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 1gqr_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 EPHSQESKWP 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 0.000 174.651 174.600 0.084 0.000 1.055 4 S CA 0.000 58.233 58.200 0.055 0.000 1.107 4 S CB 0.000 63.233 63.200 0.056 0.000 0.593 5 E N 3.409 123.663 120.200 0.091 0.000 2.204 5 E HA -0.030 4.320 4.350 -0.001 0.000 0.195 5 E C 1.033 177.764 176.600 0.218 0.000 0.990 5 E CA 1.105 57.587 56.400 0.136 0.000 0.821 5 E CB 0.007 29.776 29.700 0.114 0.000 0.750 5 E HN 0.778 nan 8.360 nan 0.000 0.477 6 L N 0.774 122.096 121.223 0.165 0.000 2.592 6 L HA 0.151 4.491 4.340 -0.001 0.000 0.227 6 L C 0.204 177.271 176.870 0.329 0.000 1.127 6 L CA -0.340 54.601 54.840 0.168 0.000 0.884 6 L CB 0.363 42.425 42.059 0.006 0.000 1.065 6 L HN 0.137 nan 8.230 nan 0.000 0.457 7 L N 0.640 122.023 121.223 0.266 0.000 2.305 7 L HA 0.551 4.890 4.340 -0.001 0.000 0.284 7 L C -0.689 176.267 176.870 0.143 0.000 1.013 7 L CA -0.340 54.641 54.840 0.234 0.000 0.819 7 L CB 1.656 43.795 42.059 0.133 0.000 1.227 7 L HN -0.328 nan 8.230 nan 0.000 0.417 8 V N 4.506 124.471 119.914 0.085 0.000 2.638 8 V HA 0.499 4.619 4.120 -0.001 0.000 0.306 8 V C -0.575 175.413 176.094 -0.177 0.000 1.052 8 V CA -0.813 61.361 62.300 -0.210 0.000 0.885 8 V CB 1.930 33.299 31.823 -0.757 0.000 0.999 8 V HN 0.771 nan 8.190 nan 0.000 0.424 9 N N 2.896 121.428 118.700 -0.280 0.000 2.426 9 N HA 0.589 5.329 4.740 -0.001 0.000 0.275 9 N C -0.205 174.957 175.510 -0.581 0.000 1.019 9 N CA -0.077 52.785 53.050 -0.313 0.000 0.941 9 N CB 1.669 39.971 38.487 -0.309 0.000 1.123 9 N HN 0.934 nan 8.380 nan 0.000 0.486 10 T N -0.288 114.040 114.554 -0.376 0.000 2.927 10 T HA 0.403 4.753 4.350 -0.001 0.000 0.286 10 T C 0.962 175.446 174.700 -0.359 0.000 1.040 10 T CA -0.673 61.209 62.100 -0.364 0.000 1.010 10 T CB 1.184 70.087 68.868 0.059 0.000 1.177 10 T HN 0.373 nan 8.240 nan 0.000 0.546 11 K N 0.237 120.497 120.400 -0.232 0.000 2.442 11 K HA 0.025 4.345 4.320 -0.001 0.000 0.198 11 K C 1.764 178.234 176.600 -0.218 0.000 1.044 11 K CA 0.838 57.014 56.287 -0.186 0.000 0.948 11 K CB -0.074 32.371 32.500 -0.092 0.000 0.762 11 K HN 0.424 nan 8.250 nan 0.000 0.472 12 S N -0.465 115.076 115.700 -0.265 0.000 2.502 12 S HA 0.205 4.675 4.470 -0.001 0.000 0.215 12 S C 0.465 174.337 174.600 -1.213 0.000 1.009 12 S CA 0.205 58.116 58.200 -0.482 0.000 0.908 12 S CB 1.133 64.250 63.200 -0.138 0.000 0.801 12 S HN 0.534 nan 8.310 nan 0.000 0.505 13 G N 1.114 109.388 108.800 -0.877 0.000 2.369 13 G HA2 0.157 4.117 3.960 -0.001 0.000 0.307 13 G HA3 0.157 4.117 3.960 -0.001 0.000 0.307 13 G C -1.940 172.854 174.900 -0.176 0.000 1.327 13 G CA -1.186 43.379 45.100 -0.891 0.000 0.963 13 G HN 0.103 nan 8.290 nan 0.000 0.590 14 K N -0.432 120.044 120.400 0.127 0.000 2.218 14 K HA 0.598 4.917 4.320 -0.001 0.000 0.276 14 K C 0.305 177.256 176.600 0.587 0.000 1.022 14 K CA -0.481 55.967 56.287 0.269 0.000 0.946 14 K CB 1.834 34.447 32.500 0.188 0.000 1.000 14 K HN 1.024 nan 8.250 nan 0.000 0.468 15 V N -0.144 120.063 119.914 0.488 0.000 2.735 15 V HA 0.628 4.747 4.120 -0.001 0.000 0.310 15 V C -0.941 175.462 176.094 0.516 0.000 1.061 15 V CA -1.086 61.573 62.300 0.598 0.000 0.913 15 V CB 1.717 33.949 31.823 0.681 0.000 1.005 15 V HN 0.746 nan 8.190 nan 0.000 0.428 16 M N 4.634 124.504 119.600 0.451 0.000 2.046 16 M HA 0.811 5.291 4.480 -0.001 0.000 0.309 16 M C 0.255 176.673 176.300 0.196 0.000 0.935 16 M CA 0.084 55.572 55.300 0.312 0.000 0.915 16 M CB 0.676 33.378 32.600 0.169 0.000 1.474 16 M HN 1.116 nan 8.290 nan 0.000 0.415 17 G N 1.684 110.476 108.800 -0.013 0.000 2.546 17 G HA2 0.559 4.519 3.960 -0.001 0.000 0.239 17 G HA3 0.559 4.519 3.960 -0.001 0.000 0.239 17 G C -0.887 173.802 174.900 -0.351 0.000 1.476 17 G CA -0.123 44.641 45.100 -0.560 0.000 1.064 17 G HN 0.679 nan 8.290 nan 0.000 0.561 18 T N -1.633 112.673 114.554 -0.412 0.000 2.982 18 T HA 0.454 4.803 4.350 -0.001 0.000 0.321 18 T C -0.857 173.740 174.700 -0.171 0.000 1.229 18 T CA -0.675 61.293 62.100 -0.221 0.000 1.044 18 T CB 1.462 70.228 68.868 -0.170 0.000 1.184 18 T HN 0.546 nan 8.240 nan 0.000 0.477 19 R N 3.459 123.912 120.500 -0.078 0.000 2.288 19 R HA 0.563 4.903 4.340 -0.001 0.000 0.330 19 R C -0.937 175.405 176.300 0.071 0.000 1.069 19 R CA -0.247 55.858 56.100 0.007 0.000 0.941 19 R CB 0.030 30.336 30.300 0.009 0.000 0.998 19 R HN 0.445 nan 8.270 nan 0.000 0.452 20 V N 8.034 127.989 119.914 0.069 0.000 2.398 20 V HA 0.391 4.511 4.120 -0.001 0.000 0.286 20 V C -1.928 174.124 176.094 -0.069 0.000 1.026 20 V CA -2.009 60.305 62.300 0.022 0.000 0.868 20 V CB 1.584 33.416 31.823 0.015 0.000 0.982 20 V HN 0.830 nan 8.190 nan 0.000 0.443 21 P HA 0.288 nan 4.420 nan 0.000 0.279 21 P C -0.971 176.073 177.300 -0.427 0.000 1.239 21 P CA -0.083 62.607 63.100 -0.683 0.000 0.789 21 P CB 2.063 33.426 31.700 -0.562 0.000 0.933 22 V N 5.784 125.401 119.914 -0.495 0.000 2.653 22 V HA 0.181 4.301 4.120 -0.001 0.000 0.298 22 V C -0.084 175.685 176.094 -0.541 0.000 1.097 22 V CA -0.870 61.154 62.300 -0.461 0.000 0.908 22 V CB 0.715 32.232 31.823 -0.510 0.000 1.024 22 V HN 0.485 nan 8.190 nan 0.000 0.435 23 L N 6.571 127.638 121.223 -0.259 0.000 3.895 23 L HA -0.235 4.104 4.340 -0.001 0.000 0.511 23 L C 1.126 177.882 176.870 -0.190 0.000 1.222 23 L CA 1.117 55.855 54.840 -0.170 0.000 0.739 23 L CB -1.616 40.400 42.059 -0.072 0.000 1.425 23 L HN 1.702 nan 8.230 nan 0.000 0.817 24 S N -3.369 112.236 115.700 -0.158 0.000 3.127 24 S HA -0.262 4.207 4.470 -0.001 0.000 0.281 24 S C 0.323 174.876 174.600 -0.078 0.000 1.293 24 S CA 1.441 59.588 58.200 -0.088 0.000 1.156 24 S CB -1.085 62.105 63.200 -0.016 0.000 1.389 24 S HN 1.009 nan 8.310 nan 0.000 0.672 25 S N -0.350 115.220 115.700 -0.216 0.000 3.081 25 S HA 0.879 5.348 4.470 -0.001 0.000 0.316 25 S C -1.055 173.411 174.600 -0.223 0.000 1.089 25 S CA -0.252 57.899 58.200 -0.081 0.000 0.897 25 S CB 1.248 64.430 63.200 -0.029 0.000 1.358 25 S HN 0.709 nan 8.310 nan 0.000 0.678 26 H N -0.652 118.379 119.070 -0.066 0.000 3.037 26 H HA 0.721 5.277 4.556 -0.001 0.000 0.355 26 H C -0.727 174.629 175.328 0.047 0.000 1.263 26 H CA -0.253 55.773 56.048 -0.035 0.000 1.129 26 H CB 1.435 31.192 29.762 -0.008 0.000 1.861 26 H HN 0.720 nan 8.280 nan 0.000 0.546 27 I N -2.280 118.396 120.570 0.176 0.000 3.279 27 I HA 0.692 4.861 4.170 -0.001 0.000 0.315 27 I C -1.034 175.171 176.117 0.146 0.000 1.225 27 I CA -1.003 60.414 61.300 0.196 0.000 0.947 27 I CB 2.474 40.618 38.000 0.239 0.000 1.293 27 I HN 0.375 nan 8.210 nan 0.000 0.468 28 S N 1.407 117.198 115.700 0.153 0.000 2.585 28 S HA 0.826 5.296 4.470 -0.001 0.000 0.277 28 S C -0.288 174.276 174.600 -0.060 0.000 1.241 28 S CA -0.484 57.722 58.200 0.010 0.000 1.041 28 S CB 1.505 64.778 63.200 0.122 0.000 0.987 28 S HN 0.871 nan 8.310 nan 0.000 0.512 29 A N 2.177 124.773 122.820 -0.374 0.000 2.385 29 A HA 0.704 5.024 4.320 -0.001 0.000 0.290 29 A C -1.287 175.935 177.584 -0.603 0.000 1.094 29 A CA -0.630 51.133 52.037 -0.456 0.000 0.729 29 A CB 0.328 19.081 19.000 -0.412 0.000 1.194 29 A HN 0.651 nan 8.150 nan 0.000 0.442 30 F N 3.407 123.232 119.950 -0.208 0.000 2.291 30 F HA 0.429 4.956 4.527 -0.001 0.000 0.368 30 F C 0.027 175.719 175.800 -0.181 0.000 1.085 30 F CA -0.380 57.580 58.000 -0.066 0.000 1.165 30 F CB 0.890 39.956 39.000 0.110 0.000 1.429 30 F HN 0.366 nan 8.300 nan 0.000 0.503 31 L N 2.134 123.307 121.223 -0.085 0.000 2.325 31 L HA 0.638 4.977 4.340 -0.001 0.000 0.279 31 L C 1.050 177.965 176.870 0.076 0.000 1.054 31 L CA -0.858 53.937 54.840 -0.075 0.000 0.804 31 L CB 1.304 43.236 42.059 -0.210 0.000 1.200 31 L HN 0.816 nan 8.230 nan 0.000 0.436 32 G N 3.211 112.084 108.800 0.122 0.000 2.225 32 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.264 32 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.264 32 G C -0.132 174.885 174.900 0.194 0.000 1.060 32 G CA -0.354 44.821 45.100 0.125 0.000 0.833 32 G HN 0.501 nan 8.290 nan 0.000 0.498 33 I N 2.115 122.721 120.570 0.059 0.000 2.396 33 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 33 I C -1.369 174.555 176.117 -0.322 0.000 1.056 33 I CA -2.172 58.981 61.300 -0.245 0.000 1.365 33 I CB 1.075 38.907 38.000 -0.280 0.000 1.407 33 I HN -0.006 nan 8.210 nan 0.000 0.509 34 P HA 0.021 nan 4.420 nan 0.000 0.276 34 P C -0.278 176.659 177.300 -0.606 0.000 1.235 34 P CA 0.032 62.661 63.100 -0.785 0.000 0.772 34 P CB 0.618 31.762 31.700 -0.927 0.000 0.871 35 F N 1.100 120.718 119.950 -0.554 0.000 2.706 35 F HA 0.742 5.268 4.527 -0.001 0.000 0.313 35 F C -0.059 175.643 175.800 -0.162 0.000 1.096 35 F CA -0.994 56.755 58.000 -0.417 0.000 1.219 35 F CB 0.078 38.832 39.000 -0.409 0.000 1.051 35 F HN 0.388 nan 8.300 nan 0.000 0.568 36 A N -0.087 122.465 122.820 -0.446 0.000 2.610 36 A HA 0.586 4.905 4.320 -0.001 0.000 0.291 36 A C -1.029 176.384 177.584 -0.285 0.000 1.086 36 A CA -0.802 51.090 52.037 -0.242 0.000 0.677 36 A CB 0.971 19.825 19.000 -0.244 0.000 1.278 36 A HN 0.051 nan 8.150 nan 0.000 0.414 37 E N 0.966 121.086 120.200 -0.134 0.000 2.373 37 E HA 0.291 4.641 4.350 -0.001 0.000 0.267 37 E C -2.350 174.163 176.600 -0.145 0.000 1.032 37 E CA -1.421 54.917 56.400 -0.103 0.000 0.889 37 E CB 0.242 29.925 29.700 -0.029 0.000 0.984 37 E HN 0.229 nan 8.360 nan 0.000 0.425 38 P HA -0.022 nan 4.420 nan 0.000 0.258 38 P C -2.077 175.172 177.300 -0.085 0.000 1.187 38 P CA -0.564 62.468 63.100 -0.114 0.000 0.767 38 P CB 0.033 31.705 31.700 -0.046 0.000 0.770 39 P HA -0.026 nan 4.420 nan 0.000 0.261 39 P C -0.011 177.242 177.300 -0.078 0.000 1.650 39 P CA 0.221 63.277 63.100 -0.073 0.000 0.846 39 P CB -0.198 31.461 31.700 -0.067 0.000 1.758 40 V N -3.698 116.176 119.914 -0.067 0.000 2.973 40 V HA 0.836 4.955 4.120 -0.001 0.000 0.314 40 V C 1.011 177.071 176.094 -0.056 0.000 1.066 40 V CA 0.215 62.475 62.300 -0.066 0.000 1.021 40 V CB 0.454 32.248 31.823 -0.048 0.000 1.076 40 V HN 0.491 nan 8.190 nan 0.000 0.462 41 G N 1.560 110.326 108.800 -0.057 0.000 2.556 41 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.283 41 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.283 41 G C 0.873 175.746 174.900 -0.046 0.000 1.177 41 G CA 1.301 46.377 45.100 -0.040 0.000 0.978 41 G HN 2.032 nan 8.290 nan 0.000 0.554 42 N N -0.237 118.455 118.700 -0.013 0.000 2.520 42 N HA 0.138 4.878 4.740 -0.001 0.000 0.185 42 N C 2.231 177.738 175.510 -0.004 0.000 1.068 42 N CA 2.251 55.305 53.050 0.007 0.000 0.911 42 N CB -0.393 38.112 38.487 0.030 0.000 0.961 42 N HN 0.592 nan 8.380 nan 0.000 0.446 43 M N -0.154 119.431 119.600 -0.026 0.000 2.558 43 M HA 0.072 4.551 4.480 -0.001 0.000 0.255 43 M C 1.129 177.391 176.300 -0.063 0.000 1.113 43 M CA 0.133 55.417 55.300 -0.026 0.000 1.097 43 M CB -0.469 32.115 32.600 -0.027 0.000 1.426 43 M HN 0.358 nan 8.290 nan 0.000 0.488 44 R N 0.717 121.127 120.500 -0.150 0.000 2.502 44 R HA -0.060 4.280 4.340 -0.001 0.000 0.292 44 R C -0.343 175.752 176.300 -0.342 0.000 0.998 44 R CA 0.584 56.471 56.100 -0.355 0.000 1.056 44 R CB 0.147 30.096 30.300 -0.585 0.000 0.939 44 R HN 0.196 nan 8.270 nan 0.000 0.411 45 F N -0.225 119.727 119.950 0.005 0.000 2.502 45 F HA -0.279 4.248 4.527 -0.001 0.000 0.480 45 F C 0.481 176.261 175.800 -0.033 0.000 0.543 45 F CA 0.772 58.748 58.000 -0.040 0.000 1.350 45 F CB -1.408 37.554 39.000 -0.064 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.289 121.864 120.500 0.125 0.000 2.577 46 R HA 0.531 4.871 4.340 -0.001 0.000 0.269 46 R C 0.613 176.943 176.300 0.050 0.000 1.084 46 R CA -0.862 55.284 56.100 0.077 0.000 1.163 46 R CB 0.557 30.888 30.300 0.051 0.000 1.100 46 R HN 0.107 nan 8.270 nan 0.000 0.547 47 R N 1.938 122.465 120.500 0.045 0.000 2.679 47 R HA 0.074 4.414 4.340 -0.001 0.000 0.268 47 R C -1.912 174.414 176.300 0.044 0.000 1.044 47 R CA -1.062 55.065 56.100 0.045 0.000 1.105 47 R CB -0.093 30.238 30.300 0.052 0.000 0.989 47 R HN 0.404 nan 8.270 nan 0.000 0.447 48 P HA 0.031 nan 4.420 nan 0.000 0.276 48 P C -0.883 176.454 177.300 0.062 0.000 1.230 48 P CA 0.115 63.250 63.100 0.057 0.000 0.776 48 P CB 0.926 32.688 31.700 0.105 0.000 0.888 49 E N 3.538 123.762 120.200 0.041 0.000 2.204 49 E HA 0.402 4.752 4.350 -0.001 0.000 0.276 49 E C -2.249 174.387 176.600 0.061 0.000 0.974 49 E CA -2.378 54.051 56.400 0.048 0.000 0.815 49 E CB 0.390 30.109 29.700 0.032 0.000 1.119 49 E HN 0.323 nan 8.360 nan 0.000 0.393 50 P HA -0.013 nan 4.420 nan 0.000 0.269 50 P C -0.405 176.955 177.300 0.101 0.000 1.209 50 P CA -0.162 63.012 63.100 0.124 0.000 0.776 50 P CB 0.448 32.224 31.700 0.126 0.000 0.876 51 K N 3.412 123.887 120.400 0.124 0.000 2.378 51 K HA 0.055 4.374 4.320 -0.001 0.000 0.288 51 K C -0.337 176.368 176.600 0.174 0.000 1.057 51 K CA 0.266 56.620 56.287 0.112 0.000 0.971 51 K CB -0.391 32.169 32.500 0.099 0.000 0.975 51 K HN 0.208 nan 8.250 nan 0.000 0.475 52 K N 6.880 127.369 120.400 0.149 0.000 2.472 52 K HA 0.033 4.353 4.320 -0.001 0.000 0.280 52 K C -1.986 174.734 176.600 0.199 0.000 1.028 52 K CA -1.203 55.169 56.287 0.142 0.000 1.045 52 K CB -0.042 32.533 32.500 0.126 0.000 0.902 52 K HN 0.592 nan 8.250 nan 0.000 0.478 53 P HA -0.102 nan 4.420 nan 0.000 0.266 53 P C -1.096 176.252 177.300 0.079 0.000 1.193 53 P CA 0.088 63.139 63.100 -0.082 0.000 0.770 53 P CB 0.263 31.867 31.700 -0.159 0.000 0.836 54 W N 0.234 121.611 121.300 0.129 0.000 2.639 54 W HA 0.736 5.396 4.660 -0.001 0.000 0.347 54 W C -0.386 176.211 176.519 0.131 0.000 1.067 54 W CA -1.022 56.417 57.345 0.157 0.000 1.218 54 W CB -0.007 29.614 29.460 0.268 0.000 1.393 54 W HN 0.416 nan 8.180 nan 0.000 0.557 55 S N 1.846 117.735 115.700 0.315 0.000 2.585 55 S HA 0.797 5.267 4.470 -0.001 0.000 0.277 55 S C 0.537 175.319 174.600 0.303 0.000 1.241 55 S CA -0.007 58.312 58.200 0.199 0.000 1.041 55 S CB 0.306 63.586 63.200 0.133 0.000 0.987 55 S HN 2.086 nan 8.310 nan 0.000 0.512 56 G N -0.384 108.551 108.800 0.225 0.000 2.725 56 G HA2 0.065 4.024 3.960 -0.001 0.000 0.220 56 G HA3 0.065 4.024 3.960 -0.001 0.000 0.220 56 G C -0.535 174.576 174.900 0.351 0.000 1.357 56 G CA -0.270 44.967 45.100 0.229 0.000 0.866 56 G HN 1.593 nan 8.290 nan 0.000 0.548 57 V N 1.127 121.199 119.914 0.263 0.000 2.439 57 V HA 0.505 4.625 4.120 -0.001 0.000 0.282 57 V C 0.446 176.692 176.094 0.254 0.000 1.039 57 V CA -0.478 62.005 62.300 0.305 0.000 0.913 57 V CB 1.722 33.656 31.823 0.185 0.000 0.983 57 V HN 0.684 nan 8.190 nan 0.000 0.460 58 W N 5.158 126.573 121.300 0.192 0.000 2.322 58 W HA 0.271 4.931 4.660 -0.001 0.000 0.307 58 W C 0.148 176.673 176.519 0.011 0.000 1.220 58 W CA -0.573 56.722 57.345 -0.083 0.000 1.210 58 W CB 1.030 30.288 29.460 -0.337 0.000 1.223 58 W HN 0.621 nan 8.180 nan 0.000 0.511 59 N N 4.547 123.013 118.700 -0.390 0.000 2.402 59 N HA 0.207 4.946 4.740 -0.001 0.000 0.259 59 N C -0.248 175.269 175.510 0.012 0.000 1.167 59 N CA 0.181 53.130 53.050 -0.168 0.000 0.949 59 N CB 0.811 39.134 38.487 -0.273 0.000 1.212 59 N HN 0.357 nan 8.380 nan 0.000 0.493 60 A N 2.625 125.570 122.820 0.208 0.000 3.159 60 A HA 0.194 4.513 4.320 -0.001 0.000 0.301 60 A C 1.073 178.672 177.584 0.025 0.000 1.271 60 A CA -0.340 51.840 52.037 0.238 0.000 0.998 60 A CB -0.522 18.726 19.000 0.415 0.000 1.101 60 A HN 0.628 nan 8.150 nan 0.000 0.610 61 S N -0.992 114.683 115.700 -0.043 0.000 2.511 61 S HA 0.154 4.624 4.470 -0.001 0.000 0.214 61 S C 0.780 175.292 174.600 -0.146 0.000 0.997 61 S CA 0.601 58.732 58.200 -0.116 0.000 0.908 61 S CB -0.228 62.911 63.200 -0.102 0.000 0.803 61 S HN 0.815 nan 8.310 nan 0.000 0.504 62 T N -0.956 113.528 114.554 -0.115 0.000 2.903 62 T HA 0.629 4.979 4.350 -0.001 0.000 0.299 62 T C -0.901 173.774 174.700 -0.042 0.000 1.093 62 T CA -0.766 61.261 62.100 -0.122 0.000 1.002 62 T CB 0.754 69.572 68.868 -0.083 0.000 1.127 62 T HN 0.044 nan 8.240 nan 0.000 0.488 63 Y N 2.972 123.246 120.300 -0.043 0.000 2.683 63 Y HA 0.299 4.849 4.550 -0.001 0.000 0.340 63 Y C -1.398 174.450 175.900 -0.085 0.000 1.245 63 Y CA -1.367 56.713 58.100 -0.034 0.000 1.485 63 Y CB 0.043 38.503 38.460 0.001 0.000 1.328 63 Y HN 0.547 nan 8.280 nan 0.000 0.603 64 P HA 0.144 nan 4.420 nan 0.000 0.282 64 P C -0.946 176.295 177.300 -0.099 0.000 1.287 64 P CA -0.571 62.438 63.100 -0.152 0.000 0.792 64 P CB 1.122 32.666 31.700 -0.261 0.000 1.163 65 N N -0.498 118.118 118.700 -0.141 0.000 2.444 65 N HA 0.106 4.846 4.740 -0.001 0.000 0.255 65 N C 0.029 175.512 175.510 -0.045 0.000 1.255 65 N CA -0.147 52.856 53.050 -0.078 0.000 0.933 65 N CB 0.068 38.515 38.487 -0.068 0.000 1.143 65 N HN 0.414 nan 8.380 nan 0.000 0.453 66 N N -0.406 118.256 118.700 -0.063 0.000 2.489 66 N HA 0.319 5.059 4.740 -0.001 0.000 0.284 66 N C -0.793 174.674 175.510 -0.072 0.000 1.158 66 N CA -0.760 52.245 53.050 -0.074 0.000 0.965 66 N CB 1.000 39.419 38.487 -0.115 0.000 1.195 66 N HN 0.390 nan 8.380 nan 0.000 0.506 67 c N 1.294 119.852 118.600 -0.071 0.000 2.689 67 c HA 0.057 4.627 4.570 -0.001 0.000 0.409 67 c C 0.579 174.580 