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 2ack_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.655 174.600 0.091 0.000 1.055 4 S CA 0.000 58.235 58.200 0.059 0.000 1.107 4 S CB 0.000 63.233 63.200 0.056 0.000 0.593 5 E N 2.796 123.056 120.200 0.099 0.000 2.338 5 E HA 0.009 4.358 4.350 -0.001 0.000 0.197 5 E C 0.901 177.646 176.600 0.243 0.000 1.007 5 E CA 0.979 57.468 56.400 0.148 0.000 0.849 5 E CB -0.027 29.746 29.700 0.121 0.000 0.774 5 E HN 0.729 nan 8.360 nan 0.000 0.506 6 L N 0.646 121.985 121.223 0.192 0.000 2.640 6 L HA 0.207 4.546 4.340 -0.001 0.000 0.230 6 L C 0.149 177.232 176.870 0.355 0.000 1.123 6 L CA -0.399 54.561 54.840 0.199 0.000 0.900 6 L CB 0.491 42.544 42.059 -0.010 0.000 1.146 6 L HN 0.096 nan 8.230 nan 0.000 0.484 7 L N 0.892 122.280 121.223 0.274 0.000 2.287 7 L HA 0.541 4.881 4.340 -0.001 0.000 0.287 7 L C -0.621 176.350 176.870 0.168 0.000 1.022 7 L CA -0.239 54.744 54.840 0.239 0.000 0.814 7 L CB 1.582 43.721 42.059 0.134 0.000 1.217 7 L HN -0.315 nan 8.230 nan 0.000 0.420 8 V N 5.094 125.081 119.914 0.121 0.000 2.656 8 V HA 0.500 4.619 4.120 -0.001 0.000 0.307 8 V C -0.388 175.603 176.094 -0.173 0.000 1.051 8 V CA -0.884 61.307 62.300 -0.182 0.000 0.893 8 V CB 2.065 33.462 31.823 -0.709 0.000 0.999 8 V HN 0.730 nan 8.190 nan 0.000 0.426 9 N N 2.523 121.049 118.700 -0.290 0.000 2.426 9 N HA 0.554 5.294 4.740 -0.001 0.000 0.275 9 N C -0.307 174.813 175.510 -0.651 0.000 1.019 9 N CA 0.014 52.854 53.050 -0.350 0.000 0.941 9 N CB 2.032 40.320 38.487 -0.332 0.000 1.123 9 N HN 0.935 nan 8.380 nan 0.000 0.486 10 T N -0.922 113.333 114.554 -0.499 0.000 2.888 10 T HA 0.384 4.734 4.350 -0.001 0.000 0.288 10 T C 0.894 175.290 174.700 -0.507 0.000 1.063 10 T CA -0.707 61.044 62.100 -0.581 0.000 1.010 10 T CB 1.465 70.270 68.868 -0.104 0.000 1.214 10 T HN 0.309 nan 8.240 nan 0.000 0.533 11 K N 0.364 120.536 120.400 -0.381 0.000 2.574 11 K HA 0.072 4.392 4.320 -0.001 0.000 0.193 11 K C 1.451 177.885 176.600 -0.277 0.000 1.035 11 K CA 0.508 56.634 56.287 -0.269 0.000 0.982 11 K CB -0.060 32.356 32.500 -0.141 0.000 0.795 11 K HN 0.407 nan 8.250 nan 0.000 0.491 12 S N -0.329 115.161 115.700 -0.351 0.000 2.505 12 S HA 0.201 4.670 4.470 -0.001 0.000 0.216 12 S C 0.506 174.295 174.600 -1.352 0.000 1.018 12 S CA 0.220 58.072 58.200 -0.581 0.000 0.911 12 S CB 1.134 64.205 63.200 -0.216 0.000 0.818 12 S HN 0.554 nan 8.310 nan 0.000 0.497 13 G N 1.069 109.258 108.800 -1.019 0.000 2.368 13 G HA2 0.166 4.126 3.960 -0.001 0.000 0.302 13 G HA3 0.166 4.126 3.960 -0.001 0.000 0.302 13 G C -1.954 172.829 174.900 -0.195 0.000 1.329 13 G CA -1.102 43.413 45.100 -0.974 0.000 0.935 13 G HN 0.073 nan 8.290 nan 0.000 0.590 14 K N -0.594 119.898 120.400 0.153 0.000 2.144 14 K HA 0.645 4.965 4.320 -0.001 0.000 0.270 14 K C -0.546 176.418 176.600 0.606 0.000 1.005 14 K CA -0.580 55.871 56.287 0.274 0.000 0.932 14 K CB 2.100 34.708 32.500 0.180 0.000 1.021 14 K HN 0.309 nan 8.250 nan 0.000 0.462 15 V N 3.222 123.429 119.914 0.489 0.000 2.656 15 V HA 0.358 4.477 4.120 -0.001 0.000 0.307 15 V C -0.812 175.599 176.094 0.528 0.000 1.051 15 V CA -0.908 61.752 62.300 0.600 0.000 0.893 15 V CB 1.794 34.023 31.823 0.676 0.000 0.999 15 V HN 0.765 nan 8.190 nan 0.000 0.426 16 M N 3.944 123.817 119.600 0.455 0.000 2.125 16 M HA 0.739 5.219 4.480 -0.001 0.000 0.321 16 M C 0.305 176.715 176.300 0.184 0.000 0.983 16 M CA 0.030 55.517 55.300 0.312 0.000 0.934 16 M CB 1.216 33.909 32.600 0.156 0.000 1.542 16 M HN 0.756 nan 8.290 nan 0.000 0.424 17 G N 1.681 110.434 108.800 -0.079 0.000 2.494 17 G HA2 0.577 4.536 3.960 -0.001 0.000 0.270 17 G HA3 0.577 4.536 3.960 -0.001 0.000 0.270 17 G C -0.983 173.677 174.900 -0.400 0.000 1.423 17 G CA -0.328 44.317 45.100 -0.759 0.000 1.055 17 G HN 0.637 nan 8.290 nan 0.000 0.536 18 T N -1.587 112.703 114.554 -0.439 0.000 2.923 18 T HA 0.500 4.850 4.350 -0.001 0.000 0.311 18 T C -0.819 173.771 174.700 -0.183 0.000 1.183 18 T CA -0.685 61.276 62.100 -0.233 0.000 1.020 18 T CB 1.521 70.279 68.868 -0.183 0.000 1.165 18 T HN 0.586 nan 8.240 nan 0.000 0.482 19 R N 2.644 123.094 120.500 -0.084 0.000 2.265 19 R HA 0.639 4.979 4.340 -0.001 0.000 0.314 19 R C -0.471 175.880 176.300 0.084 0.000 1.053 19 R CA -0.509 55.592 56.100 0.001 0.000 0.931 19 R CB 0.427 30.718 30.300 -0.014 0.000 1.024 19 R HN 0.496 nan 8.270 nan 0.000 0.457 20 V N 2.935 122.915 119.914 0.111 0.000 2.555 20 V HA 0.680 4.800 4.120 -0.001 0.000 0.302 20 V C -2.508 173.574 176.094 -0.021 0.000 1.038 20 V CA -2.786 59.553 62.300 0.066 0.000 0.887 20 V CB 1.575 33.419 31.823 0.034 0.000 0.991 20 V HN 0.765 nan 8.190 nan 0.000 0.434 21 P HA 0.344 nan 4.420 nan 0.000 0.271 21 P C -0.832 176.225 177.300 -0.406 0.000 1.216 21 P CA -0.034 62.654 63.100 -0.686 0.000 0.776 21 P CB 1.499 32.840 31.700 -0.598 0.000 0.881 22 V N 4.440 124.080 119.914 -0.456 0.000 2.567 22 V HA 0.182 4.301 4.120 -0.001 0.000 0.298 22 V C 1.065 176.873 176.094 -0.477 0.000 1.047 22 V CA -0.713 61.309 62.300 -0.463 0.000 0.880 22 V CB 0.952 32.434 31.823 -0.568 0.000 1.009 22 V HN 0.619 nan 8.190 nan 0.000 0.429 23 L N 2.767 123.842 121.223 -0.247 0.000 6.032 23 L HA -0.310 4.029 4.340 -0.001 0.000 0.053 23 L C 1.588 178.343 176.870 -0.191 0.000 2.286 23 L CA 1.733 56.472 54.840 -0.168 0.000 1.682 23 L CB -1.114 40.850 42.059 -0.159 0.000 2.737 23 L HN 0.918 nan 8.230 nan 0.000 0.986 24 S N -1.572 114.037 115.700 -0.152 0.000 2.618 24 S HA 0.415 4.884 4.470 -0.001 0.000 0.242 24 S C -0.010 174.547 174.600 -0.071 0.000 0.972 24 S CA 0.305 58.453 58.200 -0.087 0.000 1.004 24 S CB 0.851 64.042 63.200 -0.015 0.000 0.778 24 S HN 0.556 nan 8.310 nan 0.000 0.459 25 S N -0.054 115.539 115.700 -0.179 0.000 3.144 25 S HA 0.747 5.217 4.470 -0.001 0.000 0.325 25 S C -1.688 172.834 174.600 -0.130 0.000 1.161 25 S CA -0.590 57.584 58.200 -0.043 0.000 0.920 25 S CB 0.941 64.178 63.200 0.062 0.000 1.340 25 S HN 0.564 nan 8.310 nan 0.000 0.681 26 H N -0.647 118.399 119.070 -0.040 0.000 2.990 26 H HA 0.777 5.332 4.556 -0.001 0.000 0.343 26 H C -0.699 174.673 175.328 0.074 0.000 1.270 26 H CA -0.124 55.912 56.048 -0.020 0.000 1.118 26 H CB 1.440 31.203 29.762 0.002 0.000 1.861 26 H HN 0.745 nan 8.280 nan 0.000 0.544 27 I N -2.593 118.114 120.570 0.227 0.000 3.263 27 I HA 0.681 4.850 4.170 -0.001 0.000 0.314 27 I C -1.182 175.043 176.117 0.180 0.000 1.269 27 I CA -0.986 60.452 61.300 0.230 0.000 0.942 27 I CB 2.413 40.578 38.000 0.275 0.000 1.305 27 I HN 0.400 nan 8.210 nan 0.000 0.474 28 S N 1.237 117.050 115.700 0.188 0.000 2.578 28 S HA 0.877 5.347 4.470 -0.001 0.000 0.283 28 S C -0.337 174.283 174.600 0.033 0.000 1.195 28 S CA -0.484 57.765 58.200 0.081 0.000 1.050 28 S CB 1.580 64.885 63.200 0.176 0.000 1.012 28 S HN 0.910 nan 8.310 nan 0.000 0.511 29 A N 1.816 124.483 122.820 -0.256 0.000 2.398 29 A HA 0.762 5.082 4.320 -0.001 0.000 0.301 29 A C -1.481 175.758 177.584 -0.575 0.000 1.041 29 A CA -0.633 51.168 52.037 -0.392 0.000 0.711 29 A CB 0.573 19.314 19.000 -0.432 0.000 1.240 29 A HN 0.646 nan 8.150 nan 0.000 0.420 30 F N 2.758 122.563 119.950 -0.242 0.000 2.359 30 F HA 0.473 4.999 4.527 -0.001 0.000 0.369 30 F C -0.153 175.522 175.800 -0.209 0.000 1.084 30 F CA -0.317 57.629 58.000 -0.089 0.000 1.096 30 F CB 1.288 40.332 39.000 0.073 0.000 1.335 30 F HN 0.364 nan 8.300 nan 0.000 0.457 31 L N 2.358 123.522 121.223 -0.099 0.000 2.309 31 L HA 0.688 5.027 4.340 -0.001 0.000 0.282 31 L C 0.894 177.795 176.870 0.051 0.000 1.036 31 L CA -0.956 53.815 54.840 -0.115 0.000 0.806 31 L CB 1.533 43.427 42.059 -0.275 0.000 1.220 31 L HN 0.817 nan 8.230 nan 0.000 0.429 32 G N 3.337 112.197 108.800 0.101 0.000 2.256 32 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.272 32 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.272 32 G C -0.262 174.774 174.900 0.226 0.000 1.076 32 G CA -0.396 44.782 45.100 0.129 0.000 0.882 32 G HN 0.483 nan 8.290 nan 0.000 0.497 33 I N 2.071 122.689 120.570 0.080 0.000 2.416 33 I HA 0.268 4.437 4.170 -0.001 0.000 0.288 33 I C -1.378 174.554 176.117 -0.308 0.000 1.051 33 I CA -2.279 58.880 61.300 -0.234 0.000 1.375 33 I CB 1.142 38.963 38.000 -0.298 0.000 1.407 33 I HN -0.005 nan 8.210 nan 0.000 0.516 34 P HA 0.029 nan 4.420 nan 0.000 0.271 34 P C -0.316 176.583 177.300 -0.668 0.000 1.216 34 P CA 0.064 62.655 63.100 -0.848 0.000 0.771 34 P CB 0.457 31.617 31.700 -0.901 0.000 0.864 35 F N 0.587 120.192 119.950 -0.574 0.000 2.729 35 F HA 0.771 5.298 4.527 -0.001 0.000 0.315 35 F C -0.054 175.631 175.800 -0.191 0.000 1.102 35 F CA -1.067 56.650 58.000 -0.471 0.000 1.204 35 F CB -0.006 38.719 39.000 -0.458 0.000 1.052 35 F HN 0.402 nan 8.300 nan 0.000 0.551 36 A N -0.300 122.248 122.820 -0.453 0.000 2.599 36 A HA 0.608 4.928 4.320 -0.001 0.000 0.290 36 A C -1.091 176.334 177.584 -0.264 0.000 1.101 36 A CA -0.831 51.063 52.037 -0.238 0.000 0.674 36 A CB 0.896 19.753 19.000 -0.238 0.000 1.277 36 A HN 0.034 nan 8.150 nan 0.000 0.419 37 E N 0.954 121.076 120.200 -0.130 0.000 2.354 37 E HA 0.337 4.686 4.350 -0.001 0.000 0.269 37 E C -2.393 174.118 176.600 -0.147 0.000 1.036 37 E CA -1.553 54.784 56.400 -0.105 0.000 0.876 37 E CB 0.175 29.855 29.700 -0.033 0.000 1.009 37 E HN 0.239 nan 8.360 nan 0.000 0.416 38 P HA -0.004 nan 4.420 nan 0.000 0.260 38 P C -2.205 175.044 177.300 -0.084 0.000 1.185 38 P CA -0.684 62.345 63.100 -0.118 0.000 0.763 38 P CB -0.061 31.609 31.700 -0.049 0.000 0.776 39 P HA 0.002 nan 4.420 nan 0.000 0.226 39 P C 0.000 177.258 177.300 -0.071 0.000 1.758 39 P CA 0.066 63.125 63.100 -0.067 0.000 0.896 39 P CB -0.198 31.466 31.700 -0.060 0.000 1.784 40 V N -3.232 116.646 119.914 -0.060 0.000 3.336 40 V HA 0.873 4.992 4.120 -0.001 0.000 0.314 40 V C 1.091 177.158 176.094 -0.046 0.000 1.088 40 V CA 0.219 62.484 62.300 -0.058 0.000 1.033 40 V CB 0.400 32.198 31.823 -0.042 0.000 1.181 40 V HN 0.507 nan 8.190 nan 0.000 0.449 41 G N 1.467 110.244 108.800 -0.040 0.000 2.634 41 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.309 41 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.309 41 G C 0.675 175.560 174.900 -0.025 0.000 1.265 41 G CA 0.823 45.911 45.100 -0.021 0.000 0.998 41 G HN 1.429 nan 8.290 nan 0.000 0.551 42 N N 0.951 119.652 118.700 0.002 0.000 2.571 42 N HA 0.105 4.844 4.740 -0.001 0.000 0.189 42 N C 2.159 177.672 175.510 0.005 0.000 1.154 42 N CA 1.428 54.489 53.050 0.018 0.000 0.907 42 N CB -0.123 38.385 38.487 0.035 0.000 0.977 42 N HN 0.464 nan 8.380 nan 0.000 0.449 43 M N -0.444 119.144 119.600 -0.019 0.000 2.541 43 M HA 0.113 4.593 4.480 -0.001 0.000 0.252 43 M C 1.121 177.389 176.300 -0.052 0.000 1.125 43 M CA 0.118 55.407 55.300 -0.018 0.000 1.091 43 M CB -0.202 32.386 32.600 -0.021 0.000 1.420 43 M HN 0.170 nan 8.290 nan 0.000 0.486 44 R N 0.923 121.341 120.500 -0.137 0.000 2.504 44 R HA -0.109 4.231 4.340 -0.001 0.000 0.291 44 R C -0.406 175.684 176.300 -0.350 0.000 0.974 44 R CA 0.749 56.643 56.100 -0.342 0.000 1.077 44 R CB 0.127 30.096 30.300 -0.552 0.000 0.926 44 R HN 0.227 nan 8.270 nan 0.000 0.407 45 F N -0.402 119.562 119.950 0.023 0.000 2.502 45 F HA -0.275 4.252 4.527 -0.001 0.000 0.480 45 F C 0.573 176.364 175.800 -0.015 0.000 0.543 45 F CA 0.813 58.800 58.000 -0.021 0.000 1.350 45 F CB -1.435 37.540 39.000 -0.042 0.000 1.999 45 F HN 0.633 nan 8.300 nan 0.000 0.267 46 R N 1.447 122.025 120.500 0.130 0.000 2.615 46 R HA 0.468 4.808 4.340 -0.001 0.000 0.270 46 R C 0.675 177.011 176.300 0.061 0.000 1.081 46 R CA -0.776 55.375 56.100 0.086 0.000 1.154 46 R CB 0.562 30.896 30.300 0.056 0.000 1.063 46 R HN 0.115 nan 8.270 nan 0.000 0.519 47 R N 2.218 122.752 120.500 0.058 0.000 2.698 47 R HA 0.041 4.381 4.340 -0.001 0.000 0.266 47 R C -1.891 174.440 176.300 0.052 0.000 1.026 47 R CA -0.999 55.134 56.100 0.056 0.000 1.102 47 R CB -0.231 30.107 30.300 0.063 0.000 0.978 47 R HN 0.417 nan 8.270 nan 0.000 0.436 48 P HA 0.035 nan 4.420 nan 0.000 0.272 48 P C -0.963 176.372 177.300 0.059 0.000 1.230 48 P CA 0.048 63.182 63.100 0.056 0.000 0.788 48 P CB 0.721 32.479 31.700 0.098 0.000 0.949 49 E N 1.965 122.188 120.200 0.039 0.000 2.183 49 E HA 0.349 4.698 4.350 -0.001 0.000 0.271 49 E C -2.213 174.421 176.600 0.056 0.000 0.919 49 E CA -2.548 53.878 56.400 0.044 0.000 0.781 49 E CB 1.175 30.892 29.700 0.029 0.000 1.140 49 E HN 0.368 nan 8.360 nan 0.000 0.402 50 P HA -0.076 nan 4.420 nan 0.000 0.265 50 P C -0.661 176.694 177.300 0.092 0.000 1.187 50 P CA -0.116 63.054 63.100 0.117 0.000 0.766 50 P CB 0.466 32.238 31.700 0.120 0.000 0.820 51 K N 3.576 124.042 120.400 0.111 0.000 2.383 51 K HA 0.062 4.382 4.320 -0.001 0.000 0.286 51 K C -0.146 176.538 176.600 0.142 0.000 1.051 51 K CA 0.132 56.473 56.287 0.089 0.000 0.974 51 K CB -0.203 32.337 32.500 0.067 0.000 0.968 51 K HN 0.194 nan 8.250 nan 0.000 0.475 52 K N 6.378 126.851 120.400 0.121 0.000 2.472 52 K HA 0.035 4.354 4.320 -0.001 0.000 0.280 52 K C -2.141 174.562 176.600 0.172 0.000 1.028 52 K CA -1.208 55.152 56.287 0.121 0.000 1.045 52 K CB 0.017 32.583 32.500 0.109 0.000 0.902 52 K HN 0.530 nan 8.250 nan 0.000 0.478 53 P HA -0.117 nan 4.420 nan 0.000 0.266 53 P C -1.132 176.209 177.300 0.068 0.000 1.186 53 P CA 0.136 63.190 63.100 -0.078 0.000 0.767 53 P CB 0.245 31.860 31.700 -0.142 0.000 0.820 54 W N 0.855 122.217 121.300 0.102 0.000 2.762 54 W HA 0.766 5.425 4.660 -0.001 0.000 0.355 54 W C -0.700 175.891 176.519 0.119 0.000 1.124 54 W CA -1.083 56.344 57.345 0.136 0.000 1.141 54 W CB 0.384 29.985 29.460 0.234 0.000 1.432 54 W HN 0.254 nan 8.180 nan 0.000 0.586 55 S N 0.902 116.836 115.700 0.389 0.000 2.537 55 S HA 0.778 5.247 4.470 -0.001 0.000 0.301 55 S C 0.095 174.900 174.600 0.342 0.000 1.092 55 S CA 0.407 58.754 58.200 0.245 0.000 1.048 55 S CB 0.423 63.708 63.200 0.142 0.000 1.053 55 S HN 1.967 nan 8.310 nan 0.000 0.501 56 G N 1.557 110.511 108.800 0.256 0.000 2.728 56 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.294 56 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.294 56 G C -1.002 174.106 174.900 0.346 0.000 1.342 56 G CA -0.438 44.800 45.100 0.230 0.000 0.866 56 G HN 1.322 nan 8.290 nan 0.000 0.534 57 V N 1.194 121.257 119.914 0.249 0.000 2.465 57 V HA 0.459 4.578 4.120 -0.001 0.000 0.279 57 V C 0.618 176.857 176.094 0.242 0.000 1.045 57 V CA -0.367 62.107 62.300 0.290 0.000 0.938 57 V CB 1.636 33.567 31.823 0.179 0.000 0.986 57 V HN 0.700 nan 8.190 nan 0.000 0.467 58 W N 5.590 126.981 121.300 0.152 0.000 2.335 58 W HA 0.240 4.900 4.660 -0.001 0.000 0.306 58 W C 0.146 176.651 176.519 -0.023 0.000 1.216 58 W CA -0.618 56.644 57.345 -0.138 0.000 1.237 58 W CB 0.867 30.024 29.460 -0.505 0.000 1.243 58 W HN 0.607 nan 8.180 nan 0.000 0.493 59 N N 4.640 123.060 118.700 -0.467 0.000 2.405 59 N HA 0.177 4.917 4.740 -0.001 0.000 0.260 59 N C -0.294 175.161 175.510 -0.092 0.000 1.152 59 N CA 0.300 53.207 53.050 -0.238 0.000 0.948 59 N CB 1.055 39.357 38.487 -0.309 0.000 1.111 59 N HN 0.406 nan 8.380 nan 0.000 0.485 60 A N 2.618 125.525 122.820 0.144 0.000 2.911 60 A HA 0.176 4.495 4.320 -0.001 0.000 0.304 60 A C 1.047 178.626 177.584 -0.008 0.000 1.144 60 A CA -0.403 51.757 52.037 0.205 0.000 0.988 60 A CB -0.400 18.838 19.000 0.396 0.000 1.141 60 A HN 0.614 nan 8.150 nan 0.000 0.552 61 S N -0.788 114.868 115.700 -0.073 0.000 2.517 61 S HA 0.146 4.615 4.470 -0.001 0.000 0.214 61 S C 0.792 175.298 174.600 -0.156 0.000 0.991 61 S CA 0.602 58.720 58.200 -0.136 0.000 0.906 61 S CB -0.292 62.837 63.200 -0.119 0.000 0.789 61 S HN 0.874 nan 8.310 nan 0.000 0.513 62 T N -0.914 113.562 114.554 -0.128 0.000 2.912 62 T HA 0.605 4.954 4.350 -0.001 0.000 0.299 62 T C -0.787 173.876 174.700 -0.063 0.000 1.052 62 T CA -0.789 61.235 62.100 -0.127 0.000 0.996 62 T CB 0.730 69.546 68.868 -0.086 0.000 1.070 62 T HN 0.052 nan 8.240 nan 0.000 0.465 63 Y N 3.360 123.634 120.300 -0.043 0.000 2.890 63 Y HA 0.241 4.791 4.550 -0.001 0.000 0.341 63 Y C -1.368 174.479 175.900 -0.089 0.000 1.269 63 Y CA -0.964 57.116 58.100 -0.033 0.000 1.517 63 Y CB 0.030 38.493 38.460 0.006 0.000 1.314 63 Y HN 0.566 nan 8.280 nan 0.000 0.622 64 P HA 0.111 nan 4.420 nan 0.000 0.282 64 P C -0.706 176.543 177.300 -0.086 0.000 1.287 64 P CA -0.556 62.451 63.100 -0.155 0.000 0.792 64 P CB 0.873 32.406 31.700 -0.277 0.000 1.163 65 N N 0.082 118.704 118.700 -0.130 0.000 2.415 65 N HA 0.119 4.858 4.740 -0.001 0.000 0.248 65 N C 0.076 175.580 175.510 -0.009 0.000 1.271 65 N CA 0.197 53.212 53.050 -0.057 0.000 0.913 65 N CB -0.256 38.205 38.487 -0.043 0.000 1.129 65 N HN 0.413 nan 8.380 nan 0.000 0.444 66 N N -0.728 117.955 118.700 -0.029 0.000 2.472 66 N HA 0.333 5.072 4.740 -0.001 0.000 0.289 66 N C -0.502 174.987 175.510 -0.036 0.000 1.156 66 N CA -0.720 52.311 53.050 -0.032 0.000 0.940 66 N CB 1.111 39.552 38.487 -0.078 0.000 1.200 66 N HN 0.382 nan 8.380 nan 0.000 0.511 67 c N 1.250 119.831 118.600 -0.031 0.000 2.657 67 c HA 0.053 4.622 4.570 -0.001 0.000 0.404 67 c C 0.655 174.680 174.090 -0.108 0.000 1.291 67 c CA -0.663 55.625 56.329 -0.068 0.000 2.218 67 c CB -0.035 42.464 42.510 -0.019 0.000 2.687 67 c HN 0.539 nan 8.230 nan 0.000 0.634 68 Q N 2.803 122.463 119.800 -0.233 0.000 2.262 68 Q HA 0.129 4.468 4.340 -0.001 0.000 0.298 68 Q C -0.007 175.974 176.000 -0.032 0.000 1.083 68 Q CA 1.141 56.794 55.803 -0.249 0.000 0.962 68 Q CB 0.121 28.448 28.738 -0.686 0.000 1.104 68 Q HN 0.885 nan 8.270 nan 0.000 0.376 69 Q N 1.472 121.329 119.800 0.094 0.000 2.522 69 Q HA 0.280 4.619 4.340 -0.001 0.000 0.285 69 Q C -1.245 174.938 176.000 0.304 0.000 0.982 69 Q CA -1.045 54.904 55.803 0.244 0.000 0.805 69 Q CB 0.692 29.540 28.738 0.182 0.000 1.457 69 Q HN 0.465 nan 8.270 nan 0.000 0.394 70 Y N 1.323 121.828 120.300 0.342 0.000 2.721 70 Y HA 0.272 4.821 4.550 -0.001 0.000 0.329 70 Y C -0.992 175.104 175.900 0.327 0.000 1.211 70 Y CA 0.291 58.619 58.100 0.381 0.000 1.512 70 Y CB 0.702 39.500 38.460 0.563 0.000 1.249 70 Y HN 0.434 nan 8.280 nan 0.000 0.549 71 V N 7.137 126.800 119.914 -0.419 0.000 2.394 71 V HA 0.089 4.209 4.120 -0.001 0.000 0.282 71 V C -0.331 175.425 176.094 -0.564 0.000 1.031 71 V CA -0.899 61.212 62.300 -0.314 0.000 0.881 71 V CB 1.311 33.046 31.823 -0.146 0.000 0.982 71 V HN 0.743 nan 8.190 nan 0.000 0.451 72 D N 3.964 124.254 120.400 -0.183 0.000 2.346 72 D HA 0.096 4.735 4.640 -0.001 0.000 0.260 72 D C 0.584 176.913 176.300 0.050 0.000 1.252 72 D CA 0.323 54.337 54.000 0.024 0.000 0.895 