 29.460 -0.001 0.000 1.613 407 W HN 0.347 nan 8.180 nan 0.000 0.212 408 T N -1.967 112.557 114.554 -0.051 0.000 2.908 408 T HA 0.234 4.583 4.350 -0.000 0.000 0.290 408 T C 0.876 175.489 174.700 -0.144 0.000 1.034 408 T CA -0.572 61.487 62.100 -0.069 0.000 1.010 408 T CB 2.110 70.964 68.868 -0.023 0.000 1.068 408 T HN 0.312 nan 8.240 nan 0.000 0.481 409 E N 0.992 121.136 120.200 -0.093 0.000 2.130 409 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 409 E C 2.240 178.745 176.600 -0.157 0.000 0.998 409 E CA 1.422 57.782 56.400 -0.066 0.000 0.806 409 E CB -0.262 29.444 29.700 0.011 0.000 0.738 409 E HN 0.789 nan 8.360 nan 0.000 0.459 410 A N 1.323 124.063 122.820 -0.133 0.000 1.872 410 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 410 A C 2.359 179.829 177.584 -0.190 0.000 1.187 410 A CA 1.417 53.360 52.037 -0.157 0.000 0.614 410 A CB -0.611 18.334 19.000 -0.090 0.000 0.826 410 A HN 0.286 nan 8.150 nan 0.000 0.442 411 A N -0.245 122.488 122.820 -0.146 0.000 1.845 411 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 411 A C 1.983 179.456 177.584 -0.186 0.000 1.195 411 A CA 1.699 53.660 52.037 -0.127 0.000 0.616 411 A CB -0.735 18.223 19.000 -0.071 0.000 0.832 411 A HN 0.363 nan 8.150 nan 0.000 0.443 412 L N 0.156 121.232 121.223 -0.244 0.000 2.043 412 L HA -0.217 4.122 4.340 -0.000 0.000 0.212 412 L C 2.408 179.082 176.870 -0.327 0.000 1.075 412 L CA 2.340 57.006 54.840 -0.290 0.000 0.752 412 L CB -1.465 40.372 42.059 -0.370 0.000 0.891 412 L HN 0.678 nan 8.230 nan 0.000 0.432 413 E N -0.796 119.068 120.200 -0.561 0.000 2.153 413 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 413 E C 2.186 178.517 176.600 -0.448 0.000 0.988 413 E CA 1.038 56.867 56.400 -0.953 0.000 0.811 413 E CB 0.158 29.034 29.700 -1.373 0.000 0.746 413 E HN 0.454 nan 8.360 nan 0.000 0.466 414 A N 0.983 123.630 122.820 -0.287 0.000 1.855 414 A HA -0.164 4.155 4.320 -0.000 0.000 0.215 414 A C 2.110 179.642 177.584 -0.088 0.000 1.191 414 A CA 1.180 53.124 52.037 -0.155 0.000 0.613 414 A CB -0.763 18.169 19.000 -0.114 0.000 0.829 414 A HN 0.351 nan 8.150 nan 0.000 0.442 415 L N 0.077 121.252 121.223 -0.080 0.000 1.971 415 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 415 L C 2.479 179.371 176.870 0.037 0.000 1.072 415 L CA 1.965 56.796 54.840 -0.015 0.000 0.758 415 L CB -0.565 41.475 42.059 -0.030 0.000 0.889 415 L HN 0.458 nan 8.230 nan 0.000 0.433 416 L N -1.124 120.100 121.223 0.001 0.000 2.012 416 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 416 L C 2.800 179.746 176.870 0.127 0.000 1.073 416 L CA 1.298 56.185 54.840 0.078 0.000 0.748 416 L CB -0.818 41.292 42.059 0.086 0.000 0.891 416 L HN 0.268 nan 8.230 nan 0.000 0.431 417 R N 0.349 120.873 120.500 0.040 0.000 2.091 417 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 417 R C 2.350 178.686 176.300 0.060 0.000 1.136 417 R CA 1.546 57.673 56.100 0.044 0.000 0.959 417 R CB -1.156 