174.090 -0.148 0.000 1.293 67 c CA -0.610 55.657 56.329 -0.104 0.000 2.136 67 c CB -0.059 42.418 42.510 -0.055 0.000 2.719 67 c HN 0.535 nan 8.230 nan 0.000 0.644 68 Q N 2.779 122.400 119.800 -0.297 0.000 2.263 68 Q HA 0.163 4.503 4.340 -0.001 0.000 0.289 68 Q C 0.017 175.968 176.000 -0.083 0.000 1.061 68 Q CA 1.055 56.669 55.803 -0.316 0.000 0.927 68 Q CB 0.269 28.535 28.738 -0.786 0.000 1.154 68 Q HN 0.899 nan 8.270 nan 0.000 0.378 69 Q N 1.517 121.361 119.800 0.075 0.000 2.575 69 Q HA 0.316 4.655 4.340 -0.001 0.000 0.290 69 Q C -1.324 174.848 176.000 0.288 0.000 0.963 69 Q CA -1.042 54.902 55.803 0.235 0.000 0.783 69 Q CB 0.796 29.632 28.738 0.163 0.000 1.467 69 Q HN 0.469 nan 8.270 nan 0.000 0.402 70 Y N 1.226 121.723 120.300 0.329 0.000 2.526 70 Y HA 0.384 4.934 4.550 -0.001 0.000 0.330 70 Y C -1.099 174.984 175.900 0.305 0.000 1.156 70 Y CA 0.110 58.435 58.100 0.376 0.000 1.419 70 Y CB 0.893 39.709 38.460 0.593 0.000 1.250 70 Y HN 0.432 nan 8.280 nan 0.000 0.540 71 V N 6.868 126.487 119.914 -0.490 0.000 2.398 71 V HA 0.115 4.235 4.120 -0.001 0.000 0.286 71 V C -0.437 175.324 176.094 -0.555 0.000 1.026 71 V CA -0.993 61.102 62.300 -0.341 0.000 0.868 71 V CB 1.373 33.099 31.823 -0.162 0.000 0.982 71 V HN 0.769 nan 8.190 nan 0.000 0.443 72 D N 3.837 124.152 120.400 -0.141 0.000 2.401 72 D HA 0.100 4.740 4.640 -0.001 0.000 0.254 72 D C 0.524 176.868 176.300 0.074 0.000 1.192 72 D CA 0.422 54.475 54.000 0.088 0.000 0.885 72 D CB 0.878 41.872 40.800 0.324 0.000 1.147 72 D HN 0.685 nan 8.370 nan 0.000 0.478 73 E N 2.357 122.583 120.200 0.045 0.000 2.812 73 E HA 0.010 4.359 4.350 -0.001 0.000 0.211 73 E C 1.007 177.588 176.600 -0.031 0.000 0.986 73 E CA -0.260 56.153 56.400 0.022 0.000 1.119 73 E CB 0.632 30.319 29.700 -0.022 0.000 1.046 73 E HN 0.436 nan 8.360 nan 0.000 0.474 74 Q N -0.508 119.246 119.800 -0.076 0.000 2.135 74 Q HA -0.080 4.259 4.340 -0.001 0.000 0.204 74 Q C 0.003 175.518 176.000 -0.809 0.000 0.981 74 Q CA 1.199 56.684 55.803 -0.529 0.000 0.856 74 Q CB 0.183 28.420 28.738 -0.834 0.000 0.902 74 Q HN 0.224 nan 8.270 nan 0.000 0.425 75 F N 0.073 120.104 119.950 0.135 0.000 2.622 75 F HA 0.356 4.882 4.527 -0.001 0.000 0.338 75 F C -2.175 173.700 175.800 0.125 0.000 1.334 75 F CA -2.779 55.271 58.000 0.082 0.000 1.179 75 F CB 0.974 40.004 39.000 0.050 0.000 1.471 75 F HN -0.194 nan 8.300 nan 0.000 0.576 76 P HA 0.129 nan 4.420 nan 0.000 0.260 76 P C 1.027 178.406 177.300 0.132 0.000 1.172 76 P CA 1.382 64.552 63.100 0.116 0.000 0.760 76 P CB 0.657 32.391 31.700 0.056 0.000 0.773 77 G N 2.619 111.486 108.800 0.112 0.000 2.199 77 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.254 77 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.254 77 G C 0.014 174.985 174.900 0.119 0.000 0.982 77 G CA -0.455 44.695 45.100 0.083 0.000 0.632 77 G HN 0.528 nan 8.290 nan 0.000 0.529 78 F N 3.277 123.222 119.950 -0.009 0.000 2.445 78 F HA 0.526 5.053 4.527 -0.001 0.000 0.359 78 F C 1.687 177.420 175.800 -0.112 0.000 1.101 78 F CA -0.261 57.682 58.000 -0.095 0.000 1.177 78 F CB 1.139 40.075 39.000 -0.107 0.000 1.110 78 F HN 0.238 nan 8.300 nan 0.000 0.522 79 S N 3.561 118.899 115.700 -0.603 0.000 2.368 79 S HA -0.119 4.351 4.470 -0.001 0.000 0.225 79 S C 2.255 176.434 174.600 -0.703 0.000 1.030 79 S CA 0.997 58.865 58.200 -0.553 0.000 0.999 79 S CB -1.304 61.623 63.200 -0.456 0.000 0.844 79 S HN 0.811 nan 8.310 nan 0.000 0.459 80 G N 1.573 109.511 108.800 -1.437 0.000 2.475 80 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 80 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 80 G C 1.719 176.751 174.900 0.221 0.000 1.125 80 G CA 1.479 46.005 45.100 -0.956 0.000 0.755 80 G HN 0.827 nan 8.290 nan 0.000 0.565 81 S N -0.308 115.505 115.700 0.188 0.000 2.502 81 S HA 0.127 4.596 4.470 -0.001 0.000 0.228 81 S C 1.805 176.649 174.600 0.406 0.000 1.061 81 S CA 0.658 59.330 58.200 0.787 0.000 0.935 81 S CB -0.063 63.757 63.200 1.033 0.000 0.809 81 S HN 0.463 nan 8.310 nan 0.000 0.510 82 E N 2.080 122.360 120.200 0.134 0.000 2.347 82 E HA -0.007 4.342 4.350 -0.001 0.000 0.196 82 E C 1.971 178.496 176.600 -0.125 0.000 1.008 82 E CA 1.018 57.434 56.400 0.027 0.000 0.852 82 E CB -0.432 29.264 29.700 -0.007 0.000 0.783 82 E HN 0.818 nan 8.360 nan 0.000 0.505 83 M N -1.771 117.647 119.600 -0.303 0.000 2.549 83 M HA -0.035 4.445 4.480 -0.001 0.000 0.260 83 M C 0.925 176.794 176.300 -0.719 0.000 1.076 83 M CA 1.321 56.280 55.300 -0.569 0.000 1.090 83 M CB -0.309 31.828 32.600 -0.771 0.000 1.418 83 M HN 0.050 nan 8.290 nan 0.000 0.486 84 W N 0.663 121.889 121.300 -0.123 0.000 3.013 84 W HA 0.293 4.952 4.660 -0.001 0.000 0.280 84 W C 0.440 176.861 176.519 -0.163 0.000 1.249 84 W CA -0.971 56.264 57.345 -0.182 0.000 1.577 84 W CB 0.017 29.392 29.460 -0.143 0.000 1.057 84 W HN 0.088 nan 8.180 nan 0.000 0.613 85 N N 1.573 120.309 118.700 0.059 0.000 2.444 85 N HA 0.131 4.871 4.740 -0.001 0.000 0.255 85 N C -2.443 173.026 175.510 -0.069 0.000 1.255 85 N CA -1.349 51.707 53.050 0.010 0.000 0.933 85 N CB -0.175 38.323 38.487 0.017 0.000 1.143 85 N HN -0.350 nan 8.380 nan 0.000 0.453 86 P HA 0.047 nan 4.420 nan 0.000 0.265 86 P C 0.159 177.400 177.300 -0.099 0.000 1.193 86 P CA 0.094 63.132 63.100 -0.104 0.000 0.765 86 P CB 0.316 31.965 31.700 -0.084 0.000 0.823 87 N N 2.110 120.739 118.700 -0.118 0.000 2.235 87 N HA 0.085 4.825 4.740 -0.001 0.000 0.231 87 N C -0.070 175.398 175.510 -0.071 0.000 1.177 87 N CA -0.129 52.863 53.050 -0.097 0.000 0.874 87 N CB 0.405 38.822 38.487 -0.116 0.000 1.097 87 N HN 0.149 nan 8.380 nan 0.000 0.518 88 R N -0.554 119.901 120.500 -0.075 0.000 2.855 88 R HA 0.346 4.685 4.340 -0.001 0.000 0.266 88 R C -0.769 175.496 176.300 -0.058 0.000 1.034 88 R CA -0.664 55.403 56.100 -0.056 0.000 0.944 88 R CB 0.327 30.591 30.300 -0.060 0.000 1.219 88 R HN -0.007 nan 8.270 nan 0.000 0.474 89 E N 1.245 121.413 120.200 -0.052 0.000 2.414 89 E HA 0.093 4.443 4.350 -0.001 0.000 0.263 89 E C 0.394 176.958 176.600 -0.061 0.000 1.000 89 E CA 0.062 56.431 56.400 -0.052 0.000 0.914 89 E CB 0.457 30.128 29.700 -0.049 0.000 0.948 89 E HN 0.275 nan 8.360 nan 0.000 0.444 90 M N 1.991 121.554 119.600 -0.062 0.000 2.250 90 M HA 0.374 4.853 4.480 -0.001 0.000 0.344 90 M C 0.333 176.582 176.300 -0.085 0.000 1.150 90 M CA 0.230 55.484 55.300 -0.077 0.000 1.147 90 M CB 1.336 33.891 32.600 -0.076 0.000 1.498 90 M HN 0.531 nan 8.290 nan 0.000 0.461 91 S N 0.246 115.882 115.700 -0.107 0.000 2.543 91 S HA 0.202 4.672 4.470 -0.001 0.000 0.274 91 S C 0.044 174.553 174.600 -0.153 0.000 1.149 91 S CA -0.696 57.438 58.200 -0.109 0.000 0.866 91 S CB 1.386 64.550 63.200 -0.059 0.000 1.111 91 S HN 0.829 nan 8.310 nan 0.000 0.457 92 E N 0.943 121.034 120.200 -0.183 0.000 2.268 92 E HA -0.080 4.270 4.350 -0.001 0.000 0.195 92 E C -0.298 176.233 176.600 -0.114 0.000 0.995 92 E CA 0.530 56.799 56.400 -0.218 0.000 0.836 92 E CB 0.091 29.669 29.700 -0.203 0.000 0.763 92 E HN 0.502 nan 8.360 nan 0.000 0.491 93 D N 0.472 120.843 120.400 -0.049 0.000 2.483 93 D HA 0.008 4.648 4.640 -0.001 0.000 0.220 93 D C -0.023 176.365 176.300 0.146 0.000 1.173 93 D CA -0.326 53.692 54.000 0.030 0.000 0.964 93 D CB -0.008 40.836 40.800 0.073 0.000 1.046 93 D HN 0.120 nan 8.370 nan 0.000 0.517 94 c N 2.570 121.220 118.600 0.082 0.000 3.722 94 c HA 0.381 4.951 4.570 -0.001 0.000 0.279 94 c C 0.491 174.635 174.090 0.089 0.000 1.819 94 c CA -0.694 55.745 56.329 0.182 0.000 1.744 94 c CB -1.335 41.204 42.510 0.049 0.000 3.247 94 c HN 0.426 nan 8.230 nan 0.000 0.549 95 L N 2.504 123.520 121.223 -0.346 0.000 2.387 95 L HA 0.439 4.779 4.340 -0.001 0.000 0.267 95 L C -0.833 175.247 176.870 -1.316 0.000 1.197 95 L CA 0.428 54.803 54.840 -0.776 0.000 1.070 95 L CB -0.607 40.892 42.059 -0.933 0.000 1.349 95 L HN 0.377 nan 8.230 nan 0.000 0.422 96 Y N 1.995 122.115 120.300 -0.299 0.000 2.605 96 Y HA 0.695 5.245 4.550 -0.001 0.000 0.343 96 Y C -0.168 175.861 175.900 0.216 0.000 1.036 96 Y CA -1.265 56.761 58.100 -0.123 0.000 1.065 96 Y CB 1.975 40.391 38.460 -0.073 0.000 1.288 96 Y HN 0.187 nan 8.280 nan 0.000 0.481 97 L N -0.201 121.200 121.223 0.296 0.000 2.350 97 L HA 0.756 5.096 4.340 -0.001 0.000 0.260 97 L C -1.397 175.542 176.870 0.116 0.000 1.015 97 L CA -1.140 53.832 54.840 0.220 0.000 0.821 97 L CB 1.927 44.049 42.059 0.105 0.000 1.370 97 L HN 0.467 nan 8.230 nan 0.000 0.416 98 N N 1.990 120.766 118.700 0.128 0.000 2.269 98 N HA 0.733 5.473 4.740 -0.001 0.000 0.304 98 N C -1.286 174.158 175.510 -0.110 0.000 1.072 98 N CA -0.246 52.777 53.050 -0.046 0.000 0.802 98 N CB 2.764 41.228 38.487 -0.039 0.000 1.348 98 N HN 0.655 nan 8.380 nan 0.000 0.484 99 I N 0.458 120.868 120.570 -0.266 0.000 2.533 99 I HA 0.367 4.536 4.170 -0.001 0.000 0.290 99 I C -0.772 175.271 176.117 -0.123 0.000 1.056 99 I CA -0.711 60.541 61.300 -0.080 0.000 1.057 99 I CB 2.250 40.152 38.000 -0.163 0.000 1.240 99 I HN 0.257 nan 8.210 nan 0.000 0.423 100 W N 6.018 127.458 121.300 0.233 0.000 2.329 100 W HA 0.544 5.204 4.660 -0.001 0.000 0.312 100 W C -0.981 175.684 176.519 0.243 0.000 1.054 100 W CA -0.636 56.840 57.345 0.220 0.000 1.245 100 W CB 2.023 31.584 29.460 0.168 0.000 1.255 100 W HN 0.095 nan 8.180 nan 0.000 0.436 101 V N 5.618 125.797 119.914 0.442 0.000 2.448 101 V HA 0.263 4.382 4.120 -0.001 0.000 0.295 101 V C -1.946 174.347 176.094 0.333 0.000 1.025 101 V CA -2.330 60.210 62.300 0.400 0.000 0.859 101 V CB 1.841 33.975 31.823 0.518 0.000 0.988 101 V HN 0.245 nan 8.190 nan 0.000 0.431 102 P HA 0.067 nan 4.420 nan 0.000 0.268 102 P C -0.517 176.912 177.300 0.216 0.000 1.208 102 P CA 0.322 63.560 63.100 0.231 0.000 0.777 102 P CB 0.515 32.316 31.700 0.168 0.000 0.875 103 S N 2.013 117.837 115.700 0.206 0.000 2.498 103 S HA 0.572 5.041 4.470 -0.001 0.000 0.317 103 S C -2.479 172.208 174.600 0.144 0.000 1.090 103 S CA -1.613 56.692 58.200 0.174 0.000 1.089 103 S CB -0.219 63.086 63.200 0.174 0.000 0.997 103 S HN 0.178 nan 8.310 nan 0.000 0.470 104 P HA 0.193 nan 4.420 nan 0.000 0.269 104 P C -0.534 176.841 177.300 0.126 0.000 1.215 104 P CA -0.457 62.708 63.100 0.109 0.000 0.780 104 P CB 0.338 32.087 31.700 0.082 0.000 0.898 105 R N 3.818 124.401 120.500 0.138 0.000 2.486 105 R HA 0.042 4.382 4.340 -0.001 0.000 0.303 105 R C -1.850 174.522 176.300 0.120 0.000 0.958 105 R CA -0.945 55.249 56.100 0.157 0.000 1.077 105 R CB -0.228 30.167 30.300 0.158 0.000 0.921 105 R HN 0.388 nan 8.270 nan 0.000 0.406 106 P HA 0.018 nan 4.420 nan 0.000 0.274 106 P C -0.532 176.811 177.300 0.073 0.000 1.260 106 P CA -0.235 62.919 63.100 0.090 0.000 0.793 106 P CB 0.726 32.483 31.700 0.094 0.000 1.048 107 K N -0.616 119.813 120.400 0.049 0.000 2.214 107 K HA 0.132 4.452 4.320 -0.001 0.000 0.201 107 K C 0.794 177.404 176.600 0.017 0.000 1.049 107 K CA 0.858 57.164 56.287 0.032 0.000 0.978 107 K CB -0.280 32.233 32.500 0.022 0.000 0.842 107 K HN 0.393 nan 8.250 nan 0.000 0.474 108 S N 0.897 116.607 115.700 0.017 0.000 2.777 108 S HA 0.121 4.591 4.470 -0.001 0.000 0.140 108 S C -1.067 173.539 174.600 0.011 0.000 1.233 108 S CA -0.331 57.870 58.200 0.002 0.000 1.157 108 S CB 0.302 63.492 63.200 -0.017 0.000 1.600 108 S HN 0.151 nan 8.310 nan 0.000 0.432 109 T N 1.811 116.383 114.554 0.030 0.000 2.952 109 T HA 0.568 4.918 4.350 -0.001 0.000 0.286 109 T C 0.220 174.939 174.700 0.032 0.000 1.024 109 T CA -0.024 62.095 62.100 0.033 0.000 1.029 109 T CB 1.027 69.925 68.868 0.050 0.000 1.094 109 T HN 0.424 nan 8.240 nan 0.000 0.515 110 T N 2.464 117.032 114.554 0.023 0.000 2.933 110 T HA 0.257 4.606 4.350 -0.001 0.000 0.306 110 T C -0.188 174.538 174.700 0.044 0.000 1.045 110 T CA -0.177 61.933 62.100 0.017 0.000 1.143 110 T CB 0.139 69.004 68.868 -0.004 0.000 1.003 110 T HN 0.415 nan 8.240 nan 0.000 0.540 111 V N 4.916 124.860 119.914 0.050 0.000 2.513 111 V HA 0.505 4.624 4.120 -0.001 0.000 0.299 111 V C 0.010 176.159 176.094 0.092 0.000 1.035 111 V CA -0.770 61.583 62.300 0.088 0.000 0.889 111 V CB 1.722 33.602 31.823 0.096 0.000 0.988 111 V HN 0.835 nan 8.190 nan 0.000 0.440 112 M N 4.441 124.119 119.600 0.131 0.000 2.253 112 M HA 0.555 5.034 4.480 -0.001 0.000 0.314 112 M C -1.319 175.217 176.300 0.393 0.000 1.019 112 M CA -0.663 54.723 55.300 0.144 0.000 0.932 112 M CB 2.242 34.784 32.600 -0.097 0.000 1.606 112 M HN 0.354 nan 8.290 nan 0.000 0.430 113 V N 3.119 123.318 119.914 0.474 0.000 2.334 113 V HA 0.306 4.426 4.120 -0.001 0.000 0.281 113 V C -0.723 175.700 176.094 0.548 0.000 1.016 113 V CA -0.642 61.928 62.300 0.451 0.000 0.832 113 V CB 1.329 33.282 31.823 0.216 0.000 0.999 113 V HN 0.863 nan 8.190 nan 0.000 0.439 114 W N 7.036 128.480 121.300 0.239 0.000 2.316 114 W HA 0.594 5.254 4.660 -0.001 0.000 0.311 114 W C -1.232 175.193 176.519 -0.156 0.000 1.217 114 W CA -0.663 56.534 57.345 -0.246 0.000 1.199 114 W CB 1.068 30.420 29.460 -0.181 0.000 1.202 114 W HN 0.446 nan 8.180 nan 0.000 0.528 115 I N 9.367 129.337 120.570 -1.001 0.000 2.390 115 I HA 0.061 4.230 4.170 -0.001 0.000 0.283 115 I C -0.230 175.133 176.117 -1.256 0.000 1.016 115 I CA -1.133 59.658 61.300 -0.848 0.000 1.151 115 I CB 0.605 38.279 38.000 -0.543 0.000 1.293 115 I HN 0.298 nan 8.210 nan 0.000 0.458 116 Y N 4.611 124.427 120.300 -0.806 0.000 2.550 116 Y HA 0.613 5.162 4.550 -0.001 0.000 0.343 116 Y C 0.771 176.500 175.900 -0.285 0.000 1.245 116 Y CA -0.765 56.987 58.100 -0.580 0.000 1.462 116 Y CB -0.090 38.310 38.460 -0.101 0.000 1.340 116 Y HN 0.528 nan 8.280 nan 0.000 0.604 117 G N -0.580 108.236 108.800 0.027 0.000 2.606 117 G HA2 0.490 4.450 3.960 -0.001 0.000 0.262 117 G HA3 0.490 4.450 3.960 -0.001 0.000 0.262 117 G C 0.322 175.163 174.900 -0.098 0.000 1.394 117 G CA -0.918 44.128 45.100 -0.091 0.000 1.044 117 G HN 1.748 nan 8.290 nan 0.000 0.553 118 G N -2.846 105.742 108.800 -0.354 0.000 2.165 118 G HA2 0.396 4.356 3.960 -0.001 0.000 0.144 118 G HA3 0.396 4.356 3.960 -0.001 0.000 0.144 118 G C 1.073 175.405 174.900 -0.947 0.000 1.049 118 G CA 0.700 45.450 45.100 -0.584 0.000 0.741 118 G HN 2.319 nan 8.290 nan 0.000 0.493 119 G N -0.510 107.776 108.800 -0.856 0.000 2.233 119 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.270 119 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.270 119 G C 0.947 175.677 174.900 -0.284 0.000 1.011 119 G CA 0.898 45.434 45.100 -0.941 0.000 0.762 119 G HN 1.778 nan 8.290 nan 0.000 0.511 120 F N -3.567 116.303 119.950 -0.133 0.000 2.825 120 F HA -0.324 4.203 4.527 -0.001 0.000 0.358 120 F C 1.505 177.391 175.800 0.143 0.000 0.639 120 F CA 2.173 60.182 58.000 0.014 0.000 1.153 120 F CB -2.067 36.773 39.000 -0.267 0.000 1.610 120 F HN 0.873 nan 8.300 nan 0.000 0.305 121 Y N -0.863 119.518 120.300 0.135 0.000 2.445 121 Y HA 0.656 5.206 4.550 -0.001 0.000 0.247 121 Y C 0.661 176.670 175.900 0.182 0.000 1.129 121 Y CA 0.232 58.428 58.100 0.159 0.000 1.251 121 Y CB -0.003 38.462 38.460 0.007 0.000 1.176 121 Y HN 0.101 nan 8.280 nan 0.000 0.522 122 S N -0.809 114.711 115.700 -0.300 0.000 2.672 122 S HA 0.884 5.353 4.470 -0.001 0.000 0.271 122 S C -0.294 174.167 174.600 -0.231 0.000 1.171 122 S CA -0.495 57.584 58.200 -0.201 0.000 0.817 122 S CB 1.458 64.495 63.200 -0.272 0.000 1.150 122 S HN 1.260 nan 8.310 nan 0.000 0.478 123 G N -0.270 108.357 108.800 -0.288 0.000 2.435 123 G HA2 0.431 4.391 3.960 -0.001 0.000 0.603 123 G HA3 0.431 4.391 3.960 -0.001 0.000 0.603 123 G C -1.128 173.110 174.900 -1.104 0.000 1.496 123 G CA -0.352 44.399 45.100 -0.582 0.000 0.896 123 G HN 1.200 nan 8.290 nan 0.000 0.657 124 S N -0.733 114.331 115.700 -1.060 0.000 2.546 124 S HA 0.711 5.180 4.470 -0.001 0.000 0.274 124 S C 0.990 175.404 174.600 -0.309 0.000 1.121 124 S CA 0.083 57.859 58.200 -0.706 0.000 0.887 124 S CB 1.851 64.852 63.200 -0.331 0.000 1.094 124 S HN 1.865 nan 8.310 nan 0.000 0.474 125 S N -0.009 115.691 115.700 -0.001 0.000 2.524 125 S HA -0.048 4.422 4.470 -0.001 0.000 0.216 125 S C 1.441 176.138 174.600 0.161 0.000 0.987 125 S CA 0.784 59.211 58.200 0.377 0.000 0.909 125 S CB -0.546 62.920 63.200 0.444 0.000 0.781 125 S HN 0.813 nan 8.310 nan 0.000 0.521 126 T N 0.451 114.889 114.554 -0.194 0.000 3.129 126 T HA 0.374 4.723 4.350 -0.001 0.000 0.251 126 T C 0.614 175.058 174.700 -0.426 0.000 1.117 126 T CA -0.458 61.228 62.100 -0.689 0.000 1.034 126 T CB -0.653 67.715 68.868 -0.832 0.000 0.968 126 T HN 0.324 nan 8.240 nan 0.000 0.526 127 L N 1.940 122.988 121.223 -0.292 0.000 2.499 127 L HA 0.119 4.458 4.340 -0.001 0.000 0.281 127 L C 1.383 178.043 176.870 -0.350 0.000 1.234 127 L CA -0.407 54.180 54.840 -0.423 0.000 0.839 127 L CB 0.290 41.872 42.059 -0.796 0.000 1.104 127 L HN 0.058 nan 8.230 nan 0.000 0.500 128 D N 0.885 121.092 120.400 -0.322 0.000 2.144 128 D HA -0.136 4.504 4.640 -0.001 0.000 0.199 128 D C 1.944 178.079 176.300 -0.275 0.000 0.984 128 D CA 1.247 55.121 54.000 -0.211 0.000 0.834 128 D CB -0.043 40.642 40.800 -0.192 0.000 0.955 128 D HN 0.508 nan 8.370 nan 0.000 0.465 129 V N -1.354 118.269 119.914 -0.486 0.000 3.305 129 V HA -0.128 3.991 