72 D CB 0.829 41.824 40.800 0.325 0.000 1.097 72 D HN 0.661 nan 8.370 nan 0.000 0.489 73 E N 2.315 122.514 120.200 -0.001 0.000 2.624 73 E HA -0.039 4.310 4.350 -0.001 0.000 0.210 73 E C 0.897 177.479 176.600 -0.030 0.000 0.997 73 E CA -0.110 56.294 56.400 0.007 0.000 0.999 73 E CB 0.586 30.270 29.700 -0.026 0.000 1.040 73 E HN 0.351 nan 8.360 nan 0.000 0.469 74 Q N -0.108 119.651 119.800 -0.069 0.000 2.226 74 Q HA -0.088 4.251 4.340 -0.001 0.000 0.204 74 Q C -0.319 175.225 176.000 -0.760 0.000 0.975 74 Q CA 1.324 56.853 55.803 -0.458 0.000 0.866 74 Q CB 0.168 28.531 28.738 -0.625 0.000 0.915 74 Q HN 0.127 nan 8.270 nan 0.000 0.440 75 F N 0.059 120.065 119.950 0.094 0.000 2.708 75 F HA 0.408 4.934 4.527 -0.001 0.000 0.344 75 F C -2.268 173.602 175.800 0.116 0.000 1.447 75 F CA -2.975 55.067 58.000 0.070 0.000 1.140 75 F CB 1.024 40.084 39.000 0.100 0.000 1.657 75 F HN -0.152 nan 8.300 nan 0.000 0.598 76 P HA 0.064 nan 4.420 nan 0.000 0.259 76 P C 1.090 178.470 177.300 0.134 0.000 1.163 76 P CA 1.606 64.777 63.100 0.118 0.000 0.760 76 P CB 0.554 32.289 31.700 0.059 0.000 0.762 77 G N 2.529 111.391 108.800 0.104 0.000 2.189 77 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.267 77 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.267 77 G C 0.051 175.015 174.900 0.105 0.000 0.975 77 G CA -0.198 44.945 45.100 0.073 0.000 0.644 77 G HN 0.555 nan 8.290 nan 0.000 0.537 78 F N 2.960 122.902 119.950 -0.013 0.000 2.445 78 F HA 0.529 5.056 4.527 -0.001 0.000 0.359 78 F C 1.594 177.323 175.800 -0.119 0.000 1.101 78 F CA -0.317 57.621 58.000 -0.102 0.000 1.177 78 F CB 1.083 40.003 39.000 -0.133 0.000 1.110 78 F HN 0.193 nan 8.300 nan 0.000 0.522 79 S N 3.396 118.668 115.700 -0.713 0.000 2.402 79 S HA -0.079 4.391 4.470 -0.001 0.000 0.229 79 S C 2.239 176.358 174.600 -0.802 0.000 1.021 79 S CA 0.773 58.607 58.200 -0.610 0.000 0.974 79 S CB -1.211 61.716 63.200 -0.455 0.000 0.800 79 S HN 0.843 nan 8.310 nan 0.000 0.484 80 G N 1.790 109.575 108.800 -1.693 0.000 2.507 80 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.221 80 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.221 80 G C 1.657 176.633 174.900 0.127 0.000 1.119 80 G CA 1.477 45.886 45.100 -1.151 0.000 0.751 80 G HN 0.850 nan 8.290 nan 0.000 0.574 81 S N -0.985 114.780 115.700 0.108 0.000 2.539 81 S HA 0.177 4.647 4.470 -0.001 0.000 0.226 81 S C 1.693 176.536 174.600 0.405 0.000 1.054 81 S CA 0.351 58.982 58.200 0.719 0.000 0.910 81 S CB 0.146 63.949 63.200 1.005 0.000 0.818 81 S HN 0.364 nan 8.310 nan 0.000 0.490 82 E N 2.361 122.636 120.200 0.124 0.000 2.208 82 E HA -0.059 4.291 4.350 -0.001 0.000 0.193 82 E C 2.035 178.587 176.600 -0.080 0.000 0.988 82 E CA 1.244 57.668 56.400 0.040 0.000 0.828 82 E CB -0.441 29.250 29.700 -0.014 0.000 0.763 82 E HN 0.852 nan 8.360 nan 0.000 0.478 83 M N -1.804 117.655 119.600 -0.236 0.000 2.446 83 M HA -0.065 4.415 4.480 -0.001 0.000 0.263 83 M C 1.272 177.230 176.300 -0.570 0.000 1.066 83 M CA 1.445 56.465 55.300 -0.467 0.000 1.087 83 M CB -0.451 31.745 32.600 -0.673 0.000 1.406 83 M HN -0.001 nan 8.290 nan 0.000 0.459 84 W N 1.181 122.425 121.300 -0.094 0.000 3.077 84 W HA 0.250 4.910 4.660 -0.001 0.000 0.266 84 W C 0.493 176.943 176.519 -0.114 0.000 1.300 84 W CA -0.883 56.383 57.345 -0.132 0.000 1.586 84 W CB -0.089 29.343 29.460 -0.047 0.000 1.103 84 W HN 0.133 nan 8.180 nan 0.000 0.652 85 N N 1.228 119.982 118.700 0.090 0.000 2.483 85 N HA 0.159 4.898 4.740 -0.001 0.000 0.269 85 N C -2.498 172.984 175.510 -0.048 0.000 1.209 85 N CA -1.571 51.502 53.050 0.038 0.000 0.969 85 N CB -0.008 38.502 38.487 0.038 0.000 1.173 85 N HN -0.381 nan 8.380 nan 0.000 0.475 86 P HA 0.018 nan 4.420 nan 0.000 0.261 86 P C 0.127 177.375 177.300 -0.086 0.000 1.183 86 P CA 0.140 63.190 63.100 -0.083 0.000 0.761 86 P CB 0.173 31.835 31.700 -0.063 0.000 0.785 87 N N 2.820 121.453 118.700 -0.112 0.000 2.238 87 N HA 0.053 4.793 4.740 -0.001 0.000 0.222 87 N C -0.012 175.452 175.510 -0.077 0.000 1.133 87 N CA -0.116 52.875 53.050 -0.099 0.000 0.854 87 N CB 0.339 38.751 38.487 -0.126 0.000 1.041 87 N HN 0.197 nan 8.380 nan 0.000 0.510 88 R N -0.266 120.190 120.500 -0.072 0.000 2.799 88 R HA 0.285 4.624 4.340 -0.001 0.000 0.270 88 R C -0.507 175.764 176.300 -0.049 0.000 1.010 88 R CA -0.705 55.364 56.100 -0.052 0.000 0.916 88 R CB 0.961 31.232 30.300 -0.049 0.000 1.228 88 R HN 0.231 nan 8.270 nan 0.000 0.469 89 E N 1.606 121.781 120.200 -0.042 0.000 2.534 89 E HA -0.051 4.299 4.350 -0.001 0.000 0.264 89 E C -0.542 176.030 176.600 -0.047 0.000 0.981 89 E CA 0.410 56.785 56.400 -0.041 0.000 0.948 89 E CB 0.599 30.276 29.700 -0.040 0.000 0.934 89 E HN 0.267 nan 8.360 nan 0.000 0.459 90 M N 2.511 122.083 119.600 -0.047 0.000 2.314 90 M HA 0.231 4.711 4.480 -0.001 0.000 0.342 90 M C -0.244 176.014 176.300 -0.069 0.000 1.171 90 M CA -0.000 55.265 55.300 -0.058 0.000 1.098 90 M CB 1.694 34.261 32.600 -0.055 0.000 1.559 90 M HN 0.398 nan 8.290 nan 0.000 0.459 91 S N 0.476 116.124 115.700 -0.087 0.000 2.552 91 S HA 0.215 4.684 4.470 -0.001 0.000 0.272 91 S C 0.067 174.586 174.600 -0.135 0.000 1.150 91 S CA -0.651 57.493 58.200 -0.094 0.000 0.849 91 S CB 1.526 64.698 63.200 -0.047 0.000 1.113 91 S HN 0.844 nan 8.310 nan 0.000 0.458 92 E N 0.832 120.933 120.200 -0.165 0.000 2.204 92 E HA -0.096 4.253 4.350 -0.001 0.000 0.194 92 E C -0.192 176.348 176.600 -0.100 0.000 0.989 92 E CA 0.614 56.894 56.400 -0.200 0.000 0.824 92 E CB 0.111 29.690 29.700 -0.201 0.000 0.756 92 E HN 0.521 nan 8.360 nan 0.000 0.477 93 D N 0.280 120.657 120.400 -0.038 0.000 2.551 93 D HA -0.025 4.615 4.640 -0.001 0.000 0.223 93 D C -0.030 176.365 176.300 0.158 0.000 1.144 93 D CA -0.215 53.807 54.000 0.038 0.000 1.025 93 D CB -0.270 40.579 40.800 0.082 0.000 1.085 93 D HN 0.129 nan 8.370 nan 0.000 0.506 94 c N 2.049 120.699 118.600 0.082 0.000 3.512 94 c HA 0.415 4.985 4.570 -0.001 0.000 0.276 94 c C 0.607 174.756 174.090 0.099 0.000 1.592 94 c CA -0.790 55.654 56.329 0.192 0.000 1.803 94 c CB -1.422 41.131 42.510 0.072 0.000 2.996 94 c HN 0.379 nan 8.230 nan 0.000 0.590 95 L N 2.541 123.566 121.223 -0.330 0.000 2.375 95 L HA 0.442 4.781 4.340 -0.001 0.000 0.276 95 L C -0.853 175.226 176.870 -1.318 0.000 1.162 95 L CA 0.452 54.839 54.840 -0.755 0.000 0.991 95 L CB -0.523 40.989 42.059 -0.911 0.000 1.315 95 L HN 0.367 nan 8.230 nan 0.000 0.431 96 Y N 2.436 122.570 120.300 -0.277 0.000 2.609 96 Y HA 0.680 5.229 4.550 -0.001 0.000 0.342 96 Y C -0.208 175.841 175.900 0.247 0.000 1.058 96 Y CA -1.264 56.775 58.100 -0.102 0.000 1.055 96 Y CB 1.970 40.401 38.460 -0.048 0.000 1.292 96 Y HN 0.236 nan 8.280 nan 0.000 0.476 97 L N -0.170 121.241 121.223 0.313 0.000 2.350 97 L HA 0.790 5.130 4.340 -0.001 0.000 0.260 97 L C -1.418 175.523 176.870 0.117 0.000 1.015 97 L CA -1.081 53.891 54.840 0.219 0.000 0.821 97 L CB 2.081 44.194 42.059 0.091 0.000 1.370 97 L HN 0.508 nan 8.230 nan 0.000 0.416 98 N N 1.652 120.414 118.700 0.103 0.000 2.249 98 N HA 0.705 5.445 4.740 -0.001 0.000 0.296 98 N C -1.418 173.992 175.510 -0.167 0.000 1.051 98 N CA -0.208 52.789 53.050 -0.087 0.000 0.815 98 N CB 2.805 41.218 38.487 -0.123 0.000 1.487 98 N HN 0.642 nan 8.380 nan 0.000 0.475 99 I N 0.645 121.022 120.570 -0.322 0.000 2.498 99 I HA 0.398 4.568 4.170 -0.001 0.000 0.290 99 I C -0.690 175.313 176.117 -0.189 0.000 1.032 99 I CA -0.692 60.522 61.300 -0.144 0.000 1.073 99 I CB 2.146 40.020 38.000 -0.211 0.000 1.251 99 I HN 0.249 nan 8.210 nan 0.000 0.426 100 W N 5.870 127.289 121.300 0.198 0.000 2.429 100 W HA 0.607 5.267 4.660 -0.001 0.000 0.314 100 W C -1.001 175.644 176.519 0.210 0.000 1.062 100 W CA -0.696 56.764 57.345 0.191 0.000 1.211 100 W CB 2.070 31.621 29.460 0.151 0.000 1.305 100 W HN 0.085 nan 8.180 nan 0.000 0.476 101 V N 5.051 125.211 119.914 0.410 0.000 2.531 101 V HA 0.272 4.392 4.120 -0.001 0.000 0.301 101 V C -1.971 174.305 176.094 0.304 0.000 1.034 101 V CA -2.335 60.177 62.300 0.353 0.000 0.865 101 V CB 2.108 34.181 31.823 0.416 0.000 0.995 101 V HN 0.258 nan 8.190 nan 0.000 0.424 102 P HA 0.062 nan 4.420 nan 0.000 0.267 102 P C -0.539 176.879 177.300 0.197 0.000 1.201 102 P CA 0.252 63.473 63.100 0.203 0.000 0.775 102 P CB 0.493 32.272 31.700 0.131 0.000 0.854 103 S N 1.724 117.537 115.700 0.188 0.000 2.596 103 S HA 0.509 4.979 4.470 -0.001 0.000 0.318 103 S C -2.453 172.224 174.600 0.129 0.000 1.097 103 S CA -1.580 56.718 58.200 0.164 0.000 1.080 103 S CB 0.043 63.346 63.200 0.173 0.000 0.991 103 S HN 0.255 nan 8.310 nan 0.000 0.471 104 P HA 0.182 nan 4.420 nan 0.000 0.271 104 P C -0.464 176.902 177.300 0.110 0.000 1.218 104 P CA -0.590 62.568 63.100 0.097 0.000 0.780 104 P CB 0.411 32.154 31.700 0.072 0.000 0.901 105 R N 3.363 123.939 120.500 0.127 0.000 2.504 105 R HA 0.053 4.393 4.340 -0.001 0.000 0.291 105 R C -1.963 174.400 176.300 0.105 0.000 0.974 105 R CA -0.764 55.422 56.100 0.143 0.000 1.077 105 R CB -0.474 29.918 30.300 0.153 0.000 0.926 105 R HN 0.350 nan 8.270 nan 0.000 0.407 106 P HA 0.054 nan 4.420 nan 0.000 0.274 106 P C -0.207 177.126 177.300 0.057 0.000 1.260 106 P CA -0.344 62.800 63.100 0.073 0.000 0.793 106 P CB 0.635 32.381 31.700 0.076 0.000 1.048 107 K N -0.949 119.471 120.400 0.034 0.000 2.262 107 K HA 0.202 4.521 4.320 -0.001 0.000 0.200 107 K C 0.446 177.045 176.600 -0.001 0.000 1.058 107 K CA 0.900 57.196 56.287 0.015 0.000 0.974 107 K CB -0.136 32.368 32.500 0.007 0.000 0.910 107 K HN 0.244 nan 8.250 nan 0.000 0.484 108 S N 0.904 116.606 115.700 0.002 0.000 2.592 108 S HA 0.183 4.653 4.470 -0.001 0.000 0.151 108 S C -0.965 173.634 174.600 -0.001 0.000 1.280 108 S CA -0.300 57.892 58.200 -0.012 0.000 1.187 108 S CB 0.535 63.717 63.200 -0.030 0.000 1.471 108 S HN 0.125 nan 8.310 nan 0.000 0.409 109 T N 1.527 116.092 114.554 0.018 0.000 2.937 109 T HA 0.539 4.889 4.350 -0.001 0.000 0.283 109 T C 0.101 174.815 174.700 0.022 0.000 1.012 109 T CA -0.137 61.975 62.100 0.021 0.000 0.997 109 T CB 1.041 69.931 68.868 0.037 0.000 1.136 109 T HN 0.372 nan 8.240 nan 0.000 0.551 110 T N 2.222 116.785 114.554 0.014 0.000 2.905 110 T HA 0.267 4.617 4.350 -0.001 0.000 0.299 110 T C -0.201 174.524 174.700 0.042 0.000 1.024 110 T CA -0.177 61.931 62.100 0.012 0.000 1.151 110 T CB 0.099 68.961 68.868 -0.010 0.000 0.987 110 T HN 0.386 nan 8.240 nan 0.000 0.535 111 V N 5.084 125.030 119.914 0.052 0.000 2.483 111 V HA 0.479 4.598 4.120 -0.001 0.000 0.295 111 V C 0.060 176.214 176.094 0.100 0.000 1.035 111 V CA -0.735 61.620 62.300 0.092 0.000 0.896 111 V CB 1.602 33.485 31.823 0.101 0.000 0.986 111 V HN 0.843 nan 8.190 nan 0.000 0.447 112 M N 4.529 124.214 119.600 0.141 0.000 2.190 112 M HA 0.533 5.013 4.480 -0.001 0.000 0.312 112 M C -1.297 175.235 176.300 0.388 0.000 0.990 112 M CA -0.530 54.865 55.300 0.159 0.000 0.927 112 M CB 2.093 34.670 32.600 -0.038 0.000 1.571 112 M HN 0.410 nan 8.290 nan 0.000 0.427 113 V N 3.776 123.964 119.914 0.457 0.000 2.334 113 V HA 0.297 4.417 4.120 -0.001 0.000 0.281 113 V C -0.776 175.645 176.094 0.545 0.000 1.016 113 V CA -0.653 61.908 62.300 0.435 0.000 0.832 113 V CB 1.276 33.228 31.823 0.216 0.000 0.999 113 V HN 0.848 nan 8.190 nan 0.000 0.439 114 W N 7.192 128.645 121.300 0.255 0.000 2.322 114 W HA 0.598 5.257 4.660 -0.001 0.000 0.307 114 W C -1.261 175.163 176.519 -0.159 0.000 1.220 114 W CA -0.689 56.536 57.345 -0.201 0.000 1.210 114 W CB 1.094 30.487 29.460 -0.111 0.000 1.223 114 W HN 0.448 nan 8.180 nan 0.000 0.511 115 I N 9.388 129.314 120.570 -1.073 0.000 2.390 115 I HA 0.060 4.229 4.170 -0.001 0.000 0.283 115 I C -0.293 175.015 176.117 -1.349 0.000 1.016 115 I CA -1.149 59.592 61.300 -0.932 0.000 1.151 115 I CB 0.558 38.210 38.000 -0.580 0.000 1.293 115 I HN 0.272 nan 8.210 nan 0.000 0.458 116 Y N 4.548 124.342 120.300 -0.843 0.000 2.497 116 Y HA 0.610 5.160 4.550 -0.001 0.000 0.334 116 Y C 0.732 176.471 175.900 -0.268 0.000 1.199 116 Y CA -1.000 56.752 58.100 -0.580 0.000 1.425 116 Y CB -0.189 38.202 38.460 -0.115 0.000 1.291 116 Y HN 0.542 nan 8.280 nan 0.000 0.562 117 G N 0.100 108.892 108.800 -0.015 0.000 2.531 117 G HA2 0.494 4.453 3.960 -0.001 0.000 0.281 117 G HA3 0.494 4.453 3.960 -0.001 0.000 0.281 117 G C 0.289 175.125 174.900 -0.107 0.000 1.382 117 G CA -0.874 44.161 45.100 -0.107 0.000 1.045 117 G HN 1.745 nan 8.290 nan 0.000 0.533 118 G N -2.865 105.729 108.800 -0.344 0.000 2.263 118 G HA2 0.417 4.377 3.960 -0.001 0.000 0.207 118 G HA3 0.417 4.377 3.960 -0.001 0.000 0.207 118 G C 1.012 175.385 174.900 -0.879 0.000 1.072 118 G CA 0.667 45.437 45.100 -0.550 0.000 0.800 118 G HN 2.292 nan 8.290 nan 0.000 0.491 119 G N -0.518 107.744 108.800 -0.896 0.000 2.200 119 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.267 119 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.267 119 G C 0.964 175.563 174.900 -0.502 0.000 0.993 119 G CA 0.978 45.308 45.100 -1.284 0.000 0.701 119 G HN 1.804 nan 8.290 nan 0.000 0.524 120 F N -3.665 116.147 119.950 -0.230 0.000 2.748 120 F HA -0.317 4.209 4.527 -0.001 0.000 0.370 120 F C 1.511 177.381 175.800 0.117 0.000 0.620 120 F CA 2.112 60.095 58.000 -0.029 0.000 1.233 120 F CB -2.059 36.769 39.000 -0.286 0.000 1.708 120 F HN 0.819 nan 8.300 nan 0.000 0.298 121 Y N -0.925 119.445 120.300 0.115 0.000 2.462 121 Y HA 0.629 5.179 4.550 -0.001 0.000 0.253 121 Y C 0.815 176.829 175.900 0.190 0.000 1.095 121 Y CA 0.322 58.522 58.100 0.167 0.000 1.283 121 Y CB -0.119 38.362 38.460 0.034 0.000 1.138 121 Y HN 0.065 nan 8.280 nan 0.000 0.522 122 S N -0.551 114.911 115.700 -0.397 0.000 2.720 122 S HA 0.926 5.395 4.470 -0.001 0.000 0.287 122 S C -0.187 174.236 174.600 -0.294 0.000 1.168 122 S CA -0.525 57.534 58.200 -0.234 0.000 0.832 122 S CB 1.668 64.720 63.200 -0.247 0.000 1.166 122 S HN 1.198 nan 8.310 nan 0.000 0.493 123 G N -0.389 108.200 108.800 -0.351 0.000 2.326 123 G HA2 0.432 4.392 3.960 -0.001 0.000 0.478 123 G HA3 0.432 4.392 3.960 -0.001 0.000 0.478 123 G C -1.205 172.996 174.900 -1.164 0.000 1.551 123 G CA -0.471 44.183 45.100 -0.742 0.000 0.946 123 G HN 1.096 nan 8.290 nan 0.000 0.671 124 S N -0.818 114.201 115.700 -1.135 0.000 2.533 124 S HA 0.665 5.134 4.470 -0.001 0.000 0.271 124 S C 0.938 175.479 174.600 -0.099 0.000 1.143 124 S CA 0.116 57.961 58.200 -0.592 0.000 0.891 124 S CB 1.798 64.839 63.200 -0.265 0.000 1.105 124 S HN 1.852 nan 8.310 nan 0.000 0.468 125 S N 0.165 115.992 115.700 0.213 0.000 2.528 125 S HA -0.051 4.418 4.470 -0.001 0.000 0.219 125 S C 1.410 176.160 174.600 0.250 0.000 0.985 125 S CA 0.861 59.351 58.200 0.484 0.000 0.914 125 S CB -0.547 62.950 63.200 0.495 0.000 0.776 125 S HN 0.812 nan 8.310 nan 0.000 0.526 126 T N 0.460 114.955 114.554 -0.099 0.000 3.107 126 T HA 0.387 4.737 4.350 -0.001 0.000 0.249 126 T C 0.572 175.001 174.700 -0.451 0.000 1.096 126 T CA -0.476 61.236 62.100 -0.646 0.000 1.012 126 T CB -0.620 67.775 68.868 -0.789 0.000 0.977 126 T HN 0.306 nan 8.240 nan 0.000 0.527 127 L N 2.058 123.120 121.223 -0.268 0.000 2.506 127 L HA 0.114 4.454 4.340 -0.001 0.000 0.281 127 L C 1.344 177.998 176.870 -0.361 0.000 1.228 127 L CA -0.451 54.140 54.840 -0.415 0.000 0.850 127 L CB 0.317 41.912 42.059 -0.773 0.000 1.110 127 L HN 0.063 nan 8.230 nan 0.000 0.496 128 D N 1.143 121.343 120.400 -0.334 0.000 2.149 128 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 128 D C 1.968 178.070 176.300 -0.330 0.000 0.990 128 D CA 1.326 55.182 54.000 -0.240 0.000 0.839 128 D CB -0.067 40.601 40.800 -0.220 0.000 0.948 128 D HN 0.519 nan 8.370 nan 0.000 0.460 129 V N -1.177 118.402 119.914 -0.558 0.000 3.078 129 V HA -0.151 3.968 4.120 -0.001 0.000 0.265 129 V C 1.249 176.935 176.094 -0.679 0.000 1.122 129 V CA 0.978 62.932 62.300 -0.577 0.000 1.141 129 V CB -1.065 30.335 31.823 -0.705 0.000 0.735 129 V HN 0.069 nan 8.190 nan 0.000 0.498 130 Y N 0.334 120.178 120.300 -0.760 0.000 2.532 130 Y HA 0.414 4.963 4.550 -0.001 0.000 0.283 130 Y C 1.090 176.576 175.900 -0.689 0.000 1.181 130 Y CA -1.635 55.747 58.100 -1.197 0.000 1.256 130 Y CB -1.017 37.060 38.460 -0.639 0.000 1.112 130 Y HN 0.274 nan 8.280 nan 0.000 0.521 131 N N 1.306 119.844 118.700 -0.269 0.000 2.406 131 N HA -0.000 4.739 4.740 -0.001 0.000 0.265 131 N C 1.376 176.580 175.510 -0.511 0.000 1.203 131 N CA 0.456 53.337 53.050 -0.282 0.000 0.945 131 N CB 1.057 39.505 38.487 -0.064 0.000 1.165 131 N HN 0.455 nan 8.380 nan 0.000 0.485 132 G N 3.469 111.445 108.800 -1.373 0.000 2.625 132 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.214 132 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.214 132 G C 1.476 175.865 174.900 -0.852 0.000 1.132 132 G CA 0.540 45.060 45.100 -0.966 0.000 0.782 132 G HN 0.733 nan 8.290 nan 0.000 0.538 133 K N -0.155 119.543 120.400 -1.170 0.000 2.063 133 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 133 K C 1.853 178.224 176.600 -0.382 0.000 1.048 133 K CA 1.345 57.271 56.287 -0.602 0.000 0.928 133 K CB -0.606 31.554 32.500 -0.567 0.000 0.713 133 K HN 0.362 nan 8.250 nan 0.000 0.442 134 Y N 0.957 121.187 120.300 -0.117 0.000 2.242 134 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 134 Y C 2.370 178.282 175.900 0.019 0.000 1.137 134 Y CA 0.606 58.692 58.100 -0.024 0.000 1.181 134 Y CB -0.452 37.964 38.460 -0.074 0.000 0.989 134 Y HN 0.035 nan 8.280 nan 0.000 0.527 135 L N 0.187 121.455 121.223 0.076 0.000 2.044 135 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 135 L C 2.416 179.313 176.870 0.045 0.000 1.075 135 L CA 1.768 56.612 54.840 0.006 0.000 0.747 135 L CB -1.333 40.650 42.059 -0.128 0.000 0.903 135 L HN 0.149 nan 8.230 nan 0.000 0.435 136 A N -1.116 121.745 122.820 0.068 0.000 1.859 136 A HA -0.345 3.974 4.320 -0.001 0.000 0.217 136 A C 2.358 180.023 177.584 0.136 0.000 1.198 136 A CA 2.209 54.330 52.037 0.140 0.000 0.629 136 A CB -1.409 17.738 19.000 0.246 0.000 0.830 136 A HN 0.604 nan 8.150 nan 0.000 0.446 137 Y N 1.065 121.392 120.300 0.045 0.000 2.145 137 Y HA -0.191 4.358 4.550 -0.001 0.000 0.286 137 Y C 2.661 178.590 175.900 0.048 0.000 1.145 137 Y CA 2.459 60.587 58.100 0.046 0.000 1.148 137 Y CB -0.644 37.823 38.460 0.012 0.000 0.981 137 Y HN 0.307 nan 8.280 nan 0.000 0.507 138 T N 0.038 114.616 114.554 0.039 0.000 2.857 138 T HA -0.083 4.266 4.350 -0.001 0.000 0.266 138 T C 1.209 175.872 174.700 -0.062 0.000 1.048 138 T CA 1.516 63.592 62.100 -0.040 0.000 1.139 138 T CB -0.058 68.873 68.868 0.104 0.000 0.874 138 T HN 0.297 nan 8.240 nan 