29.133 30.300 -0.018 0.000 0.856 417 R HN 0.481 nan 8.270 nan 0.000 0.437 418 G N 0.832 109.663 108.800 0.052 0.000 2.446 418 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 418 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 418 G C 1.377 176.329 174.900 0.086 0.000 1.168 418 G CA 0.603 45.734 45.100 0.052 0.000 0.771 418 G HN 0.267 nan 8.290 nan 0.000 0.551 419 F N 2.267 122.216 119.950 -0.001 0.000 2.011 419 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 419 F C 2.976 178.784 175.800 0.014 0.000 1.144 419 F CA 2.251 60.258 58.000 0.011 0.000 1.185 419 F CB -0.419 38.592 39.000 0.019 0.000 0.961 419 F HN 0.247 nan 8.300 nan 0.000 0.485 420 A N 0.252 123.201 122.820 0.214 0.000 1.927 420 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 420 A C 2.335 179.901 177.584 -0.029 0.000 1.185 420 A CA 2.344 54.434 52.037 0.088 0.000 0.639 420 A CB -1.704 17.378 19.000 0.138 0.000 0.820 420 A HN 0.630 nan 8.150 nan 0.000 0.451 421 A N 0.571 123.381 122.820 -0.016 0.000 1.835 421 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 421 A C 1.981 179.517 177.584 -0.081 0.000 1.199 421 A CA 1.933 53.950 52.037 -0.034 0.000 0.615 421 A CB -0.861 18.129 19.000 -0.016 0.000 0.838 421 A HN 0.803 nan 8.150 nan 0.000 0.444 422 E N -1.022 119.110 120.200 -0.114 0.000 2.396 422 E HA -0.209 4.140 4.350 -0.000 0.000 0.200 422 E C 1.241 177.714 176.600 -0.213 0.000 1.023 422 E CA 1.632 57.944 56.400 -0.146 0.000 0.857 422 E CB -0.074 29.537 29.700 -0.148 0.000 0.775 422 E HN 0.337 nan 8.360 nan 0.000 0.525 423 K N 0.283 120.520 120.400 -0.272 0.000 2.373 423 K HA 0.209 4.528 4.320 -0.000 0.000 0.202 423 K C 0.147 176.667 176.600 -0.134 0.000 1.025 423 K CA 0.476 56.602 56.287 -0.268 0.000 1.115 423 K CB 0.641 32.881 32.500 -0.434 0.000 0.858 423 K HN 0.266 nan 8.250 nan 0.000 0.525 424 G N 0.952 109.695 108.800 -0.095 0.000 2.352 424 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.283 424 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.283 424 G C -0.483 174.397 174.900 -0.034 0.000 0.946 424 G CA 0.723 45.792 45.100 -0.052 0.000 1.317 424 G HN 0.227 nan 8.290 nan 0.000 0.478 425 V N 1.190 121.091 119.914 -0.022 0.000 3.147 425 V HA 0.660 4.779 4.120 -0.000 0.000 0.299 425 V C -0.498 175.610 176.094 0.025 0.000 1.302 425 V CA -1.411 60.893 62.300 0.006 0.000 1.015 425 V CB 2.088 33.923 31.823 0.019 0.000 1.086 425 V HN 0.433 nan 8.190 nan 0.000 0.437 426 K N 3.177 123.596 120.400 0.032 0.000 2.322 426 K HA 0.198 4.517 4.320 -0.000 0.000 0.283 426 K C 0.880 177.515 176.600 0.058 0.000 1.042 426 K CA -0.083 56.227 56.287 0.038 0.000 0.958 426 K CB 1.188 33.705 32.500 0.029 0.000 0.984 426 K HN 0.705 nan 8.250 nan 0.000 0.473 427 L N 5.848 127.112 121.223 0.068 0.000 2.017 427 L HA -0.278 4.061 4.340 -0.000 0.000 0.234 427 L C 1.918 178.835 176.870 0.078 0.000 1.097 427 L CA 2.942 57.837 54.840 0.093 0.000 0.816 427 L CB -1.424 40.696 