4.120 -0.001 0.000 0.269 129 V C 1.135 176.868 176.094 -0.601 0.000 1.157 129 V CA 0.963 62.969 62.300 -0.490 0.000 1.157 129 V CB -1.048 30.428 31.823 -0.578 0.000 0.772 129 V HN 0.082 nan 8.190 nan 0.000 0.498 130 Y N 0.048 119.931 120.300 -0.695 0.000 2.485 130 Y HA 0.423 4.972 4.550 -0.001 0.000 0.260 130 Y C 1.139 176.656 175.900 -0.639 0.000 1.173 130 Y CA -1.656 55.778 58.100 -1.110 0.000 1.252 130 Y CB -0.951 37.178 38.460 -0.551 0.000 1.123 130 Y HN 0.289 nan 8.280 nan 0.000 0.524 131 N N 1.478 120.047 118.700 -0.219 0.000 2.423 131 N HA -0.027 4.712 4.740 -0.001 0.000 0.275 131 N C 1.387 176.609 175.510 -0.480 0.000 1.283 131 N CA 0.577 53.476 53.050 -0.252 0.000 0.932 131 N CB 0.956 39.403 38.487 -0.066 0.000 1.185 131 N HN 0.436 nan 8.380 nan 0.000 0.483 132 G N 3.202 111.166 108.800 -1.394 0.000 2.776 132 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.209 132 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.209 132 G C 1.418 175.753 174.900 -0.941 0.000 1.145 132 G CA 0.160 44.619 45.100 -1.069 0.000 0.791 132 G HN 0.605 nan 8.290 nan 0.000 0.530 133 K N -0.287 119.392 120.400 -1.201 0.000 2.015 133 K HA -0.222 4.098 4.320 -0.001 0.000 0.216 133 K C 2.034 178.394 176.600 -0.400 0.000 1.052 133 K CA 1.834 57.707 56.287 -0.689 0.000 0.937 133 K CB -0.309 31.706 32.500 -0.809 0.000 0.719 133 K HN 0.489 nan 8.250 nan 0.000 0.446 134 Y N 0.014 120.252 120.300 -0.102 0.000 2.242 134 Y HA -0.191 4.358 4.550 -0.001 0.000 0.291 134 Y C 2.134 178.045 175.900 0.019 0.000 1.137 134 Y CA 0.567 58.662 58.100 -0.008 0.000 1.181 134 Y CB -0.280 38.148 38.460 -0.053 0.000 0.989 134 Y HN 0.120 nan 8.280 nan 0.000 0.527 135 L N 0.281 121.542 121.223 0.063 0.000 2.072 135 L HA 0.014 4.354 4.340 -0.001 0.000 0.205 135 L C 2.378 179.268 176.870 0.032 0.000 1.079 135 L CA 1.733 56.566 54.840 -0.012 0.000 0.752 135 L CB -1.134 40.823 42.059 -0.169 0.000 0.906 135 L HN 0.133 nan 8.230 nan 0.000 0.436 136 A N -1.203 121.653 122.820 0.061 0.000 1.877 136 A HA -0.297 4.023 4.320 -0.001 0.000 0.216 136 A C 2.313 179.988 177.584 0.151 0.000 1.186 136 A CA 1.991 54.112 52.037 0.140 0.000 0.620 136 A CB -1.204 17.943 19.000 0.245 0.000 0.822 136 A HN 0.620 nan 8.150 nan 0.000 0.443 137 Y N 1.123 121.451 120.300 0.047 0.000 2.133 137 Y HA -0.159 4.391 4.550 -0.001 0.000 0.287 137 Y C 2.638 178.564 175.900 0.044 0.000 1.134 137 Y CA 2.420 60.549 58.100 0.049 0.000 1.133 137 Y CB -0.770 37.704 38.460 0.023 0.000 0.987 137 Y HN 0.285 nan 8.280 nan 0.000 0.502 138 T N 0.397 114.924 114.554 -0.046 0.000 2.788 138 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 138 T C 1.280 175.909 174.700 -0.119 0.000 1.044 138 T CA 1.680 63.696 62.100 -0.139 0.000 1.139 138 T CB -0.106 68.779 68.868 0.029 0.000 0.867 138 T HN 0.330 nan 8.240 nan 0.000 0.454 139 E N 0.500 120.679 120.200 -0.036 0.000 2.481 139 E HA 0.114 4.463 4.350 -0.001 0.000 0.198 139 E C 0.062 176.670 176.600 0.013 0.000 1.027 139 E CA 0.019 56.427 56.400 0.013 0.000 0.900 139 E CB 0.175 29.907 29.700 0.054 0.000 0.993 139 E HN 0.586 nan 8.360 nan 0.000 0.482 140 E N 0.123 120.317 120.200 -0.010 0.000 2.271 140 E HA -0.162 4.188 4.350 -0.001 0.000 0.223 140 E C -0.214 176.418 176.600 0.055 0.000 1.223 140 E CA 0.480 56.890 56.400 0.018 0.000 0.704 140 E CB -1.911 27.790 29.700 0.002 0.000 1.194 140 E HN 0.127 nan 8.360 nan 0.000 0.375 141 V N -3.603 116.357 119.914 0.077 0.000 2.914 141 V HA 0.663 4.783 4.120 -0.001 0.000 0.314 141 V C 0.313 176.495 176.094 0.146 0.000 1.084 141 V CA -1.090 61.264 62.300 0.090 0.000 0.963 141 V CB 2.332 34.191 31.823 0.060 0.000 1.025 141 V HN -0.033 nan 8.190 nan 0.000 0.432 142 V N 4.454 124.460 119.914 0.155 0.000 2.372 142 V HA 0.324 4.443 4.120 -0.001 0.000 0.261 142 V C -0.011 176.224 176.094 0.235 0.000 1.055 142 V CA -0.082 62.343 62.300 0.207 0.000 0.930 142 V CB 0.688 32.618 31.823 0.179 0.000 1.031 142 V HN 0.753 nan 8.190 nan 0.000 0.479 143 L N 7.500 128.919 121.223 0.328 0.000 2.264 143 L HA 0.579 4.918 4.340 -0.001 0.000 0.289 143 L C -0.214 176.975 176.870 0.531 0.000 1.044 143 L CA 0.416 55.500 54.840 0.406 0.000 0.807 143 L CB 1.485 43.773 42.059 0.382 0.000 1.192 143 L HN 0.404 nan 8.230 nan 0.000 0.425 144 V N 3.707 123.900 119.914 0.466 0.000 2.628 144 V HA 0.710 4.829 4.120 -0.001 0.000 0.306 144 V C -0.293 176.111 176.094 0.515 0.000 1.045 144 V CA -0.480 62.070 62.300 0.417 0.000 0.905 144 V CB 2.006 33.983 31.823 0.256 0.000 0.997 144 V HN 0.883 nan 8.190 nan 0.000 0.436 145 S N 4.731 120.741 115.700 0.517 0.000 2.605 145 S HA 0.792 5.261 4.470 -0.001 0.000 0.308 145 S C -0.852 173.966 174.600 0.363 0.000 1.113 145 S CA -0.769 57.750 58.200 0.531 0.000 1.049 145 S CB 1.369 64.996 63.200 0.713 0.000 1.001 145 S HN 0.702 nan 8.310 nan 0.000 0.480 146 L N 1.216 122.586 121.223 0.244 0.000 2.440 146 L HA 0.995 5.335 4.340 -0.001 0.000 0.262 146 L C 0.117 177.166 176.870 0.299 0.000 1.072 146 L CA -0.621 54.330 54.840 0.185 0.000 0.798 146 L CB 0.417 42.456 42.059 -0.033 0.000 1.307 146 L HN 0.853 nan 8.230 nan 0.000 0.475 147 S N -1.396 114.549 115.700 0.408 0.000 2.595 147 S HA 0.884 5.354 4.470 -0.001 0.000 0.281 147 S C -1.221 173.673 174.600 0.489 0.000 1.117 147 S CA -0.547 57.927 58.200 0.457 0.000 0.873 147 S CB 1.522 64.993 63.200 0.451 0.000 1.108 147 S HN 1.156 nan 8.310 nan 0.000 0.477 148 Y N -1.551 118.893 120.300 0.239 0.000 2.592 148 Y HA 0.679 5.228 4.550 -0.001 0.000 0.334 148 Y C -0.790 175.253 175.900 0.237 0.000 1.136 148 Y CA -1.401 56.820 58.100 0.201 0.000 1.042 148 Y CB 0.751 39.279 38.460 0.114 0.000 1.325 148 Y HN 0.761 nan 8.280 nan 0.000 0.457 149 R N 1.981 122.635 120.500 0.256 0.000 2.489 149 R HA 0.507 4.846 4.340 -0.001 0.000 0.287 149 R C -0.142 176.353 176.300 0.324 0.000 1.053 149 R CA -0.182 56.028 56.100 0.183 0.000 1.036 149 R CB 0.835 31.211 30.300 0.126 0.000 0.966 149 R HN 0.693 nan 8.270 nan 0.000 0.432 150 V N 0.217 120.336 119.914 0.341 0.000 3.234 150 V HA 0.890 5.010 4.120 -0.001 0.000 0.317 150 V C 0.786 177.226 176.094 0.577 0.000 1.147 150 V CA -0.097 62.522 62.300 0.531 0.000 1.037 150 V CB 1.151 33.165 31.823 0.318 0.000 1.148 150 V HN 0.966 nan 8.190 nan 0.000 0.455 151 G N 0.408 109.574 108.800 0.610 0.000 2.601 151 G HA2 0.024 3.983 3.960 -0.001 0.000 0.261 151 G HA3 0.024 3.983 3.960 -0.001 0.000 0.261 151 G C 0.985 176.089 174.900 0.339 0.000 1.289 151 G CA 0.895 46.306 45.100 0.519 0.000 0.920 151 G HN 2.196 nan 8.290 nan 0.000 0.571 152 A N -1.321 121.379 122.820 -0.200 0.000 1.978 152 A HA 0.218 4.537 4.320 -0.001 0.000 0.220 152 A C 2.236 179.684 177.584 -0.227 0.000 1.170 152 A CA 2.529 54.043 52.037 -0.871 0.000 0.636 152 A CB -0.508 17.755 19.000 -1.229 0.000 0.810 152 A HN 0.955 nan 8.150 nan 0.000 0.448 153 F N 0.054 120.092 119.950 0.147 0.000 2.161 153 F HA -0.060 4.466 4.527 -0.001 0.000 0.300 153 F C 2.467 178.319 175.800 0.087 0.000 1.089 153 F CA 1.327 59.414 58.000 0.146 0.000 1.282 153 F CB -0.655 38.364 39.000 0.031 0.000 1.010 153 F HN 0.294 nan 8.300 nan 0.000 0.485 154 G N -2.549 106.371 108.800 0.201 0.000 2.833 154 G HA2 0.074 4.033 3.960 -0.001 0.000 0.210 154 G HA3 0.074 4.033 3.960 -0.001 0.000 0.210 154 G C 0.717 175.147 174.900 -0.782 0.000 1.139 154 G CA 0.071 45.033 45.100 -0.231 0.000 0.771 154 G HN 0.339 nan 8.290 nan 0.000 0.535 155 F N -0.009 120.022 119.950 0.136 0.000 2.825 155 F HA 0.433 4.960 4.527 -0.001 0.000 0.322 155 F C 0.413 176.240 175.800 0.045 0.000 1.127 155 F CA -0.896 57.159 58.000 0.092 0.000 1.164 155 F CB 0.666 39.747 39.000 0.135 0.000 1.101 155 F HN -0.108 nan 8.300 nan 0.000 0.529 156 L N 2.694 123.858 121.223 -0.099 0.000 2.534 156 L HA 0.435 4.775 4.340 -0.001 0.000 0.271 156 L C -0.098 176.691 176.870 -0.134 0.000 1.178 156 L CA 0.367 55.017 54.840 -0.317 0.000 0.907 156 L CB 0.279 41.790 42.059 -0.914 0.000 1.164 156 L HN 0.186 nan 8.230 nan 0.000 0.482 157 A N 7.401 130.220 122.820 -0.003 0.000 2.323 157 A HA 0.563 4.882 4.320 -0.001 0.000 0.305 157 A C -0.477 177.114 177.584 0.011 0.000 1.275 157 A CA -0.519 51.530 52.037 0.020 0.000 0.804 157 A CB 0.632 19.681 19.000 0.082 0.000 1.152 157 A HN 0.790 nan 8.150 nan 0.000 0.487 158 L N 3.511 124.728 121.223 -0.010 0.000 2.599 158 L HA 0.212 4.551 4.340 -0.001 0.000 0.241 158 L C 0.149 177.043 176.870 0.039 0.000 1.207 158 L CA -0.766 54.074 54.840 0.000 0.000 0.987 158 L CB 0.041 42.071 42.059 -0.048 0.000 1.318 158 L HN 0.906 nan 8.230 nan 0.000 0.458 159 H N 1.443 120.509 119.070 -0.007 0.000 3.195 159 H HA 0.153 4.709 4.556 -0.001 0.000 0.302 159 H C 1.203 176.535 175.328 0.006 0.000 0.950 159 H CA 1.718 57.770 56.048 0.007 0.000 1.398 159 H CB 0.634 30.404 29.762 0.015 0.000 1.377 159 H HN 0.675 nan 8.280 nan 0.000 0.572 160 G N 2.688 111.149 108.800 -0.565 0.000 2.259 160 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 160 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 160 G C 0.378 175.172 174.900 -0.177 0.000 1.001 160 G CA 0.176 45.051 45.100 -0.375 0.000 0.627 160 G HN 0.904 nan 8.290 nan 0.000 0.501 161 S N 0.086 115.716 115.700 -0.117 0.000 2.554 161 S HA 0.586 5.055 4.470 -0.001 0.000 0.278 161 S C 1.257 175.834 174.600 -0.039 0.000 1.242 161 S CA 0.056 58.222 58.200 -0.056 0.000 1.051 161 S CB 1.455 64.636 63.200 -0.031 0.000 0.986 161 S HN 0.200 nan 8.310 nan 0.000 0.502 162 Q N 1.971 121.761 119.800 -0.017 0.000 2.354 162 Q HA 0.088 4.427 4.340 -0.001 0.000 0.203 162 Q C 1.362 177.376 176.000 0.024 0.000 0.933 162 Q CA 0.733 56.536 55.803 0.001 0.000 0.901 162 Q CB -0.027 28.713 28.738 0.003 0.000 1.007 162 Q HN 0.717 nan 8.270 nan 0.000 0.495 163 E N 0.632 120.851 120.200 0.032 0.000 2.152 163 E HA 0.025 4.375 4.350 -0.001 0.000 0.192 163 E C 0.237 176.893 176.600 0.094 0.000 0.983 163 E CA 0.689 57.129 56.400 0.066 0.000 0.818 163 E CB 0.333 30.079 29.700 0.077 0.000 0.758 163 E HN 0.144 nan 8.360 nan 0.000 0.467 164 A N 1.589 124.436 122.820 0.046 0.000 3.300 164 A HA 0.295 4.614 4.320 -0.001 0.000 0.300 164 A C -2.082 175.498 177.584 -0.007 0.000 1.099 164 A CA -0.922 51.124 52.037 0.016 0.000 0.846 164 A CB 0.789 19.721 19.000 -0.114 0.000 1.255 164 A HN -0.114 nan 8.150 nan 0.000 0.519 165 P HA 0.153 nan 4.420 nan 0.000 0.225 165 P C 0.896 178.240 177.300 0.075 0.000 1.156 165 P CA 1.696 64.823 63.100 0.044 0.000 0.787 165 P CB 0.281 32.010 31.700 0.048 0.000 0.802 166 G N 0.609 109.428 108.800 0.033 0.000 2.663 166 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 166 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 166 G C -0.107 174.793 174.900 -0.001 0.000 1.288 166 G CA -0.257 44.864 45.100 0.035 0.000 0.836 166 G HN 0.110 nan 8.290 nan 0.000 0.584 167 N N -2.470 116.218 118.700 -0.021 0.000 2.863 167 N HA -0.285 4.454 4.740 -0.001 0.000 0.245 167 N C 1.972 177.318 175.510 -0.274 0.000 1.001 167 N CA 2.607 55.573 53.050 -0.140 0.000 0.901 167 N CB -1.646 36.725 38.487 -0.194 0.000 1.124 167 N HN 1.927 nan 8.380 nan 0.000 0.582 168 V N -2.749 117.003 119.914 -0.269 0.000 2.594 168 V HA -0.030 4.089 4.120 -0.001 0.000 0.253 168 V C 2.291 178.245 176.094 -0.234 0.000 1.069 168 V CA 2.367 64.558 62.300 -0.180 0.000 1.082 168 V CB -0.959 30.814 31.823 -0.084 0.000 0.680 168 V HN 0.292 nan 8.190 nan 0.000 0.469 169 G N 0.135 108.578 108.800 -0.595 0.000 2.422 169 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.218 169 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.218 169 G C 1.549 176.427 174.900 -0.036 0.000 1.140 169 G CA 0.966 45.872 45.100 -0.324 0.000 0.775 169 G HN 0.526 nan 8.290 nan 0.000 0.545 170 L N -0.073 121.072 121.223 -0.129 0.000 2.156 170 L HA 0.097 4.437 4.340 -0.001 0.000 0.208 170 L C 2.765 179.695 176.870 0.100 0.000 1.095 170 L CA 0.374 55.146 54.840 -0.112 0.000 0.770 170 L CB -0.209 41.483 42.059 -0.612 0.000 0.914 170 L HN 0.188 nan 8.230 nan 0.000 0.439 171 L N -0.736 120.533 121.223 0.076 0.000 2.201 171 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 171 L C 2.063 179.027 176.870 0.156 0.000 1.105 171 L CA 0.721 55.666 54.840 0.176 0.000 0.775 171 L CB -0.585 41.552 42.059 0.130 0.000 0.913 171 L HN 0.269 nan 8.230 nan 0.000 0.440 172 D N 0.030 120.524 120.400 0.157 0.000 2.097 172 D HA -0.184 4.456 4.640 -0.001 0.000 0.195 172 D C 2.288 178.683 176.300 0.158 0.000 0.989 172 D CA 1.105 55.272 54.000 0.278 0.000 0.827 172 D CB -0.142 40.862 40.800 0.341 0.000 0.966 172 D HN 0.377 nan 8.370 nan 0.000 0.456 173 Q N 0.224 120.071 119.800 0.078 0.000 2.061 173 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 173 Q C 2.307 178.206 176.000 -0.168 0.000 0.984 173 Q CA 1.118 56.878 55.803 -0.072 0.000 0.846 173 Q CB -0.104 28.628 28.738 -0.009 0.000 0.902 173 Q HN 0.203 nan 8.270 nan 0.000 0.421 174 R N 0.631 121.108 120.500 -0.038 0.000 2.091 174 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 174 R C 2.216 178.478 176.300 -0.064 0.000 1.136 174 R CA 1.584 57.640 56.100 -0.073 0.000 0.959 174 R CB -0.191 30.172 30.300 0.105 0.000 0.856 174 R HN 0.286 nan 8.270 nan 0.000 0.437 175 M N -0.035 119.558 119.600 -0.011 0.000 2.175 175 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 175 M C 2.108 178.330 176.300 -0.130 0.000 1.063 175 M CA 1.901 57.224 55.300 0.037 0.000 1.119 175 M CB -0.025 32.704 32.600 0.215 0.000 1.377 175 M HN 0.317 nan 8.290 nan 0.000 0.415 176 A N 0.412 122.876 122.820 -0.593 0.000 1.902 176 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 176 A C 1.987 179.421 177.584 -0.250 0.000 1.181 176 A CA 1.350 52.844 52.037 -0.904 0.000 0.623 176 A CB -0.963 17.275 19.000 -1.270 0.000 0.818 176 A HN 0.578 nan 8.150 nan 0.000 0.443 177 L N -1.054 120.056 121.223 -0.188 0.000 2.141 177 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 177 L C 2.833 179.730 176.870 0.046 0.000 1.094 177 L CA 1.628 56.431 54.840 -0.063 0.000 0.763 177 L CB -0.432 41.548 42.059 -0.131 0.000 0.908 177 L HN 0.480 nan 8.230 nan 0.000 0.437 178 Q N -0.340 119.483 119.800 0.038 0.000 2.079 178 Q HA -0.249 4.091 4.340 -0.001 0.000 0.200 178 Q C 1.997 178.104 176.000 0.179 0.000 0.974 178 Q CA 1.827 57.683 55.803 0.088 0.000 0.840 178 Q CB -0.462 28.318 28.738 0.070 0.000 0.898 178 Q HN 0.479 nan 8.270 nan 0.000 0.430 179 W N -0.797 120.515 121.300 0.020 0.000 2.388 179 W HA -0.114 4.545 4.660 -0.001 0.000 0.294 179 W C 1.734 178.293 176.519 0.066 0.000 1.212 179 W CA 1.383 58.767 57.345 0.064 0.000 1.271 179 W CB 0.042 29.548 29.460 0.076 0.000 1.126 179 W HN 0.001 nan 8.180 nan 0.000 0.535 180 V N -0.148 119.972 119.914 0.343 0.000 2.427 180 V HA -0.342 3.778 4.120 -0.001 0.000 0.248 180 V C 2.491 178.625 176.094 0.068 0.000 1.051 180 V CA 2.264 64.698 62.300 0.224 0.000 1.048 180 V CB -1.175 30.761 31.823 0.188 0.000 0.666 180 V HN 0.338 nan 8.190 nan 0.000 0.456 181 H N 0.429 119.495 119.070 -0.007 0.000 2.321 181 H HA -0.171 4.384 4.556 -0.001 0.000 0.300 181 H C 1.844 177.096 175.328 -0.127 0.000 1.087 181 H CA 2.023 58.041 56.048 -0.049 0.000 1.319 181 H CB 0.109 29.855 29.762 -0.027 0.000 1.379 181 H HN 0.422 nan 8.280 nan 0.000 0.501 182 D N -0.367 119.960 120.400 -0.122 0.000 2.289 182 D HA -0.039 4.600 4.640 -0.001 0.000 0.207 182 D C 1.207 177.274 176.300 -0.388 0.000 0.966 182 D CA 0.523 54.376 54.000 -0.245 0.000 0.868 182 D CB 0.055 40.766 40.800 -0.148 0.000 0.943 182 D HN 0.499 nan 8.370 nan 0.000 0.514 183 N N -0.196 118.213 118.700 -0.484 0.000 2.211 183 N HA 0.023 4.763 4.740 -0.001 0.000 0.216 183 N C 1.492 176.890 175.510 -0.186 0.000 1.240 183 N CA -0.187 52.593 53.050 -0.450 0.000 0.895 183 N CB 0.963 38.896 38.487 -0.923 0.000 1.102 183 N HN -0.018 nan 8.380 nan 0.000 0.498 184 I N 3.338 123.845 120.570 -0.104 0.000 2.502 184 I HA -0.268 3.901 4.170 -0.001 0.000 0.258 184 I C 2.595 178.734 176.117 0.037 0.000 1.172 184 I CA 1.362 62.725 61.300 0.106 0.000 1.430 184 I CB -0.238 37.792 38.000 0.050 0.000 1.086 184 I HN 0.217 nan 8.210 nan 0.000 0.440 185 Q N -0.839 118.787 119.800 -0.290 0.000 2.170 185 Q HA -0.226 4.113 4.340 -0.001 0.000 0.203 185 Q C 1.881 177.704 176.000 -0.295 0.000 0.976 185 Q CA 1.610 57.197 55.803 -0.360 0.000 0.858 185 Q CB -0.837 27.550 28.738 -0.584 0.000 0.907 185 Q HN 0.406 nan 8.270 nan 0.000 0.433 186 F N -0.053 119.842 119.950 -0.092 0.000 2.546 186 F HA 0.070 4.597 4.527 -0.001 0.000 0.298 186 F C 0.963 176.514 175.800 -0.414 0.000 1.120 186 F CA 0.317 58.149 58.000 -0.279 0.000 1.456 186 F CB -0.183 38.560 39.000 -0.428 0.000 1.088 186 F HN 0.014 nan 8.300 nan 0.000 0.572 187 F N -0.733 119.233 119.950 0.027 0.000 2.695 187 F HA 0.433 4.960 4.527 -0.001 0.000 0.303 187 F C 1.804 177.628 175.800 0.040 0.000 1.091 187 F CA 0.316 58.312 58.000 -0.007 0.000 1.300 187 F CB -0.005 38.965 39.000 -0.050 0.000 1.071 187 F HN 0.023 nan 8.300 nan 0.000 0.578 188 G N 0.191 109.081 108.800 0.149 0.000 2.159 188 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.227 188 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.227 188 G C 0.580 175.533 174.900 0.089 0.000 