0.000 0.455 139 E N 0.521 120.717 120.200 -0.007 0.000 2.501 139 E HA 0.164 4.514 4.350 -0.001 0.000 0.200 139 E C -0.124 176.480 176.600 0.007 0.000 1.016 139 E CA -0.030 56.386 56.400 0.026 0.000 0.921 139 E CB 0.269 29.997 29.700 0.046 0.000 1.034 139 E HN 0.486 nan 8.360 nan 0.000 0.468 140 E N 0.285 120.472 120.200 -0.022 0.000 2.210 140 E HA -0.183 4.167 4.350 -0.001 0.000 0.201 140 E C -0.459 176.162 176.600 0.036 0.000 1.339 140 E CA 0.523 56.923 56.400 -0.000 0.000 0.699 140 E CB -1.201 28.491 29.700 -0.014 0.000 1.126 140 E HN 0.158 nan 8.360 nan 0.000 0.355 141 V N -3.140 116.809 119.914 0.059 0.000 2.960 141 V HA 0.715 4.834 4.120 -0.001 0.000 0.315 141 V C 0.346 176.517 176.094 0.128 0.000 1.087 141 V CA -1.092 61.251 62.300 0.072 0.000 0.982 141 V CB 2.290 34.140 31.823 0.045 0.000 1.039 141 V HN -0.060 nan 8.190 nan 0.000 0.437 142 V N 3.916 123.914 119.914 0.139 0.000 2.408 142 V HA 0.370 4.489 4.120 -0.001 0.000 0.267 142 V C 0.002 176.234 176.094 0.230 0.000 1.047 142 V CA -0.078 62.338 62.300 0.192 0.000 0.937 142 V CB 0.942 32.867 31.823 0.170 0.000 0.999 142 V HN 0.787 nan 8.190 nan 0.000 0.472 143 L N 6.838 128.260 121.223 0.331 0.000 2.272 143 L HA 0.602 4.942 4.340 -0.001 0.000 0.289 143 L C -0.503 176.686 176.870 0.531 0.000 1.032 143 L CA -0.053 55.037 54.840 0.418 0.000 0.810 143 L CB 1.439 43.750 42.059 0.421 0.000 1.205 143 L HN 0.439 nan 8.230 nan 0.000 0.422 144 V N 3.298 123.488 119.914 0.461 0.000 2.513 144 V HA 0.622 4.742 4.120 -0.001 0.000 0.299 144 V C -0.213 176.185 176.094 0.506 0.000 1.035 144 V CA -0.517 62.027 62.300 0.407 0.000 0.889 144 V CB 1.873 33.850 31.823 0.257 0.000 0.988 144 V HN 0.830 nan 8.190 nan 0.000 0.440 145 S N 4.998 120.998 115.700 0.501 0.000 2.561 145 S HA 0.849 5.319 4.470 -0.001 0.000 0.303 145 S C -0.894 173.909 174.600 0.340 0.000 1.110 145 S CA -0.751 57.766 58.200 0.528 0.000 1.034 145 S CB 1.624 65.247 63.200 0.706 0.000 1.010 145 S HN 0.737 nan 8.310 nan 0.000 0.482 146 L N 0.711 122.063 121.223 0.215 0.000 2.347 146 L HA 1.008 5.347 4.340 -0.001 0.000 0.268 146 L C -0.079 176.917 176.870 0.210 0.000 1.019 146 L CA -0.791 54.139 54.840 0.150 0.000 0.806 146 L CB 0.764 42.783 42.059 -0.066 0.000 1.339 146 L HN 0.840 nan 8.230 nan 0.000 0.463 147 S N -1.051 114.848 115.700 0.332 0.000 2.570 147 S HA 0.883 5.353 4.470 -0.001 0.000 0.286 147 S C -1.208 173.638 174.600 0.409 0.000 1.099 147 S CA -0.579 57.827 58.200 0.345 0.000 0.913 147 S CB 1.402 64.856 63.200 0.423 0.000 1.085 147 S HN 1.006 nan 8.310 nan 0.000 0.480 148 Y N -1.323 119.078 120.300 0.168 0.000 2.562 148 Y HA 0.689 5.239 4.550 -0.001 0.000 0.345 148 Y C -0.484 175.570 175.900 0.256 0.000 1.045 148 Y CA -1.511 56.700 58.100 0.185 0.000 1.028 148 Y CB 0.826 39.352 38.460 0.109 0.000 1.297 148 Y HN 0.716 nan 8.280 nan 0.000 0.463 149 R N 1.870 122.516 120.500 0.243 0.000 2.522 149 R HA 0.453 4.793 4.340 -0.001 0.000 0.284 149 R C -0.177 176.298 176.300 0.293 0.000 1.032 149 R CA -0.012 56.191 56.100 0.172 0.000 1.049 149 R CB 0.582 30.950 30.300 0.114 0.000 0.956 149 R HN 0.714 nan 8.270 nan 0.000 0.422 150 V N 0.336 120.439 119.914 0.316 0.000 3.166 150 V HA 0.896 5.016 4.120 -0.001 0.000 0.317 150 V C 0.773 177.201 176.094 0.557 0.000 1.136 150 V CA -0.094 62.513 62.300 0.511 0.000 1.035 150 V CB 1.200 33.212 31.823 0.315 0.000 1.110 150 V HN 0.973 nan 8.190 nan 0.000 0.450 151 G N 0.535 109.701 108.800 0.610 0.000 2.575 151 G HA2 0.024 3.984 3.960 -0.001 0.000 0.267 151 G HA3 0.024 3.984 3.960 -0.001 0.000 0.267 151 G C 0.991 176.092 174.900 0.335 0.000 1.264 151 G CA 0.912 46.316 45.100 0.507 0.000 0.935 151 G HN 2.197 nan 8.290 nan 0.000 0.568 152 A N -1.308 121.406 122.820 -0.177 0.000 1.978 152 A HA 0.220 4.539 4.320 -0.001 0.000 0.220 152 A C 2.232 179.662 177.584 -0.257 0.000 1.170 152 A CA 2.540 54.098 52.037 -0.798 0.000 0.636 152 A CB -0.503 17.821 19.000 -1.126 0.000 0.810 152 A HN 0.960 nan 8.150 nan 0.000 0.448 153 F N -0.068 119.948 119.950 0.110 0.000 2.216 153 F HA -0.014 4.513 4.527 -0.001 0.000 0.300 153 F C 2.405 178.237 175.800 0.053 0.000 1.085 153 F CA 1.229 59.293 58.000 0.106 0.000 1.326 153 F CB -0.473 38.537 39.000 0.018 0.000 1.027 153 F HN 0.301 nan 8.300 nan 0.000 0.497 154 G N -2.541 106.348 108.800 0.148 0.000 2.848 154 G HA2 0.065 4.024 3.960 -0.001 0.000 0.213 154 G HA3 0.065 4.024 3.960 -0.001 0.000 0.213 154 G C 0.703 175.136 174.900 -0.778 0.000 1.101 154 G CA 0.052 44.986 45.100 -0.277 0.000 0.778 154 G HN 0.292 nan 8.290 nan 0.000 0.536 155 F N 0.053 120.095 119.950 0.153 0.000 2.772 155 F HA 0.459 4.985 4.527 -0.001 0.000 0.316 155 F C 0.320 176.174 175.800 0.091 0.000 1.114 155 F CA -1.055 57.014 58.000 0.115 0.000 1.191 155 F CB 0.538 39.632 39.000 0.156 0.000 1.065 155 F HN -0.076 nan 8.300 nan 0.000 0.534 156 L N 2.073 123.275 121.223 -0.034 0.000 2.462 156 L HA 0.533 4.873 4.340 -0.001 0.000 0.272 156 L C 0.134 176.961 176.870 -0.071 0.000 1.166 156 L CA 0.156 54.871 54.840 -0.208 0.000 0.880 156 L CB 0.451 42.074 42.059 -0.726 0.000 1.142 156 L HN 0.140 nan 8.230 nan 0.000 0.473 157 A N 6.875 129.716 122.820 0.034 0.000 2.363 157 A HA 0.553 4.873 4.320 -0.001 0.000 0.296 157 A C -0.668 176.932 177.584 0.026 0.000 1.237 157 A CA -0.492 51.567 52.037 0.038 0.000 0.773 157 A CB 0.475 19.532 19.000 0.094 0.000 1.153 157 A HN 0.738 nan 8.150 nan 0.000 0.473 158 L N 3.606 124.828 121.223 -0.002 0.000 2.589 158 L HA 0.201 4.541 4.340 -0.001 0.000 0.244 158 L C 0.259 177.161 176.870 0.053 0.000 1.159 158 L CA -0.787 54.058 54.840 0.008 0.000 1.074 158 L CB -0.276 41.757 42.059 -0.044 0.000 1.391 158 L HN 0.851 nan 8.230 nan 0.000 0.423 159 H N 1.636 120.706 119.070 0.001 0.000 3.195 159 H HA 0.105 4.660 4.556 -0.001 0.000 0.302 159 H C 1.199 176.534 175.328 0.011 0.000 0.950 159 H CA 1.485 57.541 56.048 0.013 0.000 1.398 159 H CB 0.591 30.364 29.762 0.019 0.000 1.377 159 H HN 0.685 nan 8.280 nan 0.000 0.572 160 G N 2.643 111.110 108.800 -0.555 0.000 2.284 160 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 160 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 160 G C 0.452 175.250 174.900 -0.169 0.000 1.009 160 G CA 0.326 45.204 45.100 -0.369 0.000 0.625 160 G HN 1.056 nan 8.290 nan 0.000 0.501 161 S N 0.146 115.783 115.700 -0.104 0.000 2.616 161 S HA 0.639 5.109 4.470 -0.001 0.000 0.277 161 S C 0.962 175.543 174.600 -0.032 0.000 1.234 161 S CA 0.358 58.529 58.200 -0.048 0.000 1.028 161 S CB 1.731 64.916 63.200 -0.025 0.000 0.988 161 S HN 0.244 nan 8.310 nan 0.000 0.522 162 Q N 0.715 120.509 119.800 -0.009 0.000 2.319 162 Q HA 0.175 4.514 4.340 -0.001 0.000 0.209 162 Q C 0.920 176.940 176.000 0.034 0.000 0.884 162 Q CA 0.096 55.904 55.803 0.009 0.000 0.938 162 Q CB 0.158 28.901 28.738 0.008 0.000 1.098 162 Q HN 0.724 nan 8.270 nan 0.000 0.517 163 E N 1.012 121.235 120.200 0.039 0.000 2.216 163 E HA 0.052 4.402 4.350 -0.001 0.000 0.192 163 E C 0.241 176.907 176.600 0.110 0.000 0.988 163 E CA 0.474 56.918 56.400 0.075 0.000 0.834 163 E CB 0.508 30.254 29.700 0.078 0.000 0.772 163 E HN 0.171 nan 8.360 nan 0.000 0.479 164 A N 1.266 124.121 122.820 0.059 0.000 3.307 164 A HA 0.291 4.610 4.320 -0.001 0.000 0.289 164 A C -2.144 175.447 177.584 0.011 0.000 1.138 164 A CA -0.849 51.207 52.037 0.032 0.000 0.860 164 A CB 0.717 19.644 19.000 -0.123 0.000 1.318 164 A HN -0.131 nan 8.150 nan 0.000 0.551 165 P HA 0.155 nan 4.420 nan 0.000 0.222 165 P C 0.917 178.275 177.300 0.097 0.000 1.153 165 P CA 1.849 64.988 63.100 0.066 0.000 0.798 165 P CB 0.250 31.992 31.700 0.070 0.000 0.796 166 G N 0.197 109.032 108.800 0.059 0.000 2.619 166 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.686 166 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.686 166 G C -0.119 174.799 174.900 0.031 0.000 1.256 166 G CA -0.276 44.863 45.100 0.066 0.000 0.826 166 G HN 0.069 nan 8.290 nan 0.000 0.619 167 N N -2.348 116.365 118.700 0.020 0.000 2.809 167 N HA -0.302 4.437 4.740 -0.001 0.000 0.244 167 N C 2.092 177.479 175.510 -0.206 0.000 1.018 167 N CA 2.683 55.679 53.050 -0.089 0.000 0.917 167 N CB -1.551 36.836 38.487 -0.167 0.000 1.130 167 N HN 1.965 nan 8.380 nan 0.000 0.591 168 V N -2.429 117.372 119.914 -0.188 0.000 2.688 168 V HA -0.072 4.048 4.120 -0.001 0.000 0.256 168 V C 2.235 178.216 176.094 -0.189 0.000 1.084 168 V CA 2.431 64.655 62.300 -0.126 0.000 1.103 168 V CB -0.964 30.829 31.823 -0.049 0.000 0.688 168 V HN 0.309 nan 8.190 nan 0.000 0.480 169 G N 0.074 108.561 108.800 -0.521 0.000 2.422 169 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.218 169 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.218 169 G C 1.513 176.406 174.900 -0.012 0.000 1.140 169 G CA 0.968 45.878 45.100 -0.316 0.000 0.775 169 G HN 0.542 nan 8.290 nan 0.000 0.545 170 L N -0.160 121.013 121.223 -0.082 0.000 2.109 170 L HA 0.095 4.435 4.340 -0.001 0.000 0.207 170 L C 2.809 179.753 176.870 0.123 0.000 1.086 170 L CA 0.401 55.187 54.840 -0.090 0.000 0.760 170 L CB -0.284 41.426 42.059 -0.582 0.000 0.910 170 L HN 0.173 nan 8.230 nan 0.000 0.437 171 L N -0.510 120.773 121.223 0.100 0.000 2.141 171 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 171 L C 2.143 179.113 176.870 0.167 0.000 1.094 171 L CA 0.879 55.833 54.840 0.190 0.000 0.763 171 L CB -0.642 41.503 42.059 0.144 0.000 0.908 171 L HN 0.272 nan 8.230 nan 0.000 0.437 172 D N -0.027 120.468 120.400 0.159 0.000 2.123 172 D HA -0.207 4.433 4.640 -0.001 0.000 0.196 172 D C 2.299 178.698 176.300 0.165 0.000 0.992 172 D CA 1.187 55.343 54.000 0.261 0.000 0.833 172 D CB -0.151 40.840 40.800 0.319 0.000 0.954 172 D HN 0.408 nan 8.370 nan 0.000 0.455 173 Q N 0.035 119.892 119.800 0.096 0.000 2.079 173 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 173 Q C 2.285 178.214 176.000 -0.118 0.000 0.974 173 Q CA 0.840 56.622 55.803 -0.036 0.000 0.840 173 Q CB -0.018 28.748 28.738 0.046 0.000 0.898 173 Q HN 0.185 nan 8.270 nan 0.000 0.430 174 R N 0.412 120.920 120.500 0.014 0.000 2.096 174 R HA -0.217 4.123 4.340 -0.001 0.000 0.240 174 R C 2.238 178.514 176.300 -0.039 0.000 1.139 174 R CA 1.817 57.895 56.100 -0.036 0.000 0.952 174 R CB -0.182 30.194 30.300 0.127 0.000 0.854 174 R HN 0.212 nan 8.270 nan 0.000 0.436 175 M N 0.225 119.838 119.600 0.021 0.000 2.108 175 M HA -0.129 4.351 4.480 -0.001 0.000 0.261 175 M C 1.993 178.255 176.300 -0.064 0.000 1.066 175 M CA 2.163 57.508 55.300 0.075 0.000 1.107 175 M CB -0.253 32.494 32.600 0.244 0.000 1.356 175 M HN 0.262 nan 8.290 nan 0.000 0.406 176 A N -0.657 121.861 122.820 -0.504 0.000 1.968 176 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 176 A C 2.157 179.624 177.584 -0.196 0.000 1.169 176 A CA 1.250 52.807 52.037 -0.800 0.000 0.638 176 A CB -0.907 17.223 19.000 -1.451 0.000 0.812 176 A HN 0.559 nan 8.150 nan 0.000 0.446 177 L N -1.078 120.054 121.223 -0.152 0.000 2.093 177 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 177 L C 2.834 179.748 176.870 0.073 0.000 1.085 177 L CA 1.610 56.426 54.840 -0.040 0.000 0.755 177 L CB -0.364 41.623 42.059 -0.119 0.000 0.904 177 L HN 0.463 nan 8.230 nan 0.000 0.435 178 Q N -0.381 119.457 119.800 0.064 0.000 2.096 178 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 178 Q C 1.951 178.073 176.000 0.204 0.000 0.982 178 Q CA 2.017 57.886 55.803 0.109 0.000 0.850 178 Q CB -0.512 28.282 28.738 0.093 0.000 0.901 178 Q HN 0.511 nan 8.270 nan 0.000 0.422 179 W N -1.019 120.306 121.300 0.042 0.000 2.467 179 W HA -0.033 4.627 4.660 -0.001 0.000 0.275 179 W C 1.603 178.178 176.519 0.094 0.000 1.239 179 W CA 1.047 58.443 57.345 0.086 0.000 1.266 179 W CB 0.220 29.742 29.460 0.103 0.000 1.112 179 W HN -0.005 nan 8.180 nan 0.000 0.576 180 V N -0.319 119.800 119.914 0.342 0.000 2.323 180 V HA -0.321 3.798 4.120 -0.001 0.000 0.244 180 V C 2.482 178.617 176.094 0.069 0.000 1.041 180 V CA 2.218 64.656 62.300 0.229 0.000 1.025 180 V CB -1.244 30.705 31.823 0.210 0.000 0.656 180 V HN 0.290 nan 8.190 nan 0.000 0.451 181 H N 0.675 119.751 119.070 0.009 0.000 2.289 181 H HA -0.227 4.329 4.556 -0.001 0.000 0.294 181 H C 1.924 177.190 175.328 -0.103 0.000 1.095 181 H CA 2.360 58.388 56.048 -0.033 0.000 1.256 181 H CB 0.017 29.770 29.762 -0.016 0.000 1.359 181 H HN 0.407 nan 8.280 nan 0.000 0.487 182 D N -0.474 119.864 120.400 -0.102 0.000 2.317 182 D HA -0.037 4.602 4.640 -0.001 0.000 0.211 182 D C 1.153 177.270 176.300 -0.304 0.000 0.966 182 D CA 0.599 54.482 54.000 -0.194 0.000 0.876 182 D CB 0.008 40.733 40.800 -0.125 0.000 0.927 182 D HN 0.449 nan 8.370 nan 0.000 0.519 183 N N -0.353 118.105 118.700 -0.403 0.000 2.113 183 N HA 0.035 4.774 4.740 -0.001 0.000 0.223 183 N C 1.314 176.759 175.510 -0.108 0.000 1.310 183 N CA -0.138 52.719 53.050 -0.321 0.000 0.896 183 N CB 1.148 39.099 38.487 -0.894 0.000 1.097 183 N HN 0.013 nan 8.380 nan 0.000 0.507 184 I N 3.072 123.587 120.570 -0.093 0.000 2.454 184 I HA -0.231 3.939 4.170 -0.001 0.000 0.254 184 I C 2.566 178.683 176.117 -0.001 0.000 1.156 184 I CA 1.350 62.714 61.300 0.106 0.000 1.433 184 I CB -0.153 37.881 38.000 0.056 0.000 1.082 184 I HN 0.183 nan 8.210 nan 0.000 0.432 185 Q N -0.498 119.115 119.800 -0.313 0.000 2.181 185 Q HA -0.247 4.092 4.340 -0.001 0.000 0.205 185 Q C 1.800 177.559 176.000 -0.402 0.000 0.980 185 Q CA 1.781 57.341 55.803 -0.405 0.000 0.862 185 Q CB -0.924 27.455 28.738 -0.598 0.000 0.905 185 Q HN 0.438 nan 8.270 nan 0.000 0.429 186 F N -0.350 119.519 119.950 -0.134 0.000 2.699 186 F HA 0.103 4.630 4.527 -0.001 0.000 0.298 186 F C 0.872 176.423 175.800 -0.414 0.000 1.154 186 F CA 0.343 58.164 58.000 -0.299 0.000 1.457 186 F CB -0.102 38.621 39.000 -0.461 0.000 1.106 186 F HN 0.006 nan 8.300 nan 0.000 0.585 187 F N -0.803 119.153 119.950 0.011 0.000 2.678 187 F HA 0.432 4.958 4.527 -0.001 0.000 0.305 187 F C 1.731 177.548 175.800 0.027 0.000 1.090 187 F CA 0.339 58.334 58.000 -0.009 0.000 1.272 187 F CB 0.321 39.303 39.000 -0.031 0.000 1.060 187 F HN 0.004 nan 8.300 nan 0.000 0.576 188 G N 0.273 109.151 108.800 0.131 0.000 2.163 188 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.213 188 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.213 188 G C 0.452 175.395 174.900 0.072 0.000 0.991 188 G CA -0.350 44.804 45.100 0.089 0.000 0.653 188 G HN 0.686 nan 8.290 nan 0.000 0.518 189 G N -0.409 108.437 108.800 0.076 0.000 2.389 189 G HA2 0.520 4.480 3.960 -0.001 0.000 0.328 189 G HA3 0.520 4.480 3.960 -0.001 0.000 0.328 189 G C -0.942 173.947 174.900 -0.019 0.000 1.133 189 G CA 0.146 45.275 45.100 0.049 0.000 0.891 189 G HN 0.244 nan 8.290 nan 0.000 0.485 190 D N 1.880 122.269 120.400 -0.019 0.000 2.411 190 D HA 0.258 4.898 4.640 -0.001 0.000 0.225 190 D C -1.111 175.159 176.300 -0.050 0.000 1.156 190 D CA -2.452 51.517 54.000 -0.051 0.000 0.874 190 D CB 1.663 42.441 40.800 -0.037 0.000 1.034 190 D HN 0.063 nan 8.370 nan 0.000 0.502 191 P HA -0.119 nan 4.420 nan 0.000 0.234 191 P C 0.398 177.669 177.300 -0.048 0.000 1.162 191 P CA 0.623 63.655 63.100 -0.113 0.000 0.759 191 P CB 0.332 31.841 31.700 -0.318 0.000 0.813 192 K N -1.193 119.182 120.400 -0.042 0.000 2.358 192 K HA 0.172 4.491 4.320 -0.001 0.000 0.200 192 K C 0.409 177.003 176.600 -0.009 0.000 1.030 192 K CA 0.450 56.727 56.287 -0.017 0.000 1.097 192 K CB 0.371 32.848 32.500 -0.038 0.000 0.862 192 K HN 0.048 nan 8.250 nan 0.000 0.534 193 T N 1.232 115.784 114.554 -0.003 0.000 3.630 193 T HA 0.232 4.581 4.350 -0.001 0.000 0.238 193 T C -0.426 174.291 174.700 0.030 0.000 1.195 193 T CA -0.282 61.815 62.100 -0.004 0.000 1.433 193 T CB 0.705 69.556 68.868 -0.028 0.000 0.940 193 T HN -0.295 nan 8.240 nan 0.000 0.641 194 V N 2.215 122.175 119.914 0.076 0.000 2.364 194 V HA 0.371 4.490 4.120 -0.001 0.000 0.272 194 V C 0.512 176.715 176.094 0.182 0.000 1.036 194 V CA -0.291 62.087 62.300 0.131 0.000 0.880 194 V CB 1.239 33.167 31.823 0.176 0.000 0.991 194 V HN 0.488 nan 8.190 nan 0.000 0.460 195 T N 6.987 121.628 114.554 0.146 0.000 2.767 195 T HA 0.558 4.908 4.350 -0.001 0.000 0.284 195 T C -0.037 174.785 174.700 0.203 0.000 0.973 195 T CA -0.139 62.063 62.100 0.170 0.000 0.996 195 T CB 0.544 69.465 68.868 0.089 0.000 0.927 195 T HN 0.602 nan 8.240 nan 0.000 0.456 196 I N 2.220 122.890 120.570 0.166 0.000 2.353 196 I HA 0.826 4.995 4.170 -0.001 0.000 0.293 196 I C -0.842 175.428 176.117 0.256 0.000 0.992 196 I CA -0.980 60.383 61.300 0.105 0.000 1.268 196 I CB 0.873 38.715 38.000 -0.264 0.000 1.387 196 I HN 0.453 nan 8.210 nan 0.000 0.478 197 F N 3.451 123.425 119.950 0.041 0.000 2.591 197 F HA 1.000 5.527 4.527 -0.001 0.000 0.309 197 F C -0.464 175.303 175.800 -0.055 0.000 1.098 197 F CA -1.369 56.691 58.000 0.099 0.000 0.937 197 F CB 1.383 40.557 39.000 0.290 0.000 1.250 197 F HN 0.812 nan 8.300 nan 0.000 0.447 198 G N 1.390 110.043 108.800 -0.244 0.000 2.646 198 G HA2 0.490 4.449 3.960 -0.001 0.000 0.291 198 G HA3 0.490 4.449 3.960 -0.001 0.000 0.291 198 G C -2.475 172.227 174.900 -0.330 0.000 1.445 198 G CA -0.801 43.811 45.100 -0.813 0.000 0.814 198 G HN 0.846 nan 8.290 nan 0.000 0.495 199 E N 0.043 120.006 120.200 -0.396 0.000 2.227 199 E HA 0.568 4.917 4.350 -0.001 0.000 0.268 199 E C 1.077 177.603 176.600 -0.124 0.000 0.907 199 E CA 0.558 56.925 56.400 -0.056 0.000 0.786 199 E CB 2.008 31.811 29.700 0.171 0.000 1.191 199 E HN 1.394 nan 8.360 nan 0.000 0.411 200 S N 3.259 118.940 115.700 -0.033 0.000 4.150 200 S HA -0.410 4.059 4.470 -0.001 0.000 0.551 200 S C 1.613 176.278 174.600 0.107 0.000 1.874 200 S CA 1.681 59.934 58.200 0.088 0.000 4.241 200 S CB -1.795 61.383 63.200 -0.037 0.000 0.292 200 S HN 1.023 nan 8.310 nan 0.000 0.469 201 A N 2.074 124.832 122.820 -0.104 0.000 2.067 201 A HA 0.359 4.679 4.320 -0.001 0.000 0.219 201 A C 2.531 179.854 177.584 -0.435 0.000 1.158 201 A CA 2.092 53.871 52.037 -0.429 0.000 0.661 201 A CB -1.731 16.621 19.000 -1.080 0.000 0.801 201 A HN 1.750 nan 8.150 nan 0.000 0.452 202 G N -0.403 108.204 108.800 -0.322 0.000 2.394 202 G HA2 0.088 4.048 3.960 -0.001 0.000 0.214 202 G HA3 0.088 4.048 3.960 -0.001 0.000 0.214 202 G C 1.505 176.223 174.900 -0.304 0.000 1.176 202 G CA 1.064 45.930 45.100 -0.389 0.000 0.786 202 G HN 0.622 nan 8.290 nan 0.000 0.533 203 G N 1.017 109.692 108.800 -0.208 0.000 2.408 203 G HA2 0.080 4.040 3.960 -0.001 0.000 0.217 203 G HA3 0.080 4.040 3.960 -0.001 0.000 0.217 203 G C 2.002 176.797 174.900 -0.175 0.000 1.150 203 G CA 1.481 46.496 45.100 -0.142 