42.059 0.102 0.000 0.914 427 L HN 0.922 nan 8.230 nan 0.000 0.444 428 G N -1.471 107.360 108.800 0.050 0.000 2.606 428 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.223 428 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.223 428 G C 1.363 176.283 174.900 0.033 0.000 1.106 428 G CA 1.051 46.167 45.100 0.027 0.000 0.745 428 G HN 0.700 nan 8.290 nan 0.000 0.597 429 Q N -0.525 119.305 119.800 0.049 0.000 2.226 429 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 429 Q C 2.673 178.718 176.000 0.076 0.000 0.975 429 Q CA 1.413 57.250 55.803 0.056 0.000 0.866 429 Q CB -0.271 28.503 28.738 0.060 0.000 0.915 429 Q HN 0.526 nan 8.270 nan 0.000 0.440 430 V N -0.324 119.649 119.914 0.097 0.000 2.788 430 V HA 0.109 4.229 4.120 -0.000 0.000 0.241 430 V C 2.016 178.134 176.094 0.040 0.000 1.083 430 V CA 1.247 63.608 62.300 0.102 0.000 1.103 430 V CB -0.029 31.905 31.823 0.186 0.000 0.800 430 V HN 0.224 nan 8.190 nan 0.000 0.476 431 A N -0.303 122.540 122.820 0.038 0.000 1.883 431 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 431 A C 2.085 179.648 177.584 -0.035 0.000 1.186 431 A CA 2.451 54.483 52.037 -0.008 0.000 0.624 431 A CB -0.754 18.232 19.000 -0.023 0.000 0.822 431 A HN 0.621 nan 8.150 nan 0.000 0.444 432 Q N -0.289 119.498 119.800 -0.022 0.000 2.020 432 Q HA -0.079 4.260 4.340 -0.000 0.000 0.202 432 Q C -0.597 175.388 176.000 -0.025 0.000 0.982 432 Q CA 2.429 58.213 55.803 -0.030 0.000 0.838 432 Q CB -0.828 27.899 28.738 -0.018 0.000 0.899 432 Q HN 0.537 nan 8.270 nan 0.000 0.423 433 P HA -0.171 nan 4.420 nan 0.000 0.218 433 P C 1.235 178.530 177.300 -0.009 0.000 1.148 433 P CA 0.939 64.038 63.100 -0.001 0.000 0.822 433 P CB 0.005 31.714 31.700 0.016 0.000 0.784 434 L N 0.801 122.014 121.223 -0.016 0.000 2.072 434 L HA -0.028 4.311 4.340 -0.000 0.000 0.205 434 L C 2.866 179.714 176.870 -0.036 0.000 1.079 434 L CA 1.727 56.555 54.840 -0.020 0.000 0.752 434 L CB -1.471 40.570 42.059 -0.029 0.000 0.906 434 L HN -0.205 nan 8.230 nan 0.000 0.436 435 R N 0.139 120.603 120.500 -0.061 0.000 2.103 435 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 435 R C 2.060 178.294 176.300 -0.110 0.000 1.142 435 R CA 1.919 57.962 56.100 -0.096 0.000 0.960 435 R CB -0.691 29.544 30.300 -0.107 0.000 0.858 435 R HN 0.430 nan 8.270 nan 0.000 0.439 436 A N 0.352 123.127 122.820 -0.075 0.000 1.969 436 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 436 A C 2.377 179.947 177.584 -0.022 0.000 1.169 436 A CA 1.335 53.335 52.037 -0.062 0.000 0.635 436 A CB -0.695 18.285 19.000 -0.033 0.000 0.810 436 A HN 0.587 nan 8.150 nan 0.000 0.445 437 A N -0.472 122.345 122.820 -0.005 0.000 1.930 437 A HA 0.071 4.390 4.320 -0.000 0.000 0.217 437 A C 2.136 179.753 177.584 0.055 0.000 1.175 437 A CA 1.354 53.413 52.037 0.036 0.000 0.627 437 A CB -0.424 18.598 19.000 0.036 0.000 0.815 437 A HN 0.444 nan 8.150 nan 0.000 0.443 438 L N -0.835 120.386 121.223 -0.004 