0.986 188 G CA -0.319 44.842 45.100 0.102 0.000 0.651 188 G HN 0.709 nan 8.290 nan 0.000 0.523 189 G N -0.308 108.552 108.800 0.100 0.000 2.420 189 G HA2 0.488 4.448 3.960 -0.001 0.000 0.284 189 G HA3 0.488 4.448 3.960 -0.001 0.000 0.284 189 G C -0.670 174.229 174.900 -0.001 0.000 1.177 189 G CA 0.305 45.445 45.100 0.067 0.000 0.841 189 G HN 0.266 nan 8.290 nan 0.000 0.527 190 D N 1.931 122.329 120.400 -0.003 0.000 2.380 190 D HA 0.248 4.888 4.640 -0.001 0.000 0.230 190 D C -0.928 175.348 176.300 -0.039 0.000 1.154 190 D CA -2.413 51.566 54.000 -0.035 0.000 0.859 190 D CB 1.773 42.559 40.800 -0.022 0.000 1.045 190 D HN 0.084 nan 8.370 nan 0.000 0.495 191 P HA -0.137 nan 4.420 nan 0.000 0.225 191 P C 0.877 178.157 177.300 -0.034 0.000 1.148 191 P CA 0.923 63.967 63.100 -0.093 0.000 0.779 191 P CB 0.108 31.652 31.700 -0.260 0.000 0.780 192 K N -0.336 120.038 120.400 -0.043 0.000 2.418 192 K HA 0.109 4.428 4.320 -0.001 0.000 0.195 192 K C 1.160 177.755 176.600 -0.008 0.000 1.035 192 K CA 0.966 57.242 56.287 -0.019 0.000 1.003 192 K CB -0.935 31.544 32.500 -0.036 0.000 0.793 192 K HN 0.187 nan 8.250 nan 0.000 0.494 193 T N 1.161 115.713 114.554 -0.003 0.000 3.504 193 T HA 0.400 4.749 4.350 -0.001 0.000 0.286 193 T C -1.052 173.663 174.700 0.024 0.000 1.530 193 T CA -0.334 61.763 62.100 -0.005 0.000 1.652 193 T CB 0.512 69.364 68.868 -0.026 0.000 0.895 193 T HN 0.029 nan 8.240 nan 0.000 0.674 194 V N 2.218 122.174 119.914 0.069 0.000 2.370 194 V HA 0.446 4.566 4.120 -0.001 0.000 0.283 194 V C 0.364 176.553 176.094 0.159 0.000 1.023 194 V CA -0.485 61.885 62.300 0.117 0.000 0.857 194 V CB 1.588 33.505 31.823 0.157 0.000 0.985 194 V HN 0.555 nan 8.190 nan 0.000 0.443 195 T N 6.699 121.329 114.554 0.126 0.000 2.758 195 T HA 0.556 4.906 4.350 -0.001 0.000 0.285 195 T C -0.046 174.771 174.700 0.195 0.000 0.981 195 T CA -0.142 62.047 62.100 0.148 0.000 0.965 195 T CB 0.632 69.535 68.868 0.057 0.000 0.927 195 T HN 0.616 nan 8.240 nan 0.000 0.448 196 I N 2.085 122.747 120.570 0.154 0.000 2.365 196 I HA 0.801 4.970 4.170 -0.001 0.000 0.291 196 I C -0.799 175.488 176.117 0.284 0.000 1.004 196 I CA -0.883 60.489 61.300 0.122 0.000 1.311 196 I CB 0.586 38.438 38.000 -0.247 0.000 1.401 196 I HN 0.434 nan 8.210 nan 0.000 0.491 197 F N 3.669 123.665 119.950 0.077 0.000 2.578 197 F HA 1.005 5.532 4.527 -0.001 0.000 0.311 197 F C -0.387 175.430 175.800 0.028 0.000 1.094 197 F CA -1.515 56.573 58.000 0.146 0.000 0.923 197 F CB 1.312 40.509 39.000 0.329 0.000 1.230 197 F HN 0.789 nan 8.300 nan 0.000 0.450 198 G N 1.402 110.088 108.800 -0.190 0.000 2.660 198 G HA2 0.507 4.466 3.960 -0.001 0.000 0.290 198 G HA3 0.507 4.466 3.960 -0.001 0.000 0.290 198 G C -2.428 172.278 174.900 -0.324 0.000 1.432 198 G CA -0.800 43.840 45.100 -0.766 0.000 0.807 198 G HN 0.834 nan 8.290 nan 0.000 0.485 199 E N 0.228 120.186 120.200 -0.404 0.000 2.238 199 E HA 0.621 4.970 4.350 -0.001 0.000 0.267 199 E C 0.578 177.161 176.600 -0.028 0.000 0.887 199 E CA 0.146 56.554 56.400 0.013 0.000 0.769 199 E CB 2.100 31.972 29.700 0.287 0.000 1.187 199 E HN 0.663 nan 8.360 nan 0.000 0.416 200 S N 2.356 118.112 115.700 0.092 0.000 4.140 200 S HA -0.379 4.091 4.470 -0.001 0.000 0.618 200 S C 1.382 176.048 174.600 0.111 0.000 1.896 200 S CA 1.725 59.998 58.200 0.121 0.000 4.240 200 S CB -1.582 61.652 63.200 0.056 0.000 0.208 200 S HN 0.884 nan 8.310 nan 0.000 0.487 201 A N 0.937 123.707 122.820 -0.084 0.000 2.070 201 A HA 0.217 4.537 4.320 -0.001 0.000 0.220 201 A C 2.287 179.600 177.584 -0.452 0.000 1.159 201 A CA 2.240 54.013 52.037 -0.440 0.000 0.656 201 A CB -1.299 17.022 19.000 -1.132 0.000 0.800 201 A HN 1.415 nan 8.150 nan 0.000 0.453 202 G N -0.670 107.933 108.800 -0.328 0.000 2.421 202 G HA2 0.122 4.081 3.960 -0.001 0.000 0.217 202 G HA3 0.122 4.081 3.960 -0.001 0.000 0.217 202 G C 1.435 176.160 174.900 -0.291 0.000 1.143 202 G CA 1.070 45.940 45.100 -0.383 0.000 0.784 202 G HN 0.623 nan 8.290 nan 0.000 0.541 203 G N 1.029 109.717 108.800 -0.187 0.000 2.403 203 G HA2 0.120 4.079 3.960 -0.001 0.000 0.216 203 G HA3 0.120 4.079 3.960 -0.001 0.000 0.216 203 G C 2.014 176.816 174.900 -0.163 0.000 1.154 203 G CA 1.385 46.412 45.100 -0.122 0.000 0.784 203 G HN 0.562 nan 8.290 nan 0.000 0.538 204 A N 0.927 123.662 122.820 -0.141 0.000 1.902 204 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 204 A C 2.693 180.200 177.584 -0.128 0.000 1.181 204 A CA 2.244 54.174 52.037 -0.178 0.000 0.623 204 A CB -0.703 18.213 19.000 -0.140 0.000 0.818 204 A HN 0.293 nan 8.150 nan 0.000 0.443 205 S N -0.452 115.200 115.700 -0.081 0.000 2.359 205 S HA -0.156 4.313 4.470 -0.001 0.000 0.224 205 S C 1.912 176.413 174.600 -0.164 0.000 1.035 205 S CA 1.474 59.598 58.200 -0.127 0.000 1.018 205 S CB -0.540 62.550 63.200 -0.183 0.000 0.876 205 S HN 0.346 nan 8.310 nan 0.000 0.448 206 V N 1.496 121.332 119.914 -0.130 0.000 2.287 206 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 206 V C 2.581 178.620 176.094 -0.091 0.000 1.053 206 V CA 2.062 64.298 62.300 -0.107 0.000 1.027 206 V CB -1.407 30.343 31.823 -0.121 0.000 0.646 206 V HN 0.609 nan 8.190 nan 0.000 0.447 207 G N -1.245 107.447 108.800 -0.181 0.000 2.422 207 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 207 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 207 G C 1.579 176.465 174.900 -0.022 0.000 1.140 207 G CA 0.775 45.737 45.100 -0.230 0.000 0.775 207 G HN 0.452 nan 8.290 nan 0.000 0.545 208 M N -0.201 119.396 119.600 -0.005 0.000 2.254 208 M HA 0.037 4.516 4.480 -0.001 0.000 0.265 208 M C 2.205 178.625 176.300 0.201 0.000 1.066 208 M CA 0.787 56.222 55.300 0.225 0.000 1.123 208 M CB -0.190 32.555 32.600 0.241 0.000 1.388 208 M HN 0.168 nan 8.290 nan 0.000 0.425 209 H N -0.143 119.044 119.070 0.196 0.000 2.470 209 H HA 0.084 4.639 4.556 -0.001 0.000 0.289 209 H C 2.085 177.608 175.328 0.326 0.000 1.033 209 H CA 1.150 57.301 56.048 0.171 0.000 1.331 209 H CB -0.098 29.650 29.762 -0.024 0.000 1.414 209 H HN 0.398 nan 8.280 nan 0.000 0.545 210 I N 0.361 121.207 120.570 0.460 0.000 2.315 210 I HA -0.228 3.942 4.170 -0.001 0.000 0.248 210 I C 2.206 178.577 176.117 0.422 0.000 1.117 210 I CA 0.809 62.436 61.300 0.546 0.000 1.404 210 I CB -0.048 38.223 38.000 0.453 0.000 1.071 210 I HN 0.120 nan 8.210 nan 0.000 0.419 211 L N -0.483 120.955 121.223 0.359 0.000 2.049 211 L HA -0.067 4.272 4.340 -0.001 0.000 0.203 211 L C 1.565 178.556 176.870 0.202 0.000 1.074 211 L CA 0.403 55.452 54.840 0.348 0.000 0.749 211 L CB -0.336 41.965 42.059 0.404 0.000 0.907 211 L HN 0.087 nan 8.230 nan 0.000 0.439 212 S N 0.113 115.845 115.700 0.053 0.000 2.481 212 S HA 0.066 4.536 4.470 -0.001 0.000 0.282 212 S C -1.502 172.984 174.600 -0.191 0.000 1.243 212 S CA -1.291 56.736 58.200 -0.288 0.000 1.078 212 S CB 0.859 63.441 63.200 -1.030 0.000 0.916 212 S HN -0.072 nan 8.310 nan 0.000 0.495 213 P HA -0.055 nan 4.420 nan 0.000 0.216 213 P C 1.411 178.626 177.300 -0.141 0.000 1.150 213 P CA 1.176 64.208 63.100 -0.114 0.000 0.843 213 P CB -0.109 31.529 31.700 -0.102 0.000 0.787 214 G N -1.602 107.062 108.800 -0.226 0.000 2.625 214 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.214 214 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.214 214 G C 1.240 176.051 174.900 -0.148 0.000 1.132 214 G CA 0.596 45.579 45.100 -0.196 0.000 0.782 214 G HN 0.242 nan 8.290 nan 0.000 0.538 215 S N -0.652 114.984 115.700 -0.107 0.000 2.575 215 S HA 0.126 4.595 4.470 -0.001 0.000 0.230 215 S C 2.112 176.805 174.600 0.155 0.000 1.062 215 S CA -0.458 57.774 58.200 0.052 0.000 0.913 215 S CB 0.235 63.570 63.200 0.225 0.000 0.837 215 S HN 0.326 nan 8.310 nan 0.000 0.487 216 R N 2.082 122.624 120.500 0.071 0.000 2.134 216 R HA -0.161 4.179 4.340 -0.001 0.000 0.248 216 R C 0.933 177.046 176.300 -0.313 0.000 1.143 216 R CA 1.899 57.939 56.100 -0.101 0.000 0.957 216 R CB -0.568 29.684 30.300 -0.079 0.000 0.867 216 R HN 0.321 nan 8.270 nan 0.000 0.441 217 D N 0.427 120.716 120.400 -0.185 0.000 2.348 217 D HA -0.054 4.586 4.640 -0.001 0.000 0.216 217 D C 1.528 177.712 176.300 -0.194 0.000 0.970 217 D CA 0.757 54.638 54.000 -0.198 0.000 0.889 217 D CB -0.009 40.692 40.800 -0.164 0.000 0.912 217 D HN 0.271 nan 8.370 nan 0.000 0.524 218 L N -0.233 120.928 121.223 -0.104 0.000 2.599 218 L HA 0.120 4.459 4.340 -0.001 0.000 0.230 218 L C 0.055 177.055 176.870 0.216 0.000 1.141 218 L CA 0.032 54.873 54.840 0.001 0.000 0.877 218 L CB -0.415 41.662 42.059 0.031 0.000 1.009 218 L HN -0.034 nan 8.230 nan 0.000 0.447 219 F N -4.194 115.754 119.950 -0.004 0.000 2.686 219 F HA 0.574 5.100 4.527 -0.001 0.000 0.311 219 F C 0.379 176.199 175.800 0.034 0.000 1.128 219 F CA -1.398 56.619 58.000 0.028 0.000 0.946 219 F CB 1.172 40.189 39.000 0.028 0.000 1.336 219 F HN -0.410 nan 8.300 nan 0.000 0.457 220 R N 0.787 121.360 120.500 0.120 0.000 2.062 220 R HA 0.475 4.814 4.340 -0.001 0.000 0.218 220 R C 0.021 176.365 176.300 0.074 0.000 1.161 220 R CA 1.049 57.153 56.100 0.006 0.000 0.994 220 R CB 0.228 30.535 30.300 0.011 0.000 0.888 220 R HN 0.794 nan 8.270 nan 0.000 0.442 221 R N -1.320 119.308 120.500 0.213 0.000 2.930 221 R HA 0.770 5.109 4.340 -0.001 0.000 0.257 221 R C -1.408 175.134 176.300 0.404 0.000 1.107 221 R CA -0.733 55.502 56.100 0.224 0.000 0.999 221 R CB 2.137 32.377 30.300 -0.100 0.000 1.209 221 R HN 0.241 nan 8.270 nan 0.000 0.486 222 A N 1.025 124.084 122.820 0.398 0.000 2.549 222 A HA 0.684 5.004 4.320 -0.001 0.000 0.297 222 A C -1.234 176.493 177.584 0.238 0.000 1.061 222 A CA -0.634 51.575 52.037 0.287 0.000 0.690 222 A CB 1.322 20.447 19.000 0.209 0.000 1.287 222 A HN 0.564 nan 8.150 nan 0.000 0.402 223 I N 1.683 122.349 120.570 0.160 0.000 2.447 223 I HA 0.388 4.557 4.170 -0.001 0.000 0.287 223 I C -1.485 174.699 176.117 0.112 0.000 1.023 223 I CA -0.581 60.747 61.300 0.046 0.000 1.083 223 I CB 1.850 39.858 38.000 0.014 0.000 1.245 223 I HN 0.432 nan 8.210 nan 0.000 0.434 224 L N 6.719 127.978 121.223 0.060 0.000 2.319 224 L HA 0.450 4.789 4.340 -0.001 0.000 0.281 224 L C -0.462 176.504 176.870 0.159 0.000 1.005 224 L CA -0.244 54.629 54.840 0.056 0.000 0.828 224 L CB 1.522 43.543 42.059 -0.064 0.000 1.227 224 L HN 0.491 nan 8.230 nan 0.000 0.415 225 Q N 1.825 121.769 119.800 0.240 0.000 2.348 225 Q HA 0.459 4.799 4.340 -0.001 0.000 0.265 225 Q C 0.009 176.152 176.000 0.239 0.000 0.998 225 Q CA -0.568 55.451 55.803 0.360 0.000 0.831 225 Q CB 1.544 30.597 28.738 0.525 0.000 1.251 225 Q HN 0.653 nan 8.270 nan 0.000 0.456 226 S N 1.075 116.893 115.700 0.197 0.000 3.559 226 S HA -0.180 4.289 4.470 -0.001 0.000 0.369 226 S C 0.018 174.727 174.600 0.183 0.000 0.987 226 S CA 0.587 58.902 58.200 0.191 0.000 1.187 226 S CB -1.125 62.247 63.200 0.286 0.000 0.914 226 S HN 0.928 nan 8.310 nan 0.000 0.480 227 G N -0.664 108.193 108.800 0.096 0.000 2.755 227 G HA2 0.595 4.554 3.960 -0.001 0.000 0.297 227 G HA3 0.595 4.554 3.960 -0.001 0.000 0.297 227 G C -1.238 173.583 174.900 -0.132 0.000 1.441 227 G CA -0.173 44.965 45.100 0.063 0.000 0.964 227 G HN 0.328 nan 8.290 nan 0.000 0.540 228 S N 1.275 116.826 115.700 -0.249 0.000 2.540 228 S HA 0.705 5.175 4.470 -0.001 0.000 0.275 228 S C -1.711 172.597 174.600 -0.486 0.000 1.123 228 S CA -1.156 56.776 58.200 -0.446 0.000 0.907 228 S CB 2.727 65.733 63.200 -0.324 0.000 1.081 228 S HN 0.420 nan 8.310 nan 0.000 0.476 229 P HA -0.093 nan 4.420 nan 0.000 0.220 229 P C 0.562 177.626 177.300 -0.395 0.000 1.148 229 P CA 1.038 63.898 63.100 -0.399 0.000 0.803 229 P CB -0.136 31.376 31.700 -0.314 0.000 0.782 230 N N -0.819 117.680 118.700 -0.336 0.000 2.383 230 N HA -0.018 4.722 4.740 -0.001 0.000 0.192 230 N C 0.066 175.355 175.510 -0.368 0.000 1.141 230 N CA -0.186 52.703 53.050 -0.268 0.000 0.851 230 N CB -1.287 37.160 38.487 -0.067 0.000 0.976 230 N HN 0.017 nan 8.380 nan 0.000 0.465 231 C N 3.046 122.016 119.300 -0.550 0.000 2.634 231 C HA 0.084 4.544 4.460 -0.001 0.000 0.417 231 C C -0.219 174.306 174.990 -0.775 0.000 1.334 231 C CA -0.900 57.666 59.018 -0.753 0.000 1.829 231 C CB 1.028 28.038 27.740 -1.216 0.000 2.665 231 C HN 0.362 nan 8.230 nan 0.000 0.614 232 P HA -0.119 nan 4.420 nan 0.000 0.223 232 P C 1.105 178.239 177.300 -0.276 0.000 1.144 232 P CA 1.812 64.677 63.100 -0.391 0.000 0.783 232 P CB -0.066 31.403 31.700 -0.385 0.000 0.771 233 W N -1.690 119.488 121.300 -0.203 0.000 3.177 233 W HA 0.575 5.234 4.660 -0.001 0.000 0.309 233 W C 1.129 177.697 176.519 0.082 0.000 1.224 233 W CA 0.337 57.632 57.345 -0.084 0.000 1.718 233 W CB -0.943 28.494 29.460 -0.040 0.000 1.078 233 W HN -0.130 nan 8.180 nan 0.000 0.618 234 A N 1.487 123.952 122.820 -0.593 0.000 2.208 234 A HA 0.192 4.511 4.320 -0.001 0.000 0.209 234 A C 0.983 178.350 177.584 -0.363 0.000 1.161 234 A CA 1.147 52.941 52.037 -0.405 0.000 0.782 234 A CB -0.544 17.999 19.000 -0.763 0.000 0.816 234 A HN 0.226 nan 8.150 nan 0.000 0.477 235 S N -1.745 113.761 115.700 -0.323 0.000 2.588 235 S HA 0.631 5.100 4.470 -0.001 0.000 0.269 235 S C -0.856 173.614 174.600 -0.217 0.000 1.157 235 S CA -0.079 57.930 58.200 -0.317 0.000 0.824 235 S CB 1.289 64.244 63.200 -0.408 0.000 1.126 235 S HN 1.318 nan 8.310 nan 0.000 0.464 236 V N -0.826 118.980 119.914 -0.179 0.000 3.130 236 V HA 0.938 5.057 4.120 -0.001 0.000 0.310 236 V C 0.227 176.251 176.094 -0.115 0.000 1.158 236 V CA -0.437 61.785 62.300 -0.130 0.000 1.029 236 V CB 1.142 32.899 31.823 -0.109 0.000 1.057 236 V HN 1.532 nan 8.190 nan 0.000 0.436 237 S N 0.903 116.546 115.700 -0.096 0.000 2.600 237 S HA 0.299 4.769 4.470 -0.001 0.000 0.265 237 S C 1.305 175.858 174.600 -0.078 0.000 1.325 237 S CA 0.044 58.191 58.200 -0.087 0.000 1.002 237 S CB 1.231 64.389 63.200 -0.069 0.000 0.921 237 S HN 2.110 nan 8.310 nan 0.000 0.554 238 V N -1.129 118.729 119.914 -0.093 0.000 2.515 238 V HA 0.028 4.148 4.120 -0.001 0.000 0.250 238 V C 2.535 178.611 176.094 -0.030 0.000 1.058 238 V CA 1.570 63.822 62.300 -0.081 0.000 1.064 238 V CB -2.047 29.654 31.823 -0.204 0.000 0.675 238 V HN 0.998 nan 8.190 nan 0.000 0.461 239 A N 0.701 123.498 122.820 -0.037 0.000 1.873 239 A HA -0.181 4.139 4.320 -0.001 0.000 0.215 239 A C 2.215 179.775 177.584 -0.039 0.000 1.186 239 A CA 1.912 53.933 52.037 -0.026 0.000 0.616 239 A CB -0.640 18.343 19.000 -0.027 0.000 0.823 239 A HN 0.604 nan 8.150 nan 0.000 0.442 240 E N 0.173 120.339 120.200 -0.057 0.000 2.106 240 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 240 E C 1.952 178.508 176.600 -0.074 0.000 0.984 240 E CA 1.526 57.877 56.400 -0.082 0.000 0.806 240 E CB -0.799 28.843 29.700 -0.097 0.000 0.750 240 E HN 0.396 nan 8.360 nan 0.000 0.458 241 G N 0.525 109.298 108.800 -0.045 0.000 2.418 241 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.217 241 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.217 241 G C 1.771 176.678 174.900 0.012 0.000 1.158 241 G CA 0.812 45.909 45.100 -0.006 0.000 0.771 241 G HN 0.315 nan 8.290 nan 0.000 0.545 242 R N 0.159 120.662 120.500 0.005 0.000 2.075 242 R HA 0.025 4.364 4.340 -0.001 0.000 0.232 242 R C 2.572 178.866 176.300 -0.011 0.000 1.126 242 R CA 1.152 57.255 56.100 0.005 0.000 0.963 242 R CB -0.337 29.971 30.300 0.013 0.000 0.858 242 R HN 0.249 nan 8.270 nan 0.000 0.435 243 R N 0.675 121.157 120.500 -0.031 0.000 2.080 243 R HA -0.156 4.184 4.340 -0.001 0.000 0.236 243 R C 2.164 178.433 176.300 -0.051 0.000 1.137 243 R CA 2.027 58.098 56.100 -0.049 0.000 0.943 243 R CB -0.154 30.099 30.300 -0.078 0.000 0.846 243 R HN 0.290 nan 8.270 nan 0.000 0.431 244 R N -0.392 120.071 120.500 -0.061 0.000 2.115 244 R HA -0.038 4.301 4.340 -0.001 0.000 0.230 244 R C 2.290 178.632 176.300 0.070 0.000 1.111 244 R CA 1.108 57.170 56.100 -0.064 0.000 0.976 244 R CB -0.240 29.944 30.300 -0.193 0.000 0.870 244 R HN 0.252 nan 8.270 nan 0.000 0.445 245 A N 0.739 123.613 122.820 0.089 0.000 1.898 245 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 245 A C 2.321 179.905 177.584 0.000 0.000 1.181 245 A CA 1.207 53.280 52.037 0.059 0.000 0.620 245 A CB -0.400 18.585 19.000 -0.025 0.000 0.819 245 A HN 0.098 nan 8.150 nan 0.000 0.442 246 V N -0.028 119.882 119.914 -0.007 0.000 2.358 246 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 246 V C 2.571 178.662 176.094 -0.005 0.000 1.047 246 V CA 2.293 64.586 62.300 -0.013 0.000 1.035 246 V CB -0.675 31.139 31.823 -0.015 0.000 0.658 246 V HN 0.669 nan 8.190 nan 0.000 0.452 247 E N 0.303 120.500 120.200 -0.005 0.000 2.153 247 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 247 E C 1.893 178.504 176.600 0.018 0.000 0.988 247 E CA 1.114 57.511 56.400 -0.006 0.000 0.811 247 E CB -0.374 29.308 29.700 -0.031 0.000 0.746 247 E HN 0.456 nan 8.360 nan 0.000 0.466 248 L N -0.446 120.805 121.223 0.047 0.000 2.056 248 L HA 0.064 4.404 4.340 -0.001 0.000 0.207 248 L C 2.174 179.058 176.870 0.023 0.000 1.078 248 L CA 2.273 57.155 54.840 0.070 0.000 0.749 248 L CB -0.954 41.180 42.059 0.124 0.000 0.901 248 L HN 0.227 nan 8.230 nan 0.000 0.433 249 G N -1.039 107.762 108.800 0.001 0.000 