0.000 0.776 203 G HN 0.620 nan 8.290 nan 0.000 0.542 204 A N 0.553 123.285 122.820 -0.146 0.000 1.930 204 A HA 0.094 4.414 4.320 -0.001 0.000 0.217 204 A C 2.673 180.186 177.584 -0.118 0.000 1.175 204 A CA 2.048 53.979 52.037 -0.177 0.000 0.627 204 A CB -0.542 18.364 19.000 -0.157 0.000 0.815 204 A HN 0.287 nan 8.150 nan 0.000 0.443 205 S N -0.434 115.206 115.700 -0.100 0.000 2.359 205 S HA -0.146 4.324 4.470 -0.001 0.000 0.224 205 S C 1.950 176.437 174.600 -0.189 0.000 1.035 205 S CA 1.443 59.555 58.200 -0.146 0.000 1.018 205 S CB -0.484 62.580 63.200 -0.226 0.000 0.876 205 S HN 0.344 nan 8.310 nan 0.000 0.448 206 V N 1.507 121.332 119.914 -0.148 0.000 2.231 206 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 206 V C 2.620 178.668 176.094 -0.077 0.000 1.054 206 V CA 2.163 64.392 62.300 -0.118 0.000 1.015 206 V CB -1.488 30.253 31.823 -0.136 0.000 0.638 206 V HN 0.609 nan 8.190 nan 0.000 0.444 207 G N -1.269 107.442 108.800 -0.148 0.000 2.462 207 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.220 207 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.220 207 G C 1.564 176.487 174.900 0.039 0.000 1.121 207 G CA 1.130 46.136 45.100 -0.158 0.000 0.758 207 G HN 0.479 nan 8.290 nan 0.000 0.559 208 M N -0.506 119.118 119.600 0.041 0.000 2.288 208 M HA 0.064 4.543 4.480 -0.001 0.000 0.266 208 M C 2.240 178.678 176.300 0.230 0.000 1.072 208 M CA 0.712 56.167 55.300 0.258 0.000 1.132 208 M CB -0.173 32.595 32.600 0.280 0.000 1.386 208 M HN 0.139 nan 8.290 nan 0.000 0.432 209 H N 0.149 119.340 119.070 0.201 0.000 2.462 209 H HA 0.053 4.608 4.556 -0.001 0.000 0.292 209 H C 2.047 177.561 175.328 0.310 0.000 1.049 209 H CA 1.206 57.354 56.048 0.168 0.000 1.334 209 H CB -0.161 29.587 29.762 -0.023 0.000 1.404 209 H HN 0.393 nan 8.280 nan 0.000 0.544 210 I N 0.184 121.028 120.570 0.458 0.000 2.493 210 I HA -0.204 3.965 4.170 -0.001 0.000 0.254 210 I C 1.915 178.281 176.117 0.414 0.000 1.160 210 I CA 0.844 62.450 61.300 0.509 0.000 1.445 210 I CB 0.036 38.297 38.000 0.433 0.000 1.086 210 I HN 0.134 nan 8.210 nan 0.000 0.433 211 L N -0.846 120.589 121.223 0.352 0.000 2.253 211 L HA 0.062 4.402 4.340 -0.001 0.000 0.205 211 L C 1.447 178.424 176.870 0.178 0.000 1.078 211 L CA 0.139 55.181 54.840 0.338 0.000 0.805 211 L CB -0.075 42.228 42.059 0.406 0.000 0.963 211 L HN -0.016 nan 8.230 nan 0.000 0.459 212 S N 0.535 116.244 115.700 0.016 0.000 2.481 212 S HA 0.075 4.545 4.470 -0.001 0.000 0.282 212 S C -1.475 173.001 174.600 -0.207 0.000 1.243 212 S CA -1.316 56.684 58.200 -0.333 0.000 1.078 212 S CB 0.742 63.304 63.200 -1.065 0.000 0.916 212 S HN -0.072 nan 8.310 nan 0.000 0.495 213 P HA -0.103 nan 4.420 nan 0.000 0.216 213 P C 1.439 178.651 177.300 -0.146 0.000 1.157 213 P CA 1.334 64.365 63.100 -0.116 0.000 0.880 213 P CB -0.184 31.457 31.700 -0.098 0.000 0.791 214 G N -1.701 106.968 108.800 -0.219 0.000 2.653 214 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.212 214 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.212 214 G C 1.263 176.068 174.900 -0.158 0.000 1.138 214 G CA 0.743 45.727 45.100 -0.192 0.000 0.782 214 G HN 0.260 nan 8.290 nan 0.000 0.535 215 S N -0.741 114.887 115.700 -0.120 0.000 2.670 215 S HA 0.083 4.552 4.470 -0.001 0.000 0.241 215 S C 2.172 176.831 174.600 0.099 0.000 1.077 215 S CA -0.423 57.784 58.200 0.012 0.000 0.899 215 S CB 0.224 63.535 63.200 0.184 0.000 0.835 215 S HN 0.438 nan 8.310 nan 0.000 0.481 216 R N 2.078 122.602 120.500 0.039 0.000 2.154 216 R HA -0.116 4.223 4.340 -0.001 0.000 0.248 216 R C 0.491 176.602 176.300 -0.315 0.000 1.155 216 R CA 1.577 57.611 56.100 -0.110 0.000 0.979 216 R CB -0.652 29.600 30.300 -0.079 0.000 0.869 216 R HN 0.319 nan 8.270 nan 0.000 0.452 217 D N 0.815 121.092 120.400 -0.204 0.000 2.347 217 D HA 0.010 4.650 4.640 -0.001 0.000 0.213 217 D C 1.644 177.794 176.300 -0.249 0.000 0.985 217 D CA 0.568 54.429 54.000 -0.232 0.000 0.879 217 D CB 0.054 40.741 40.800 -0.189 0.000 0.919 217 D HN 0.246 nan 8.370 nan 0.000 0.526 218 L N -0.017 121.108 121.223 -0.165 0.000 2.610 218 L HA 0.106 4.446 4.340 -0.001 0.000 0.232 218 L C 0.109 177.084 176.870 0.174 0.000 1.149 218 L CA 0.165 54.973 54.840 -0.053 0.000 0.872 218 L CB -0.394 41.671 42.059 0.009 0.000 0.992 218 L HN -0.026 nan 8.230 nan 0.000 0.447 219 F N -3.952 115.993 119.950 -0.008 0.000 2.741 219 F HA 0.510 5.037 4.527 -0.001 0.000 0.313 219 F C 0.379 176.202 175.800 0.038 0.000 1.153 219 F CA -1.354 56.665 58.000 0.032 0.000 0.931 219 F CB 1.210 40.227 39.000 0.027 0.000 1.335 219 F HN -0.381 nan 8.300 nan 0.000 0.460 220 R N 0.483 121.008 120.500 0.041 0.000 2.164 220 R HA 0.494 4.834 4.340 -0.001 0.000 0.198 220 R C -0.131 176.211 176.300 0.069 0.000 1.028 220 R CA 0.602 56.679 56.100 -0.037 0.000 1.083 220 R CB 0.427 30.733 30.300 0.010 0.000 1.026 220 R HN 0.732 nan 8.270 nan 0.000 0.514 221 R N -0.723 119.928 120.500 0.252 0.000 2.837 221 R HA 0.722 5.061 4.340 -0.001 0.000 0.271 221 R C -1.654 174.896 176.300 0.416 0.000 0.993 221 R CA -0.679 55.580 56.100 0.265 0.000 0.931 221 R CB 2.341 32.639 30.300 -0.004 0.000 1.206 221 R HN 0.215 nan 8.270 nan 0.000 0.474 222 A N 2.588 125.648 122.820 0.401 0.000 2.414 222 A HA 0.673 4.993 4.320 -0.001 0.000 0.306 222 A C -0.998 176.687 177.584 0.168 0.000 1.054 222 A CA -0.650 51.542 52.037 0.259 0.000 0.724 222 A CB 1.126 20.240 19.000 0.190 0.000 1.267 222 A HN 0.609 nan 8.150 nan 0.000 0.418 223 I N 2.240 122.873 120.570 0.105 0.000 2.410 223 I HA 0.331 4.501 4.170 -0.001 0.000 0.286 223 I C -1.377 174.784 176.117 0.074 0.000 1.009 223 I CA -0.509 60.784 61.300 -0.012 0.000 1.111 223 I CB 1.688 39.667 38.000 -0.035 0.000 1.262 223 I HN 0.417 nan 8.210 nan 0.000 0.443 224 L N 6.912 128.143 121.223 0.014 0.000 2.298 224 L HA 0.423 4.763 4.340 -0.001 0.000 0.284 224 L C -0.314 176.619 176.870 0.105 0.000 1.013 224 L CA -0.136 54.709 54.840 0.008 0.000 0.824 224 L CB 1.372 43.368 42.059 -0.105 0.000 1.221 224 L HN 0.503 nan 8.230 nan 0.000 0.418 225 Q N 1.928 121.835 119.800 0.178 0.000 2.372 225 Q HA 0.435 4.775 4.340 -0.001 0.000 0.259 225 Q C -0.053 176.048 176.000 0.168 0.000 0.993 225 Q CA -0.471 55.507 55.803 0.292 0.000 0.854 225 Q CB 1.362 30.365 28.738 0.440 0.000 1.231 225 Q HN 0.655 nan 8.270 nan 0.000 0.462 226 S N 1.316 117.105 115.700 0.149 0.000 3.550 226 S HA -0.158 4.312 4.470 -0.001 0.000 0.372 226 S C -0.006 174.728 174.600 0.222 0.000 0.966 226 S CA 0.514 58.822 58.200 0.180 0.000 1.229 226 S CB -1.219 62.106 63.200 0.208 0.000 0.917 226 S HN 0.970 nan 8.310 nan 0.000 0.496 227 G N -0.385 108.486 108.800 0.118 0.000 2.498 227 G HA2 0.581 4.541 3.960 -0.001 0.000 0.301 227 G HA3 0.581 4.541 3.960 -0.001 0.000 0.301 227 G C -0.991 173.825 174.900 -0.139 0.000 1.577 227 G CA 0.131 45.293 45.100 0.103 0.000 0.868 227 G HN 1.270 nan 8.290 nan 0.000 0.599 228 S N 1.716 117.246 115.700 -0.283 0.000 2.550 228 S HA 0.806 5.276 4.470 -0.001 0.000 0.270 228 S C -2.252 172.026 174.600 -0.537 0.000 1.145 228 S CA -0.953 56.926 58.200 -0.536 0.000 0.852 228 S CB 3.006 65.908 63.200 -0.497 0.000 1.119 228 S HN 0.388 nan 8.310 nan 0.000 0.465 229 P HA -0.067 nan 4.420 nan 0.000 0.222 229 P C 0.561 177.629 177.300 -0.386 0.000 1.147 229 P CA 1.084 63.946 63.100 -0.397 0.000 0.790 229 P CB -0.318 31.221 31.700 -0.267 0.000 0.780 230 N N -0.805 117.694 118.700 -0.334 0.000 2.314 230 N HA -0.010 4.729 4.740 -0.001 0.000 0.200 230 N C -0.021 175.259 175.510 -0.383 0.000 1.135 230 N CA -0.267 52.627 53.050 -0.260 0.000 0.835 230 N CB -1.353 37.109 38.487 -0.041 0.000 0.989 230 N HN 0.003 nan 8.380 nan 0.000 0.478 231 C N 2.675 121.615 119.300 -0.600 0.000 2.657 231 C HA 0.110 4.569 4.460 -0.001 0.000 0.420 231 C C -0.254 174.241 174.990 -0.825 0.000 1.323 231 C CA -0.921 57.597 59.018 -0.833 0.000 1.894 231 C CB 1.181 28.070 27.740 -1.418 0.000 2.681 231 C HN 0.353 nan 8.230 nan 0.000 0.613 232 P HA -0.118 nan 4.420 nan 0.000 0.219 232 P C 1.160 178.310 177.300 -0.249 0.000 1.146 232 P CA 1.853 64.713 63.100 -0.401 0.000 0.808 232 P CB -0.097 31.377 31.700 -0.377 0.000 0.779 233 W N -1.459 119.730 121.300 -0.186 0.000 3.211 233 W HA 0.564 5.224 4.660 -0.001 0.000 0.292 233 W C 1.241 177.824 176.519 0.107 0.000 1.268 233 W CA 0.328 57.651 57.345 -0.036 0.000 1.702 233 W CB -1.134 28.338 29.460 0.020 0.000 1.092 233 W HN -0.125 nan 8.180 nan 0.000 0.643 234 A N 1.500 124.005 122.820 -0.525 0.000 2.119 234 A HA 0.113 4.432 4.320 -0.001 0.000 0.216 234 A C 1.115 178.538 177.584 -0.269 0.000 1.152 234 A CA 1.317 53.172 52.037 -0.304 0.000 0.708 234 A CB -0.557 18.030 19.000 -0.687 0.000 0.805 234 A HN 0.235 nan 8.150 nan 0.000 0.460 235 S N -1.877 113.653 115.700 -0.283 0.000 2.596 235 S HA 0.645 5.115 4.470 -0.001 0.000 0.270 235 S C -0.782 173.693 174.600 -0.209 0.000 1.155 235 S CA -0.103 57.918 58.200 -0.297 0.000 0.827 235 S CB 1.371 64.331 63.200 -0.400 0.000 1.130 235 S HN 1.223 nan 8.310 nan 0.000 0.467 236 V N -0.802 119.005 119.914 -0.179 0.000 3.102 236 V HA 0.929 5.048 4.120 -0.001 0.000 0.312 236 V C 0.386 176.403 176.094 -0.130 0.000 1.135 236 V CA -0.460 61.758 62.300 -0.137 0.000 1.022 236 V CB 1.096 32.852 31.823 -0.111 0.000 1.056 236 V HN 1.483 nan 8.190 nan 0.000 0.436 237 S N 0.886 116.520 115.700 -0.109 0.000 2.596 237 S HA 0.209 4.678 4.470 -0.001 0.000 0.260 237 S C 1.284 175.831 174.600 -0.089 0.000 1.336 237 S CA 0.168 58.309 58.200 -0.099 0.000 0.993 237 S CB 1.221 64.374 63.200 -0.078 0.000 0.923 237 S HN 2.190 nan 8.310 nan 0.000 0.567 238 V N -0.690 119.162 119.914 -0.104 0.000 2.667 238 V HA 0.118 4.237 4.120 -0.001 0.000 0.252 238 V C 2.413 178.487 176.094 -0.033 0.000 1.065 238 V CA 1.552 63.797 62.300 -0.093 0.000 1.083 238 V CB -1.735 29.955 31.823 -0.222 0.000 0.692 238 V HN 1.023 nan 8.190 nan 0.000 0.468 239 A N 0.609 123.407 122.820 -0.036 0.000 1.877 239 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 239 A C 2.184 179.748 177.584 -0.033 0.000 1.186 239 A CA 2.001 54.026 52.037 -0.021 0.000 0.620 239 A CB -0.696 18.291 19.000 -0.022 0.000 0.822 239 A HN 0.644 nan 8.150 nan 0.000 0.443 240 E N 0.159 120.328 120.200 -0.052 0.000 2.106 240 E HA -0.043 4.306 4.350 -0.001 0.000 0.192 240 E C 1.971 178.531 176.600 -0.067 0.000 0.984 240 E CA 1.532 57.888 56.400 -0.074 0.000 0.806 240 E CB -0.842 28.803 29.700 -0.091 0.000 0.750 240 E HN 0.396 nan 8.360 nan 0.000 0.458 241 G N 0.530 109.303 108.800 -0.044 0.000 2.422 241 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.218 241 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.218 241 G C 1.771 176.683 174.900 0.019 0.000 1.146 241 G CA 0.845 45.941 45.100 -0.006 0.000 0.769 241 G HN 0.305 nan 8.290 nan 0.000 0.547 242 R N 0.275 120.781 120.500 0.011 0.000 2.066 242 R HA 0.017 4.356 4.340 -0.001 0.000 0.232 242 R C 2.583 178.883 176.300 -0.001 0.000 1.131 242 R CA 1.336 57.445 56.100 0.014 0.000 0.955 242 R CB -0.365 29.947 30.300 0.021 0.000 0.851 242 R HN 0.318 nan 8.270 nan 0.000 0.432 243 R N 0.569 121.057 120.500 -0.021 0.000 2.083 243 R HA -0.152 4.188 4.340 -0.001 0.000 0.237 243 R C 2.135 178.412 176.300 -0.037 0.000 1.137 243 R CA 1.938 58.017 56.100 -0.035 0.000 0.951 243 R CB -0.143 30.121 30.300 -0.059 0.000 0.851 243 R HN 0.277 nan 8.270 nan 0.000 0.434 244 R N -0.221 120.246 120.500 -0.054 0.000 2.148 244 R HA -0.043 4.296 4.340 -0.001 0.000 0.227 244 R C 2.254 178.604 176.300 0.082 0.000 1.103 244 R CA 1.031 57.093 56.100 -0.065 0.000 0.983 244 R CB -0.220 29.941 30.300 -0.233 0.000 0.874 244 R HN 0.276 nan 8.270 nan 0.000 0.451 245 A N 0.906 123.788 122.820 0.103 0.000 1.897 245 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 245 A C 2.359 179.954 177.584 0.018 0.000 1.181 245 A CA 1.010 53.099 52.037 0.087 0.000 0.620 245 A CB -0.363 18.634 19.000 -0.004 0.000 0.821 245 A HN 0.079 nan 8.150 nan 0.000 0.443 246 V N 0.204 120.122 119.914 0.005 0.000 2.295 246 V HA -0.211 3.908 4.120 -0.001 0.000 0.246 246 V C 2.587 178.684 176.094 0.005 0.000 1.049 246 V CA 2.091 64.389 62.300 -0.004 0.000 1.024 246 V CB -0.758 31.061 31.823 -0.006 0.000 0.648 246 V HN 0.475 nan 8.190 nan 0.000 0.447 247 E N -0.055 120.149 120.200 0.007 0.000 2.130 247 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 247 E C 2.087 178.706 176.600 0.030 0.000 0.998 247 E CA 1.325 57.730 56.400 0.007 0.000 0.806 247 E CB -0.477 29.215 29.700 -0.013 0.000 0.738 247 E HN 0.479 nan 8.360 nan 0.000 0.459 248 L N 0.206 121.467 121.223 0.063 0.000 2.083 248 L HA -0.046 4.294 4.340 -0.001 0.000 0.209 248 L C 2.133 179.020 176.870 0.028 0.000 1.083 248 L CA 2.251 57.139 54.840 0.080 0.000 0.752 248 L CB -0.809 41.332 42.059 0.136 0.000 0.899 248 L HN 0.129 nan 8.230 nan 0.000 0.433 249 G N -1.126 107.678 108.800 0.007 0.000 2.408 249 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 249 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 249 G C 1.802 176.706 174.900 0.008 0.000 1.150 249 G CA 0.638 45.736 45.100 -0.003 0.000 0.776 249 G HN 0.366 nan 8.290 nan 0.000 0.542 250 R N 0.403 120.910 120.500 0.011 0.000 2.091 250 R HA -0.045 4.295 4.340 -0.001 0.000 0.238 250 R C 2.192 178.502 176.300 0.018 0.000 1.136 250 R CA 1.354 57.461 56.100 0.012 0.000 0.959 250 R CB -0.291 30.015 30.300 0.010 0.000 0.856 250 R HN 0.309 nan 8.270 nan 0.000 0.437 251 N N 0.138 118.853 118.700 0.025 0.000 2.520 251 N HA -0.101 4.639 4.740 -0.001 0.000 0.185 251 N C 0.766 176.296 175.510 0.033 0.000 1.068 251 N CA 0.789 53.859 53.050 0.033 0.000 0.911 251 N CB 0.226 38.740 38.487 0.046 0.000 0.961 251 N HN 0.279 nan 8.380 nan 0.000 0.446 252 L N 0.413 121.651 121.223 0.025 0.000 3.014 252 L HA 0.216 4.555 4.340 -0.001 0.000 0.263 252 L C -0.287 176.592 176.870 0.015 0.000 1.207 252 L CA -0.162 54.691 54.840 0.023 0.000 1.017 252 L CB 0.081 42.151 42.059 0.020 0.000 1.360 252 L HN -0.008 nan 8.230 nan 0.000 0.560 253 N N -0.216 118.493 118.700 0.015 0.000 2.725 253 N HA -0.175 4.565 4.740 -0.001 0.000 0.251 253 N C -0.208 175.307 175.510 0.008 0.000 1.031 253 N CA 0.525 53.582 53.050 0.013 0.000 0.720 253 N CB -1.759 36.736 38.487 0.014 0.000 0.930 253 N HN 0.283 nan 8.380 nan 0.000 0.543 254 c N 0.957 119.560 118.600 0.006 0.000 2.459 254 c HA 0.249 4.819 4.570 -0.001 0.000 0.374 254 c C 1.362 175.458 174.090 0.009 0.000 1.241 254 c CA -0.976 55.355 56.329 0.003 0.000 2.352 254 c CB 1.025 43.534 42.510 -0.002 0.000 2.490 254 c HN 0.408 nan 8.230 nan 0.000 0.583 255 N N 1.779 120.488 118.700 0.015 0.000 2.447 255 N HA 0.073 4.813 4.740 -0.001 0.000 0.263 255 N C -0.018 175.503 175.510 0.018 0.000 1.226 255 N CA 0.374 53.437 53.050 0.021 0.000 0.906 255 N CB 0.395 38.903 38.487 0.034 0.000 1.060 255 N HN 0.635 nan 8.380 nan 0.000 0.468 256 L N 2.344 123.575 121.223 0.014 0.000 2.910 256 L HA 0.137 4.477 4.340 -0.001 0.000 0.252 256 L C 2.120 178.996 176.870 0.011 0.000 1.195 256 L CA 0.007 54.853 54.840 0.010 0.000 1.003 256 L CB -0.844 41.219 42.059 0.006 0.000 1.328 256 L HN 0.647 nan 8.230 nan 0.000 0.540 257 N N 0.703 119.412 118.700 0.015 0.000 2.223 257 N HA -0.097 4.643 4.740 -0.001 0.000 0.185 257 N C 0.938 176.456 175.510 0.013 0.000 1.016 257 N CA 1.384 54.442 53.050 0.014 0.000 0.863 257 N CB 0.074 38.572 38.487 0.017 0.000 0.983 257 N HN 0.485 nan 8.380 nan 0.000 0.429 258 S N -2.799 112.910 115.700 0.016 0.000 2.596 258 S HA 0.453 4.923 4.470 -0.001 0.000 0.270 258 S C -0.580 174.028 174.600 0.013 0.000 1.155 258 S CA -0.300 57.908 58.200 0.013 0.000 0.827 258 S CB 1.385 64.594 63.200 0.014 0.000 1.130 258 S HN 0.059 nan 8.310 nan 0.000 0.467 259 D N 1.207 121.611 120.400 0.006 0.000 2.116 259 D HA -0.085 4.554 4.640 -0.001 0.000 0.193 259 D C 1.580 177.891 176.300 0.019 0.000 0.998 259 D CA 2.029 56.030 54.000 0.002 0.000 0.836 259 D CB -0.318 40.478 40.800 -0.006 0.000 0.951 259 D HN 0.709 nan 8.370 nan 0.000 0.449 260 E N 0.959 121.175 120.200 0.027 0.000 2.070 260 E HA -0.167 4.183 4.350 -0.001 0.000 0.197 260 E C 2.051 178.701 176.600 0.084 0.000 1.004 260 E CA 1.013 57.440 56.400 0.046 0.000 0.805 260 E CB -0.244 29.471 29.700 0.026 0.000 0.744 260 E HN 0.419 nan 8.360 nan 0.000 0.451 261 E N 0.118 120.360 120.200 0.071 0.000 2.047 261 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 261 E C 2.184 178.839 176.600 0.091 0.000 0.987 261 E CA 0.697 57.157 56.400 0.101 0.000 0.799 261 E CB -0.310 29.431 29.700 0.068 0.000 0.752 261 E HN 0.153 nan 8.360 nan 0.000 0.449 262 L N 1.524 122.776 121.223 0.048 0.000 1.989 262 L HA -0.187 4.153 4.340 -0.001 0.000 0.211 262 L C 2.249 179.134 176.870 0.025 0.000 1.071 262 L CA 1.622 56.473 54.840 0.018 0.000 0.749 262 L CB -0.627 41.426 42.059 -0.010 0.000 0.890 262 L HN 0.040 nan 8.230 nan 0.000 0.431 263 I N -0.975 119.620 120.570 0.042 0.000 2.226 263 I HA -0.340 3.830 4.170 -0.001 0.000 0.245 263 I C 2.613 178.841 176.117 0.185 0.000 1.100 263 I CA 1.649 63.005 61.300 0.094 0.000 1.374 263 I CB -0.679 37.384 38.000 0.105 0.000 1.057 263 I HN 0.491 nan 8.210 nan 0.000 0.413 264 H N 0.160 119.272 119.070 0.071 0.000 2.352 264 H HA -0.284 4.271 4.556 -0.001 0.000 0.299 264 H C 2.495 177.864 175.328 0.067 0.000 1.097 264 H CA 2.052 58.139 56.048 0.066 0.000 1.311 264 H CB 0.051 29.838 29.762 0.042 0.000 1.377 264 H HN 0.537 nan 8.280 nan 0.000 0.504 265 c N 0.972 119.506 118.600 -0.110 0.000 2.432 265 c HA -0.096 4.474 4.570 -0.001 0.000 0.277 265 c C 2.903 176.951 174.090 -0.070 0.000 1.249 265 c CA 0.793 57.027 56.329 -0.159 0.000 1.725 265 c CB -1.356 41.121 42.510 -0.056 0.000 2.028 265 c HN 0.596 nan 8.230 nan 0.000 0.477 266 L N 0.342 121.586 121.223 0.035 0.000 2.265 266 L HA -0.090 4.249 4.340 -0.001 0.000 0.215 266 L C 2.868 179.834 176.870 0.160 0.000 1.117 266 L CA 1.353 56.273 54.840 0.133 0.000 0.782 266 L CB -0.669 41.517 42.059 0.212 0.000 0.914 266 L HN 0.414 nan 8.230 nan 0.000 0.441 267 R N -0.678 119.888 120.500 0.110 0.000 2.200 267 R HA -0.052 4.287 4.340 -0.001 0.000 0.208 267 R C 1.879 178.166 176.300 -0.021 0.000 1.033 267 R CA 0.306 56.416 56.100 0.017 0.000 1.000 267 R CB 0.057 30.389 30.300 0.054 0.000 0.906 267 R HN 0.199 nan 8.270 nan 0.000 0.462 268 E N 0.965 121.121 120.200 -0.074 0.000 2.158 268 E HA 0.002 4.352 4.350 -0.001 0.000 0.191 268 E C 0.195 176.780 176.600 -0.025 0.000 0.982 268 E CA 0.788 57.143 56.400 -0.075 0.000 0.823 268 E CB 0.130 29.735 29.700 -0.160 0.000 0.766 268 E HN -0.013 nan 8.360 