0.000 2.068 438 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 438 L C 2.865 179.622 176.870 -0.188 0.000 1.076 438 L CA 1.820 56.645 54.840 -0.025 0.000 0.753 438 L CB -0.163 41.880 42.059 -0.028 0.000 0.910 438 L HN 0.630 nan 8.230 nan 0.000 0.439 439 T N -4.691 109.645 114.554 -0.364 0.000 2.990 439 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 439 T C 1.383 175.673 174.700 -0.683 0.000 1.039 439 T CA 0.484 62.046 62.100 -0.897 0.000 1.036 439 T CB 0.548 68.662 68.868 -1.257 0.000 0.994 439 T HN 0.349 nan 8.240 nan 0.000 0.489 440 G N 0.662 109.333 108.800 -0.216 0.000 2.273 440 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 440 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 440 G C 0.539 175.387 174.900 -0.087 0.000 1.047 440 G CA 0.813 45.922 45.100 0.015 0.000 0.869 440 G HN 0.816 nan 8.290 nan 0.000 0.502 441 S N -1.884 113.691 115.700 -0.207 0.000 3.313 441 S HA 0.393 4.863 4.470 -0.000 0.000 0.247 441 S C 1.351 175.887 174.600 -0.106 0.000 1.058 441 S CA 1.423 59.521 58.200 -0.169 0.000 0.794 441 S CB -0.030 62.997 63.200 -0.289 0.000 0.842 441 S HN 1.258 nan 8.310 nan 0.000 0.526 442 L N 0.613 121.762 121.223 -0.123 0.000 4.383 442 L HA -0.075 4.265 4.340 -0.000 0.000 0.402 442 L C -0.395 176.439 176.870 -0.060 0.000 0.803 442 L CA 1.202 55.996 54.840 -0.077 0.000 2.175 442 L CB -1.467 40.564 42.059 -0.047 0.000 1.434 442 L HN 0.460 nan 8.230 nan 0.000 0.591 443 E N -0.416 119.748 120.200 -0.060 0.000 2.346 443 E HA 0.691 5.041 4.350 -0.000 0.000 0.239 443 E C -0.357 176.234 176.600 -0.014 0.000 0.943 443 E CA 0.156 56.541 56.400 -0.024 0.000 0.751 443 E CB 0.967 30.667 29.700 0.000 0.000 1.241 443 E HN 0.136 nan 8.360 nan 0.000 0.423 444 T N 2.355 116.900 114.554 -0.015 0.000 2.792 444 T HA 0.468 4.818 4.350 -0.000 0.000 0.303 444 T C -2.498 172.209 174.700 0.011 0.000 1.310 444 T CA -1.217 60.895 62.100 0.022 0.000 1.007 444 T CB 1.332 70.166 68.868 -0.056 0.000 1.335 444 T HN 0.207 nan 8.240 nan 0.000 0.504 445 P HA 0.307 nan 4.420 nan 0.000 0.306 445 P C 0.231 177.491 177.300 -0.067 0.000 1.301 445 P CA -0.270 62.829 63.100 -0.002 0.000 0.744 445 P CB -0.247 31.464 31.700 0.018 0.000 1.400 446 G N -0.636 108.107 108.800 -0.096 0.000 2.414 446 G HA2 0.087 4.047 3.960 -0.000 0.000 0.236 446 G HA3 0.087 4.047 3.960 -0.000 0.000 0.236 446 G C 0.815 175.544 174.900 -0.284 0.000 1.293 446 G CA -0.356 44.622 45.100 -0.204 0.000 0.869 446 G HN 0.482 nan 8.290 nan 0.000 0.556 447 L N 2.360 123.276 121.223 -0.511 0.000 2.017 447 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 447 L C 2.517 179.162 176.870 -0.376 0.000 1.073 447 L CA 1.824 56.377 54.840 -0.477 0.000 0.745 447 L CB -0.652 41.054 42.059 -0.588 0.000 0.894 447 L HN 0.558 nan 8.230 nan 0.000 0.432 448 F N 0.698 120.596 119.950 -0.085 0.000 2.171 448 F HA -0.149 4.377 4.527 -0.000 0.000 0.300 448 F C 2.487 178.214 175.800 -0.121 0.000 1.090 