2.422 249 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 249 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 249 G C 1.808 176.712 174.900 0.007 0.000 1.146 249 G CA 0.702 45.799 45.100 -0.005 0.000 0.769 249 G HN 0.394 nan 8.290 nan 0.000 0.547 250 R N 0.359 120.864 120.500 0.008 0.000 2.115 250 R HA 0.005 4.345 4.340 -0.001 0.000 0.230 250 R C 2.169 178.479 176.300 0.016 0.000 1.111 250 R CA 1.120 57.226 56.100 0.010 0.000 0.976 250 R CB -0.285 30.018 30.300 0.005 0.000 0.870 250 R HN 0.300 nan 8.270 nan 0.000 0.445 251 N N 0.206 118.920 118.700 0.022 0.000 2.396 251 N HA -0.092 4.647 4.740 -0.001 0.000 0.180 251 N C 0.843 176.372 175.510 0.033 0.000 1.028 251 N CA 0.844 53.913 53.050 0.032 0.000 0.893 251 N CB 0.200 38.714 38.487 0.044 0.000 0.967 251 N HN 0.249 nan 8.380 nan 0.000 0.440 252 L N 0.567 121.806 121.223 0.026 0.000 2.818 252 L HA 0.201 4.541 4.340 -0.001 0.000 0.243 252 L C -0.584 176.297 176.870 0.019 0.000 1.185 252 L CA -0.129 54.725 54.840 0.024 0.000 0.988 252 L CB -0.306 41.765 42.059 0.021 0.000 1.292 252 L HN 0.025 nan 8.230 nan 0.000 0.519 253 N N -0.907 117.805 118.700 0.019 0.000 2.696 253 N HA -0.181 4.558 4.740 -0.001 0.000 0.256 253 N C -0.444 175.076 175.510 0.017 0.000 1.031 253 N CA 0.229 53.289 53.050 0.018 0.000 0.730 253 N CB -1.456 37.042 38.487 0.019 0.000 0.894 253 N HN 0.264 nan 8.380 nan 0.000 0.544 254 c N 0.648 119.257 118.600 0.015 0.000 2.364 254 c HA 0.362 4.932 4.570 -0.001 0.000 0.356 254 c C 1.062 175.165 174.090 0.021 0.000 1.201 254 c CA -1.067 55.272 56.329 0.017 0.000 2.227 254 c CB 1.115 43.632 42.510 0.011 0.000 2.387 254 c HN 0.524 nan 8.230 nan 0.000 0.546 255 N N 1.955 120.673 118.700 0.031 0.000 2.431 255 N HA 0.108 4.847 4.740 -0.001 0.000 0.265 255 N C 0.050 175.575 175.510 0.025 0.000 1.184 255 N CA 0.221 53.290 53.050 0.031 0.000 0.943 255 N CB 0.410 38.924 38.487 0.045 0.000 1.080 255 N HN 0.623 nan 8.380 nan 0.000 0.477 256 L N 2.600 123.833 121.223 0.016 0.000 2.741 256 L HA 0.086 4.425 4.340 -0.001 0.000 0.237 256 L C 1.500 178.375 176.870 0.009 0.000 1.178 256 L CA -0.210 54.636 54.840 0.010 0.000 0.973 256 L CB -0.411 41.651 42.059 0.005 0.000 1.255 256 L HN 0.376 nan 8.230 nan 0.000 0.498 257 N N -0.275 118.432 118.700 0.012 0.000 2.331 257 N HA -0.047 4.693 4.740 -0.001 0.000 0.180 257 N C 0.789 176.304 175.510 0.008 0.000 1.019 257 N CA 0.841 53.897 53.050 0.010 0.000 0.881 257 N CB 0.230 38.724 38.487 0.011 0.000 0.972 257 N HN 0.629 nan 8.380 nan 0.000 0.435 258 S N -1.504 114.203 115.700 0.011 0.000 2.596 258 S HA 0.420 4.889 4.470 -0.001 0.000 0.270 258 S C -0.467 174.139 174.600 0.010 0.000 1.155 258 S CA -0.771 57.434 58.200 0.008 0.000 0.827 258 S CB 1.585 64.790 63.200 0.008 0.000 1.130 258 S HN -0.083 nan 8.310 nan 0.000 0.467 259 D N 0.980 121.382 120.400 0.004 0.000 2.178 259 D HA -0.003 4.637 4.640 -0.001 0.000 0.202 259 D C 1.491 177.802 176.300 0.017 0.000 0.974 259 D CA 1.442 55.443 54.000 0.001 0.000 0.841 259 D CB -0.142 40.654 40.800 -0.008 0.000 0.953 259 D HN 0.682 nan 8.370 nan 0.000 0.478 260 E N 0.696 120.910 120.200 0.023 0.000 2.077 260 E HA -0.132 4.217 4.350 -0.001 0.000 0.193 260 E C 1.934 178.578 176.600 0.074 0.000 0.989 260 E CA 0.909 57.332 56.400 0.039 0.000 0.800 260 E CB -0.117 29.593 29.700 0.017 0.000 0.746 260 E HN 0.418 nan 8.360 nan 0.000 0.452 261 E N -0.228 120.009 120.200 0.061 0.000 2.158 261 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 261 E C 1.895 178.554 176.600 0.097 0.000 0.982 261 E CA 0.327 56.784 56.400 0.094 0.000 0.823 261 E CB -0.008 29.728 29.700 0.061 0.000 0.766 261 E HN 0.098 nan 8.360 nan 0.000 0.468 262 L N 1.174 122.429 121.223 0.053 0.000 2.005 262 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 262 L C 1.994 178.883 176.870 0.033 0.000 1.072 262 L CA 1.594 56.449 54.840 0.025 0.000 0.744 262 L CB -0.323 41.731 42.059 -0.007 0.000 0.895 262 L HN 0.073 nan 8.230 nan 0.000 0.433 263 I N -0.826 119.773 120.570 0.048 0.000 2.286 263 I HA -0.309 3.861 4.170 -0.001 0.000 0.248 263 I C 2.545 178.755 176.117 0.154 0.000 1.115 263 I CA 1.481 62.838 61.300 0.094 0.000 1.392 263 I CB -0.528 37.530 38.000 0.096 0.000 1.065 263 I HN 0.470 nan 8.210 nan 0.000 0.418 264 H N 0.344 119.451 119.070 0.062 0.000 2.353 264 H HA -0.228 4.328 4.556 -0.001 0.000 0.300 264 H C 2.380 177.741 175.328 0.056 0.000 1.090 264 H CA 2.085 58.166 56.048 0.055 0.000 1.327 264 H CB -0.428 29.354 29.762 0.034 0.000 1.383 264 H HN 0.450 nan 8.280 nan 0.000 0.508 265 c N 0.114 118.665 118.600 -0.082 0.000 2.436 265 c HA -0.094 4.475 4.570 -0.001 0.000 0.277 265 c C 2.787 176.831 174.090 -0.077 0.000 1.241 265 c CA 1.132 57.389 56.329 -0.120 0.000 1.721 265 c CB -1.449 41.055 42.510 -0.009 0.000 2.043 265 c HN 0.680 nan 8.230 nan 0.000 0.472 266 L N 0.339 121.572 121.223 0.017 0.000 2.127 266 L HA -0.131 4.208 4.340 -0.001 0.000 0.211 266 L C 2.992 179.927 176.870 0.109 0.000 1.089 266 L CA 1.601 56.502 54.840 0.101 0.000 0.757 266 L CB -0.696 41.468 42.059 0.175 0.000 0.899 266 L HN 0.391 nan 8.230 nan 0.000 0.434 267 R N -0.398 120.134 120.500 0.053 0.000 2.148 267 R HA -0.079 4.260 4.340 -0.001 0.000 0.223 267 R C 1.918 178.164 176.300 -0.092 0.000 1.088 267 R CA 0.617 56.684 56.100 -0.054 0.000 0.985 267 R CB -0.008 30.273 30.300 -0.031 0.000 0.880 267 R HN 0.323 nan 8.270 nan 0.000 0.451 268 E N 0.771 120.886 120.200 -0.141 0.000 2.358 268 E HA -0.010 4.340 4.350 -0.001 0.000 0.195 268 E C 0.074 176.640 176.600 -0.056 0.000 1.010 268 E CA 0.594 56.919 56.400 -0.125 0.000 0.856 268 E CB 0.193 29.770 29.700 -0.205 0.000 0.795 268 E HN 0.073 nan 8.360 nan 0.000 0.504 269 K N 1.836 122.217 120.400 -0.033 0.000 2.326 269 K HA 0.158 4.478 4.320 -0.001 0.000 0.275 269 K C 0.422 177.040 176.600 0.030 0.000 1.018 269 K CA -0.051 56.239 56.287 0.005 0.000 0.962 269 K CB 0.858 33.369 32.500 0.018 0.000 0.953 269 K HN -0.069 nan 8.250 nan 0.000 0.475 270 K N 2.859 123.285 120.400 0.044 0.000 2.319 270 K HA 0.010 4.330 4.320 -0.001 0.000 0.265 270 K C -1.561 175.115 176.600 0.125 0.000 1.000 270 K CA -1.415 54.909 56.287 0.063 0.000 0.943 270 K CB 0.117 32.648 32.500 0.050 0.000 0.950 270 K HN 0.187 nan 8.250 nan 0.000 0.485 271 P HA -0.252 nan 4.420 nan 0.000 0.215 271 P C 1.119 178.618 177.300 0.331 0.000 1.163 271 P CA 1.328 64.640 63.100 0.353 0.000 0.894 271 P CB 0.223 31.995 31.700 0.120 0.000 0.791 272 Q N -0.002 119.910 119.800 0.188 0.000 2.291 272 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 272 Q C 1.831 177.925 176.000 0.157 0.000 0.976 272 Q CA 1.573 57.476 55.803 0.167 0.000 0.875 272 Q CB -0.804 28.000 28.738 0.109 0.000 0.927 272 Q HN 0.370 nan 8.270 nan 0.000 0.450 273 E N -0.672 119.607 120.200 0.131 0.000 2.106 273 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 273 E C 1.817 178.476 176.600 0.099 0.000 0.984 273 E CA 1.073 57.534 56.400 0.101 0.000 0.806 273 E CB -0.057 29.686 29.700 0.072 0.000 0.750 273 E HN 0.397 nan 8.360 nan 0.000 0.458 274 L N 0.587 121.865 121.223 0.092 0.000 2.109 274 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 274 L C 2.441 179.370 176.870 0.098 0.000 1.086 274 L CA 0.715 55.570 54.840 0.026 0.000 0.760 274 L CB -0.350 41.614 42.059 -0.159 0.000 0.910 274 L HN 0.119 nan 8.230 nan 0.000 0.437 275 I N 0.022 120.710 120.570 0.196 0.000 2.286 275 I HA -0.268 3.902 4.170 -0.001 0.000 0.248 275 I C 2.060 178.354 176.117 0.296 0.000 1.115 275 I CA 1.060 62.531 61.300 0.284 0.000 1.392 275 I CB -0.405 37.805 38.000 0.350 0.000 1.065 275 I HN 0.244 nan 8.210 nan 0.000 0.418 276 D N 0.614 121.154 120.400 0.234 0.000 2.123 276 D HA -0.139 4.500 4.640 -0.001 0.000 0.196 276 D C 2.030 178.462 176.300 0.220 0.000 0.992 276 D CA 1.683 55.817 54.000 0.223 0.000 0.833 276 D CB -0.065 40.829 40.800 0.156 0.000 0.954 276 D HN 0.369 nan 8.370 nan 0.000 0.455 277 V N -1.880 118.138 119.914 0.173 0.000 3.621 277 V HA 0.172 4.292 4.120 -0.001 0.000 0.285 277 V C 1.815 177.995 176.094 0.143 0.000 1.346 277 V CA 0.269 62.658 62.300 0.149 0.000 1.104 277 V CB 0.138 32.022 31.823 0.103 0.000 0.913 277 V HN -0.003 nan 8.190 nan 0.000 0.432 278 E N 0.938 121.221 120.200 0.139 0.000 2.086 278 E HA -0.287 4.063 4.350 -0.001 0.000 0.200 278 E C 1.561 178.061 176.600 -0.167 0.000 1.012 278 E CA 2.747 59.163 56.400 0.026 0.000 0.812 278 E CB -0.254 29.388 29.700 -0.098 0.000 0.743 278 E HN 0.819 nan 8.360 nan 0.000 0.453 279 W N 0.610 121.904 121.300 -0.010 0.000 2.937 279 W HA 0.063 4.723 4.660 -0.001 0.000 0.245 279 W C 1.594 178.068 176.519 -0.074 0.000 1.306 279 W CA -0.056 57.234 57.345 -0.090 0.000 1.470 279 W CB 0.018 29.396 29.460 -0.136 0.000 1.132 279 W HN 0.084 nan 8.180 nan 0.000 0.675 280 N N 0.246 119.026 118.700 0.134 0.000 2.550 280 N HA -0.094 4.646 4.740 -0.001 0.000 0.186 280 N C 1.751 177.260 175.510 -0.000 0.000 1.110 280 N CA 1.340 54.432 53.050 0.070 0.000 0.912 280 N CB -0.436 38.093 38.487 0.071 0.000 0.968 280 N HN 0.263 nan 8.380 nan 0.000 0.448 281 V N -2.177 117.703 119.914 -0.057 0.000 3.608 281 V HA 0.231 4.350 4.120 -0.001 0.000 0.269 281 V C 0.807 176.789 176.094 -0.187 0.000 1.245 281 V CA -0.059 62.166 62.300 -0.125 0.000 1.138 281 V CB -0.607 31.117 31.823 -0.164 0.000 0.841 281 V HN -0.016 nan 8.190 nan 0.000 0.451 282 L N 2.300 123.428 121.223 -0.160 0.000 2.485 282 L HA 0.182 4.522 4.340 -0.001 0.000 0.275 282 L C -0.260 176.467 176.870 -0.238 0.000 1.207 282 L CA -0.771 53.959 54.840 -0.184 0.000 0.855 282 L CB 0.520 42.531 42.059 -0.081 0.000 1.114 282 L HN 0.169 nan 8.230 nan 0.000 0.485 283 P HA -0.051 nan 4.420 nan 0.000 0.220 283 P C -0.071 176.772 177.300 -0.763 0.000 1.152 283 P CA 1.167 63.846 63.100 -0.702 0.000 0.812 283 P CB 0.286 31.329 31.700 -1.095 0.000 0.792 284 F N -0.606 119.303 119.950 -0.068 0.000 2.611 284 F HA 0.369 4.895 4.527 -0.001 0.000 0.324 284 F C 0.406 176.195 175.800 -0.019 0.000 1.061 284 F CA -1.437 56.537 58.000 -0.044 0.000 0.954 284 F CB 0.773 39.751 39.000 -0.038 0.000 1.301 284 F HN -0.350 nan 8.300 nan 0.000 0.482 285 D N 1.702 122.236 120.400 0.222 0.000 2.344 285 D HA 0.352 4.991 4.640 -0.001 0.000 0.253 285 D C -0.673 175.701 176.300 0.123 0.000 1.255 285 D CA 0.338 54.412 54.000 0.123 0.000 0.894 285 D CB 0.291 41.148 40.800 0.094 0.000 1.067 285 D HN 0.625 nan 8.370 nan 0.000 0.492 286 S N 2.741 118.502 115.700 0.101 0.000 2.656 286 S HA 0.736 5.205 4.470 -0.001 0.000 0.273 286 S C -0.352 174.280 174.600 0.055 0.000 1.168 286 S CA -1.027 57.223 58.200 0.083 0.000 0.817 286 S CB 0.784 64.053 63.200 0.116 0.000 1.146 286 S HN 0.462 nan 8.310 nan 0.000 0.475 287 I N -3.054 117.549 120.570 0.054 0.000 2.785 287 I HA 0.815 4.984 4.170 -0.001 0.000 0.302 287 I C -0.420 175.725 176.117 0.046 0.000 1.069 287 I CA -1.070 60.271 61.300 0.067 0.000 1.045 287 I CB 1.437 39.507 38.000 0.117 0.000 1.236 287 I HN 0.782 nan 8.210 nan 0.000 0.429 288 F N 1.981 121.768 119.950 -0.272 0.000 3.043 288 F HA -0.162 4.365 4.527 -0.001 0.000 0.290 288 F C -0.394 174.829 175.800 -0.962 0.000 0.844 288 F CA 0.518 58.076 58.000 -0.738 0.000 1.184 288 F CB -0.646 37.938 39.000 -0.694 0.000 1.246 288 F HN 0.634 nan 8.300 nan 0.000 0.536 289 R N 0.482 120.515 120.500 -0.780 0.000 2.575 289 R HA 0.639 4.979 4.340 -0.001 0.000 0.293 289 R C -0.988 174.830 176.300 -0.804 0.000 0.983 289 R CA -0.528 55.158 56.100 -0.688 0.000 0.887 289 R CB 1.241 31.422 30.300 -0.199 0.000 1.184 289 R HN -0.010 nan 8.270 nan 0.000 0.445 290 F N -0.558 119.467 119.950 0.126 0.000 2.532 290 F HA 0.372 4.898 4.527 -0.001 0.000 0.321 290 F C 1.593 177.269 175.800 -0.206 0.000 1.089 290 F CA -0.884 57.098 58.000 -0.031 0.000 0.926 290 F CB 1.624 40.719 39.000 0.159 0.000 1.168 290 F HN 0.355 nan 8.300 nan 0.000 0.459 291 S N 0.809 116.301 115.700 -0.347 0.000 2.365 291 S HA -0.132 4.337 4.470 -0.001 0.000 0.221 291 S C 0.181 174.303 174.600 -0.797 0.000 1.037 291 S CA 1.372 59.153 58.200 -0.698 0.000 1.060 291 S CB -0.346 62.215 63.200 -1.065 0.000 0.974 291 S HN 0.368 nan 8.310 nan 0.000 0.427 292 F N 1.940 121.882 119.950 -0.012 0.000 2.308 292 F HA 0.556 5.082 4.527 -0.001 0.000 0.370 292 F C 0.120 175.944 175.800 0.039 0.000 1.100 292 F CA -1.009 57.028 58.000 0.061 0.000 1.108 292 F CB 0.747 39.821 39.000 0.123 0.000 1.293 292 F HN -0.049 nan 8.300 nan 0.000 0.478 293 V N 0.660 120.565 119.914 -0.014 0.000 3.158 293 V HA 0.755 4.875 4.120 -0.001 0.000 0.311 293 V C -2.868 172.945 176.094 -0.468 0.000 1.181 293 V CA -3.422 58.584 62.300 -0.489 0.000 1.054 293 V CB 1.961 33.640 31.823 -0.240 0.000 1.085 293 V HN 0.231 nan 8.190 nan 0.000 0.446 294 P HA 0.156 nan 4.420 nan 0.000 0.265 294 P C -0.735 176.481 177.300 -0.140 0.000 1.187 294 P CA 0.451 63.370 63.100 -0.303 0.000 0.766 294 P CB 0.616 32.046 31.700 -0.449 0.000 0.820 295 V N 4.920 124.845 119.914 0.018 0.000 2.581 295 V HA 0.325 4.445 4.120 -0.001 0.000 0.303 295 V C -0.235 175.898 176.094 0.065 0.000 1.041 295 V CA -0.920 61.381 62.300 0.001 0.000 0.907 295 V CB 1.232 33.073 31.823 0.031 0.000 0.994 295 V HN 0.238 nan 8.190 nan 0.000 0.442 296 I N 6.886 127.434 120.570 -0.036 0.000 2.278 296 I HA 0.205 4.374 4.170 -0.001 0.000 0.300 296 I C 1.004 177.125 176.117 0.008 0.000 1.174 296 I CA 0.088 61.393 61.300 0.008 0.000 1.347 296 I CB -0.202 37.730 38.000 -0.113 0.000 1.473 296 I HN 0.814 nan 8.210 nan 0.000 0.595 297 D N 3.151 123.610 120.400 0.098 0.000 2.348 297 D HA 0.010 4.650 4.640 -0.001 0.000 0.211 297 D C 1.460 177.765 176.300 0.010 0.000 0.998 297 D CA 0.869 54.839 54.000 -0.051 0.000 0.873 297 D CB 0.394 41.265 40.800 0.118 0.000 0.925 297 D HN 0.627 nan 8.370 nan 0.000 0.524 298 G N 0.359 109.223 108.800 0.106 0.000 2.199 298 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.254 298 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.254 298 G C 0.881 175.852 174.900 0.117 0.000 0.982 298 G CA 0.593 45.755 45.100 0.103 0.000 0.632 298 G HN 0.478 nan 8.290 nan 0.000 0.529 299 E N -1.173 119.112 120.200 0.143 0.000 2.175 299 E HA 0.352 4.702 4.350 -0.001 0.000 0.193 299 E C 1.917 178.547 176.600 0.051 0.000 0.962 299 E CA -0.010 56.452 56.400 0.104 0.000 0.981 299 E CB -0.052 29.728 29.700 0.134 0.000 1.093 299 E HN 0.250 nan 8.360 nan 0.000 0.483 300 F N 0.980 120.871 119.950 -0.099 0.000 2.102 300 F HA -0.061 4.466 4.527 -0.001 0.000 0.298 300 F C 0.326 175.855 175.800 -0.451 0.000 1.105 300 F CA 1.173 58.978 58.000 -0.325 0.000 1.239 300 F CB 0.251 38.959 39.000 -0.487 0.000 0.991 300 F HN -0.135 nan 8.300 nan 0.000 0.474 301 F N 0.729 120.828 119.950 0.248 0.000 2.347 301 F HA 0.353 4.880 4.527 -0.001 0.000 0.366 301 F C -1.616 174.225 175.800 0.068 0.000 1.107 301 F CA -2.807 55.276 58.000 0.139 0.000 1.058 301 F CB 0.598 39.677 39.000 0.131 0.000 1.236 301 F HN -0.226 nan 8.300 nan 0.000 0.456 302 P HA -0.122 nan 4.420 nan 0.000 0.214 302 P C 0.429 177.789 177.300 0.100 0.000 1.163 302 P CA 1.901 65.060 63.100 0.098 0.000 0.889 302 P CB 0.162 31.898 31.700 0.059 0.000 0.790 303 T N -6.223 108.397 114.554 0.111 0.000 2.669 303 T HA 0.465 4.815 4.350 -0.001 0.000 0.283 303 T C -0.269 174.472 174.700 0.068 0.000 1.019 303 T CA -0.707 61.436 62.100 0.072 0.000 1.039 303 T CB 0.665 69.561 68.868 0.047 0.000 1.374 303 T HN -0.002 nan 8.240 nan 0.000 0.523 304 S N 0.177 115.892 115.700 0.026 0.000 2.558 304 S HA 0.129 4.598 4.470 -0.001 0.000 0.288 304 S C 1.523 176.124 174.600 0.002 0.000 1.318 304 S CA -0.688 57.506 58.200 -0.011 0.000 1.056 304 S CB -0.434 62.758 63.200 -0.013 0.000 0.853 304 S HN 0.655 nan 8.310 nan 0.000 0.505 305 L N 0.728 121.915 121.223 -0.060 0.000 2.042 305 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 305 L C 2.931 179.834 176.870 0.056 0.000 1.076 305 L CA 2.029 56.851 54.840 -0.030 0.000 0.749 305 L CB -0.838 41.139 42.059 -0.137 0.000 0.893 305 L HN 0.809 nan 8.230 nan 0.000 0.432 306 E N 0.816 121.044 120.200 0.047 0.000 2.058 306 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 306 E C 2.266 178.928 176.600 0.102 0.000 0.997 306 E CA 1.924 58.385 56.400 0.102 0.000 0.801 306 E CB -0.170 29.578 29.700 0.079 0.000 0.746 306 E HN 0.492 nan 8.360 nan 0.000 0.450 307 S N -0.386 115.355 115.700 0.069 0.000 2.383 307 S HA -0.175 4.295 4.470 -0.001 0.000 0.227 307 S C 2.168 176.809 174.600 0.068 0.000 1.026 307 S CA 1.397 59.633 58.200 0.060 0.000 0.981 307 S CB -0.420 62.803 63.200 0.038 0.000 0.818 307 S HN 0.283 nan 8.310 nan 0.000 0.472 308 M N 0.922 120.578 119.600 0.094 0.000 2.117 308 M HA 0.036 4.516 4.480 -0.001 0.000 0.262 308 M C 2.250 178.679 176.300 0.215 0.000 1.065 308 M CA 1.375 56.752 55.300 0.128 0.000 1.114 308 M CB -0.640 32.070 32.600 0.184 0.000 1.361 308 M HN 0.310 nan 8.290 nan 0.000 0.408 309 L N -0.182 121.180 121.223 0.233 0.000 2.056 309 L HA -0.224 4.116 4.340 -0.001 0.000 0.207 309 L C 1.925 178.954 176.870 0.264 0.000 1.078 309 L CA 1.494 56.504 54.840 0.283 0.000 0.749 309 L CB -0.732 41.411 42.059 0.140 0.000 0.901 309 L HN 0.403 nan 8.230 nan 