nan 0.000 0.468 269 K N 1.731 122.126 120.400 -0.008 0.000 2.469 269 K HA 0.044 4.363 4.320 -0.001 0.000 0.274 269 K C 0.451 177.081 176.600 0.050 0.000 0.983 269 K CA 0.203 56.505 56.287 0.024 0.000 0.974 269 K CB 0.341 32.862 32.500 0.035 0.000 0.913 269 K HN -0.033 nan 8.250 nan 0.000 0.493 270 K N 2.848 123.284 120.400 0.060 0.000 2.202 270 K HA 0.064 4.383 4.320 -0.001 0.000 0.264 270 K C -1.513 175.172 176.600 0.140 0.000 1.010 270 K CA -1.649 54.684 56.287 0.077 0.000 0.940 270 K CB 0.244 32.779 32.500 0.059 0.000 0.983 270 K HN 0.204 nan 8.250 nan 0.000 0.475 271 P HA -0.258 nan 4.420 nan 0.000 0.215 271 P C 1.254 178.750 177.300 0.325 0.000 1.163 271 P CA 1.487 64.792 63.100 0.341 0.000 0.894 271 P CB 0.259 32.006 31.700 0.077 0.000 0.791 272 Q N 0.289 120.201 119.800 0.187 0.000 2.226 272 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 272 Q C 2.001 178.101 176.000 0.167 0.000 0.975 272 Q CA 1.625 57.532 55.803 0.174 0.000 0.866 272 Q CB -0.741 28.068 28.738 0.119 0.000 0.915 272 Q HN 0.370 nan 8.270 nan 0.000 0.440 273 E N -0.279 120.004 120.200 0.138 0.000 2.110 273 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 273 E C 1.887 178.552 176.600 0.110 0.000 0.988 273 E CA 1.217 57.682 56.400 0.109 0.000 0.804 273 E CB -0.188 29.560 29.700 0.080 0.000 0.745 273 E HN 0.405 nan 8.360 nan 0.000 0.458 274 L N 0.546 121.836 121.223 0.113 0.000 2.109 274 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 274 L C 2.526 179.459 176.870 0.105 0.000 1.086 274 L CA 0.933 55.797 54.840 0.041 0.000 0.760 274 L CB -0.486 41.488 42.059 -0.141 0.000 0.910 274 L HN 0.145 nan 8.230 nan 0.000 0.437 275 I N 0.079 120.774 120.570 0.209 0.000 2.315 275 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 275 I C 2.139 178.422 176.117 0.277 0.000 1.117 275 I CA 1.022 62.489 61.300 0.278 0.000 1.404 275 I CB -0.352 37.863 38.000 0.358 0.000 1.071 275 I HN 0.228 nan 8.210 nan 0.000 0.419 276 D N 0.585 121.124 120.400 0.231 0.000 2.149 276 D HA -0.140 4.500 4.640 -0.001 0.000 0.198 276 D C 1.930 178.352 176.300 0.203 0.000 0.990 276 D CA 1.683 55.814 54.000 0.218 0.000 0.839 276 D CB -0.081 40.813 40.800 0.156 0.000 0.948 276 D HN 0.376 nan 8.370 nan 0.000 0.460 277 V N -1.848 118.163 119.914 0.162 0.000 3.483 277 V HA 0.191 4.311 4.120 -0.001 0.000 0.301 277 V C 1.758 177.934 176.094 0.136 0.000 1.389 277 V CA 0.039 62.423 62.300 0.140 0.000 1.101 277 V CB 0.190 32.073 31.823 0.101 0.000 0.971 277 V HN -0.029 nan 8.190 nan 0.000 0.434 278 E N 0.930 121.206 120.200 0.127 0.000 2.058 278 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 278 E C 1.531 178.058 176.600 -0.121 0.000 0.997 278 E CA 2.413 58.836 56.400 0.038 0.000 0.801 278 E CB -0.190 29.462 29.700 -0.080 0.000 0.746 278 E HN 0.802 nan 8.360 nan 0.000 0.450 279 W N 0.918 122.207 121.300 -0.019 0.000 2.825 279 W HA 0.037 4.697 4.660 -0.001 0.000 0.243 279 W C 1.445 177.927 176.519 -0.061 0.000 1.293 279 W CA -0.055 57.237 57.345 -0.088 0.000 1.403 279 W CB 0.037 29.401 29.460 -0.160 0.000 1.134 279 W HN 0.092 nan 8.180 nan 0.000 0.666 280 N N 0.166 118.951 118.700 0.142 0.000 2.521 280 N HA -0.075 4.665 4.740 -0.001 0.000 0.188 280 N C 1.649 177.172 175.510 0.021 0.000 1.146 280 N CA 1.198 54.297 53.050 0.082 0.000 0.893 280 N CB -0.286 38.246 38.487 0.075 0.000 0.975 280 N HN 0.272 nan 8.380 nan 0.000 0.451 281 V N -2.340 117.558 119.914 -0.027 0.000 3.621 281 V HA 0.275 4.394 4.120 -0.001 0.000 0.285 281 V C 0.714 176.721 176.094 -0.145 0.000 1.346 281 V CA -0.189 62.058 62.300 -0.089 0.000 1.104 281 V CB -0.588 31.165 31.823 -0.115 0.000 0.913 281 V HN -0.047 nan 8.190 nan 0.000 0.432 282 L N 2.186 123.341 121.223 -0.112 0.000 2.514 282 L HA 0.177 4.517 4.340 -0.001 0.000 0.280 282 L C -0.512 176.254 176.870 -0.173 0.000 1.223 282 L CA -0.691 54.072 54.840 -0.128 0.000 0.864 282 L CB 0.259 42.304 42.059 -0.024 0.000 1.118 282 L HN 0.166 nan 8.230 nan 0.000 0.494 283 P HA 0.025 nan 4.420 nan 0.000 0.235 283 P C -0.301 176.666 177.300 -0.555 0.000 1.177 283 P CA 0.925 63.712 63.100 -0.522 0.000 0.785 283 P CB 0.332 31.531 31.700 -0.834 0.000 0.885 284 F N -0.474 119.476 119.950 0.001 0.000 2.620 284 F HA 0.405 4.931 4.527 -0.001 0.000 0.320 284 F C 0.241 176.046 175.800 0.008 0.000 1.069 284 F CA -1.808 56.197 58.000 0.008 0.000 0.953 284 F CB 0.218 39.228 39.000 0.017 0.000 1.322 284 F HN -0.373 nan 8.300 nan 0.000 0.479 285 D N 1.157 121.701 120.400 0.241 0.000 2.325 285 D HA 0.478 5.118 4.640 -0.001 0.000 0.251 285 D C -0.722 175.646 176.300 0.113 0.000 1.196 285 D CA 0.389 54.462 54.000 0.122 0.000 0.866 285 D CB 0.470 41.318 40.800 0.079 0.000 1.101 285 D HN 0.640 nan 8.370 nan 0.000 0.476 286 S N 2.405 118.158 115.700 0.089 0.000 2.636 286 S HA 0.643 5.112 4.470 -0.001 0.000 0.268 286 S C -0.496 174.127 174.600 0.038 0.000 1.159 286 S CA -1.033 57.208 58.200 0.068 0.000 0.815 286 S CB 0.291 63.567 63.200 0.126 0.000 1.130 286 S HN 0.487 nan 8.310 nan 0.000 0.471 287 I N -2.807 117.781 120.570 0.031 0.000 2.797 287 I HA 0.840 5.009 4.170 -0.001 0.000 0.307 287 I C -0.292 175.835 176.117 0.017 0.000 1.033 287 I CA -1.127 60.192 61.300 0.032 0.000 1.071 287 I CB 0.990 39.026 38.000 0.060 0.000 1.255 287 I HN 0.763 nan 8.210 nan 0.000 0.445 288 F N 1.967 121.741 119.950 -0.294 0.000 3.039 288 F HA -0.171 4.356 4.527 -0.001 0.000 0.287 288 F C -0.398 174.899 175.800 -0.839 0.000 0.956 288 F CA 0.574 58.119 58.000 -0.759 0.000 0.971 288 F CB -0.652 37.880 39.000 -0.781 0.000 0.943 288 F HN 0.592 nan 8.300 nan 0.000 0.766 289 R N 0.612 120.699 120.500 -0.688 0.000 2.574 289 R HA 0.615 4.955 4.340 -0.001 0.000 0.288 289 R C -0.894 175.023 176.300 -0.638 0.000 1.004 289 R CA -0.562 55.245 56.100 -0.489 0.000 0.895 289 R CB 1.317 31.565 30.300 -0.087 0.000 1.191 289 R HN 0.010 nan 8.270 nan 0.000 0.444 290 F N -0.809 119.261 119.950 0.199 0.000 2.579 290 F HA 0.409 4.936 4.527 -0.001 0.000 0.324 290 F C 1.573 177.293 175.800 -0.134 0.000 1.058 290 F CA -0.792 57.239 58.000 0.052 0.000 0.944 290 F CB 1.606 40.754 39.000 0.246 0.000 1.245 290 F HN 0.333 nan 8.300 nan 0.000 0.477 291 S N 0.182 115.747 115.700 -0.225 0.000 2.335 291 S HA 0.039 4.508 4.470 -0.001 0.000 0.217 291 S C 0.052 174.221 174.600 -0.717 0.000 1.032 291 S CA 0.981 58.848 58.200 -0.556 0.000 0.985 291 S CB -0.196 62.524 63.200 -0.801 0.000 0.896 291 S HN 0.335 nan 8.310 nan 0.000 0.445 292 F N 2.262 122.226 119.950 0.023 0.000 2.308 292 F HA 0.521 5.047 4.527 -0.001 0.000 0.370 292 F C 0.075 175.907 175.800 0.054 0.000 1.100 292 F CA -0.960 57.090 58.000 0.083 0.000 1.108 292 F CB 0.876 39.967 39.000 0.151 0.000 1.293 292 F HN -0.074 nan 8.300 nan 0.000 0.478 293 V N 0.945 120.858 119.914 -0.002 0.000 3.126 293 V HA 0.751 4.871 4.120 -0.001 0.000 0.314 293 V C -2.847 173.018 176.094 -0.382 0.000 1.138 293 V CA -3.435 58.594 62.300 -0.452 0.000 1.034 293 V CB 1.911 33.585 31.823 -0.248 0.000 1.075 293 V HN 0.255 nan 8.190 nan 0.000 0.442 294 P HA 0.198 nan 4.420 nan 0.000 0.264 294 P C -0.466 176.741 177.300 -0.155 0.000 1.183 294 P CA 0.340 63.269 63.100 -0.284 0.000 0.763 294 P CB 0.371 31.814 31.700 -0.427 0.000 0.807 295 V N 1.615 121.522 119.914 -0.011 0.000 2.547 295 V HA 0.397 4.516 4.120 -0.001 0.000 0.299 295 V C 0.236 176.342 176.094 0.020 0.000 1.040 295 V CA -0.832 61.447 62.300 -0.034 0.000 0.913 295 V CB 1.536 33.355 31.823 -0.008 0.000 0.992 295 V HN 0.213 nan 8.190 nan 0.000 0.449 296 I N 5.012 125.531 120.570 -0.084 0.000 2.352 296 I HA 0.140 4.309 4.170 -0.001 0.000 0.303 296 I C 1.065 177.177 176.117 -0.008 0.000 1.194 296 I CA 0.046 61.318 61.300 -0.047 0.000 1.518 296 I CB -0.629 37.279 38.000 -0.153 0.000 1.489 296 I HN 0.934 nan 8.210 nan 0.000 0.702 297 D N 2.555 123.005 120.400 0.084 0.000 2.348 297 D HA 0.030 4.670 4.640 -0.001 0.000 0.211 297 D C 1.492 177.792 176.300 0.001 0.000 0.998 297 D CA 0.870 54.821 54.000 -0.082 0.000 0.873 297 D CB 0.365 41.216 40.800 0.085 0.000 0.925 297 D HN 0.587 nan 8.370 nan 0.000 0.524 298 G N -0.645 108.221 108.800 0.110 0.000 2.195 298 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.246 298 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.246 298 G C 0.978 175.956 174.900 0.131 0.000 0.984 298 G CA 0.569 45.737 45.100 0.112 0.000 0.633 298 G HN 0.385 nan 8.290 nan 0.000 0.525 299 E N -1.010 119.285 120.200 0.158 0.000 2.225 299 E HA 0.441 4.790 4.350 -0.001 0.000 0.202 299 E C 1.764 178.407 176.600 0.072 0.000 0.987 299 E CA 0.411 56.884 56.400 0.122 0.000 1.010 299 E CB -0.678 29.113 29.700 0.153 0.000 1.464 299 E HN 0.491 nan 8.360 nan 0.000 0.508 300 F N 0.728 120.636 119.950 -0.071 0.000 2.120 300 F HA 0.022 4.549 4.527 -0.001 0.000 0.300 300 F C 0.356 175.899 175.800 -0.428 0.000 1.095 300 F CA 1.213 59.045 58.000 -0.279 0.000 1.249 300 F CB 0.064 38.845 39.000 -0.365 0.000 0.995 300 F HN 0.070 nan 8.300 nan 0.000 0.480 301 F N 1.222 121.338 119.950 0.276 0.000 2.382 301 F HA 0.342 4.868 4.527 -0.001 0.000 0.361 301 F C -1.488 174.361 175.800 0.082 0.000 1.109 301 F CA -2.708 55.391 58.000 0.166 0.000 1.031 301 F CB 0.655 39.746 39.000 0.152 0.000 1.234 301 F HN -0.248 nan 8.300 nan 0.000 0.445 302 P HA -0.088 nan 4.420 nan 0.000 0.214 302 P C 0.536 177.902 177.300 0.109 0.000 1.163 302 P CA 1.610 64.775 63.100 0.109 0.000 0.883 302 P CB 0.147 31.883 31.700 0.061 0.000 0.788 303 T N -4.488 110.136 114.554 0.117 0.000 2.645 303 T HA 0.450 4.800 4.350 -0.001 0.000 0.273 303 T C -0.084 174.660 174.700 0.074 0.000 0.960 303 T CA -0.545 61.602 62.100 0.078 0.000 1.051 303 T CB 0.712 69.612 68.868 0.053 0.000 1.366 303 T HN 0.106 nan 8.240 nan 0.000 0.536 304 S N 0.142 115.861 115.700 0.032 0.000 2.563 304 S HA 0.110 4.579 4.470 -0.001 0.000 0.284 304 S C 1.500 176.109 174.600 0.014 0.000 1.331 304 S CA -0.663 57.535 58.200 -0.003 0.000 1.047 304 S CB -0.457 62.738 63.200 -0.008 0.000 0.859 304 S HN 0.649 nan 8.310 nan 0.000 0.514 305 L N 0.757 121.954 121.223 -0.044 0.000 2.079 305 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 305 L C 2.878 179.789 176.870 0.069 0.000 1.081 305 L CA 1.927 56.766 54.840 -0.001 0.000 0.752 305 L CB -0.779 41.224 42.059 -0.093 0.000 0.896 305 L HN 0.809 nan 8.230 nan 0.000 0.433 306 E N 0.651 120.883 120.200 0.055 0.000 2.106 306 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 306 E C 2.280 178.941 176.600 0.100 0.000 0.984 306 E CA 1.560 58.022 56.400 0.104 0.000 0.806 306 E CB -0.047 29.710 29.700 0.094 0.000 0.750 306 E HN 0.456 nan 8.360 nan 0.000 0.458 307 S N -0.431 115.313 115.700 0.073 0.000 2.387 307 S HA -0.147 4.323 4.470 -0.001 0.000 0.226 307 S C 2.104 176.752 174.600 0.081 0.000 1.026 307 S CA 1.161 59.401 58.200 0.067 0.000 0.972 307 S CB -0.370 62.856 63.200 0.044 0.000 0.814 307 S HN 0.282 nan 8.310 nan 0.000 0.477 308 M N 0.946 120.609 119.600 0.105 0.000 2.117 308 M HA 0.021 4.501 4.480 -0.001 0.000 0.262 308 M C 2.204 178.642 176.300 0.230 0.000 1.065 308 M CA 1.442 56.829 55.300 0.144 0.000 1.114 308 M CB -0.648 32.071 32.600 0.199 0.000 1.361 308 M HN 0.313 nan 8.290 nan 0.000 0.408 309 L N -0.135 121.225 121.223 0.229 0.000 2.141 309 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 309 L C 2.098 179.129 176.870 0.269 0.000 1.094 309 L CA 0.772 55.771 54.840 0.265 0.000 0.763 309 L CB -0.674 41.449 42.059 0.106 0.000 0.908 309 L HN 0.351 nan 8.230 nan 0.000 0.437 310 N N -0.374 118.430 118.700 0.175 0.000 2.216 310 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 310 N C 1.925 177.530 175.510 0.159 0.000 1.017 310 N CA 1.570 54.722 53.050 0.171 0.000 0.861 310 N CB -0.100 38.458 38.487 0.118 0.000 0.986 310 N HN 0.292 nan 8.380 nan 0.000 0.428 311 S N -1.100 114.618 115.700 0.029 0.000 2.593 311 S HA 0.258 4.727 4.470 -0.001 0.000 0.217 311 S C 1.380 175.663 174.600 -0.529 0.000 0.966 311 S CA 0.451 58.577 58.200 -0.123 0.000 0.914 311 S CB 0.127 63.272 63.200 -0.093 0.000 0.776 311 S HN 0.392 nan 8.310 nan 0.000 0.523 312 G N 2.023 110.347 108.800 -0.793 0.000 2.162 312 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.260 312 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.260 312 G C 0.139 174.269 174.900 -1.284 0.000 0.976 312 G CA 0.096 44.102 45.100 -1.824 0.000 0.655 312 G HN 0.608 nan 8.290 nan 0.000 0.533 313 N N 0.819 119.186 118.700 -0.556 0.000 2.814 313 N HA 0.432 5.171 4.740 -0.001 0.000 0.304 313 N C -0.132 175.345 175.510 -0.055 0.000 1.211 313 N CA 0.457 53.338 53.050 -0.282 0.000 1.158 313 N CB -1.184 37.250 38.487 -0.088 0.000 1.458 313 N HN 0.782 nan 8.380 nan 0.000 0.519 314 F N -1.203 118.696 119.950 -0.085 0.000 2.770 314 F HA 0.372 4.899 4.527 -0.001 0.000 0.313 314 F C -0.433 175.383 175.800 0.027 0.000 1.154 314 F CA -1.522 56.497 58.000 0.032 0.000 0.923 314 F CB 0.549 39.635 39.000 0.144 0.000 1.301 314 F HN -0.104 nan 8.300 nan 0.000 0.449 315 K N 2.022 122.653 120.400 0.384 0.000 2.416 315 K HA 0.242 4.562 4.320 -0.001 0.000 0.283 315 K C -1.054 175.778 176.600 0.385 0.000 1.037 315 K CA -0.239 56.192 56.287 0.241 0.000 0.995 315 K CB 0.527 33.119 32.500 0.153 0.000 0.938 315 K HN 0.670 nan 8.250 nan 0.000 0.475 316 K N 2.875 123.372 120.400 0.162 0.000 2.248 316 K HA 0.209 4.528 4.320 -0.001 0.000 0.281 316 K C -0.219 176.500 176.600 0.199 0.000 1.054 316 K CA -0.191 56.196 56.287 0.166 0.000 0.903 316 K CB 1.825 34.332 32.500 0.011 0.000 1.077 316 K HN 0.749 nan 8.250 nan 0.000 0.474 317 T N 1.350 116.107 114.554 0.338 0.000 2.647 317 T HA 0.289 4.638 4.350 -0.001 0.000 0.302 317 T C -1.517 173.383 174.700 0.335 0.000 1.389 317 T CA -0.727 61.525 62.100 0.253 0.000 1.037 317 T CB 0.572 69.558 68.868 0.197 0.000 1.755 317 T HN 0.385 nan 8.240 nan 0.000 0.467 318 Q N 1.235 121.195 119.800 0.266 0.000 2.230 318 Q HA 0.755 5.095 4.340 -0.001 0.000 0.253 318 Q C -0.415 175.878 176.000 0.487 0.000 0.919 318 Q CA -0.499 55.515 55.803 0.352 0.000 0.908 318 Q CB 1.366 30.258 28.738 0.256 0.000 1.245 318 Q HN 0.678 nan 8.270 nan 0.000 0.437 319 I N -1.132 119.692 120.570 0.423 0.000 2.686 319 I HA 0.645 4.814 4.170 -0.001 0.000 0.295 319 I C -1.409 174.654 176.117 -0.090 0.000 1.114 319 I CA -1.327 60.081 61.300 0.180 0.000 1.038 319 I CB 1.797 39.733 38.000 -0.108 0.000 1.238 319 I HN 0.527 nan 8.210 nan 0.000 0.420 320 L N 7.241 128.163 121.223 -0.501 0.000 2.349 320 L HA 0.731 5.070 4.340 -0.001 0.000 0.278 320 L C -1.617 175.060 176.870 -0.321 0.000 0.996 320 L CA -0.614 53.794 54.840 -0.722 0.000 0.825 320 L CB 1.564 42.594 42.059 -1.714 0.000 1.243 320 L HN 0.723 nan 8.230 nan 0.000 0.412 321 L N 3.501 124.657 121.223 -0.111 0.000 2.568 321 L HA 1.115 5.455 4.340 -0.001 0.000 0.257 321 L C -0.377 176.306 176.870 -0.313 0.000 1.024 321 L CA -0.515 54.273 54.840 -0.086 0.000 0.854 321 L CB 1.149 43.148 42.059 -0.100 0.000 1.460 321 L HN 0.579 nan 8.230 nan 0.000 0.409 322 G N -0.755 107.686 108.800 -0.599 0.000 2.430 322 G HA2 0.706 4.665 3.960 -0.001 0.000 0.300 322 G HA3 0.706 4.665 3.960 -0.001 0.000 0.300 322 G C -1.682 172.913 174.900 -0.507 0.000 1.330 322 G CA -0.007 44.435 45.100 -1.097 0.000 0.813 322 G HN 1.604 nan 8.290 nan 0.000 0.487 323 V N -2.246 117.500 119.914 -0.279 0.000 3.102 323 V HA 0.829 4.948 4.120 -0.001 0.000 0.312 323 V C -0.853 175.318 176.094 0.128 0.000 1.135 323 V CA -1.493 60.839 62.300 0.052 0.000 1.022 323 V CB 1.946 33.836 31.823 0.110 0.000 1.056 323 V HN 0.627 nan 8.190 nan 0.000 0.436 324 N N 1.138 119.933 118.700 0.158 0.000 2.508 324 N HA 0.389 5.129 4.740 -0.001 0.000 0.285 324 N C 0.629 176.080 175.510 -0.098 0.000 1.144 324 N CA -0.410 52.703 53.050 0.105 0.000 0.978 324 N CB 1.692 40.337 38.487 0.265 0.000 1.180 324 N HN 0.955 nan 8.380 nan 0.000 0.484 325 K N 0.249 120.461 120.400 -0.313 0.000 2.063 325 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 325 K C -0.543 176.127 176.600 0.116 0.000 1.048 325 K CA 1.413 57.603 56.287 -0.162 0.000 0.928 325 K CB 0.216 32.653 32.500 -0.106 0.000 0.713 325 K HN 0.511 nan 8.250 nan 0.000 0.442 326 D N 1.111 121.578 120.400 0.111 0.000 2.634 326 D HA 0.036 4.675 4.640 -0.001 0.000 0.318 326 D C 0.007 176.410 176.300 0.172 0.000 1.226 326 D CA -0.118 53.970 54.000 0.146 0.000 0.899 326 D CB 1.288 42.154 40.800 0.110 0.000 1.025 326 D HN 0.190 nan 8.370 nan 0.000 0.501 327 E N 0.575 120.902 120.200 0.213 0.000 2.153 327 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 327 E C 1.989 178.758 176.600 0.282 0.000 0.988 327 E CA 0.598 57.160 56.400 0.270 0.000 0.811 327 E CB 0.150 30.008 29.700 0.265 0.000 0.746 327 E HN 0.450 nan 8.360 nan 0.000 0.466 328 G N 1.289 110.235 108.800 0.243 0.000 2.464 328 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 328 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 328 G C 1.681 176.718 174.900 0.228 0.000 1.138 328 G CA 0.968 46.233 45.100 0.275 0.000 0.793 328 G HN 0.378 nan 8.290 nan 0.000 0.539 329 S N 0.874 116.664 115.700 0.150 0.000 2.378 329 S HA -0.299 4.170 4.470 -0.001 0.000 0.229 329 S C 2.136 176.703 174.600 -0.056 0.000 1.052 329 S CA 1.801 60.044 58.200 0.071 0.000 1.084 329 S CB -0.746 62.444 63.200 -0.018 0.000 0.950 329 S HN 0.367 nan 8.310 nan 0.000 0.440 330 F N 1.564 121.324 119.950 -0.318 0.000 2.120 330 F HA -0.060 4.466 4.527 -0.001 0.000 0.300 330 F C 1.751 177.211 175.800 -0.568 0.000 1.095 330 F CA 1.820 59.480 58.000 -0.568 0.000 1.249 330 F CB -0.499 38.005 39.000 -0.826 0.000 0.995 330 F HN 0.260 nan 8.300 nan 0.000 0.480 331 F N -0.182 119.695 119.950 -0.121 0.000 2.259 331 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 331 F C 2.141 177.824 175.800 -0.194 0.000 1.088 331 F CA 0.869 58.744 58.000 -0.209 0.000 1.358 331 F CB -0.828 38.018 39.000 -0.257 0.000 1.040 331 F HN -0.073 nan 8.300 nan 0.000 0.505 332 L N -0.634 120.508 121.223 -0.135 0.000 2.017 332 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 332 L C 2.493 179.127 176.870 -0.393 0.000 1.073 332 L CA 0.780 55.328 54.840 -0.486 0.000 0.745 332 L CB -0.737 40.674 42.059 -1.081 0.000 0.894 332 L HN 0.160 nan 8.230 nan 0.000 0.432 333 L N -0.877 120.254 121.223 -0.154 0.000 2.021 333 L HA -0.289 4.051 4.340 -0.001 0.000 0.215 333 L C 2.268 179.156 176.870 0.030 0.000 1.074 333 L CA 2.087 57.002 54.840 0.125 0.000 0.760 333 L CB -0.669 41.461 42.059 0.118 0.000 0.889 333 L HN 0.145 nan 8.230 nan 0.000 0.433 334 Y N -1.137 119.027 120.300 -0.227 0.000 2.475 334 Y HA 0.235 4.784 4.550 -0.001 0.000 0.289 334 Y C 2.207 178.020 175.900 -0.145 0.000 1.121 334 Y CA 0.818 58.796 58.100 -0.205 0.000 1.257 334 Y CB -0.035 38.213 38.460 -0.354 0.000 1.026 334 Y HN 0.277 nan 8.280 nan 0.000 0.555 335 G N -1.605 107.210 108.800 0.026 0.000 3.581 335 G HA2 0.450 4.410 3.960 -0.001 0.000 0.248 335 G HA3 0.450 4.410 3.960 -0.001 0.000 0.248 335 G C -0.082 174.835 174.900 0.028 0.000 1.037 335 G CA 0.351 45.455 45.100 0.007 0.000 0.902 335 G HN 0.246 nan 8.290 nan 0.000 0.512 336 A N 1.548 124.399 122.820 0.053 0.000 2.312 336 A HA 0.807 5.127 4.320 -0.001 0.000 0.326 336 A C -2.508 175.236 177.584 0.265 0.000 1.172 336 A CA -1.557 50.571 52.037 0.150 0.000 0.821 336 A CB 1.193 20.297 19.000 0.173 0.000 1.166 336 A HN 0.063 nan 8.150 nan 0.000 0.493 337 P HA 0.320 nan 4.420 nan 0.000 0.276 337 P C 0.768 178.093 177.300 0.042 0.000 1.230 337 P CA 1.248 64.405 63.100 0.095 0.000 0.776 337 P CB 1.225 32.950 31.700 0.041 0.000 0.888 338 G N 1.852 110.625 108.800 -0.046 0.000 2.213 338 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.226 338 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.226 338 G C -0.292 174.372 174.900 -0.393 0.000 0.992 338 G CA -0.515 44.441 45.100 -0.240 0.000 0.632 338 G HN 0.427 nan 8.290 nan 0.000 0.511 339 F N 2.275 122.153 119.950 -0.120 0.000 2.421 339 F HA 0.686 5.213 4.527 -0.001 0.000 0.337 339 F C 0.785 176.565 175.800 -0.033 0.000 1.105 339 F CA 0.002 57.899 58.000 -0.171 0.000 1.049 339 F CB 2.205 41.151 39.000 -0.090 0.000 1.139 339 F HN 0.346 nan 8.300 nan 0.000 0.479 340 S N 1.425 117.229 115.700 0.175 0.000 2.556 340 S HA 0.358 4.828 4.470 -0.001 0.000 0.271 340 S C 0.265 175.052 174.600 0.311 0.000 1.135 340 S CA -1.147 57.172 58.200 0.200 0.000 0.858 340 S CB 2.079 65.326 63.200 0.079 0.000 1.114 340 S HN 0.695 nan 8.310 nan 0.000 0.468 341 K N 0.253 120.794 120.400 0.235 0.000 2.057 341 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 341 K C 0.208 176.880 176.600 0.119 0.000 1.049 341 K CA 1.914 58.272 56.287 0.117 0.000 0.931 341 K CB -0.212 32.068 32.500 -0.367 0.000 0.714 341 K HN 0.650 nan 8.250 nan 0.000 0.440 342 D N 0.238 120.668 120.400 0.050 0.000 2.339 342 D HA -0.002 4.637 4.640 -0.001 0.000 0.217 342 D C 0.400 176.738 176.300 0.064 0.000 1.050 342 D CA 0.203 54.217 54.000 0.023 0.000 0.856 342 D CB 0.542 41.322 40.800 -0.033 0.000 0.922 342 D HN 0.219 nan 8.370 nan 0.000 0.518 343 S N -0.887 114.867 115.700 0.090 0.000 2.766 343 S HA 0.357 4.827 4.470 -0.001 0.000 0.307 343 S C 0.859 175.481 174.600 0.036 0.000 1.121 343 S CA -0.724 57.492 58.200 0.027 0.000 0.980 343 S CB 2.068 65.239 63.200 -0.049 0.000 1.159 343 S HN -0.146 nan 8.310 nan 0.000 0.546 344 E N 0.172 120.336 120.200 -0.060 0.000 2.481 344 E HA 0.146 4.496 4.350 -0.001 0.000 0.195 344 E C -0.454 175.870 176.600 -0.460 0.000 1.047 344 E CA 0.113 56.453 56.400 -0.100 0.000 0.867 344 E CB -0.061 29.617 29.700 -0.038 0.000 0.858 344 E HN 0.653 nan 8.360 nan 0.000 0.513 345 S N 1.230 116.619 115.700 -0.519 0.000 3.631 345 S HA -0.172 4.297 4.470 -0.001 0.000 0.366 345 S C -0.295 173.930 174.600 -0.625 0.000 0.993 345 S CA 0.635 58.394 58.200 -0.736 0.000 1.167 345 S CB -1.118 61.277 63.200 -1.341 0.000 0.909 345 S HN 0.275 nan 8.310 nan 0.000 0.478 346 K N 0.884 121.057 120.400 -0.379 0.000 2.412 346 K HA 0.278 4.597 4.320 -0.001 0.000 0.281 346 K C 0.334 176.741 176.600 -0.323 0.000 1.027 346 K CA 0.101 56.222 56.287 -0.278 0.000 0.989 346 K CB 0.410 32.806 32.500 -0.173 0.000 0.935 346 K HN 0.241 nan 8.250 nan 0.000 0.475 347 I N 2.345 122.742 120.570 -0.287 0.000 2.404 347 I HA 0.074 4.243 4.170 -0.001 0.000 0.293 347 I C 0.801 176.834 176.117 -0.140 0.000 0.992 347 I CA -0.377 60.759 61.300 -0.272 0.000 1.149 347 I CB 1.542 39.360 38.000 -0.304 0.000 1.315 347 I HN 0.704 nan 8.210 nan 0.000 0.446 348 S N 5.961 121.595 115.700 -0.111 0.000 2.614 348 S HA 0.241 4.710 4.470 -0.001 0.000 0.265 348 S C 1.109 175.703 174.600 -0.011 0.000 1.303 348 S CA -0.267 57.895 58.200 -0.065 0.000 1.000 348 S CB 1.410 64.578 63.200 -0.054 0.000 0.935 348 S HN 0.682 nan 8.310 nan 0.000 0.551 349 R N 0.466 120.954 120.500 -0.020 0.000 2.148 349 R HA -0.014 4.325 4.340 -0.001 0.000 0.227 349 R C 2.184 178.545 176.300 0.100 0.000 1.103 349 R CA 1.749 57.856 56.100 0.012 0.000 0.983 349 R CB -0.413 29.869 30.300 -0.030 0.000 0.874 349 R HN 0.917 nan 8.270 nan 0.000 0.451 350 E N -0.128 120.105 120.200 0.056 0.000 2.046 350 E HA -0.156 4.193 4.350 -0.001 0.000 0.190 350 E C 1.054 177.693 176.600 0.065 0.000 0.982 350 E CA 1.552 57.986 56.400 0.057 0.000 0.800 350 E CB 0.037 29.752 29.700 0.025 0.000 0.756 350 E HN 0.272 nan 8.360 nan 0.000 0.449 351 D N -0.319 120.109 120.400 0.046 0.000 2.178 351 D HA -0.133 4.507 4.640 -0.001 0.000 0.202 351 D C 1.552 177.903 176.300 0.085 0.000 0.974 351 D CA 0.567 54.586 54.000 0.032 0.000 0.841 351 D CB -0.235 40.540 40.800 -0.041 0.000 0.953 351 D HN 0.211 nan 8.370 nan 0.000 0.478 352 F N 1.039 120.972 119.950 -0.027 0.000 2.075 352 F HA -0.177 4.350 4.527 -0.001 0.000 0.297 352 F C 2.331 178.142 175.800 0.019 0.000 1.113 352 F CA 1.392 59.391 58.000 -0.002 0.000 1.218 352 F CB -0.228 38.752 39.000 -0.033 0.000 0.984 352 F HN -0.173 nan 8.300 nan 0.000 0.472 353 M N 0.170 119.892 119.600 0.203 0.000 2.149 353 M HA -0.219 4.261 4.480 -0.001 0.000 0.261 353 M C 2.375 178.663 176.300 -0.020 0.000 1.064 353 M CA 2.082 57.439 55.300 0.095 0.000 1.102 353 M CB -0.611 32.082 32.600 0.154 0.000 1.369 353 M HN 0.415 nan 8.290 nan 0.000 0.408 354 S N -0.322 115.378 115.700 0.001 0.000 2.436 354 S HA 0.008 4.478 4.470 -0.001 0.000 0.228 354 S C 1.980 176.556 174.600 -0.041 0.000 1.014 354 S CA 0.800 58.992 58.200 -0.012 0.000 0.950 354 S CB -0.967 62.239 63.200 0.011 0.000 0.784 354 S HN 0.511 nan 8.310 nan 0.000 0.504 355 G N 2.211 110.972 108.800 -0.065 0.000 2.433 355 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.216 355 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.216 355 G C 1.645 176.442 174.900 -0.171 0.000 1.186 355 G CA 1.253 46.308 45.100 -0.076 0.000 0.779 355 G HN 0.890 nan 8.290 nan 0.000 0.543 356 V N 0.283 120.009 119.914 -0.314 0.000 2.407 356 V HA -0.070 4.050 4.120 -0.001 0.000 0.248 356 V C 2.509 178.511 176.094 -0.154 0.000 1.055 356 V CA 2.750 64.887 62.300 -0.272 0.000 1.049 356 V CB -0.553 31.080 31.823 -0.317 0.000 0.662 356 V HN 0.318 nan 8.190 nan 0.000 0.455 357 K N 0.656 120.983 120.400 -0.121 0.000 2.097 357 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 357 K C 1.948 178.491 176.600 -0.095 0.000 1.049 357 K CA 2.113 58.340 56.287 -0.100 0.000 0.933 357 K CB -0.657 31.804 32.500 -0.065 0.000 0.717 357 K HN 0.620 nan 8.250 nan 0.000 0.442 358 L N -0.007 121.176 121.223 -0.067 0.000 2.156 358 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 358 L C 2.187 179.033 176.870 -0.040 0.000 1.095 358 L CA 0.996 55.814 54.840 -0.037 0.000 0.770 358 L CB -0.293 41.759 42.059 -0.012 0.000 0.914 358 L HN 0.152 nan 8.230 nan 0.000 0.439 359 S N -0.670 114.988 115.700 -0.071 0.000 2.387 359 S HA -0.018 4.451 4.470 -0.001 0.000 0.226 359 S C 1.041 175.562 174.600 -0.132 0.000 1.026 359 S CA 0.610 58.765 58.200 -0.074 0.000 0.972 359 S CB 0.229 63.367 63.200 -0.102 0.000 0.814 359 S HN 0.154 nan 8.310 nan 0.000 0.477 360 V N 3.168 122.964 119.914 -0.198 0.000 2.294 360 V HA 0.221 4.340 4.120 -0.001 0.000 0.258 360 V C -1.853 174.002 176.094 -0.399 0.000 1.080 360 V CA -1.316 60.773 62.300 -0.353 0.000 1.128 360 V CB 0.518 32.154 31.823 -0.312 0.000 1.323 360 V HN 0.218 nan 8.190 nan 0.000 0.498 361 P HA -0.185 nan 4.420 nan 0.000 0.219 361 P C 1.130 178.000 177.300 -0.718 0.000 1.146 361 P CA 1.557 64.422 63.100 -0.392 0.000 0.808 361 P CB 0.032 31.616 31.700 -0.194 0.000 0.779 362 H N -1.306 117.479 119.070 -0.474 0.000 2.539 362 H HA 0.461 5.017 4.556 -0.001 0.000 0.269 362 H C 0.613 175.794 175.328 -0.246 0.000 0.980 362 H CA -0.182 55.606 56.048 -0.434 0.000 1.152 362 H CB -0.530 29.134 29.762 -0.163 0.000 1.407 362 H HN -0.041 nan 8.280 nan 0.000 0.564 363 A N 2.450 124.932 122.820 -0.563 0.000 2.351 363 A HA 0.221 4.541 4.320 -0.001 0.000 0.257 363 A C 0.422 177.891 177.584 -0.191 0.000 1.087 363 A CA -0.383 51.461 52.037 -0.322 0.000 0.798 363 A CB 0.358 19.173 19.000 -0.309 0.000 1.033 363 A HN 0.656 nan 8.150 nan 0.000 0.488 364 N N 0.830 119.460 118.700 -0.117 0.000 2.418 364 N HA 0.148 4.887 4.740 -0.001 0.000 0.283 364 N C -0.064 175.410 175.510 -0.060 0.000 1.267 364 N CA -0.389 52.615 53.050 -0.076 0.000 0.975 364 N CB 0.107 38.564 38.487 -0.050 0.000 1.167 364 N HN 0.470 nan 8.380 nan 0.000 0.581 365 D N -0.811 119.568 120.400 -0.034 0.000 2.117 365 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 365 D C 1.726 178.027 176.300 0.002 0.000 0.987 365 D CA 0.705 54.697 54.000 -0.014 0.000 0.829 365 D CB -0.251 40.547 40.800 -0.004 0.000 0.961 365 D HN 0.370 nan 8.370 nan 0.000 0.460 366 L N 0.991 122.215 121.223 0.000 0.000 2.042 366 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 366 L C 2.221 179.109 176.870 0.030 0.000 1.076 366 L CA 2.026 56.877 54.840 0.018 0.000 0.749 366 L CB -1.064 40.998 42.059 0.005 0.000 0.893 366 L HN 0.074 nan 8.230 nan 0.000 0.432 367 G N -0.663 108.131 108.800 -0.010 0.000 2.446 367 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 367 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 367 G C 1.624 176.542 174.900 0.030 0.000 1.168 367 G CA 1.059 46.150 45.100 -0.016 0.000 0.771 367 G HN 0.437 nan 8.290 nan 0.000 0.551 368 L N 0.454 121.676 121.223 -0.000 0.000 2.042 368 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 368 L C 2.532 179.454 176.870 0.087 0.000 1.076 368 L CA 1.291 56.144 54.840 0.021 0.000 0.749 368 L CB -0.437 41.617 42.059 -0.008 0.000 0.893 368 L HN 0.110 nan 8.230 nan 0.000 0.432 369 D N 0.164 120.619 120.400 0.093 0.000 2.117 369 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 369 D C 2.245 178.644 176.300 0.164 0.000 0.987 369 D CA 1.479 55.558 54.000 0.131 0.000 0.829 369 D CB -0.025 40.833 40.800 0.097 0.000 0.961 369 D HN 0.311 nan 8.370 nan 0.000 0.460 370 A N 0.575 123.504 122.820 0.182 0.000 1.902 370 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 370 A C 2.529 180.214 177.584 0.168 0.000 1.181 370 A CA 1.253 53.451 52.037 0.269 0.000 0.623 370 A CB -0.725 18.553 19.000 0.463 0.000 0.818 370 A HN 0.144 nan 8.150 nan 0.000 0.443 371 V N -0.286 119.743 119.914 0.192 0.000 2.295 371 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 371 V C 2.743 178.927 176.094 0.151 0.000 1.049 371 V CA 2.509 64.856 62.300 0.078 0.000 1.024 371 V CB -1.401 30.506 31.823 0.141 0.000 0.648 371 V HN 0.598 nan 8.190 nan 0.000 0.447 372 T N 0.707 115.391 114.554 0.217 0.000 2.684 372 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 372 T C 1.920 176.811 174.700 0.319 0.000 1.036 372 T CA 2.030 64.339 62.100 0.348 0.000 1.148 372 T CB -0.412 68.689 68.868 0.389 0.000 0.863 372 T HN 0.344 nan 8.240 nan 0.000 0.436 373 L N 1.144 122.562 121.223 0.324 0.000 2.042 373 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 373 L C 2.466 179.432 176.870 0.160 0.000 1.076 373 L CA 1.871 56.956 54.840 0.408 0.000 0.749 373 L CB -0.736 41.456 42.059 0.223 0.000 0.893 373 L HN 0.088 nan 8.230 nan 0.000 0.432 374 Q N -1.242 118.490 119.800 -0.114 0.000 2.119 374 Q HA -0.170 4.169 4.340 -0.001 0.000 0.201 374 Q C 1.404 177.137 176.000 -0.446 0.000 0.972 374 Q CA 1.902 57.452 55.803 -0.422 0.000 0.847 374 Q CB -0.254 27.891 28.738 -0.988 0.000 0.903 374 Q HN 0.723 nan 8.270 nan 0.000 0.433 375 Y N -1.165 119.077 120.300 -0.097 0.000 2.485 375 Y HA 0.300 4.849 4.550 -0.001 0.000 0.260 375 Y C -0.086 175.747 175.900 -0.111 0.000 1.173 375 Y CA -0.072 58.020 58.100 -0.013 0.000 1.252 375 Y CB 0.891 39.442 38.460 0.152 0.000 1.123 375 Y HN -0.190 nan 8.280 nan 0.000 0.524 376 T N 0.774 115.199 114.554 -0.216 0.000 2.795 376 T HA 0.061 4.410 4.350 -0.001 0.000 0.282 376 T C -0.666 173.608 174.700 -0.711 0.000 0.980 376 T CA -0.643 61.045 62.100 -0.688 0.000 1.012 376 T CB 0.787 68.803 68.868 -1.420 0.000 0.936 376 T HN 0.001 nan 8.240 nan 0.000 0.457 377 D N 2.389 122.465 120.400 -0.540 0.000 2.435 377 D HA 0.076 4.715 4.640 -0.001 0.000 0.230 377 D C 0.193 176.273 176.300 -0.367 0.000 1.215 377 D CA -0.668 53.134 54.000 -0.331 0.000 0.947 377 D CB 0.182 40.863 40.800 -0.199 0.000 1.048 377 D HN 0.607 nan 8.370 nan 0.000 0.512 378 W N 2.741 123.998 121.300 -0.071 0.000 2.721 378 W HA 0.001 4.660 4.660 -0.001 0.000 0.245 378 W C 2.073 178.559 176.519 -0.055 0.000 1.276 378 W CA -0.188 57.118 57.345 -0.065 0.000 1.342 378 W CB -0.201 29.226 29.460 -0.055 0.000 1.135 378 W HN 0.415 nan 8.180 nan 0.000 0.654 379 M N -0.086 119.568 119.600 0.090 0.000 2.556 379 M HA -0.026 4.453 4.480 -0.001 0.000 0.245 379 M C 0.114 176.418 176.300 0.007 0.000 1.128 379 M CA 1.184 56.515 55.300 0.051 0.000 1.069 379 M CB 0.355 32.972 32.600 0.029 0.000 1.469 379 M HN -0.256 nan 8.290 nan 0.000 0.494 380 D N -0.390 119.988 120.400 -0.037 0.000 3.404 380 D HA -0.018 4.621 4.640 -0.001 0.000 0.329 380 D C -0.037 176.184 176.300 -0.131 0.000 1.421 380 D CA 0.125 54.085 54.000 -0.066 0.000 0.742 380 D CB 0.083 40.845 40.800 -0.063 0.000 1.290 380 D HN 0.364 nan 8.370 nan 0.000 0.600 381 D N -0.880 119.436 120.400 -0.141 0.000 2.392 381 D HA -0.099 4.540 4.640 -0.001 0.000 0.228 381 D C 0.433 176.606 176.300 -0.212 0.000 1.003 381 D CA 0.303 54.146 54.000 -0.260 0.000 0.917 381 D CB -0.040 40.638 40.800 -0.203 0.000 0.890 381 D HN 0.251 nan 8.370 nan 0.000 0.532 382 N N -0.108 118.513 118.700 -0.131 0.000 2.205 382 N HA -0.023 4.717 4.740 -0.001 0.000 0.201 382 N C 0.033 175.476 175.510 -0.112 0.000 1.128 382 N CA -0.367 52.617 53.050 -0.110 0.000 0.867 382 N CB 0.222 38.671 38.487 -0.064 0.000 0.996 382 N HN 0.027 nan 8.380 nan 0.000 0.503 383 N N 0.750 119.376 118.700 -0.124 0.000 2.440 383 N HA -0.022 4.717 4.740 -0.001 0.000 0.265 383 N C 1.087 176.528 175.510 -0.115 0.000 1.239 383 N CA 0.276 53.264 53.050 -0.103 0.000 0.909 383 N CB 1.085 39.516 38.487 -0.094 0.000 1.066 383 N HN 0.275 nan 8.380 nan 0.000 0.474 384 G N 4.438 113.179 108.800 -0.099 0.000 2.421 384 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.217 384 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.217 384 G C 1.586 176.425 174.900 -0.101 0.000 1.143 384 G CA 0.236 45.268 45.100 -0.113 0.000 0.784 384 G HN 0.628 nan 8.290 nan 0.000 0.541 385 I N 0.929 121.458 120.570 -0.068 0.000 2.233 385 I HA -0.061 4.109 4.170 -0.001 0.000 0.243 385 I C 2.553 178.670 176.117 -0.000 0.000 1.093 385 I CA 1.146 62.430 61.300 -0.028 0.000 1.380 385 I CB -0.854 37.144 38.000 -0.005 0.000 1.067 385 I HN 0.194 nan 8.210 nan 0.000 0.413 386 K N 0.709 121.092 120.400 -0.028 0.000 2.097 386 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 386 K C 1.806 178.391 176.600 -0.026 0.000 1.049 386 K CA 1.180 57.450 56.287 -0.028 0.000 0.933 386 K CB -0.145 32.306 32.500 -0.082 0.000 0.717 386 K HN 0.312 nan 8.250 nan 0.000 0.442 387 N N 0.780 119.436 118.700 -0.074 0.000 2.188 387 N HA -0.135 4.604 4.740 -0.001 0.000 0.184 387 N C 1.694 177.332 175.510 0.213 0.000 1.018 387 N CA 0.731 53.769 53.050 -0.020 0.000 0.858 387 N CB -0.136 38.293 38.487 -0.095 0.000 0.989 387 N HN 0.178 nan 8.380 nan 0.000 0.426 388 R N 1.343 121.900 120.500 0.094 0.000 2.070 388 R HA -0.104 4.235 4.340 -0.001 0.000 0.232 388 R C 0.828 177.298 176.300 0.283 0.000 1.138 388 R CA 1.530 57.717 56.100 0.145 0.000 0.936 388 R CB -0.294 29.999 30.300 -0.011 0.000 0.839 388 R HN 0.079 nan 8.270 nan 0.000 0.429 389 D N -0.536 119.995 120.400 0.218 0.000 2.123 389 D HA -0.111 4.529 4.640 -0.001 0.000 0.196 389 D C 1.740 178.183 176.300 0.239 0.000 0.992 389 D CA 1.591 55.728 54.000 0.228 0.000 0.833 389 D CB -0.676 40.227 40.800 0.172 0.000 0.954 389 D HN 0.532 nan 8.370 nan 0.000 0.455 390 G N 0.382 109.331 108.800 0.249 0.000 2.432 390 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 390 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 390 G C 1.515 176.568 174.900 0.255 0.000 1.135 390 G CA 0.255 45.548 45.100 0.321 0.000 0.767 390 G HN 0.183 nan 8.290 nan 0.000 0.550 391 L N 0.817 122.204 121.223 0.273 0.000 2.109 391 L HA 0.081 4.420 4.340 -0.001 0.000 0.207 391 L C 2.231 179.149 176.870 0.080 0.000 1.086 391 L CA 1.560 56.470 54.840 0.118 0.000 0.760 391 L CB -0.524 41.672 42.059 0.227 0.000 0.910 391 L HN 0.152 nan 8.230 nan 0.000 0.437 392 D N -0.411 120.093 120.400 0.173 0.000 2.092 392 D HA -0.210 4.429 4.640 -0.001 0.000 0.193 392 D C 1.609 177.985 176.300 0.126 0.000 0.994 392 D CA 1.389 55.492 54.000 0.172 0.000 0.828 392 D CB 0.124 41.073 40.800 0.248 0.000 0.963 392 D HN 0.277 nan 8.370 nan 0.000 0.450 393 D N -0.223 120.260 120.400 0.138 0.000 2.117 393 D HA -0.099 4.541 4.640 -0.001 0.000 0.197 393 D C 2.304 178.595 176.300 -0.015 0.000 0.987 393 D CA 0.437 54.529 54.000 0.153 0.000 0.829 393 D CB -0.290 40.700 40.800 0.318 0.000 0.961 393 D HN 0.352 nan 8.370 nan 0.000 0.460 394 I N 0.358 120.767 120.570 -0.267 0.000 2.163 394 I HA -0.250 3.919 4.170 -0.001 0.000 0.243 394 I C 2.365 178.359 176.117 -0.205 0.000 1.085 394 I CA 0.738 61.797 61.300 -0.401 0.000 1.347 394 I CB -0.135 37.617 38.000 -0.414 0.000 1.044 394 I HN -0.099 nan 8.210 nan 0.000 0.408 395 V N 0.773 120.624 119.914 -0.105 0.000 2.343 395 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 395 V C 2.499 178.547 176.094 -0.076 0.000 1.051 395 V CA 2.137 64.406 62.300 -0.051 0.000 1.036 395 V CB -1.456 30.408 31.823 0.067 0.000 0.654 395 V HN 0.585 nan 8.190 nan 0.000 0.451 396 G N -0.324 108.474 108.800 -0.004 0.000 2.404 396 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.214 396 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.214 396 G C 1.214 176.070 174.900 -0.073 0.000 1.189 396 G CA 0.920 46.035 45.100 0.025 0.000 0.789 396 G HN 0.485 nan 8.290 nan 0.000 0.533 397 D N -0.197 120.159 120.400 -0.073 0.000 2.104 397 D HA -0.116 4.523 4.640 -0.001 0.000 0.194 397 D C 2.076 178.072 176.300 -0.506 0.000 0.994 397 D CA 1.440 55.366 54.000 -0.124 0.000 0.830 397 D CB -0.390 40.486 40.800 0.126 0.000 0.959 397 D HN 0.501 nan 8.370 nan 0.000 0.452 398 H N 0.010 118.497 119.070 -0.972 0.000 2.436 398 H HA 0.129 4.684 4.556 -0.001 0.000 0.294 398 H C 1.423 176.378 175.328 -0.622 0.000 1.048 398 H CA 1.257 56.569 56.048 -1.226 0.000 1.353 398 H CB 0.171 28.978 29.762 -1.591 0.000 1.414 398 H HN -0.031 nan 8.280 nan 0.000 0.536 399 N N -0.656 117.618 118.700 -0.709 0.000 2.388 399 N HA 0.021 4.761 4.740 -0.001 0.000 0.176 399 N C 0.887 176.173 175.510 -0.372 0.000 1.062 399 N CA 0.951 53.554 53.050 -0.744 0.000 0.895 399 N CB 1.237 38.884 38.487 -1.399 0.000 1.018 399 N HN 0.256 nan 8.380 nan 0.000 0.456 400 V N 0.512 120.275 119.914 -0.252 0.000 3.449 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.208 400 V C 2.047 178.116 176.094 -0.042 0.000 1.269 400 V CA -0.103 62.172 62.300 -0.042 0.000 1.301 400 V CB 0.120 31.996 31.823 0.087 0.000 1.306 400 V HN -0.066 nan 8.190 nan 0.000 0.531 401 I N 0.613 121.173 120.570 -0.017 0.000 2.163 401 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 401 I C 2.491 178.607 176.117 -0.001 0.000 1.085 401 I CA 1.944 63.254 61.300 0.016 0.000 1.347 401 I CB -0.460 37.584 38.000 0.075 0.000 1.044 401 I HN 0.414 nan 8.210 nan 0.000 0.408 402 c N 0.506 119.091 118.600 -0.025 0.000 2.475 402 c HA 0.018 4.588 4.570 -0.001 0.000 0.279 402 c C 0.227 174.336 174.090 0.031 0.000 1.322 402 c CA 0.422 56.778 56.329 0.045 0.000 1.734 402 c CB -1.698 40.884 42.510 0.121 0.000 2.005 402 c HN 0.370 nan 8.230 nan 0.000 0.495 403 P HA -0.105 nan 4.420 nan 0.000 0.216 403 P C 1.706 179.022 177.300 0.026 0.000 1.153 403 P CA 1.074 64.140 63.100 -0.057 0.000 0.848 403 P CB -0.188 31.384 31.700 -0.214 0.000 0.787 404 L N -1.793 119.420 121.223 -0.017 0.000 2.046 404 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 404 L C 2.176 179.080 176.870 0.056 0.000 1.077 404 L CA 1.753 56.595 54.840 0.003 0.000 0.747 404 L CB -0.600 41.434 42.059 -0.041 0.000 0.896 404 L HN -0.131 nan 8.230 nan 0.000 0.432 405 M N -1.208 118.418 119.600 0.043 0.000 2.229 405 M HA -0.199 4.281 4.480 -0.001 0.000 0.264 405 M C 2.277 178.647 176.300 0.116 0.000 1.063 405 M CA 1.578 56.900 55.300 0.038 0.000 1.114 405 M CB -1.474 31.161 32.600 0.060 0.000 1.387 405 M HN 0.444 nan 8.290 nan 0.000 0.420 406 H N -0.098 119.008 119.070 0.061 0.000 2.357 406 H HA -0.155 4.401 4.556 -0.001 0.000 0.301 406 H C 1.822 177.203 175.328 0.088 0.000 1.082 406 H CA 1.805 57.899 56.048 0.077 0.000 1.342 406 H CB -0.315 29.488 29.762 0.068 0.000 1.389 406 H HN 0.221 nan 8.280 nan 0.000 0.511 407 F N 0.905 120.814 119.950 -0.068 0.000 2.075 407 F HA -0.201 4.325 4.527 -0.001 0.000 0.297 407 F C 2.566 178.295 175.800 -0.117 0.000 1.113 407 F CA 2.003 59.919 58.000 -0.140 0.000 1.218 407 F CB -0.907 38.015 39.000 -0.130 0.000 0.984 407 F HN 0.163 nan 8.300 nan 0.000 0.472 408 V N -0.263 119.598 119.914 -0.088 0.000 2.407 408 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 408 V C 2.069 178.098 176.094 -0.109 0.000 1.055 408 V CA 2.375 64.540 62.300 -0.223 0.000 1.049 408 V CB -1.011 30.554 31.823 -0.430 0.000 0.662 408 V HN 0.428 nan 8.190 nan 0.000 0.455 409 N N 0.616 119.299 118.700 -0.028 0.000 2.270 409 N HA -0.080 4.659 4.740 -0.001 0.000 0.181 409 N C 1.821 177.318 175.510 -0.021 0.000 1.016 409 N CA 1.506 54.614 53.050 0.096 0.000 0.870 409 N CB -0.234 38.329 38.487 0.127 0.000 0.979 409 N HN 0.558 nan 8.380 nan 0.000 0.431 410 K N 0.186 120.489 120.400 -0.161 0.000 2.076 410 K HA -0.081 4.238 4.320 -0.001 0.000 0.204 410 K C 1.913 178.482 176.600 -0.053 0.000 1.051 410 K CA 0.448 56.657 56.287 -0.130 0.000 0.949 410 K CB -0.499 31.861 32.500 -0.234 0.000 0.726 410 K HN 0.218 nan 8.250 nan 0.000 0.443 411 Y N 2.429 122.488 120.300 -0.401 0.000 2.114 411 Y HA -0.225 4.325 4.550 -0.001 0.000 0.284 411 Y C 2.273 178.168 175.900 -0.009 0.000 1.143 411 Y CA 1.872 59.721 58.100 -0.417 0.000 1.135 411 Y CB -0.429 37.488 38.460 -0.905 0.000 0.980 411 Y HN -0.015 nan 8.280 nan 0.000 0.499 412 T N -0.550 114.060 114.554 0.094 0.000 2.977 412 T HA -0.201 4.148 4.350 -0.001 0.000 0.271 412 T C 1.989 176.671 174.700 -0.030 0.000 1.105 412 T CA 1.360 63.531 62.100 0.119 0.000 1.116 412 T CB -0.269 68.771 68.868 0.287 0.000 0.878 412 T HN 0.176 nan 8.240 nan 0.000 0.509 413 K N 0.258 120.581 120.400 -0.127 0.000 2.097 413 K HA 0.036 4.355 4.320 -0.001 0.000 0.205 413 K C 1.435 177.685 176.600 -0.583 0.000 1.050 413 K CA 0.877 56.934 56.287 -0.383 0.000 0.938 413 K CB -0.490 31.705 32.500 -0.508 0.000 0.718 413 K HN 0.591 nan 8.250 nan 0.000 0.442 414 F N -0.436 119.459 119.950 -0.091 0.000 2.724 414 F HA 0.424 4.950 4.527 -0.001 0.000 0.306 414 F C 1.488 177.170 175.800 -0.196 0.000 1.100 414 F CA -0.184 57.717 58.000 -0.165 0.000 1.255 414 F CB -0.040 38.778 39.000 -0.303 0.000 1.072 414 F HN 0.242 nan 8.300 nan 0.000 0.589 415 G N -0.275 108.467 108.800 -0.096 0.000 2.588 415 G HA2 0.021 3.981 3.960 -0.001 0.000 0.281 415 G HA3 0.021 3.981 3.960 -0.001 0.000 0.281 415 G C 0.269 175.215 174.900 0.077 0.000 1.236 415 G CA -0.436 44.622 45.100 -0.071 0.000 0.969 415 G HN 0.232 nan 8.290 nan 0.000 0.504 416 N N -0.270 118.526 118.700 0.161 0.000 2.273 416 N HA 0.285 5.024 4.740 -0.001 0.000 0.231 416 N C 0.283 175.878 175.510 0.141 0.000 1.134 416 N CA 0.461 53.584 53.050 0.122 0.000 0.856 416 N CB 0.202 38.754 38.487 0.108 0.000 1.068 416 N HN 0.876 nan 8.380 nan 0.000 0.510 417 G N 0.594 109.491 108.800 0.162 0.000 2.677 417 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.321 417 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.321 417 G C -1.116 173.867 174.900 0.139 0.000 1.449 417 G CA -0.823 44.338 45.100 0.101 0.000 1.064 417 G HN 0.024 nan 8.290 nan 0.000 0.627 418 T N 2.094 116.618 114.554 -0.049 0.000 2.792 418 T HA 0.654 5.004 4.350 -0.001 0.000 0.280 418 T C -1.041 173.498 174.700 -0.270 0.000 0.990 418 T CA -0.224 61.869 62.100 -0.012 0.000 0.960 418 T CB 1.040 69.996 68.868 0.146 0.000 0.939 418 T HN 0.405 nan 8.240 nan 0.000 0.439 419 Y N 2.381 122.634 120.300 -0.079 0.000 2.331 419 Y HA 0.622 5.172 4.550 -0.001 0.000 0.334 419 Y C -0.472 175.516 175.900 0.146 0.000 0.960 419 Y CA -1.153 56.843 58.100 -0.172 0.000 1.130 419 Y CB 1.471 39.380 38.460 -0.918 0.000 1.164 419 Y HN 0.404 nan 8.280 nan 0.000 0.458 420 L N 6.298 127.918 121.223 0.661 0.000 2.305 420 L HA 0.523 4.862 4.340 -0.001 0.000 0.284 420 L C -1.133 176.155 176.870 0.697 0.000 1.013 420 L CA -1.062 54.080 54.840 0.502 0.000 0.819 420 L CB 0.334 42.528 42.059 0.224 0.000 1.227 420 L HN 0.527 nan 8.230 nan 0.000 0.417 421 Y N 3.577 124.180 120.300 0.504 0.000 2.528 421 Y HA 0.744 5.294 4.550 -0.001 0.000 0.335 421 Y C -1.573 174.579 175.900 0.421 0.000 1.093 421 Y CA -1.914 56.385 58.100 0.330 0.000 1.134 421 Y CB 1.285 39.873 38.460 0.214 0.000 1.253 421 Y HN 0.516 nan 8.280 nan 0.000 0.478 422 F N 4.329 124.580 119.950 0.500 0.000 2.610 422 F HA 0.427 4.953 4.527 -0.001 0.000 0.355 422 F C -1.913 174.185 175.800 0.496 0.000 1.140 422 F CA -1.805 56.430 58.000 0.393 0.000 1.037 422 F CB 0.668 39.873 39.000 0.342 0.000 1.287 422 F HN 0.567 nan 8.300 nan 0.000 0.457 423 F N 7.928 127.945 119.950 0.111 0.000 2.413 423 F HA 0.319 4.846 4.527 -0.001 0.000 0.359 423 F C 0.113 175.744 175.800 -0.283 0.000 1.122 423 F CA -0.342 57.666 58.000 0.013 0.000 1.160 423 F CB 0.536 39.624 39.000 0.147 0.000 1.146 423 F HN 0.525 nan 8.300 nan 0.000 0.514 424 N N 3.589 121.926 118.700 -0.606 0.000 2.571 424 N HA 0.100 4.840 4.740 -0.001 0.000 0.298 424 N C -1.351 173.899 175.510 -0.434 0.000 1.671 424 N CA -0.509 52.276 53.050 -0.442 0.000 0.900 424 N CB -0.520 37.890 38.487 -0.128 0.000 1.365 424 N HN 0.648 nan 8.380 nan 0.000 0.493 425 H N 0.255 118.747 119.070 -0.964 0.000 2.511 425 H HA 0.443 4.999 4.556 -0.001 0.000 0.328 425 H C -0.597 174.503 175.328 -0.381 0.000 1.044 425 H CA -0.706 54.940 56.048 -0.670 0.000 1.212 425 H CB 1.214 30.488 29.762 -0.813 0.000 1.428 425 H HN 0.160 nan 8.280 nan 0.000 0.483 426 R N 4.355 124.357 120.500 -0.830 0.000 2.221 426 R HA 0.543 4.883 4.340 -0.001 0.000 0.327 426 R C -0.565 175.438 176.300 -0.494 0.000 1.033 426 R CA -0.567 55.270 56.100 -0.439 0.000 0.887 426 R CB 0.397 30.553 30.300 -0.241 0.000 1.057 426 R HN 0.780 nan 8.270 nan 0.000 0.455 427 A N 2.993 125.852 122.820 0.064 0.000 2.555 427 A HA -0.004 4.316 4.320 -0.001 0.000 0.233 427 A C 1.320 179.005 177.584 0.167 0.000 1.060 427 A CA 0.511 52.786 52.037 0.396 0.000 0.759 427 A CB 0.339 19.713 19.000 0.625 0.000 0.995 427 A HN 1.024 nan 8.150 nan 0.000 0.506 428 S N 1.138 116.972 115.700 0.223 0.000 2.428 428 S HA -0.149 4.320 4.470 -0.001 0.000 0.230 428 S C 0.855 175.458 174.600 0.005 0.000 1.014 428 S CA 1.094 59.352 58.200 0.096 0.000 0.957 428 S CB -0.450 62.828 63.200 0.129 0.000 0.784 428 S HN 0.918 nan 8.310 nan 0.000 0.499 429 N N 0.830 119.490 118.700 -0.066 0.000 2.320 429 N HA 0.281 5.021 4.740 -0.001 0.000 0.237 429 N C -0.513 174.935 175.510 -0.103 0.000 1.129 429 N CA -0.466 52.493 53.050 -0.153 0.000 0.854 429 N CB -0.432 37.840 38.487 -0.359 0.000 1.083 429 N HN 0.309 nan 8.380 nan 0.000 0.504 430 L N 1.364 122.576 121.223 -0.019 0.000 2.410 430 L HA 0.097 4.437 4.340 -0.001 0.000 0.273 430 L C 1.221 178.080 176.870 -0.019 0.000 1.152 430 L CA -0.076 54.773 54.840 0.014 0.000 0.855 430 L CB 1.237 43.318 42.059 0.037 0.000 1.129 430 L HN 0.225 nan 8.230 nan 0.000 0.463 431 V N 0.850 120.725 119.914 -0.064 0.000 3.608 431 V HA 0.152 4.271 4.120 -0.001 0.000 0.269 431 V C 0.474 176.569 176.094 0.001 0.000 1.245 431 V CA -0.474 61.776 62.300 -0.082 0.000 1.138 431 V CB -1.234 30.448 31.823 -0.235 0.000 0.841 431 V HN 0.635 nan 8.190 nan 0.000 0.451 432 W N 1.955 123.273 121.300 0.030 0.000 2.251 432 W HA 0.514 5.174 4.660 -0.001 0.000 0.329 432 W C -1.766 174.658 176.519 -0.158 0.000 1.234 432 W CA -2.287 55.039 57.345 -0.032 0.000 1.228 432 W CB 0.124 29.492 29.460 -0.153 0.000 1.135 432 W HN -0.008 nan 8.180 nan 0.000 0.576 433 P HA -0.117 nan 4.420 nan 0.000 0.266 433 P C 0.537 177.741 177.300 -0.160 0.000 1.193 433 P CA 0.317 63.373 63.100 -0.073 0.000 0.770 433 P CB 1.038 32.688 31.700 -0.083 0.000 0.836 434 E N 2.667 122.851 120.200 -0.027 0.000 2.171 434 E HA -0.154 4.195 4.350 -0.001 0.000 0.197 434 E C 1.561 178.179 176.600 0.030 0.000 0.997 434 E CA 1.807 58.210 56.400 0.005 0.000 0.810 434 E CB -0.652 29.089 29.700 0.069 0.000 0.738 434 E HN 0.752 nan 8.360 nan 0.000 0.467 435 W N -1.147 120.196 121.300 0.071 0.000 2.465 435 W HA 0.004 4.663 4.660 -0.001 0.000 0.268 435 W C 1.744 178.318 176.519 0.091 0.000 1.242 435 W CA 0.574 57.969 57.345 0.083 0.000 1.248 435 W CB -0.788 28.731 29.460 0.098 0.000 1.118 435 W HN 0.264 nan 8.180 nan 0.000 0.587 436 M N 1.340 120.566 119.600 -0.624 0.000 2.476 436 M HA 0.088 4.567 4.480 -0.001 0.000 0.262 436 M C 1.754 177.937 176.300 -0.195 0.000 1.079 436 M CA 1.878 56.807 55.300 -0.618 0.000 1.104 436 M CB -0.631 31.455 32.600 -0.856 0.000 1.409 436 M HN 0.209 nan 8.290 nan 0.000 0.467 437 G N 0.155 108.893 108.800 -0.104 0.000 2.531 437 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.274 437 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.274 437 G C -0.251 174.617 174.900 -0.053 0.000 1.159 437 G CA -0.287 44.796 45.100 -0.030 0.000 0.969 437 G HN 0.182 nan 8.290 nan 0.000 0.554 438 V N 1.910 121.819 119.914 -0.008 0.000 2.270 438 V HA 0.432 4.552 4.120 -0.001 0.000 0.263 438 V C 0.937 177.094 176.094 0.104 0.000 1.066 438 V CA -0.195 62.127 62.300 0.036 0.000 0.857 438 V CB 0.280 32.094 31.823 -0.015 0.000 1.099 438 V HN 0.536 nan 8.190 nan 0.000 0.476 439 I N 2.933 123.543 120.570 0.067 0.000 2.634 439 I HA 0.128 4.298 4.170 -0.001 0.000 0.284 439 I C 0.942 177.230 176.117 0.285 0.000 1.124 439 I CA -0.418 60.923 61.300 0.068 0.000 1.417 439 I CB 0.234 38.093 38.000 -0.234 0.000 1.396 439 I HN 0.573 nan 8.210 nan 0.000 0.571 440 H N 4.859 123.977 119.070 0.080 0.000 3.167 440 H HA 0.107 4.663 4.556 -0.001 0.000 0.306 440 H C 1.047 176.346 175.328 -0.047 0.000 0.965 440 H CA 1.205 57.270 56.048 0.028 0.000 1.408 440 H CB 0.143 29.882 29.762 -0.037 0.000 1.406 440 H HN 0.777 nan 8.280 nan 0.000 0.576 441 G N 3.473 112.107 108.800 -0.276 0.000 2.195 441 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.246 441 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.246 441 G C 0.594 175.378 174.900 -0.195 0.000 0.984 441 G CA 0.408 45.285 45.100 -0.372 0.000 0.633 441 G HN 0.644 nan 8.290 nan 0.000 0.525 442 Y N 1.335 121.704 120.300 0.116 0.000 2.468 442 Y HA 0.213 4.763 4.550 -0.001 0.000 0.268 442 Y C 2.393 178.393 175.900 0.167 0.000 1.177 442 Y CA 0.918 59.169 58.100 0.251 0.000 1.265 442 Y CB 0.435 39.072 38.460 0.296 0.000 1.103 442 Y HN 0.489 nan 8.280 nan 0.000 0.522 443 E N 0.543 120.665 120.200 -0.130 0.000 2.230 443 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 443 E C 1.755 178.226 176.600 -0.216 0.000 0.987 443 E CA 0.918 56.871 56.400 -0.745 0.000 0.841 443 E CB -0.481 28.620 29.700 -0.998 0.000 0.783 443 E HN 0.516 nan 8.360 nan 0.000 0.481 444 I N 2.742 123.296 120.570 -0.026 0.000 2.113 444 I HA -0.342 3.828 4.170 -0.001 0.000 0.242 444 I C 2.761 178.907 176.117 0.049 0.000 1.064 444 I CA 2.369 63.718 61.300 0.082 0.000 1.320 444 I CB -0.714 37.387 38.000 0.169 0.000 1.028 444 I HN 0.271 nan 8.210 nan 0.000 0.406 445 E N 0.954 121.138 120.200 -0.026 0.000 2.209 445 E HA -0.240 4.110 4.350 -0.001 0.000 0.196 445 E C 2.087 178.499 176.600 -0.314 0.000 0.993 445 E CA 1.500 57.799 56.400 -0.168 0.000 0.819 445 E CB -0.541 29.054 29.700 -0.176 0.000 0.745 445 E HN 0.449 nan 8.360 nan 0.000 0.477 446 F N 1.152 120.983 119.950 -0.198 0.000 2.234 446 F HA -0.063 4.463 4.527 -0.001 0.000 0.296 446 F C 2.427 178.029 175.800 -0.330 0.000 1.089 446 F CA 0.720 58.566 58.000 -0.258 0.000 1.343 446 F CB -0.170 38.715 39.000 -0.192 0.000 1.040 446 F HN -0.130 nan 8.300 nan 0.000 0.498 447 V N -1.028 118.755 119.914 -0.218 0.000 2.358 447 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 447 V C 1.624 177.482 176.094 -0.393 0.000 1.047 447 V CA 1.610 63.638 62.300 -0.454 0.000 1.035 447 V CB -0.600 30.959 31.823 -0.439 0.000 0.658 447 V HN 0.198 nan 8.190 nan 0.000 0.452 448 F N 0.541 120.335 119.950 -0.259 0.000 2.773 448 F HA 0.388 4.915 4.527 -0.001 0.000 0.304 448 F C 1.754 177.432 175.800 -0.203 0.000 1.129 448 F CA 0.597 58.472 58.000 -0.209 0.000 1.378 448 F CB -0.424 38.429 39.000 -0.244 0.000 1.095 448 F HN 0.258 nan 8.300 nan 0.000 0.565 449 G N 0.598 109.284 108.800 -0.190 0.000 2.221 449 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.265 449 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.265 449 G C 1.191 175.745 174.900 -0.578 0.000 1.041 449 G CA 0.452 45.368 45.100 -0.306 0.000 0.807 449 G HN 0.458 nan 8.290 nan 0.000 0.502 450 L N -0.437 120.416 121.223 -0.617 0.000 2.083 450 L HA -0.043 4.296 4.340 -0.001 0.000 0.209 450 L C 0.120 176.543 176.870 -0.746 0.000 1.083 450 L CA 1.762 56.193 54.840 -0.682 0.000 0.752 450 L CB -0.915 40.873 42.059 -0.451 0.000 0.899 450 L HN 0.182 nan 8.230 nan 0.000 0.433 451 P HA -0.150 nan 4.420 nan 0.000 0.234 451 P C 1.452 178.510 177.300 -0.404 0.000 1.162 451 P CA 1.122 63.637 63.100 -0.975 0.000 0.759 451 P CB 0.033 31.084 31.700 -1.082 0.000 0.813 452 L N -1.759 119.228 121.223 -0.394 0.000 2.416 452 L HA 0.079 4.418 4.340 -0.001 0.000 0.216 452 L C 1.107 177.863 176.870 -0.190 0.000 1.098 452 L CA 0.323 55.020 54.840 -0.239 0.000 0.840 452 L CB -0.195 41.747 42.059 -0.195 0.000 0.981 452 L HN -0.114 nan 8.230 nan 0.000 0.462 453 V N -0.251 119.504 119.914 -0.266 0.000 2.356 453 V HA 0.060 4.179 4.120 -0.001 0.000 0.258 453 V C 1.459 177.514 176.094 -0.065 0.000 1.065 453 V CA -0.126 62.083 62.300 -0.152 0.000 0.935 453 V CB 1.168 32.880 31.823 -0.184 0.000 1.061 453 V HN 0.109 nan 8.190 nan 0.000 0.484 454 K N 3.939 124.315 120.400 -0.040 0.000 2.107 454 K HA -0.224 4.095 4.320 -0.001 0.000 0.211 454 K C 1.679 178.268 176.600 -0.019 0.000 1.049 454 K CA 2.468 58.745 56.287 -0.017 0.000 0.927 454 K CB -0.597 31.892 32.500 -0.018 0.000 0.714 454 K HN 1.023 nan 8.250 nan 0.000 0.452 455 E N 0.268 120.450 120.200 -0.030 0.000 2.510 455 E HA -0.016 4.333 4.350 -0.001 0.000 0.202 455 E C 1.475 178.043 176.600 -0.055 0.000 1.072 455 E CA 0.604 56.980 56.400 -0.039 0.000 0.883 455 E CB -0.174 29.503 29.700 -0.038 0.000 0.818 455 E HN 0.358 nan 8.360 nan 0.000 0.548 456 L N 0.124 121.321 121.223 -0.043 0.000 2.585 456 L HA 0.134 4.473 4.340 -0.001 0.000 0.226 456 L C -0.061 176.694 176.870 -0.192 0.000 1.113 456 L CA -0.221 54.569 54.840 -0.082 0.000 0.876 456 L CB -0.041 42.038 42.059 0.034 0.000 1.072 456 L HN 0.102 nan 8.230 nan 0.000 0.468 457 N N -0.448 118.195 118.700 -0.096 0.000 2.756 457 N HA -0.217 4.523 4.740 -0.001 0.000 0.248 457 N C -0.625 174.804 175.510 -0.134 0.000 1.062 457 N CA 0.827 53.814 53.050 -0.105 0.000 0.696 457 N CB -1.700 36.706 38.487 -0.134 0.000 0.946 457 N HN 0.282 nan 8.380 nan 0.000 0.548 458 Y N 0.341 120.612 120.300 -0.049 0.000 2.334 458 Y HA 0.309 4.859 4.550 -0.001 0.000 0.325 458 Y C 1.961 177.868 175.900 0.012 0.000 1.308 458 Y CA 0.010 58.101 58.100 -0.014 0.000 1.389 458 Y CB 0.540 38.957 38.460 -0.072 0.000 1.328 458 Y HN 0.116 nan 8.280 nan 0.000 0.532 459 T N -2.002 112.686 114.554 0.223 0.000 2.788 459 T HA 0.425 4.774 4.350 -0.001 0.000 0.280 459 T C 1.168 175.931 174.700 0.106 0.000 0.984 459 T CA -0.263 61.918 62.100 0.134 0.000 0.972 459 T CB 1.035 69.982 68.868 0.131 0.000 1.039 459 T HN 0.740 nan 8.240 nan 0.000 0.530 460 A N 0.359 123.217 122.820 0.065 0.000 1.898 460 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 460 A C 2.154 179.757 177.584 0.033 0.000 1.181 460 A CA 1.521 53.581 52.037 0.038 0.000 0.620 460 A CB -1.096 17.919 19.000 0.026 0.000 0.819 460 A HN 0.911 nan 8.150 nan 0.000 0.442 461 E N 0.264 120.487 120.200 0.040 0.000 2.204 461 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 461 E C 1.795 178.404 176.600 0.015 0.000 0.990 461 E CA 1.383 57.794 56.400 0.018 0.000 0.821 461 E CB -0.167 29.544 29.700 0.018 0.000 0.750 461 E HN 0.765 nan 8.360 nan 0.000 0.477 462 E N 0.238 120.487 120.200 0.080 0.000 2.230 462 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 462 E C 1.866 178.528 176.600 0.103 0.000 0.987 462 E CA 0.350 56.861 56.400 0.185 0.000 0.841 462 E CB 0.099 30.024 29.700 0.375 0.000 0.783 462 E HN 0.290 nan 8.360 nan 0.000 0.481 463 E N 0.943 121.152 120.200 0.015 0.000 2.047 463 