448 F CA 1.162 59.087 58.000 -0.125 0.000 1.293 448 F CB -1.456 37.477 39.000 -0.112 0.000 1.013 448 F HN 0.266 nan 8.300 nan 0.000 0.486 449 E N 0.643 120.852 120.200 0.015 0.000 2.107 449 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 449 E C 2.173 178.756 176.600 -0.029 0.000 0.982 449 E CA 1.079 57.475 56.400 -0.007 0.000 0.809 449 E CB -0.689 29.001 29.700 -0.018 0.000 0.756 449 E HN 0.288 nan 8.360 nan 0.000 0.459 450 I N 2.019 122.562 120.570 -0.044 0.000 2.142 450 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 450 I C 2.707 178.826 176.117 0.003 0.000 1.078 450 I CA 0.651 61.942 61.300 -0.014 0.000 1.343 450 I CB -1.405 36.589 38.000 -0.011 0.000 1.046 450 I HN 0.083 nan 8.210 nan 0.000 0.405 451 L N 0.467 121.667 121.223 -0.037 0.000 1.990 451 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 451 L C 2.699 179.523 176.870 -0.077 0.000 1.072 451 L CA 2.066 56.865 54.840 -0.068 0.000 0.755 451 L CB -0.490 41.463 42.059 -0.177 0.000 0.889 451 L HN 0.270 nan 8.230 nan 0.000 0.432 452 A N -0.220 122.516 122.820 -0.140 0.000 1.835 452 A HA -0.280 4.040 4.320 -0.000 0.000 0.215 452 A C 2.123 179.773 177.584 0.110 0.000 1.199 452 A CA 1.800 53.780 52.037 -0.097 0.000 0.615 452 A CB -1.044 17.906 19.000 -0.083 0.000 0.838 452 A HN 0.406 nan 8.150 nan 0.000 0.444 453 L N -0.490 120.767 121.223 0.057 0.000 2.011 453 L HA -0.272 4.067 4.340 -0.000 0.000 0.225 453 L C 2.257 179.239 176.870 0.187 0.000 1.084 453 L CA 2.523 57.396 54.840 0.055 0.000 0.791 453 L CB -0.757 41.263 42.059 -0.066 0.000 0.898 453 L HN 0.325 nan 8.230 nan 0.000 0.440 454 L N 0.067 121.417 121.223 0.212 0.000 2.043 454 L HA 0.098 4.438 4.340 -0.000 0.000 0.212 454 L C 1.310 178.339 176.870 0.265 0.000 1.075 454 L CA 1.486 56.480 54.840 0.256 0.000 0.752 454 L CB -1.392 40.795 42.059 0.213 0.000 0.891 454 L HN 0.693 nan 8.230 nan 0.000 0.432 455 G N -1.825 107.210 108.800 0.392 0.000 2.697 455 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 455 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 455 G C 0.263 175.202 174.900 0.064 0.000 1.179 455 G CA -0.011 45.272 45.100 0.305 0.000 0.765 455 G HN 0.187 nan 8.290 nan 0.000 0.649 456 K N 0.656 120.451 120.400 -1.008 0.000 1.990 456 K HA -0.241 4.079 4.320 -0.000 0.000 0.225 456 K C 2.234 178.422 176.600 -0.687 0.000 1.053 456 K CA 2.806 57.978 56.287 -1.858 0.000 0.982 456 K CB -0.329 31.147 32.500 -1.706 0.000 0.734 456 K HN 0.510 nan 8.250 nan 0.000 0.448 457 E N 0.222 120.167 120.200 -0.424 0.000 2.033 457 E HA -0.201 4.148 4.350 -0.000 0.000 0.199 457 E C 2.103 178.651 176.600 -0.087 0.000 1.011 457 E CA 1.243 57.519 56.400 -0.207 0.000 0.815 457 E CB -0.282 29.333 29.700 -0.141 0.000 0.755 457 E HN 0.195 nan 8.360 nan 0.000 0.451 458 R N 0.238 120.712 120.500 -0.042 0.000 2.112 458 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 458 R C 2.055 178.409 176.300 0.089 0.000 1.137 458 R CA 1.761 