0.000 0.433 310 N N -0.560 118.237 118.700 0.163 0.000 2.142 310 N HA -0.173 4.567 4.740 -0.001 0.000 0.186 310 N C 1.848 177.423 175.510 0.108 0.000 1.023 310 N CA 1.503 54.648 53.050 0.158 0.000 0.852 310 N CB 0.007 38.564 38.487 0.116 0.000 0.998 310 N HN 0.281 nan 8.380 nan 0.000 0.424 311 S N -0.659 115.020 115.700 -0.036 0.000 2.522 311 S HA 0.158 4.627 4.470 -0.001 0.000 0.227 311 S C 1.498 175.705 174.600 -0.655 0.000 0.986 311 S CA 0.450 58.544 58.200 -0.177 0.000 0.929 311 S CB 0.164 63.289 63.200 -0.123 0.000 0.769 311 S HN 0.453 nan 8.310 nan 0.000 0.529 312 G N 1.819 110.001 108.800 -1.031 0.000 2.147 312 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.244 312 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.244 312 G C -0.017 174.009 174.900 -1.456 0.000 1.005 312 G CA 0.050 43.842 45.100 -2.181 0.000 0.713 312 G HN 0.615 nan 8.290 nan 0.000 0.515 313 N N 0.659 118.953 118.700 -0.676 0.000 3.050 313 N HA 0.506 5.245 4.740 -0.001 0.000 0.289 313 N C -0.099 175.360 175.510 -0.084 0.000 1.209 313 N CA -0.126 52.726 53.050 -0.330 0.000 1.154 313 N CB -0.907 37.508 38.487 -0.120 0.000 1.444 313 N HN 0.713 nan 8.380 nan 0.000 0.529 314 F N -1.281 118.614 119.950 -0.091 0.000 2.773 314 F HA 0.419 4.946 4.527 -0.001 0.000 0.314 314 F C -0.355 175.466 175.800 0.035 0.000 1.160 314 F CA -1.461 56.559 58.000 0.033 0.000 0.920 314 F CB 0.654 39.739 39.000 0.142 0.000 1.323 314 F HN -0.161 nan 8.300 nan 0.000 0.457 315 K N 2.021 122.676 120.400 0.425 0.000 2.412 315 K HA 0.199 4.519 4.320 -0.001 0.000 0.284 315 K C -0.990 175.858 176.600 0.415 0.000 1.046 315 K CA -0.197 56.251 56.287 0.268 0.000 0.999 315 K CB 0.451 33.055 32.500 0.174 0.000 0.941 315 K HN 0.732 nan 8.250 nan 0.000 0.474 316 K N 3.347 123.861 120.400 0.190 0.000 2.264 316 K HA 0.159 4.479 4.320 -0.001 0.000 0.277 316 K C -0.184 176.532 176.600 0.193 0.000 1.067 316 K CA -0.371 56.028 56.287 0.186 0.000 0.900 316 K CB 1.720 34.232 32.500 0.020 0.000 1.124 316 K HN 0.646 nan 8.250 nan 0.000 0.469 317 T N 1.425 116.181 114.554 0.337 0.000 2.630 317 T HA 0.182 4.532 4.350 -0.001 0.000 0.300 317 T C -1.520 173.385 174.700 0.342 0.000 1.261 317 T CA -0.652 61.598 62.100 0.249 0.000 1.060 317 T CB 0.928 69.903 68.868 0.179 0.000 1.670 317 T HN 0.432 nan 8.240 nan 0.000 0.473 318 Q N 1.029 120.990 119.800 0.269 0.000 2.222 318 Q HA 0.754 5.093 4.340 -0.001 0.000 0.252 318 Q C -0.382 175.899 176.000 0.469 0.000 0.926 318 Q CA -0.466 55.551 55.803 0.356 0.000 0.899 318 Q CB 1.391 30.312 28.738 0.305 0.000 1.250 318 Q HN 0.674 nan 8.270 nan 0.000 0.441 319 I N -1.365 119.452 120.570 0.412 0.000 2.769 319 I HA 0.683 4.853 4.170 -0.001 0.000 0.298 319 I C -1.519 174.533 176.117 -0.109 0.000 1.128 319 I CA -1.349 60.070 61.300 0.199 0.000 1.031 319 I CB 1.833 39.761 38.000 -0.121 0.000 1.235 319 I HN 0.540 nan 8.210 nan 0.000 0.423 320 L N 7.086 128.005 121.223 -0.507 0.000 2.376 320 L HA 0.775 5.115 4.340 -0.001 0.000 0.275 320 L C -1.281 175.410 176.870 -0.299 0.000 0.987 320 L CA -0.527 53.888 54.840 -0.708 0.000 0.828 320 L CB 1.567 42.634 42.059 -1.654 0.000 1.249 320 L HN 0.841 nan 8.230 nan 0.000 0.409 321 L N 2.502 123.686 121.223 -0.066 0.000 2.600 321 L HA 1.123 5.463 4.340 -0.001 0.000 0.257 321 L C -0.731 176.011 176.870 -0.214 0.000 1.048 321 L CA -0.444 54.391 54.840 -0.009 0.000 0.869 321 L CB 2.019 44.048 42.059 -0.050 0.000 1.482 321 L HN 0.652 nan 8.230 nan 0.000 0.408 322 G N -0.103 108.396 108.800 -0.502 0.000 2.342 322 G HA2 0.564 4.524 3.960 -0.001 0.000 0.297 322 G HA3 0.564 4.524 3.960 -0.001 0.000 0.297 322 G C -1.531 173.060 174.900 -0.515 0.000 1.313 322 G CA 0.010 44.485 45.100 -1.042 0.000 0.830 322 G HN 1.430 nan 8.290 nan 0.000 0.506 323 V N -2.518 117.214 119.914 -0.303 0.000 3.160 323 V HA 0.873 4.992 4.120 -0.001 0.000 0.310 323 V C -0.847 175.310 176.094 0.104 0.000 1.181 323 V CA -1.448 60.870 62.300 0.029 0.000 1.047 323 V CB 1.890 33.760 31.823 0.079 0.000 1.068 323 V HN 0.660 nan 8.190 nan 0.000 0.441 324 N N 0.796 119.580 118.700 0.140 0.000 2.489 324 N HA 0.423 5.163 4.740 -0.001 0.000 0.284 324 N C 0.615 176.068 175.510 -0.094 0.000 1.158 324 N CA -0.518 52.600 53.050 0.115 0.000 0.965 324 N CB 1.737 40.386 38.487 0.270 0.000 1.195 324 N HN 0.918 nan 8.380 nan 0.000 0.506 325 K N 0.179 120.419 120.400 -0.267 0.000 2.032 325 K HA -0.089 4.231 4.320 -0.001 0.000 0.209 325 K C -0.654 176.015 176.600 0.115 0.000 1.048 325 K CA 1.286 57.479 56.287 -0.157 0.000 0.927 325 K CB 0.162 32.608 32.500 -0.089 0.000 0.712 325 K HN 0.542 nan 8.250 nan 0.000 0.441 326 D N 1.553 122.025 120.400 0.120 0.000 2.485 326 D HA 0.048 4.687 4.640 -0.001 0.000 0.256 326 D C -0.156 176.256 176.300 0.186 0.000 1.141 326 D CA -0.058 54.033 54.000 0.151 0.000 0.942 326 D CB 1.423 42.288 40.800 0.109 0.000 1.003 326 D HN 0.170 nan 8.370 nan 0.000 0.507 327 E N 0.317 120.642 120.200 0.209 0.000 2.502 327 E HA 0.022 4.372 4.350 -0.001 0.000 0.194 327 E C 1.599 178.382 176.600 0.305 0.000 1.062 327 E CA 0.038 56.590 56.400 0.253 0.000 0.867 327 E CB 0.699 30.520 29.700 0.201 0.000 0.888 327 E HN 0.479 nan 8.360 nan 0.000 0.510 328 G N 0.842 109.795 108.800 0.256 0.000 2.781 328 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.208 328 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.208 328 G C 1.592 176.623 174.900 0.218 0.000 1.099 328 G CA 0.512 45.786 45.100 0.290 0.000 0.776 328 G HN 0.291 nan 8.290 nan 0.000 0.532 329 S N 0.555 116.328 115.700 0.122 0.000 2.392 329 S HA -0.178 4.291 4.470 -0.001 0.000 0.232 329 S C 2.040 176.545 174.600 -0.159 0.000 1.041 329 S CA 1.167 59.363 58.200 -0.006 0.000 1.026 329 S CB -0.655 62.435 63.200 -0.184 0.000 0.845 329 S HN 0.242 nan 8.310 nan 0.000 0.465 330 F N 1.086 120.891 119.950 -0.241 0.000 2.102 330 F HA 0.042 4.568 4.527 -0.001 0.000 0.298 330 F C 1.880 177.355 175.800 -0.541 0.000 1.105 330 F CA 1.496 59.184 58.000 -0.520 0.000 1.239 330 F CB -0.190 38.309 39.000 -0.834 0.000 0.991 330 F HN 0.177 nan 8.300 nan 0.000 0.474 331 F N -0.617 119.338 119.950 0.008 0.000 2.456 331 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 331 F C 1.925 177.711 175.800 -0.024 0.000 1.104 331 F CA 0.582 58.546 58.000 -0.060 0.000 1.435 331 F CB -0.748 38.103 39.000 -0.248 0.000 1.078 331 F HN -0.106 nan 8.300 nan 0.000 0.546 332 L N -0.736 120.479 121.223 -0.013 0.000 2.044 332 L HA -0.152 4.187 4.340 -0.001 0.000 0.205 332 L C 2.452 179.145 176.870 -0.294 0.000 1.075 332 L CA 0.556 55.160 54.840 -0.394 0.000 0.747 332 L CB -0.607 40.895 42.059 -0.929 0.000 0.903 332 L HN 0.154 nan 8.230 nan 0.000 0.435 333 L N -0.819 120.418 121.223 0.023 0.000 2.012 333 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 333 L C 2.346 179.375 176.870 0.264 0.000 1.073 333 L CA 2.059 57.094 54.840 0.327 0.000 0.748 333 L CB -0.725 41.537 42.059 0.338 0.000 0.891 333 L HN 0.121 nan 8.230 nan 0.000 0.431 334 Y N -0.726 119.639 120.300 0.107 0.000 2.373 334 Y HA 0.133 4.682 4.550 -0.001 0.000 0.293 334 Y C 2.301 178.225 175.900 0.039 0.000 1.129 334 Y CA 1.123 59.276 58.100 0.089 0.000 1.226 334 Y CB -0.306 38.176 38.460 0.035 0.000 1.000 334 Y HN 0.310 nan 8.280 nan 0.000 0.549 335 G N -1.818 107.084 108.800 0.170 0.000 2.797 335 G HA2 0.389 4.348 3.960 -0.001 0.000 0.209 335 G HA3 0.389 4.348 3.960 -0.001 0.000 0.209 335 G C 0.119 175.079 174.900 0.100 0.000 1.080 335 G CA 0.352 45.515 45.100 0.105 0.000 0.897 335 G HN 0.280 nan 8.290 nan 0.000 0.641 336 A N 1.877 124.762 122.820 0.108 0.000 2.327 336 A HA 0.707 5.027 4.320 -0.001 0.000 0.283 336 A C -2.262 175.513 177.584 0.318 0.000 1.127 336 A CA -1.317 50.830 52.037 0.184 0.000 0.810 336 A CB 0.541 19.618 19.000 0.129 0.000 1.066 336 A HN 0.110 nan 8.150 nan 0.000 0.492 337 P HA 0.262 nan 4.420 nan 0.000 0.271 337 P C 0.793 178.154 177.300 0.103 0.000 1.216 337 P CA 1.309 64.494 63.100 0.143 0.000 0.771 337 P CB 1.107 32.856 31.700 0.082 0.000 0.864 338 G N 1.780 110.576 108.800 -0.006 0.000 2.194 338 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.236 338 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.236 338 G C -0.276 174.379 174.900 -0.409 0.000 0.987 338 G CA -0.485 44.480 45.100 -0.224 0.000 0.635 338 G HN 0.436 nan 8.290 nan 0.000 0.520 339 F N 2.045 121.930 119.950 -0.107 0.000 2.421 339 F HA 0.679 5.206 4.527 -0.001 0.000 0.337 339 F C 0.716 176.498 175.800 -0.030 0.000 1.105 339 F CA -0.027 57.871 58.000 -0.170 0.000 1.049 339 F CB 2.310 41.266 39.000 -0.073 0.000 1.139 339 F HN 0.358 nan 8.300 nan 0.000 0.479 340 S N 1.562 117.355 115.700 0.155 0.000 2.533 340 S HA 0.318 4.788 4.470 -0.001 0.000 0.271 340 S C 0.206 174.996 174.600 0.317 0.000 1.143 340 S CA -1.147 57.178 58.200 0.208 0.000 0.891 340 S CB 1.983 65.236 63.200 0.088 0.000 1.105 340 S HN 0.730 nan 8.310 nan 0.000 0.468 341 K N 0.498 121.058 120.400 0.266 0.000 2.074 341 K HA -0.144 4.175 4.320 -0.001 0.000 0.209 341 K C 0.125 176.790 176.600 0.108 0.000 1.048 341 K CA 1.988 58.349 56.287 0.123 0.000 0.926 341 K CB -0.213 32.039 32.500 -0.414 0.000 0.713 341 K HN 0.667 nan 8.250 nan 0.000 0.444 342 D N 0.267 120.696 120.400 0.048 0.000 2.325 342 D HA 0.011 4.650 4.640 -0.001 0.000 0.225 342 D C 0.026 176.356 176.300 0.049 0.000 1.096 342 D CA 0.196 54.208 54.000 0.019 0.000 0.844 342 D CB 0.564 41.344 40.800 -0.034 0.000 0.925 342 D HN 0.203 nan 8.370 nan 0.000 0.513 343 S N -1.255 114.492 115.700 0.079 0.000 2.667 343 S HA 0.347 4.817 4.470 -0.001 0.000 0.292 343 S C 0.662 175.254 174.600 -0.014 0.000 1.126 343 S CA -0.807 57.396 58.200 0.006 0.000 0.881 343 S CB 2.174 65.335 63.200 -0.066 0.000 1.132 343 S HN -0.131 nan 8.310 nan 0.000 0.492 344 E N 0.730 120.885 120.200 -0.076 0.000 2.516 344 E HA 0.071 4.421 4.350 -0.001 0.000 0.199 344 E C -0.352 175.940 176.600 -0.513 0.000 1.069 344 E CA 0.348 56.677 56.400 -0.119 0.000 0.876 344 E CB -0.275 29.402 29.700 -0.037 0.000 0.843 344 E HN 0.678 nan 8.360 nan 0.000 0.530 345 S N 1.188 116.527 115.700 -0.601 0.000 3.559 345 S HA -0.183 4.287 4.470 -0.001 0.000 0.369 345 S C -0.215 173.982 174.600 -0.671 0.000 0.987 345 S CA 0.685 58.399 58.200 -0.810 0.000 1.187 345 S CB -1.161 61.181 63.200 -1.429 0.000 0.914 345 S HN 0.302 nan 8.310 nan 0.000 0.480 346 K N 1.007 121.167 120.400 -0.400 0.000 2.383 346 K HA 0.203 4.523 4.320 -0.001 0.000 0.286 346 K C 0.392 176.807 176.600 -0.309 0.000 1.051 346 K CA -0.092 56.027 56.287 -0.281 0.000 0.974 346 K CB 0.325 32.722 32.500 -0.172 0.000 0.968 346 K HN 0.218 nan 8.250 nan 0.000 0.475 347 I N 2.788 123.186 120.570 -0.286 0.000 2.396 347 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 347 I C 1.090 177.142 176.117 -0.109 0.000 0.999 347 I CA -0.190 60.968 61.300 -0.237 0.000 1.310 347 I CB 1.089 38.965 38.000 -0.207 0.000 1.404 347 I HN 0.646 nan 8.210 nan 0.000 0.496 348 S N 6.795 122.447 115.700 -0.080 0.000 2.645 348 S HA 0.371 4.840 4.470 -0.001 0.000 0.266 348 S C 1.196 175.809 174.600 0.022 0.000 1.258 348 S CA -0.603 57.573 58.200 -0.040 0.000 0.990 348 S CB 1.537 64.717 63.200 -0.033 0.000 0.967 348 S HN 0.504 nan 8.310 nan 0.000 0.556 349 R N 0.647 121.154 120.500 0.012 0.000 2.096 349 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 349 R C 1.892 178.276 176.300 0.140 0.000 1.127 349 R CA 1.642 57.775 56.100 0.056 0.000 0.968 349 R CB -0.929 29.392 30.300 0.035 0.000 0.861 349 R HN 0.753 nan 8.270 nan 0.000 0.440 350 E N 0.440 120.693 120.200 0.089 0.000 2.051 350 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 350 E C 1.613 178.268 176.600 0.092 0.000 0.991 350 E CA 1.242 57.692 56.400 0.083 0.000 0.799 350 E CB -0.267 29.462 29.700 0.047 0.000 0.748 350 E HN 0.215 nan 8.360 nan 0.000 0.449 351 D N -0.620 119.826 120.400 0.077 0.000 2.224 351 D HA -0.088 4.551 4.640 -0.001 0.000 0.205 351 D C 1.568 177.940 176.300 0.120 0.000 0.965 351 D CA 0.348 54.390 54.000 0.070 0.000 0.852 351 D CB -0.200 40.603 40.800 0.004 0.000 0.947 351 D HN 0.091 nan 8.370 nan 0.000 0.494 352 F N 1.185 121.145 119.950 0.017 0.000 2.075 352 F HA -0.153 4.374 4.527 -0.001 0.000 0.297 352 F C 2.251 178.088 175.800 0.062 0.000 1.113 352 F CA 1.395 59.419 58.000 0.041 0.000 1.218 352 F CB -0.203 38.800 39.000 0.005 0.000 0.984 352 F HN -0.153 nan 8.300 nan 0.000 0.472 353 M N -0.800 118.891 119.600 0.152 0.000 2.296 353 M HA -0.167 4.313 4.480 -0.001 0.000 0.265 353 M C 2.147 178.449 176.300 0.004 0.000 1.064 353 M CA 1.382 56.722 55.300 0.067 0.000 1.109 353 M CB -0.532 32.161 32.600 0.156 0.000 1.396 353 M HN 0.054 nan 8.290 nan 0.000 0.430 354 S N 0.625 116.340 115.700 0.026 0.000 2.383 354 S HA -0.038 4.432 4.470 -0.001 0.000 0.227 354 S C 2.036 176.638 174.600 0.003 0.000 1.026 354 S CA 1.283 59.497 58.200 0.024 0.000 0.981 354 S CB -0.575 62.653 63.200 0.046 0.000 0.818 354 S HN 0.680 nan 8.310 nan 0.000 0.472 355 G N 1.403 110.189 108.800 -0.023 0.000 2.404 355 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.215 355 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.215 355 G C 1.452 176.285 174.900 -0.111 0.000 1.174 355 G CA 0.828 45.906 45.100 -0.036 0.000 0.780 355 G HN 0.399 nan 8.290 nan 0.000 0.537 356 V N 0.798 120.579 119.914 -0.221 0.000 2.332 356 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 356 V C 2.705 178.757 176.094 -0.070 0.000 1.055 356 V CA 2.372 64.562 62.300 -0.183 0.000 1.038 356 V CB -0.402 31.300 31.823 -0.201 0.000 0.651 356 V HN 0.417 nan 8.190 nan 0.000 0.450 357 K N -0.392 119.980 120.400 -0.047 0.000 2.097 357 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 357 K C 2.068 178.656 176.600 -0.019 0.000 1.049 357 K CA 1.345 57.618 56.287 -0.025 0.000 0.933 357 K CB -0.148 32.348 32.500 -0.006 0.000 0.717 357 K HN 0.396 nan 8.250 nan 0.000 0.442 358 L N 0.215 121.434 121.223 -0.006 0.000 2.217 358 L HA -0.110 4.230 4.340 -0.001 0.000 0.211 358 L C 2.213 179.092 176.870 0.015 0.000 1.107 358 L CA 0.806 55.656 54.840 0.016 0.000 0.783 358 L CB -0.118 41.961 42.059 0.034 0.000 0.919 358 L HN 0.138 nan 8.230 nan 0.000 0.442 359 S N -0.806 114.891 115.700 -0.006 0.000 2.387 359 S HA -0.014 4.455 4.470 -0.001 0.000 0.226 359 S C 0.975 175.559 174.600 -0.027 0.000 1.026 359 S CA 0.520 58.718 58.200 -0.003 0.000 0.972 359 S CB 0.204 63.385 63.200 -0.032 0.000 0.814 359 S HN 0.139 nan 8.310 nan 0.000 0.477 360 V N 2.855 122.734 119.914 -0.057 0.000 2.233 360 V HA 0.238 4.358 4.120 -0.001 0.000 0.261 360 V C -1.927 174.107 176.094 -0.099 0.000 1.076 360 V CA -1.574 60.660 62.300 -0.109 0.000 1.001 360 V CB 0.341 32.124 31.823 -0.068 0.000 1.206 360 V HN 0.112 nan 8.190 nan 0.000 0.468 361 P HA -0.245 nan 4.420 nan 0.000 0.219 361 P C 0.806 177.815 177.300 -0.486 0.000 1.159 361 P CA 1.717 64.685 63.100 -0.220 0.000 0.944 361 P CB 0.049 31.706 31.700 -0.072 0.000 0.792 362 H N -1.412 117.291 119.070 -0.611 0.000 2.375 362 H HA 0.562 5.118 4.556 -0.001 0.000 0.230 362 H C -0.754 174.408 175.328 -0.276 0.000 1.511 362 H CA -0.816 54.871 56.048 -0.601 0.000 1.215 362 H CB -0.194 29.182 29.762 -0.644 0.000 1.580 362 H HN 0.046 nan 8.280 nan 0.000 0.537 363 A N 2.436 125.107 122.820 -0.248 0.000 2.330 363 A HA 0.272 4.592 4.320 -0.001 0.000 0.327 363 A C 0.032 177.493 177.584 -0.206 0.000 1.155 363 A CA -1.011 50.905 52.037 -0.202 0.000 0.803 363 A CB 0.675 19.605 19.000 -0.117 0.000 1.208 363 A HN 0.768 nan 8.150 nan 0.000 0.477 364 N N 1.577 120.159 118.700 -0.198 0.000 2.317 364 N HA 0.092 4.832 4.740 -0.001 0.000 0.245 364 N C 0.035 175.497 175.510 -0.081 0.000 1.294 364 N CA -0.240 52.720 53.050 -0.150 0.000 0.924 364 N CB 0.246 38.649 38.487 -0.139 0.000 1.186 364 N HN 0.479 nan 8.380 nan 0.000 0.495 365 D N -0.790 119.579 120.400 -0.052 0.000 2.133 365 D HA -0.155 4.484 4.640 -0.001 0.000 0.195 365 D C 1.680 177.981 176.300 0.000 0.000 0.997 365 D CA 0.925 54.915 54.000 -0.017 0.000 0.840 365 D CB -0.277 40.519 40.800 -0.007 0.000 0.947 365 D HN 0.471 nan 8.370 nan 0.000 0.452 366 L N 0.625 121.841 121.223 -0.010 0.000 2.046 366 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 366 L C 2.188 179.074 176.870 0.026 0.000 1.077 366 L CA 2.110 56.956 54.840 0.011 0.000 0.747 366 L CB -0.949 41.105 42.059 -0.009 0.000 0.896 366 L HN 0.075 nan 8.230 nan 0.000 0.432 367 G N -0.527 108.263 108.800 -0.016 0.000 2.421 367 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 367 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 367 G C 1.601 176.529 174.900 0.045 0.000 1.171 367 G CA 1.047 46.138 45.100 -0.015 0.000 0.775 367 G HN 0.437 nan 8.290 nan 0.000 0.543 368 L N 0.455 121.694 121.223 0.028 0.000 2.083 368 L HA -0.071 4.269 4.340 -0.001 0.000 0.209 368 L C 2.448 179.379 176.870 0.102 0.000 1.083 368 L CA 1.131 56.002 54.840 0.053 0.000 0.752 368 L CB -0.355 41.720 42.059 0.028 0.000 0.899 368 L HN 0.095 nan 8.230 nan 0.000 0.433 369 D N 0.140 120.600 120.400 0.101 0.000 2.144 369 D HA -0.115 4.525 4.640 -0.001 0.000 0.200 369 D C 2.261 178.656 176.300 0.158 0.000 0.978 369 D CA 1.391 