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 463 E C 2.062 178.640 176.600 -0.038 0.000 0.987 463 E CA 0.928 57.293 56.400 -0.058 0.000 0.799 463 E CB -0.005 29.668 29.700 -0.044 0.000 0.752 463 E HN 0.182 nan 8.360 nan 0.000 0.449 464 A N 1.248 124.058 122.820 -0.016 0.000 1.902 464 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 464 A C 2.151 179.722 177.584 -0.022 0.000 1.181 464 A CA 1.381 53.403 52.037 -0.025 0.000 0.623 464 A CB -0.625 18.362 19.000 -0.022 0.000 0.818 464 A HN 0.375 nan 8.150 nan 0.000 0.443 465 L N -0.553 120.673 121.223 0.005 0.000 2.093 465 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 465 L C 2.523 179.438 176.870 0.075 0.000 1.085 465 L CA 2.475 57.322 54.840 0.012 0.000 0.755 465 L CB -0.655 41.365 42.059 -0.065 0.000 0.904 465 L HN 0.313 nan 8.230 nan 0.000 0.435 466 S N -0.519 115.261 115.700 0.133 0.000 2.356 466 S HA -0.214 4.256 4.470 -0.001 0.000 0.223 466 S C 2.212 176.777 174.600 -0.057 0.000 1.032 466 S CA 1.443 59.669 58.200 0.044 0.000 1.005 466 S CB -0.243 62.857 63.200 -0.166 0.000 0.867 466 S HN 0.533 nan 8.310 nan 0.000 0.449 467 R N 0.319 120.783 120.500 -0.060 0.000 2.091 467 R HA -0.056 4.283 4.340 -0.001 0.000 0.238 467 R C 2.724 178.989 176.300 -0.058 0.000 1.136 467 R CA 1.671 57.736 56.100 -0.058 0.000 0.959 467 R CB -0.319 29.943 30.300 -0.063 0.000 0.856 467 R HN 0.408 nan 8.270 nan 0.000 0.437 468 R N 0.779 121.227 120.500 -0.087 0.000 2.092 468 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 468 R C 2.066 178.269 176.300 -0.162 0.000 1.119 468 R CA 1.245 57.235 56.100 -0.184 0.000 0.970 468 R CB -0.101 30.095 30.300 -0.174 0.000 0.864 468 R HN 0.186 nan 8.270 nan 0.000 0.440 469 I N 0.212 120.750 120.570 -0.052 0.000 2.286 469 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 469 I C 2.395 178.466 176.117 -0.076 0.000 1.104 469 I CA 1.073 62.335 61.300 -0.063 0.000 1.397 469 I CB -0.074 37.718 38.000 -0.348 0.000 1.072 469 I HN 0.259 nan 8.210 nan 0.000 0.417 470 M N -0.510 119.025 119.600 -0.108 0.000 2.117 470 M HA -0.267 4.212 4.480 -0.001 0.000 0.262 470 M C 2.433 178.798 176.300 0.109 0.000 1.065 470 M CA 1.819 57.084 55.300 -0.058 0.000 1.114 470 M CB -0.616 31.942 32.600 -0.069 0.000 1.361 470 M HN 0.271 nan 8.290 nan 0.000 0.408 471 H N -0.600 118.480 119.070 0.016 0.000 2.357 471 H HA -0.149 4.406 4.556 -0.001 0.000 0.301 471 H C 1.604 177.045 175.328 0.189 0.000 1.082 471 H CA 1.923 57.993 56.048 0.036 0.000 1.342 471 H CB -0.017 29.708 29.762 -0.061 0.000 1.389 471 H HN 0.262 nan 8.280 nan 0.000 0.511 472 Y N -0.765 119.695 120.300 0.266 0.000 2.181 472 Y HA -0.249 4.301 4.550 -0.001 0.000 0.288 472 Y C 2.469 178.576 175.900 0.346 0.000 1.146 472 Y CA 1.060 59.369 58.100 0.348 0.000 1.164 472 Y CB -0.923 37.945 38.460 0.680 0.000 0.982 472 Y HN 0.393 nan 8.280 nan 0.000 0.515 473 W N -0.914 120.482 121.300 0.161 0.000 2.381 473 W HA -0.139 4.520 4.660 -0.001 0.000 0.301 473 W C 2.517 179.024 176.519 -0.019 0.000 1.205 473 W CA 0.955 58.323 57.345 0.038 0.000 1.285 473 W CB -0.362 29.066 29.460 -0.053 0.000 1.133 473 W HN 0.031 nan 8.180 nan 0.000 0.521 474 A N 0.069 122.983 122.820 0.157 0.000 1.872 474 A HA -0.134 4.186 4.320 -0.001 0.000 0.214 474 A C 1.830 179.384 177.584 -0.050 0.000 1.187 474 A CA 2.077 54.120 52.037 0.011 0.000 0.614 474 A CB -1.209 17.786 19.000 -0.009 0.000 0.826 474 A HN 0.144 nan 8.150 nan 0.000 0.442 475 T N -0.559 113.918 114.554 -0.128 0.000 2.746 475 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 475 T C 1.610 176.260 174.700 -0.084 0.000 1.039 475 T CA 1.679 63.676 62.100 -0.171 0.000 1.142 475 T CB -0.415 68.285 68.868 -0.280 0.000 0.866 475 T HN 0.519 nan 8.240 nan 0.000 0.444 476 F N 2.101 121.944 119.950 -0.177 0.000 2.171 476 F HA 0.050 4.576 4.527 -0.001 0.000 0.300 476 F C 2.364 178.061 175.800 -0.170 0.000 1.090 476 F CA 0.933 58.786 58.000 -0.245 0.000 1.293 476 F CB -0.493 38.282 39.000 -0.375 0.000 1.013 476 F HN 0.131 nan 8.300 nan 0.000 0.486 477 A N 0.358 123.121 122.820 -0.096 0.000 1.930 477 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 477 A C 2.232 179.691 177.584 -0.208 0.000 1.175 477 A CA 1.753 53.689 52.037 -0.168 0.000 0.627 477 A CB -0.615 18.355 19.000 -0.050 0.000 0.815 477 A HN 0.476 nan 8.150 nan 0.000 0.443 478 K N -1.085 119.220 120.400 -0.160 0.000 2.031 478 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 478 K C 1.842 178.352 176.600 -0.151 0.000 1.049 478 K CA 1.760 57.973 56.287 -0.123 0.000 0.939 478 K CB -0.107 32.340 32.500 -0.088 0.000 0.717 478 K HN 0.665 nan 8.250 nan 0.000 0.438 479 T N -4.314 110.120 114.554 -0.200 0.000 3.043 479 T HA 0.250 4.600 4.350 -0.001 0.000 0.272 479 T C 1.109 175.653 174.700 -0.260 0.000 0.990 479 T CA 0.360 62.349 62.100 -0.184 0.000 0.897 479 T CB 1.072 69.868 68.868 -0.120 0.000 1.111 479 T HN 0.302 nan 8.240 nan 0.000 0.529 480 G N 1.614 110.108 108.800 -0.509 0.000 2.159 480 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.256 480 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.256 480 G C -0.166 174.530 174.900 -0.340 0.000 0.977 480 G CA 0.113 44.841 45.100 -0.620 0.000 0.652 480 G HN 0.919 nan 8.290 nan 0.000 0.531 481 N N -0.412 118.116 118.700 -0.286 0.000 2.425 481 N HA 0.417 5.156 4.740 -0.001 0.000 0.289 481 N C -1.519 173.813 175.510 -0.297 0.000 1.074 481 N CA -1.462 51.408 53.050 -0.300 0.000 0.905 481 N CB 2.343 40.775 38.487 -0.091 0.000 1.586 481 N HN -0.072 nan 8.380 nan 0.000 0.490 482 P HA -0.077 nan 4.420 nan 0.000 0.218 482 P C -0.338 177.019 177.300 0.096 0.000 1.149 482 P CA 0.846 63.797 63.100 -0.248 0.000 0.817 482 P CB 0.225 31.490 31.700 -0.725 0.000 0.785 483 N N 1.372 120.098 118.700 0.042 0.000 2.513 483 N HA 0.068 4.807 4.740 -0.001 0.000 0.268 483 N C 0.463 176.048 175.510 0.126 0.000 1.180 483 N CA 0.227 53.389 53.050 0.187 0.000 0.948 483 N CB 1.020 39.606 38.487 0.165 0.000 1.083 483 N HN 0.221 nan 8.380 nan 0.000 0.455 491 K N 1.211 121.726 120.400 0.191 0.000 2.205 491 K HA 0.386 4.706 4.320 -0.001 0.000 0.279 491 K C -1.253 175.534 176.600 0.312 0.000 1.027 491 K CA -0.247 56.189 56.287 0.249 0.000 0.932 491 K CB 0.580 33.199 32.500 0.198 0.000 1.032 491 K HN 0.472 nan 8.250 nan 0.000 0.466 492 W N 7.227 128.605 121.300 0.130 0.000 2.507 492 W HA 0.308 4.968 4.660 -0.001 0.000 0.334 492 W C -2.626 174.030 176.519 0.228 0.000 1.165 492 W CA -3.114 54.295 57.345 0.107 0.000 1.460 492 W CB -0.463 28.946 29.460 -0.086 0.000 1.404 492 W HN 0.500 nan 8.180 nan 0.000 0.435 493 P HA -0.070 nan 4.420 nan 0.000 0.268 493 P C -0.251 177.250 177.300 0.335 0.000 1.208 493 P CA -0.280 63.042 63.100 0.369 0.000 0.777 493 P CB 0.647 32.489 31.700 0.236 0.000 0.875 494 L N 3.223 124.502 121.223 0.093 0.000 2.456 494 L HA 0.251 4.590 4.340 -0.001 0.000 0.272 494 L C -0.341 176.511 176.870 -0.030 0.000 1.189 494 L CA -0.176 54.532 54.840 -0.221 0.000 0.846 494 L CB -0.620 41.325 42.059 -0.189 0.000 1.111 494 L HN 0.210 nan 8.230 nan 0.000 0.475 495 F N 4.011 123.855 119.950 -0.177 0.000 2.424 495 F HA 0.508 5.034 4.527 -0.001 0.000 0.356 495 F C 0.209 175.988 175.800 -0.034 0.000 1.110 495 F CA -0.258 57.737 58.000 -0.007 0.000 1.161 495 F CB 0.689 39.723 39.000 0.056 0.000 1.115 495 F HN 0.629 nan 8.300 nan 0.000 0.507 496 T N 0.795 114.965 114.554 -0.639 0.000 2.908 496 T HA 0.273 4.623 4.350 -0.001 0.000 0.290 496 T C 1.034 175.306 174.700 -0.713 0.000 1.034 496 T CA -0.028 61.791 62.100 -0.468 0.000 1.010 496 T CB 1.395 70.118 68.868 -0.243 0.000 1.068 496 T HN 0.680 nan 8.240 nan 0.000 0.481 497 T N -1.408 112.933 114.554 -0.355 0.000 2.881 497 T HA -0.021 4.329 4.350 -0.001 0.000 0.270 497 T C 2.140 176.720 174.700 -0.199 0.000 1.068 497 T CA 1.449 63.411 62.100 -0.230 0.000 1.131 497 T CB -0.805 68.014 68.868 -0.082 0.000 0.871 497 T HN 0.898 nan 8.240 nan 0.000 0.479 498 K N 1.469 121.759 120.400 -0.183 0.000 2.067 498 K HA 0.130 4.449 4.320 -0.001 0.000 0.203 498 K C 2.225 178.750 176.600 -0.125 0.000 1.048 498 K CA 1.175 57.391 56.287 -0.119 0.000 0.954 498 K CB -0.660 31.787 32.500 -0.089 0.000 0.737 498 K HN 0.438 nan 8.250 nan 0.000 0.444 499 E N 0.277 120.375 120.200 -0.171 0.000 2.276 499 E HA -0.035 4.314 4.350 -0.001 0.000 0.193 499 E C 0.011 176.521 176.600 -0.150 0.000 0.983 499 E CA 0.329 56.654 56.400 -0.125 0.000 0.861 499 E CB 0.497 30.139 29.700 -0.096 0.000 0.817 499 E HN 0.570 nan 8.360 nan 0.000 0.485 500 Q N 0.493 120.057 119.800 -0.394 0.000 2.461 500 Q HA -0.214 4.125 4.340 -0.001 0.000 0.273 500 Q C -0.433 175.657 176.000 0.150 0.000 1.163 500 Q CA 0.883 56.452 55.803 -0.389 0.000 0.929 500 Q CB -2.062 26.693 28.738 0.028 0.000 1.334 500 Q HN 0.338 nan 8.270 nan 0.000 0.499 501 K N 0.496 120.958 120.400 0.103 0.000 2.258 501 K HA 0.505 4.824 4.320 -0.001 0.000 0.264 501 K C 0.294 177.211 176.600 0.528 0.000 1.007 501 K CA 0.340 56.769 56.287 0.236 0.000 0.941 501 K CB 0.327 32.891 32.500 0.106 0.000 0.966 501 K HN 0.176 nan 8.250 nan 0.000 0.480 502 F N -0.944 119.173 119.950 0.278 0.000 2.711 502 F HA 0.592 5.118 4.527 -0.001 0.000 0.313 502 F C -1.160 174.735 175.800 0.159 0.000 1.141 502 F CA -1.590 56.591 58.000 0.302 0.000 0.941 502 F CB 0.599 39.777 39.000 0.296 0.000 1.349 502 F HN 0.404 nan 8.300 nan 0.000 0.464 503 I N -0.993 119.661 120.570 0.140 0.000 2.846 503 I HA 0.645 4.814 4.170 -0.001 0.000 0.307 503 I C -1.135 175.110 176.117 0.213 0.000 1.053 503 I CA -0.850 60.391 61.300 -0.098 0.000 1.050 503 I CB 1.889 39.614 38.000 -0.457 0.000 1.239 503 I HN 0.435 nan 8.210 nan 0.000 0.439 504 D N 3.911 124.428 120.400 0.195 0.000 2.225 504 D HA 0.480 5.120 4.640 -0.001 0.000 0.249 504 D C -0.688 175.703 176.300 0.153 0.000 1.052 504 D CA 0.082 54.273 54.000 0.318 0.000 0.909 504 D CB 2.329 43.318 40.800 0.315 0.000 1.186 504 D HN 0.450 nan 8.370 nan 0.000 0.431 505 L N 2.929 124.250 121.223 0.163 0.000 2.366 505 L HA 0.283 4.622 4.340 -0.001 0.000 0.266 505 L C -0.534 176.272 176.870 -0.106 0.000 1.010 505 L CA -0.607 54.286 54.840 0.089 0.000 0.879 505 L CB 0.327 42.528 42.059 0.236 0.000 1.228 505 L HN 0.424 nan 8.230 nan 0.000 0.439 506 N N -1.200 117.443 118.700 -0.095 0.000 3.020 506 N HA 0.178 4.917 4.740 -0.001 0.000 0.248 506 N C 0.468 175.883 175.510 -0.158 0.000 1.480 506 N CA -0.426 52.510 53.050 -0.190 0.000 0.874 506 N CB 0.631 39.068 38.487 -0.084 0.000 1.433 506 N HN 0.123 nan 8.380 nan 0.000 0.530 507 T N -3.862 110.557 114.554 -0.224 0.000 3.077 507 T HA 0.013 4.363 4.350 -0.001 0.000 0.269 507 T C 0.135 174.810 174.700 -0.042 0.000 1.146 507 T CA 0.611 62.620 62.100 -0.152 0.000 1.091 507 T CB -0.569 68.199 68.868 -0.167 0.000 0.892 507 T HN 0.445 nan 8.240 nan 0.000 0.533 508 E N 1.681 121.875 120.200 -0.010 0.000 2.280 508 E HA 0.397 4.747 4.350 -0.001 0.000 0.264 508 E C -2.847 173.765 176.600 0.021 0.000 1.064 508 E CA -2.215 54.196 56.400 0.018 0.000 0.900 508 E CB 0.358 30.081 29.700 0.039 0.000 1.123 508 E HN 0.320 nan 8.360 nan 0.000 0.418 509 P HA -0.003 nan 4.420 nan 0.000 0.260 509 P C 0.205 177.524 177.300 0.032 0.000 1.207 509 P CA 0.254 63.371 63.100 0.029 0.000 0.780 509 P CB -0.274 31.441 31.700 0.026 0.000 0.789 510 M N 2.384 122.008 119.600 0.041 0.000 2.199 510 M HA -0.016 4.464 4.480 -0.001 0.000 0.346 510 M C -0.748 175.543 176.300 -0.015 0.000 1.120 510 M CA 0.927 56.245 55.300 0.030 0.000 0.932 510 M CB 0.086 32.717 32.600 0.053 0.000 1.724 510 M HN -0.068 nan 8.290 nan 0.000 0.465 511 K N 3.427 123.786 120.400 -0.068 0.000 2.375 511 K HA 0.730 5.050 4.320 -0.001 0.000 0.249 511 K C -1.142 175.173 176.600 -0.475 0.000 0.942 511 K CA -0.902 55.248 56.287 -0.227 0.000 0.806 511 K CB 2.419 34.794 32.500 -0.209 0.000 1.227 511 K HN 0.629 nan 8.250 nan 0.000 0.430 512 V N 3.346 122.938 119.914 -0.536 0.000 2.427 512 V HA 0.442 4.562 4.120 -0.001 0.000 0.286 512 V C -0.144 175.448 176.094 -0.836 0.000 1.034 512 V CA -0.520 61.459 62.300 -0.536 0.000 0.893 512 V CB 0.881 32.563 31.823 -0.235 0.000 0.982 512 V HN 0.793 nan 8.190 nan 0.000 0.452 513 H N 3.317 122.003 119.070 -0.639 0.000 2.824 513 H HA 0.644 5.200 4.556 -0.001 0.000 0.345 513 H C -1.031 174.003 175.328 -0.490 0.000 1.252 513 H CA -0.862 54.796 56.048 -0.651 0.000 1.246 513 H CB 2.147 31.395 29.762 -0.855 0.000 1.908 513 H HN 0.550 nan 8.280 nan 0.000 0.601 514 Q N 0.353 120.198 119.800 0.075 0.000 2.397 514 Q HA 0.384 4.723 4.340 -0.001 0.000 0.275 514 Q C -0.666 175.593 176.000 0.432 0.000 1.090 514 Q CA -0.908 55.053 55.803 0.264 0.000 0.809 514 Q CB 2.851 31.663 28.738 0.124 0.000 1.362 514 Q HN 0.483 nan 8.270 nan 0.000 0.431 515 R N 0.872 121.625 120.500 0.422 0.000 3.084 515 R HA -0.201 4.139 4.340 -0.001 0.000 0.258 515 R C -0.714 175.720 176.300 0.222 0.000 0.914 515 R CA -0.178 56.094 56.100 0.286 0.000 0.646 515 R CB -1.471 28.941 30.300 0.186 0.000 1.330 515 R HN 0.472 nan 8.270 nan 0.000 0.465 516 L N 2.325 123.578 121.223 0.051 0.000 2.615 516 L HA 0.003 4.342 4.340 -0.001 0.000 0.271 516 L C 0.824 177.643 176.870 -0.084 0.000 1.183 516 L CA 0.738 55.404 54.840 -0.290 0.000 0.933 516 L CB -0.022 41.575 42.059 -0.769 0.000 1.199 516 L HN 0.453 nan 8.230 nan 0.000 0.487 517 R N 2.412 122.884 120.500 -0.047 0.000 3.225 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.245 517 R C 1.171 177.531 176.300 0.100 0.000 0.928 517 R CA 0.506 56.631 56.100 0.041 0.000 0.632 517 R CB -1.822 28.521 30.300 0.072 0.000 1.038 517 R HN 0.715 nan 8.270 nan 0.000 0.461 518 V N -1.002 118.970 119.914 0.096 0.000 2.231 518 V HA -0.377 3.743 4.120 -0.001 0.000 0.248 518 V C 2.358 178.527 176.094 0.125 0.000 1.054 518 V CA 2.261 64.631 62.300 0.116 0.000 1.015 518 V CB -0.552 31.333 31.823 0.102 0.000 0.638 518 V HN 0.401 nan 8.190 nan 0.000 0.444 519 Q N -0.453 119.401 119.800 0.091 0.000 2.047 519 Q HA -0.244 4.095 4.340 -0.001 0.000 0.211 519 Q C 2.190 178.256 176.000 0.110 0.000 1.005 519 Q CA 2.438 58.281 55.803 0.067 0.000 0.866 519 Q CB -0.387 28.360 28.738 0.015 0.000 0.938 519 Q HN 0.532 nan 8.270 nan 0.000 0.414 520 M N -1.103 118.583 119.600 0.143 0.000 2.117 520 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 520 M C 2.431 179.021 176.300 0.483 0.000 1.065 520 M CA 1.113 56.586 55.300 0.287 0.000 1.114 520 M CB -1.369 31.455 32.600 0.374 0.000 1.361 520 M HN 0.352 nan 8.290 nan 0.000 0.408 521 c N -0.363 118.462 118.600 0.375 0.000 2.446 521 c HA -0.020 4.550 4.570 -0.001 0.000 0.279 521 c C 2.973 177.243 174.090 0.300 0.000 1.366 521 c CA 0.176 56.733 56.329 0.380 0.000 1.763 521 c CB -0.926 41.736 42.510 0.254 0.000 1.929 521 c HN 0.335 nan 8.230 nan 0.000 0.509 522 V N 0.698 120.752 119.914 0.234 0.000 2.407 522 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 522 V C 2.061 178.273 176.094 0.196 0.000 1.055 522 V CA 2.220 64.630 62.300 0.184 0.000 1.049 522 V CB -0.801 31.105 31.823 0.139 0.000 0.662 522 V HN 0.573 nan 8.190 nan 0.000 0.455 523 F N 0.030 120.024 119.950 0.074 0.000 2.075 523 F HA -0.205 4.321 4.527 -0.001 0.000 0.297 523 F C 2.003 177.792 175.800 -0.017 0.000 1.113 523 F CA 1.828 59.819 58.000 -0.014 0.000 1.218 523 F CB -0.435 38.441 39.000 -0.206 0.000 0.984 523 F HN 0.165 nan 8.300 nan 0.000 0.472 524 W N 0.623 122.013 121.300 0.150 0.000 2.418 524 W HA -0.107 4.553 4.660 -0.001 0.000 0.292 524 W C 2.201 178.688 176.519 -0.054 0.000 1.213 524 W CA 0.935 58.287 57.345 0.012 0.000 1.283 524 W CB -0.535 29.055 29.460 0.218 0.000 1.119 524 W HN -0.011 nan 8.180 nan 0.000 0.542 525 N N -0.581 118.233 118.700 0.190 0.000 2.368 525 N HA -0.050 4.689 4.740 -0.001 0.000 0.176 525 N C 1.506 177.010 175.510 -0.011 0.000 1.021 525 N CA 1.101 54.176 53.050 0.042 0.000 0.888 525 N CB -0.252 38.270 38.487 0.058 0.000 0.995 525 N HN 0.385 nan 8.380 nan 0.000 0.437 526 Q N -1.009 118.808 119.800 0.028 0.000 2.514 526 Q HA 0.163 4.502 4.340 -0.001 0.000 0.208 526 Q C 1.390 177.380 176.000 -0.017 0.000 0.938 526 Q CA 0.080 55.897 55.803 0.023 0.000 0.892 526 Q CB -0.103 28.685 28.738 0.084 0.000 1.050 526 Q HN 0.143 nan 8.270 nan 0.000 0.595 527 F N 2.023 121.879 119.950 -0.158 0.000 2.074 527 F HA -0.140 4.387 4.527 -0.001 0.000 0.293 527 F C 2.037 177.643 175.800 -0.324 0.000 1.116 527 F CA 0.821 58.701 58.000 -0.200 0.000 1.212 527 F CB -0.240 38.672 39.000 -0.146 0.000 0.998 527 F HN 0.018 nan 8.300 nan 0.000 0.471 528 L N 1.335 122.184 121.223 -0.623 0.000 1.990 528 L HA -0.118 4.222 4.340 -0.001 0.000 0.213 528 L C -0.838 175.792 176.870 -0.401 0.000 1.072 528 L CA 2.301 56.740 54.840 -0.668 0.000 0.755 528 L CB -2.002 39.556 42.059 -0.835 0.000 0.889 528 L HN 0.008 nan 8.230 nan 0.000 0.432 529 P HA -0.223 nan 4.420 nan 0.000 0.216 529 P C 1.502 178.687 177.300 -0.192 0.000 1.153 529 P CA 1.710 64.720 63.100 -0.151 0.000 0.858 529 P CB -0.072 31.567 31.700 -0.102 0.000 0.789 530 K N -0.800 119.443 120.400 -0.263 0.000 2.057 530 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 530 K C 1.945 178.355 176.600 -0.317 0.000 1.050 530 K CA 0.917 57.052 56.287 -0.254 0.000 0.935 530 K CB -0.720 31.634 32.500 -0.244 0.000 0.715 530 K HN -0.069 nan 8.250 nan 0.000 0.439 531 L N 1.675 122.590 121.223 -0.513 0.000 1.989 531 L HA -0.175 4.165 4.340 -0.001 0.000 0.211 531 L C 1.928 178.658 176.870 -0.232 0.000 1.071 531 L CA 1.699 56.273 54.840 -0.444 0.000 0.749 531 L CB -0.653 41.065 42.059 -0.568 0.000 0.890 531 L HN 0.232 nan 8.230 nan 0.000 0.431 532 L N -0.876 120.232 121.223 -0.192 0.000 2.191 532 L HA -0.224 4.115 4.340 -0.001 0.000 0.212 532 L C 2.518 179.342 176.870 -0.076 0.000 1.103 532 L CA 1.369 56.147 54.840 -0.103 0.000 0.769 532 L CB -0.954 41.075 42.059 -0.050 0.000 0.908 532 L HN 0.404 nan 8.230 nan 0.000 0.438 533 N N -0.251 118.394 118.700 -0.092 0.000 2.207 533 N HA -0.051 4.688 4.740 -0.001 0.000 0.182 533 N C 1.974 177.446 175.510 -0.064 0.000 1.020 533 N CA 0.966 53.976 53.050 -0.066 0.000 0.858 533 N CB -0.005 38.441 38.487 -0.067 0.000 0.991 533 N HN 0.425 nan 8.380 nan 0.000 0.427 534 A N 0.568 123.336 122.820 -0.086 0.000 1.835 534 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 534 A C 1.850 179.403 177.584 -0.052 0.000 1.199 534 A CA 1.988 53.984 52.037 -0.069 0.000 0.615 534 A CB -1.901 17.048 19.000 -0.085 0.000 0.838 534 A HN 0.758 nan 8.150 nan 0.000 0.444 535 T N 0.000 114.518 114.554 -0.059 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 535 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658