57.881 56.100 0.033 0.000 0.944 458 R CB -1.038 29.296 30.300 0.057 0.000 0.857 458 R HN 0.247 nan 8.270 nan 0.000 0.435 459 A N 0.865 123.774 122.820 0.150 0.000 1.835 459 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 459 A C 2.571 180.273 177.584 0.197 0.000 1.199 459 A CA 1.478 53.658 52.037 0.239 0.000 0.615 459 A CB -0.832 18.465 19.000 0.495 0.000 0.838 459 A HN 0.310 nan 8.150 nan 0.000 0.444 460 L N -0.971 120.346 121.223 0.156 0.000 1.990 460 L HA -0.245 4.094 4.340 -0.000 0.000 0.213 460 L C 2.876 179.857 176.870 0.185 0.000 1.072 460 L CA 1.871 56.809 54.840 0.163 0.000 0.755 460 L CB -0.657 41.416 42.059 0.022 0.000 0.889 460 L HN 0.475 nan 8.230 nan 0.000 0.432 461 R N 0.843 121.409 120.500 0.110 0.000 2.112 461 R HA -0.271 4.069 4.340 -0.000 0.000 0.242 461 R C 2.406 178.764 176.300 0.097 0.000 1.137 461 R CA 2.482 58.637 56.100 0.092 0.000 0.944 461 R CB -0.454 29.876 30.300 0.050 0.000 0.857 461 R HN 0.363 nan 8.270 nan 0.000 0.435 462 R N 0.818 121.384 120.500 0.109 0.000 2.082 462 R HA -0.125 4.214 4.340 -0.000 0.000 0.234 462 R C 2.455 178.827 176.300 0.120 0.000 1.136 462 R CA 1.870 58.043 56.100 0.122 0.000 0.935 462 R CB -0.782 29.607 30.300 0.148 0.000 0.842 462 R HN 0.378 nan 8.270 nan 0.000 0.430 463 L N 1.294 122.600 121.223 0.139 0.000 2.261 463 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 463 L C 1.276 178.209 176.870 0.104 0.000 1.114 463 L CA 1.986 56.906 54.840 0.133 0.000 0.777 463 L CB -0.844 41.319 42.059 0.173 0.000 0.910 463 L HN 0.402 nan 8.230 nan 0.000 0.440 464 E N 0.308 120.569 120.200 0.101 0.000 2.047 464 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 464 E C 2.159 178.749 176.600 -0.016 0.000 0.987 464 E CA 1.318 57.719 56.400 0.001 0.000 0.799 464 E CB -0.066 29.645 29.700 0.019 0.000 0.752 464 E HN 0.605 nan 8.360 nan 0.000 0.449 465 R N 0.997 121.507 120.500 0.017 0.000 2.083 465 R HA -0.131 4.208 4.340 -0.000 0.000 0.237 465 R C 2.483 178.785 176.300 0.003 0.000 1.137 465 R CA 1.271 57.374 56.100 0.006 0.000 0.951 465 R CB -0.564 29.747 30.300 0.019 0.000 0.851 465 R HN 0.103 nan 8.270 nan 0.000 0.434 466 A N 1.550 124.386 122.820 0.027 0.000 1.917 466 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 466 A C 2.187 179.773 177.584 0.004 0.000 1.182 466 A CA 1.403 53.455 52.037 0.026 0.000 0.633 466 A CB -0.555 18.476 19.000 0.052 0.000 0.819 466 A HN 0.222 nan 8.150 nan 0.000 0.448 467 L N -1.143 120.074 121.223 -0.011 0.000 2.418 467 L HA 0.107 4.446 4.340 -0.000 0.000 0.218 467 L C 1.838 178.679 176.870 -0.049 0.000 1.125 467 L CA 0.076 54.895 54.840 -0.035 0.000 0.835 467 L CB -0.719 41.296 42.059 -0.073 0.000 0.953 467 L HN 0.455 nan 8.230 nan 0.000 0.454 468 A N 0.000 122.792 122.820 -0.047 0.000 2.254 468 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 468 A CA 0.000 52.009 52.037 -0.046 0.000 0.836 468 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486