55.468 54.000 0.128 0.000 0.833 369 D CB -0.017 40.842 40.800 0.097 0.000 0.961 369 D HN 0.288 nan 8.370 nan 0.000 0.470 370 A N 0.586 123.521 122.820 0.191 0.000 1.902 370 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 370 A C 2.507 180.202 177.584 0.186 0.000 1.181 370 A CA 1.304 53.514 52.037 0.288 0.000 0.623 370 A CB -0.745 18.554 19.000 0.498 0.000 0.818 370 A HN 0.143 nan 8.150 nan 0.000 0.443 371 V N -0.241 119.811 119.914 0.230 0.000 2.295 371 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 371 V C 2.753 178.949 176.094 0.171 0.000 1.049 371 V CA 2.496 64.872 62.300 0.128 0.000 1.024 371 V CB -1.416 30.514 31.823 0.179 0.000 0.648 371 V HN 0.608 nan 8.190 nan 0.000 0.447 372 T N 0.713 115.397 114.554 0.216 0.000 2.684 372 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 372 T C 1.921 176.793 174.700 0.286 0.000 1.036 372 T CA 1.975 64.277 62.100 0.337 0.000 1.148 372 T CB -0.424 68.653 68.868 0.348 0.000 0.863 372 T HN 0.305 nan 8.240 nan 0.000 0.436 373 L N 1.236 122.597 121.223 0.230 0.000 2.042 373 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 373 L C 2.532 179.423 176.870 0.035 0.000 1.076 373 L CA 1.869 56.845 54.840 0.227 0.000 0.749 373 L CB -0.842 41.303 42.059 0.144 0.000 0.893 373 L HN 0.129 nan 8.230 nan 0.000 0.432 374 Q N -1.064 118.647 119.800 -0.149 0.000 2.135 374 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 374 Q C 1.170 176.922 176.000 -0.413 0.000 0.981 374 Q CA 1.999 57.535 55.803 -0.444 0.000 0.856 374 Q CB -0.286 27.833 28.738 -1.032 0.000 0.902 374 Q HN 0.709 nan 8.270 nan 0.000 0.425 375 Y N -0.944 119.303 120.300 -0.087 0.000 2.607 375 Y HA 0.342 4.891 4.550 -0.001 0.000 0.266 375 Y C -0.295 175.570 175.900 -0.058 0.000 1.178 375 Y CA -0.273 57.840 58.100 0.021 0.000 1.226 375 Y CB 0.971 39.553 38.460 0.204 0.000 1.144 375 Y HN -0.172 nan 8.280 nan 0.000 0.528 376 T N 0.393 114.886 114.554 -0.101 0.000 2.797 376 T HA 0.112 4.461 4.350 -0.001 0.000 0.279 376 T C -1.013 173.353 174.700 -0.556 0.000 0.991 376 T CA -0.699 61.111 62.100 -0.484 0.000 0.979 376 T CB 1.201 69.583 68.868 -0.810 0.000 0.943 376 T HN -0.015 nan 8.240 nan 0.000 0.444 377 D N 1.941 122.024 120.400 -0.529 0.000 2.441 377 D HA 0.140 4.780 4.640 -0.001 0.000 0.221 377 D C 0.018 176.066 176.300 -0.420 0.000 1.156 377 D CA -0.784 53.012 54.000 -0.339 0.000 0.896 377 D CB 0.308 40.978 40.800 -0.216 0.000 1.028 377 D HN 0.604 nan 8.370 nan 0.000 0.509 378 W N 3.173 124.435 121.300 -0.064 0.000 2.961 378 W HA 0.001 4.660 4.660 -0.001 0.000 0.240 378 W C 1.713 178.204 176.519 -0.047 0.000 1.305 378 W CA -0.327 56.985 57.345 -0.056 0.000 1.465 378 W CB 0.145 29.577 29.460 -0.047 0.000 1.135 378 W HN 0.385 nan 8.180 nan 0.000 0.688 379 M N -1.064 118.585 119.600 0.081 0.000 2.492 379 M HA 0.056 4.535 4.480 -0.001 0.000 0.255 379 M C 0.079 176.383 176.300 0.006 0.000 1.139 379 M CA 1.201 56.532 55.300 0.051 0.000 1.096 379 M CB -0.058 32.556 32.600 0.023 0.000 1.360 379 M HN -0.147 nan 8.290 nan 0.000 0.480 380 D N 0.522 120.890 120.400 -0.052 0.000 3.256 380 D HA 0.021 4.660 4.640 -0.001 0.000 0.332 380 D C 0.456 176.656 176.300 -0.167 0.000 1.327 380 D CA 0.082 54.034 54.000 -0.081 0.000 0.735 380 D CB 0.284 41.039 40.800 -0.074 0.000 1.280 380 D HN 0.174 nan 8.370 nan 0.000 0.572 381 D N -0.697 119.583 120.400 -0.201 0.000 2.350 381 D HA -0.117 4.523 4.640 -0.001 0.000 0.216 381 D C 0.435 176.569 176.300 -0.276 0.000 0.968 381 D CA 0.395 54.170 54.000 -0.375 0.000 0.894 381 D CB -0.057 40.449 40.800 -0.490 0.000 0.909 381 D HN 0.283 nan 8.370 nan 0.000 0.520 382 N N -0.211 118.397 118.700 -0.154 0.000 2.236 382 N HA 0.005 4.745 4.740 -0.001 0.000 0.196 382 N C -0.112 175.328 175.510 -0.116 0.000 1.114 382 N CA -0.284 52.696 53.050 -0.116 0.000 0.859 382 N CB 0.047 38.499 38.487 -0.059 0.000 0.982 382 N HN 0.152 nan 8.380 nan 0.000 0.493 383 N N 0.329 118.949 118.700 -0.133 0.000 2.429 383 N HA -0.017 4.722 4.740 -0.001 0.000 0.271 383 N C 1.417 176.859 175.510 -0.114 0.000 1.272 383 N CA -0.273 52.712 53.050 -0.108 0.000 0.921 383 N CB 0.540 38.964 38.487 -0.105 0.000 1.128 383 N HN 0.204 nan 8.380 nan 0.000 0.481 384 G N 3.583 112.326 108.800 -0.095 0.000 2.432 384 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.219 384 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.219 384 G C 1.297 176.144 174.900 -0.088 0.000 1.135 384 G CA 0.551 45.589 45.100 -0.104 0.000 0.767 384 G HN 0.660 nan 8.290 nan 0.000 0.550 385 I N -0.107 120.428 120.570 -0.058 0.000 2.286 385 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 385 I C 2.753 178.876 176.117 0.010 0.000 1.104 385 I CA 0.912 62.202 61.300 -0.016 0.000 1.397 385 I CB -0.098 37.903 38.000 0.002 0.000 1.072 385 I HN 0.097 nan 8.210 nan 0.000 0.417 386 K N 0.583 120.966 120.400 -0.027 0.000 2.097 386 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 386 K C 1.833 178.412 176.600 -0.035 0.000 1.050 386 K CA 1.148 57.415 56.287 -0.033 0.000 0.938 386 K CB -0.129 32.314 32.500 -0.096 0.000 0.718 386 K HN 0.252 nan 8.250 nan 0.000 0.442 387 N N 0.747 119.392 118.700 -0.091 0.000 2.188 387 N HA -0.140 4.600 4.740 -0.001 0.000 0.184 387 N C 1.671 177.333 175.510 0.253 0.000 1.018 387 N CA 0.807 53.821 53.050 -0.059 0.000 0.858 387 N CB -0.105 38.313 38.487 -0.115 0.000 0.989 387 N HN 0.155 nan 8.380 nan 0.000 0.426 388 R N 1.185 121.764 120.500 0.132 0.000 2.062 388 R HA -0.077 4.263 4.340 -0.001 0.000 0.231 388 R C 0.600 177.093 176.300 0.322 0.000 1.136 388 R CA 1.356 57.573 56.100 0.195 0.000 0.948 388 R CB -0.162 30.154 30.300 0.026 0.000 0.845 388 R HN 0.103 nan 8.270 nan 0.000 0.430 389 D N -0.560 119.987 120.400 0.246 0.000 2.178 389 D HA -0.068 4.572 4.640 -0.001 0.000 0.202 389 D C 1.690 178.157 176.300 0.279 0.000 0.974 389 D CA 1.311 55.464 54.000 0.255 0.000 0.841 389 D CB -0.452 40.464 40.800 0.193 0.000 0.953 389 D HN 0.491 nan 8.370 nan 0.000 0.478 390 G N 0.600 109.586 108.800 0.310 0.000 2.408 390 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 390 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 390 G C 1.736 176.853 174.900 0.363 0.000 1.150 390 G CA 0.129 45.477 45.100 0.413 0.000 0.776 390 G HN 0.248 nan 8.290 nan 0.000 0.542 391 L N 0.262 121.707 121.223 0.370 0.000 2.109 391 L HA -0.043 4.296 4.340 -0.001 0.000 0.207 391 L C 2.615 179.556 176.870 0.118 0.000 1.086 391 L CA 1.295 56.223 54.840 0.147 0.000 0.760 391 L CB -0.282 41.921 42.059 0.239 0.000 0.910 391 L HN 0.278 nan 8.230 nan 0.000 0.437 392 D N 0.115 120.644 120.400 0.213 0.000 2.123 392 D HA -0.240 4.400 4.640 -0.001 0.000 0.196 392 D C 1.398 177.791 176.300 0.154 0.000 0.992 392 D CA 1.506 55.623 54.000 0.195 0.000 0.833 392 D CB 0.147 41.102 40.800 0.258 0.000 0.954 392 D HN 0.304 nan 8.370 nan 0.000 0.455 393 D N 0.449 120.954 120.400 0.174 0.000 2.097 393 D HA -0.089 4.551 4.640 -0.001 0.000 0.197 393 D C 2.372 178.691 176.300 0.031 0.000 0.984 393 D CA 0.416 54.534 54.000 0.197 0.000 0.826 393 D CB -0.307 40.723 40.800 0.383 0.000 0.973 393 D HN 0.386 nan 8.370 nan 0.000 0.460 394 I N 0.678 121.109 120.570 -0.232 0.000 2.118 394 I HA -0.271 3.898 4.170 -0.001 0.000 0.241 394 I C 2.482 178.476 176.117 -0.205 0.000 1.070 394 I CA 0.848 61.933 61.300 -0.358 0.000 1.327 394 I CB -0.294 37.488 38.000 -0.364 0.000 1.034 394 I HN -0.101 nan 8.210 nan 0.000 0.405 395 V N 0.970 120.823 119.914 -0.101 0.000 2.295 395 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 395 V C 2.565 178.592 176.094 -0.112 0.000 1.049 395 V CA 2.252 64.517 62.300 -0.059 0.000 1.024 395 V CB -1.499 30.378 31.823 0.090 0.000 0.648 395 V HN 0.595 nan 8.190 nan 0.000 0.447 396 G N -0.361 108.434 108.800 -0.008 0.000 2.404 396 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.215 396 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.215 396 G C 1.232 176.073 174.900 -0.098 0.000 1.174 396 G CA 1.027 46.134 45.100 0.011 0.000 0.780 396 G HN 0.498 nan 8.290 nan 0.000 0.537 397 D N -0.510 119.829 120.400 -0.101 0.000 2.084 397 D HA -0.112 4.527 4.640 -0.001 0.000 0.194 397 D C 2.037 178.024 176.300 -0.521 0.000 0.990 397 D CA 1.115 55.022 54.000 -0.156 0.000 0.826 397 D CB -0.650 40.201 40.800 0.085 0.000 0.971 397 D HN 0.467 nan 8.370 nan 0.000 0.453 398 H N 0.554 118.971 119.070 -1.088 0.000 2.321 398 H HA -0.045 4.511 4.556 -0.001 0.000 0.300 398 H C 1.425 176.347 175.328 -0.676 0.000 1.087 398 H CA 1.229 56.493 56.048 -1.306 0.000 1.319 398 H CB 0.318 29.101 29.762 -1.631 0.000 1.379 398 H HN 0.042 nan 8.280 nan 0.000 0.501 399 N N -0.095 118.109 118.700 -0.826 0.000 2.376 399 N HA -0.045 4.695 4.740 -0.001 0.000 0.177 399 N C 1.528 176.790 175.510 -0.414 0.000 1.024 399 N CA 0.853 53.386 53.050 -0.863 0.000 0.893 399 N CB 0.872 38.360 38.487 -1.665 0.000 0.980 399 N HN 0.229 nan 8.380 nan 0.000 0.439 400 V N 0.387 120.140 119.914 -0.268 0.000 3.278 400 V HA 0.141 4.261 4.120 -0.001 0.000 0.215 400 V C 2.071 178.139 176.094 -0.043 0.000 1.287 400 V CA -0.093 62.174 62.300 -0.055 0.000 1.302 400 V CB 0.133 31.989 31.823 0.054 0.000 1.228 400 V HN -0.057 nan 8.190 nan 0.000 0.523 401 I N 0.716 121.273 120.570 -0.021 0.000 2.099 401 I HA -0.314 3.855 4.170 -0.001 0.000 0.239 401 I C 2.562 178.688 176.117 0.015 0.000 1.066 401 I CA 2.056 63.371 61.300 0.025 0.000 1.324 401 I CB -0.534 37.519 38.000 0.088 0.000 1.037 401 I HN 0.392 nan 8.210 nan 0.000 0.401 402 c N 0.580 119.179 118.600 -0.003 0.000 2.440 402 c HA -0.037 4.533 4.570 -0.001 0.000 0.278 402 c C 0.272 174.391 174.090 0.048 0.000 1.295 402 c CA 0.645 57.010 56.329 0.060 0.000 1.738 402 c CB -1.808 40.781 42.510 0.132 0.000 1.987 402 c HN 0.367 nan 8.230 nan 0.000 0.492 403 P HA -0.074 nan 4.420 nan 0.000 0.217 403 P C 1.767 179.096 177.300 0.048 0.000 1.151 403 P CA 0.987 64.066 63.100 -0.034 0.000 0.828 403 P CB -0.156 31.437 31.700 -0.179 0.000 0.788 404 L N -1.701 119.528 121.223 0.010 0.000 2.083 404 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 404 L C 2.064 178.977 176.870 0.071 0.000 1.083 404 L CA 1.655 56.515 54.840 0.033 0.000 0.752 404 L CB -0.497 41.554 42.059 -0.013 0.000 0.899 404 L HN -0.087 nan 8.230 nan 0.000 0.433 405 M N -1.243 118.391 119.600 0.056 0.000 2.229 405 M HA -0.200 4.279 4.480 -0.001 0.000 0.264 405 M C 2.240 178.604 176.300 0.106 0.000 1.063 405 M CA 1.563 56.893 55.300 0.049 0.000 1.114 405 M CB -1.514 31.131 32.600 0.075 0.000 1.387 405 M HN 0.408 nan 8.290 nan 0.000 0.420 406 H N -0.179 118.929 119.070 0.064 0.000 2.326 406 H HA -0.164 4.392 4.556 -0.001 0.000 0.301 406 H C 1.833 177.207 175.328 0.077 0.000 1.081 406 H CA 1.973 58.066 56.048 0.075 0.000 1.334 406 H CB -0.353 29.451 29.762 0.070 0.000 1.385 406 H HN 0.239 nan 8.280 nan 0.000 0.504 407 F N -0.061 119.855 119.950 -0.058 0.000 2.134 407 F HA -0.149 4.378 4.527 -0.001 0.000 0.299 407 F C 2.456 178.177 175.800 -0.131 0.000 1.097 407 F CA 1.388 59.309 58.000 -0.132 0.000 1.264 407 F CB -0.830 38.100 39.000 -0.117 0.000 1.001 407 F HN 0.131 nan 8.300 nan 0.000 0.479 408 V N 1.071 120.889 119.914 -0.161 0.000 2.343 408 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 408 V C 2.174 178.113 176.094 -0.257 0.000 1.051 408 V CA 2.501 64.598 62.300 -0.338 0.000 1.036 408 V CB -0.600 30.933 31.823 -0.483 0.000 0.654 408 V HN 0.434 nan 8.190 nan 0.000 0.451 409 N N -0.314 118.318 118.700 -0.113 0.000 2.216 409 N HA -0.096 4.644 4.740 -0.001 0.000 0.183 409 N C 1.807 177.297 175.510 -0.033 0.000 1.017 409 N CA 0.965 54.047 53.050 0.054 0.000 0.861 409 N CB -0.152 38.400 38.487 0.108 0.000 0.986 409 N HN 0.401 nan 8.380 nan 0.000 0.428 410 K N 0.595 120.887 120.400 -0.180 0.000 2.031 410 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 410 K C 1.940 178.517 176.600 -0.038 0.000 1.049 410 K CA 0.665 56.876 56.287 -0.126 0.000 0.939 410 K CB -0.822 31.530 32.500 -0.246 0.000 0.717 410 K HN 0.258 nan 8.250 nan 0.000 0.438 411 Y N 2.325 122.358 120.300 -0.446 0.000 2.114 411 Y HA -0.232 4.318 4.550 -0.001 0.000 0.284 411 Y C 2.216 178.101 175.900 -0.026 0.000 1.143 411 Y CA 2.084 59.904 58.100 -0.466 0.000 1.135 411 Y CB -0.508 37.353 38.460 -0.999 0.000 0.980 411 Y HN 0.040 nan 8.280 nan 0.000 0.499 412 T N 0.646 115.241 114.554 0.067 0.000 2.869 412 T HA -0.218 4.132 4.350 -0.001 0.000 0.270 412 T C 1.662 176.368 174.700 0.010 0.000 1.082 412 T CA 1.763 63.936 62.100 0.122 0.000 1.123 412 T CB -0.227 68.817 68.868 0.294 0.000 0.856 412 T HN 0.358 nan 8.240 nan 0.000 0.499 413 K N -0.173 120.204 120.400 -0.038 0.000 2.148 413 K HA 0.022 4.341 4.320 -0.001 0.000 0.204 413 K C 1.271 177.595 176.600 -0.460 0.000 1.050 413 K CA 1.135 57.271 56.287 -0.252 0.000 0.942 413 K CB -0.045 32.255 32.500 -0.333 0.000 0.724 413 K HN 0.408 nan 8.250 nan 0.000 0.446 414 F N -0.283 119.608 119.950 -0.097 0.000 2.752 414 F HA 0.221 4.748 4.527 -0.001 0.000 0.310 414 F C 1.462 177.137 175.800 -0.209 0.000 1.097 414 F CA -0.635 57.265 58.000 -0.167 0.000 1.238 414 F CB 0.118 38.942 39.000 -0.293 0.000 1.061 414 F HN -0.100 nan 8.300 nan 0.000 0.591 415 G N 0.118 108.824 108.800 -0.156 0.000 2.684 415 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.255 415 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.255 415 G C 0.317 175.252 174.900 0.058 0.000 1.219 415 G CA -0.336 44.683 45.100 -0.135 0.000 0.901 415 G HN 0.315 nan 8.290 nan 0.000 0.548 416 N N -0.341 118.451 118.700 0.153 0.000 2.275 416 N HA 0.307 5.046 4.740 -0.001 0.000 0.236 416 N C 0.272 175.861 175.510 0.131 0.000 1.154 416 N CA 0.413 53.531 53.050 0.113 0.000 0.866 416 N CB 0.229 38.777 38.487 0.102 0.000 1.093 416 N HN 0.903 nan 8.380 nan 0.000 0.515 417 G N 0.621 109.511 108.800 0.150 0.000 2.380 417 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.250 417 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.250 417 G C -1.223 173.724 174.900 0.078 0.000 1.578 417 G CA -0.803 44.347 45.100 0.082 0.000 0.974 417 G HN 0.035 nan 8.290 nan 0.000 0.680 418 T N 1.568 116.050 114.554 -0.120 0.000 2.861 418 T HA 0.689 5.039 4.350 -0.001 0.000 0.287 418 T C -1.203 173.237 174.700 -0.433 0.000 1.003 418 T CA -0.371 61.664 62.100 -0.109 0.000 0.977 418 T CB 1.448 70.349 68.868 0.054 0.000 0.996 418 T HN 0.438 nan 8.240 nan 0.000 0.448 419 Y N 1.932 122.166 120.300 -0.110 0.000 2.326 419 Y HA 0.622 5.172 4.550 -0.001 0.000 0.329 419 Y C -0.551 175.438 175.900 0.148 0.000 0.973 419 Y CA -1.071 56.910 58.100 -0.199 0.000 1.162 419 Y CB 1.470 39.346 38.460 -0.973 0.000 1.147 419 Y HN 0.426 nan 8.280 nan 0.000 0.456 420 L N 6.062 127.675 121.223 0.650 0.000 2.322 420 L HA 0.602 4.941 4.340 -0.001 0.000 0.281 420 L C -1.153 176.168 176.870 0.753 0.000 1.014 420 L CA -0.955 54.202 54.840 0.529 0.000 0.815 420 L CB 0.621 42.843 42.059 0.272 0.000 1.247 420 L HN 0.534 nan 8.230 nan 0.000 0.421 421 Y N 3.162 123.769 120.300 0.512 0.000 2.602 421 Y HA 0.729 5.278 4.550 -0.001 0.000 0.342 421 Y C -1.662 174.504 175.900 0.443 0.000 1.029 421 Y CA -1.951 56.365 58.100 0.360 0.000 1.080 421 Y CB 1.345 39.926 38.460 0.202 0.000 1.284 421 Y HN 0.505 nan 8.280 nan 0.000 0.485 422 F N 3.938 124.179 119.950 0.485 0.000 2.646 422 F HA 0.415 4.942 4.527 -0.001 0.000 0.364 422 F C -1.782 174.293 175.800 0.459 0.000 1.137 422 F CA -1.700 56.518 58.000 0.363 0.000 1.085 422 F CB 0.504 39.707 39.000 0.338 0.000 1.331 422 F HN 0.570 nan 8.300 nan 0.000 0.472 423 F N 7.397 127.430 119.950 0.140 0.000 2.466 423 F HA 0.232 4.759 4.527 -0.001 0.000 0.363 423 F C 0.518 176.188 175.800 -0.217 0.000 1.109 423 F CA 0.004 58.032 58.000 0.047 0.000 1.161 423 F CB 0.436 39.536 39.000 0.166 0.000 1.117 423 F HN 0.535 nan 8.300 nan 0.000 0.539 424 N N 3.286 121.673 118.700 -0.522 0.000 2.365 424 N HA 0.067 4.806 4.740 -0.001 0.000 0.257 424 N C -1.051 174.233 175.510 -0.376 0.000 1.287 424 N CA -0.475 52.353 53.050 -0.371 0.000 0.882 424 N CB -0.607 37.825 38.487 -0.091 0.000 1.250 424 N HN 0.641 nan 8.380 nan 0.000 0.507 425 H N 0.450 118.989 119.070 -0.885 0.000 2.504 425 H HA 0.419 4.974 4.556 -0.001 0.000 0.322 425 H C -0.424 174.725 175.328 -0.300 0.000 1.055 425 H CA -0.700 54.999 56.048 -0.581 0.000 1.231 425 H CB 0.966 30.318 29.762 -0.684 0.000 1.417 425 H HN 0.086 nan 8.280 nan 0.000 0.472 426 R N 4.189 124.309 120.500 -0.633 0.000 2.265 426 R HA 0.482 4.821 4.340 -0.001 0.000 0.314 426 R C -0.526 175.576 176.300 -0.329 0.000 1.053 426 R CA -0.509 55.415 56.100 -0.293 0.000 0.931 426 R CB 0.401 30.594 30.300 -0.178 0.000 1.024 426 R HN 0.804 nan 8.270 nan 0.000 0.457 427 A N 3.148 126.072 122.820 0.172 0.000 2.540 427 A HA 0.007 4.326 4.320 -0.001 0.000 0.239 427 A C 1.328 179.009 177.584 0.162 0.000 1.061 427 A CA 0.493 52.789 52.037 0.432 0.000 0.758 427 A CB 0.304 19.665 19.000 0.601 0.000 0.991 427 A HN 1.030 nan 8.150 nan 0.000 0.502 428 S N 1.815 117.630 115.700 0.192 0.000 2.419 428 S HA -0.175 4.295 4.470 -0.001 0.000 0.233 428 S C 0.995 175.583 174.600 -0.021 0.000 1.016 428 S CA 1.182 59.424 58.200 0.069 0.000 0.974 428 S CB -0.439 62.825 63.200 0.107 0.000 0.786 428 S HN 0.926 nan 8.310 nan 0.000 0.492 429 N N 1.037 119.683 118.700 -0.089 0.000 2.276 429 N HA 0.191 4.930 4.740 -0.001 0.000 0.212 429 N C -0.112 175.318 175.510 -0.134 0.000 1.127 429 N CA -0.289 52.656 53.050 -0.176 0.000 0.834 429 N CB -0.640 37.625 38.487 -0.370 0.000 1.014 429 N HN 0.431 nan 8.380 nan 0.000 0.491 430 L N 1.644 122.827 121.223 -0.067 0.000 2.477 430 L HA 0.009 4.349 4.340 -0.001 0.000 0.272 430 L C 1.478 178.285 176.870 -0.105 0.000 1.157 430 L CA -0.365 54.425 54.840 -0.083 0.000 0.889 430 L CB 0.944 42.950 42.059 -0.087 0.000 1.158 430 L HN 0.102 nan 8.230 nan 0.000 0.473 431 V N 1.010 120.826 119.914 -0.164 0.000 3.129 431 V HA -0.032 4.087 4.120 -0.001 0.000 0.259 431 V C 0.707 176.757 176.094 -0.073 0.000 1.116 431 V CA -0.212 61.981 62.300 -0.179 0.000 1.127 431 V CB -0.931 30.666 31.823 -0.376 0.000 0.742 431 V HN 0.612 nan 8.190 nan 0.000 0.474 432 W N 1.876 123.135 121.300 -0.067 0.000 2.126 432 W HA 0.451 5.111 4.660 -0.001 0.000 0.346 432 W C -1.634 174.752 176.519 -0.223 0.000 1.279 432 W CA -1.952 55.329 57.345 -0.108 0.000 1.259 432 W CB -0.273 28.998 29.460 -0.315 0.000 1.133 432 W HN 0.022 nan 8.180 nan 0.000 0.592 433 P HA -0.104 nan 4.420 nan 0.000 0.269 433 P C 0.392 177.565 177.300 -0.211 0.000 1.217 433 P CA 0.404 63.435 63.100 -0.116 0.000 0.783 433 P CB 0.878 32.527 31.700 -0.085 0.000 0.898 434 E N 1.315 121.477 120.200 -0.063 0.000 2.110 434 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 434 E C 1.916 178.507 176.600 -0.014 0.000 0.988 434 E CA 1.392 57.774 56.400 -0.029 0.000 0.804 434 E CB -0.448 29.280 29.700 0.047 0.000 0.745 434 E HN 0.715 nan 8.360 nan 0.000 0.458 435 W N 0.244 121.564 121.300 0.033 0.000 2.387 435 W HA -0.093 4.566 4.660 -0.001 0.000 0.272 435 W C 1.530 178.081 176.519 0.054 0.000 1.224 435 W CA 0.461 57.837 57.345 0.052 0.000 1.210 435 W CB -0.880 28.621 29.460 0.068 0.000 1.125 435 W HN -0.016 nan 8.180 nan 0.000 0.572 436 M N 1.257 120.421 119.600 -0.726 0.000 2.394 436 M HA 0.096 4.575 4.480 -0.001 0.000 0.264 436 M C 1.751 177.890 176.300 -0.267 0.000 1.073 436 M CA 1.807 56.670 55.300 -0.729 0.000 1.111 436 M CB -0.743 31.233 32.600 -1.040 0.000 1.401 436 M HN 0.180 nan 8.290 nan 0.000 0.448 437 G N 0.279 108.983 108.800 -0.159 0.000 2.547 437 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.271 437 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.271 437 G C -0.183 174.687 174.900 -0.051 0.000 1.209 437 G CA -0.285 44.781 45.100 -0.056 0.000 0.959 437 G HN 0.186 nan 8.290 nan 0.000 0.563 438 V N 2.045 121.966 119.914 0.012 0.000 2.149 438 V HA 0.302 4.422 4.120 -0.001 0.000 0.245 438 V C 1.236 177.417 176.094 0.145 0.000 1.349 438 V CA 0.146 62.496 62.300 0.084 0.000 1.289 438 V CB -0.762 31.103 31.823 0.069 0.000 1.401 438 V HN 0.507 nan 8.190 nan 0.000 0.501 439 I N 3.181 123.812 120.570 0.102 0.000 2.815 439 I HA 0.013 4.183 4.170 -0.001 0.000 0.291 439 I C 1.121 177.450 176.117 0.354 0.000 1.209 439 I CA -0.100 61.288 61.300 0.147 0.000 1.431 439 I CB 0.108 38.087 38.000 -0.035 0.000 1.351 439 I HN 0.703 nan 8.210 nan 0.000 0.585 440 H N 5.163 124.385 119.070 0.252 0.000 3.001 440 H HA 0.289 4.845 4.556 -0.001 0.000 0.334 440 H C 1.000 176.419 175.328 0.152 0.000 1.034 440 H CA 0.349 56.517 56.048 0.200 0.000 1.420 440 H CB 0.613 30.471 29.762 0.159 0.000 1.405 440 H HN 0.820 nan 8.280 nan 0.000 0.593 441 G N 2.721 111.300 108.800 -0.368 0.000 2.217 441 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.246 441 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.246 441 G C 0.471 175.257 174.900 -0.191 0.000 0.990 441 G CA 0.374 45.186 45.100 -0.480 0.000 0.627 441 G HN 0.659 nan 8.290 nan 0.000 0.522 442 Y N 1.689 122.081 120.300 0.155 0.000 2.496 442 Y HA 0.281 4.831 4.550 -0.001 0.000 0.313 442 Y C 2.200 178.258 175.900 0.263 0.000 1.184 442 Y CA 0.967 59.245 58.100 0.296 0.000 1.275 442 Y CB 0.401 39.071 38.460 0.351 0.000 1.103 442 Y HN 0.532 nan 8.280 nan 0.000 0.513 443 E N -0.551 119.640 120.200 -0.015 0.000 2.447 443 E HA -0.000 4.349 4.350 -0.001 0.000 0.204 443 E C 1.555 178.114 176.600 -0.069 0.000 0.977 443 E CA 0.424 56.520 56.400 -0.507 0.000 0.950 443 E CB -0.426 28.569 29.700 -1.176 0.000 0.975 443 E HN 0.518 nan 8.360 nan 0.000 0.496 444 I N 2.937 123.544 120.570 0.061 0.000 2.163 444 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 444 I C 2.634 178.825 176.117 0.123 0.000 1.085 444 I CA 2.147 63.533 61.300 0.143 0.000 1.347 444 I CB -0.459 37.668 38.000 0.210 0.000 1.044 444 I HN 0.210 nan 8.210 nan 0.000 0.408 445 E N 0.987 121.209 120.200 0.038 0.000 2.209 445 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 445 E C 2.006 178.431 176.600 -0.292 0.000 0.993 445 E CA 1.471 57.792 56.400 -0.131 0.000 0.819 445 E CB -0.505 29.099 29.700 -0.160 0.000 0.745 445 E HN 0.449 nan 8.360 nan 0.000 0.477 446 F N 1.164 121.030 119.950 -0.139 0.000 2.234 446 F HA -0.033 4.494 4.527 -0.001 0.000 0.296 446 F C 2.409 178.042 175.800 -0.277 0.000 1.089 446 F CA 0.547 58.424 58.000 -0.206 0.000 1.343 446 F CB -0.264 38.656 39.000 -0.134 0.000 1.040 446 F HN -0.144 nan 8.300 nan 0.000 0.498 447 V N -0.971 118.860 119.914 -0.138 0.000 2.515 447 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 447 V C 1.555 177.434 176.094 -0.358 0.000 1.058 447 V CA 1.571 63.637 62.300 -0.390 0.000 1.064 447 V CB -0.648 30.963 31.823 -0.354 0.000 0.675 447 V HN 0.211 nan 8.190 nan 0.000 0.461 448 F N 0.437 120.257 119.950 -0.217 0.000 2.732 448 F HA 0.420 4.946 4.527 -0.001 0.000 0.303 448 F C 1.785 177.501 175.800 -0.141 0.000 1.110 448 F CA 0.470 58.370 58.000 -0.165 0.000 1.355 448 F CB -0.362 38.523 39.000 -0.193 0.000 1.081 448 F HN 0.242 nan 8.300 nan 0.000 0.565 449 G N 0.542 109.264 108.800 -0.130 0.000 2.225 449 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.267 449 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.267 449 G C 1.143 175.746 174.900 -0.495 0.000 1.024 449 G CA 0.367 45.325 45.100 -0.237 0.000 0.784 449 G HN 0.286 nan 8.290 nan 0.000 0.507 450 L N -0.408 120.489 121.223 -0.543 0.000 2.131 450 L HA -0.036 4.303 4.340 -0.001 0.000 0.210 450 L C 0.260 176.700 176.870 -0.717 0.000 1.092 450 L CA 2.365 56.815 54.840 -0.651 0.000 0.759 450 L CB -1.838 39.980 42.059 -0.402 0.000 0.903 450 L HN 0.188 nan 8.230 nan 0.000 0.435 451 P HA -0.109 nan 4.420 nan 0.000 0.228 451 P C 1.921 178.988 177.300 -0.389 0.000 1.151 451 P CA 0.878 63.389 63.100 -0.982 0.000 0.770 451 P CB 0.082 31.176 31.700 -1.011 0.000 0.786 452 L N -2.158 118.847 121.223 -0.363 0.000 2.313 452 L HA 0.004 4.344 4.340 -0.001 0.000 0.214 452 L C 0.610 177.378 176.870 -0.171 0.000 1.119 452 L CA 0.492 55.207 54.840 -0.209 0.000 0.809 452 L CB -0.615 41.347 42.059 -0.161 0.000 0.933 452 L HN -0.215 nan 8.230 nan 0.000 0.449 453 V N 1.669 121.431 119.914 -0.254 0.000 2.387 453 V HA 0.108 4.228 4.120 -0.001 0.000 0.260 453 V C 1.595 177.655 176.094 -0.058 0.000 1.054 453 V CA 0.440 62.646 62.300 -0.158 0.000 0.967 453 V CB 0.434 32.119 31.823 -0.229 0.000 1.036 453 V HN 0.360 nan 8.190 nan 0.000 0.481 454 K N 4.009 124.390 120.400 -0.032 0.000 2.074 454 K HA -0.237 4.083 4.320 -0.001 0.000 0.209 454 K C 1.690 178.284 176.600 -0.011 0.000 1.048 454 K CA 2.101 58.384 56.287 -0.008 0.000 0.926 454 K CB -0.605 31.889 32.500 -0.011 0.000 0.713 454 K HN 0.752 nan 8.250 nan 0.000 0.444 455 E N 0.479 120.665 120.200 -0.023 0.000 2.267 455 E HA -0.038 4.312 4.350 -0.001 0.000 0.197 455 E C 1.686 178.255 176.600 -0.051 0.000 0.998 455 E CA 0.859 57.238 56.400 -0.035 0.000 0.830 455 E CB -0.241 29.439 29.700 -0.034 0.000 0.751 455 E HN 0.612 nan 8.360 nan 0.000 0.491 456 L N 0.427 121.631 121.223 -0.033 0.000 2.599 456 L HA 0.040 4.380 4.340 -0.001 0.000 0.230 456 L C -0.139 176.606 176.870 -0.209 0.000 1.141 456 L CA -0.081 54.719 54.840 -0.067 0.000 0.877 456 L CB -0.461 41.655 42.059 0.095 0.000 1.009 456 L HN 0.134 nan 8.230 nan 0.000 0.447 457 N N -0.619 118.011 118.700 -0.116 0.000 2.738 457 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 457 N C -0.753 174.637 175.510 -0.199 0.000 1.047 457 N CA 0.893 53.858 53.050 -0.142 0.000 0.707 457 N CB -1.696 36.691 38.487 -0.168 0.000 0.937 457 N HN 0.321 nan 8.380 nan 0.000 0.545 458 Y N -0.079 120.189 120.300 -0.054 0.000 2.488 458 Y HA 0.400 4.950 4.550 -0.001 0.000 0.325 458 Y C 1.716 177.616 175.900 0.001 0.000 1.204 458 Y CA -0.383 57.702 58.100 -0.025 0.000 1.229 458 Y CB 0.789 39.204 38.460 -0.075 0.000 1.274 458 Y HN 0.113 nan 8.280 nan 0.000 0.493 459 T N -1.824 112.862 114.554 0.220 0.000 2.828 459 T HA 0.393 4.742 4.350 -0.001 0.000 0.290 459 T C 1.187 175.950 174.700 0.105 0.000 1.019 459 T CA -0.223 61.958 62.100 0.134 0.000 1.031 459 T CB 1.220 70.169 68.868 0.135 0.000 1.001 459 T HN 0.781 nan 8.240 nan 0.000 0.531 460 A N 0.737 123.595 122.820 0.063 0.000 1.933 460 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 460 A C 2.162 179.764 177.584 0.030 0.000 1.175 460 A CA 1.629 53.687 52.037 0.036 0.000 0.628 460 A CB -1.021 17.994 19.000 0.024 0.000 0.814 460 A HN 0.904 nan 8.150 nan 0.000 0.444 461 E N 0.314 120.537 120.200 0.038 0.000 2.110 461 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 461 E C 1.862 178.467 176.600 0.009 0.000 0.988 461 E CA 1.495 57.903 56.400 0.013 0.000 0.804 461 E CB -0.290 29.417 29.700 0.012 0.000 0.745 461 E HN 0.771 nan 8.360 nan 0.000 0.458 462 E N 0.367 120.615 120.200 0.079 0.000 2.150 462 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 462 E C 1.992 178.635 176.600 0.071 0.000 0.985 462 E CA 0.805 57.313 56.400 0.179 0.000 0.814 462 E CB 0.008 29.933 29.700 0.376 0.000 0.752 462 E HN 0.332 nan 8.360 nan 0.000 0.466 463 E N 0.731 120.928 120.200 -0.005 0.000 2.072 463 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 463 E C 2.029 178.601 176.600 -0.047 0.000 0.985 463 E CA 0.870 57.225 56.400 -0.075 0.000 0.801 463 E CB -0.004 29.663 29.700 -0.056 0.000 0.750 463 E HN 0.201 nan 8.360 nan 0.000 0.452 464 A N 1.154 123.959 122.820 -0.024 0.000 1.898 464 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 464 A C 2.117 179.682 177.584 -0.032 0.000 1.181 464 A CA 1.158 53.176 52.037 -0.032 0.000 0.620 464 A CB -0.575 18.408 19.000 -0.027 0.000 0.819 464 A HN 0.376 nan 8.150 nan 0.000 0.442 465 L N -0.256 120.962 121.223 -0.009 0.000 2.056 465 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 465 L C 2.557 179.464 176.870 0.061 0.000 1.078 465 L CA 2.523 57.363 54.840 -0.001 0.000 0.749 465 L CB -0.782 41.241 42.059 -0.061 0.000 0.901 465 L HN 0.341 nan 8.230 nan 0.000 0.433 466 S N -0.568 115.206 115.700 0.123 0.000 2.356 466 S HA -0.212 4.258 4.470 -0.001 0.000 0.223 466 S C 2.198 176.767 174.600 -0.053 0.000 1.032 466 S CA 1.402 59.635 58.200 0.054 0.000 1.005 466 S CB -0.235 62.890 63.200 -0.125 0.000 0.867 466 S HN 0.548 nan 8.310 nan 0.000 0.449 467 R N 0.274 120.735 120.500 -0.065 0.000 2.096 467 R HA -0.006 4.334 4.340 -0.001 0.000 0.235 467 R C 2.733 178.984 176.300 -0.082 0.000 1.127 467 R CA 1.442 57.498 56.100 -0.074 0.000 0.968 467 R CB -0.308 29.946 30.300 -0.077 0.000 0.861 467 R HN 0.405 nan 8.270 nan 0.000 0.440 468 R N 0.868 121.299 120.500 -0.115 0.000 2.092 468 R HA -0.038 4.301 4.340 -0.001 0.000 0.231 468 R C 2.100 178.215 176.300 -0.307 0.000 1.119 468 R CA 1.120 57.073 56.100 -0.246 0.000 0.970 468 R CB -0.043 30.125 30.300 -0.219 0.000 0.864 468 R HN 0.180 nan 8.270 nan 0.000 0.440 469 I N 0.232 120.741 120.570 -0.103 0.000 2.286 469 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 469 I C 2.338 178.414 176.117 -0.069 0.000 1.104 469 I CA 1.090 62.362 61.300 -0.046 0.000 1.397 469 I CB -0.111 37.723 38.000 -0.277 0.000 1.072 469 I HN 0.267 nan 8.210 nan 0.000 0.417 470 M N -0.447 119.088 119.600 -0.108 0.000 2.159 470 M HA -0.262 4.218 4.480 -0.001 0.000 0.263 470 M C 2.391 178.773 176.300 0.136 0.000 1.063 470 M CA 1.753 57.023 55.300 -0.049 0.000 1.110 470 M CB -0.716 31.844 32.600 -0.066 0.000 1.374 470 M HN 0.267 nan 8.290 nan 0.000 0.411 471 H N -0.513 118.560 119.070 0.004 0.000 2.462 471 H HA -0.112 4.444 4.556 -0.001 0.000 0.292 471 H C 1.512 176.957 175.328 0.196 0.000 1.049 471 H CA 1.608 57.678 56.048 0.036 0.000 1.334 471 H CB 0.041 29.767 29.762 -0.060 0.000 1.404 471 H HN 0.266 nan 8.280 nan 0.000 0.544 472 Y N -0.924 119.532 120.300 0.259 0.000 2.163 472 Y HA -0.220 4.330 4.550 -0.001 0.000 0.288 472 Y C 2.474 178.585 175.900 0.351 0.000 1.136 472 Y CA 0.975 59.276 58.100 0.336 0.000 1.147 472 Y CB -0.954 37.916 38.460 0.684 0.000 0.987 472 Y HN 0.346 nan 8.280 nan 0.000 0.509 473 W N -0.601 120.814 121.300 0.191 0.000 2.355 473 W HA -0.203 4.456 4.660 -0.001 0.000 0.309 473 W C 2.551 179.084 176.519 0.024 0.000 1.206 473 W CA 1.176 58.566 57.345 0.075 0.000 1.284 473 W CB -0.461 28.991 29.460 -0.014 0.000 1.145 473 W HN 0.047 nan 8.180 nan 0.000 0.502 474 A N -0.038 122.914 122.820 0.220 0.000 1.897 474 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 474 A C 1.817 179.403 177.584 0.003 0.000 1.181 474 A CA 2.126 54.205 52.037 0.070 0.000 0.620 474 A CB -1.184 17.860 19.000 0.073 0.000 0.821 474 A HN 0.184 nan 8.150 nan 0.000 0.443 475 T N -0.653 113.863 114.554 -0.063 0.000 2.788 475 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 475 T C 1.598 176.251 174.700 -0.079 0.000 1.044 475 T CA 1.557 63.574 62.100 -0.139 0.000 1.139 475 T CB -0.379 68.307 68.868 -0.303 0.000 0.867 475 T HN 0.521 nan 8.240 nan 0.000 0.454 476 F N 2.284 122.129 119.950 -0.175 0.000 2.146 476 F HA 0.095 4.622 4.527 -0.001 0.000 0.298 476 F C 2.416 178.124 175.800 -0.153 0.000 1.096 476 F CA 0.921 58.780 58.000 -0.234 0.000 1.275 476 F CB -0.614 38.172 39.000 -0.356 0.000 1.008 476 F HN 0.127 nan 8.300 nan 0.000 0.480 477 A N 1.243 123.953 122.820 -0.183 0.000 1.972 477 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 477 A C 2.240 179.681 177.584 -0.238 0.000 1.169 477 A CA 2.010 53.903 52.037 -0.241 0.000 0.635 477 A CB -0.845 18.105 19.000 -0.083 0.000 0.810 477 A HN 0.653 nan 8.150 nan 0.000 0.446 478 K N -1.201 119.094 120.400 -0.174 0.000 2.211 478 K HA -0.026 4.294 4.320 -0.001 0.000 0.201 478 K C 1.501 178.013 176.600 -0.147 0.000 1.052 478 K CA 1.685 57.899 56.287 -0.121 0.000 0.973 478 K CB -0.301 32.158 32.500 -0.068 0.000 0.766 478 K HN 0.432 nan 8.250 nan 0.000 0.466 479 T N -4.744 109.692 114.554 -0.197 0.000 2.958 479 T HA 0.307 4.657 4.350 -0.001 0.000 0.256 479 T C 1.304 175.873 174.700 -0.218 0.000 0.983 479 T CA 0.319 62.322 62.100 -0.163 0.000 0.924 479 T CB 0.767 69.574 68.868 -0.103 0.000 1.136 479 T HN 0.414 nan 8.240 nan 0.000 0.506 480 G N 1.407 109.946 108.800 -0.436 0.000 2.132 480 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.234 480 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.234 480 G C -0.177 174.659 174.900 -0.107 0.000 0.989 480 G CA 0.032 44.837 45.100 -0.492 0.000 0.676 480 G HN 0.917 nan 8.290 nan 0.000 0.522 481 N N -0.320 118.298 118.700 -0.135 0.000 2.478 481 N HA 0.502 5.242 4.740 -0.001 0.000 0.291 481 N C -1.615 173.747 175.510 -0.246 0.000 1.090 481 N CA -1.362 51.564 53.050 -0.206 0.000 0.911 481 N CB 2.060 40.511 38.487 -0.060 0.000 1.546 481 N HN -0.110 nan 8.380 nan 0.000 0.500 482 P HA -0.064 nan 4.420 nan 0.000 0.226 482 P C -0.675 176.645 177.300 0.033 0.000 1.153 482 P CA 0.698 63.667 63.100 -0.219 0.000 0.777 482 P CB 0.188 31.535 31.700 -0.587 0.000 0.794 483 N N 1.451 120.136 118.700 -0.025 0.000 2.530 483 N HA 0.093 4.833 4.740 -0.001 0.000 0.277 483 N C 0.354 175.903 175.510 0.064 0.000 1.168 483 N CA -0.092 53.026 53.050 0.114 0.000 0.979 483 N CB 0.881 39.446 38.487 0.130 0.000 1.141 483 N HN 0.062 nan 8.380 nan 0.000 0.459 484 E N 1.717 121.979 120.200 0.104 0.000 2.316 484 E HA 0.187 4.536 4.350 -0.001 0.000 0.275 484 E C -2.060 174.587 176.600 0.078 0.000 1.029 484 E CA -1.442 55.013 56.400 0.090 0.000 0.871 484 E CB 0.297 30.083 29.700 0.143 0.000 1.022 484 E HN 0.228 nan 8.360 nan 0.000 0.418 485 P HA 0.001 nan 4.420 nan 0.000 0.261 485 P C -0.369 176.965 177.300 0.057 0.000 1.203 485 P CA 1.203 64.334 63.100 0.052 0.000 0.767 485 P CB -0.423 31.300 31.700 0.038 0.000 0.785 486 H N -0.327 118.779 119.070 0.060 0.000 2.861 486 H HA -0.015 4.540 4.556 -0.001 0.000 0.319 486 H C 0.021 175.386 175.328 0.062 0.000 0.994 486 H CA 0.345 56.428 56.048 0.057 0.000 1.032 486 H CB -1.998 27.791 29.762 0.045 0.000 1.615 486 H HN 0.533 nan 8.280 nan 0.000 0.357 487 S N 0.891 116.635 115.700 0.074 0.000 2.634 487 S HA 0.524 4.994 4.470 -0.001 0.000 0.296 487 S C 1.129 175.773 174.600 0.073 0.000 1.104 487 S CA 0.379 58.625 58.200 0.077 0.000 0.920 487 S CB 2.072 65.331 63.200 0.099 0.000 1.111 487 S HN 0.944 nan 8.310 nan 0.000 0.493 488 Q N 0.777 120.616 119.800 0.064 0.000 2.403 488 Q HA 0.213 4.552 4.340 -0.001 0.000 0.203 488 Q C 0.080 176.120 176.000 0.066 0.000 0.932 488 Q CA 0.372 56.209 55.803 0.057 0.000 0.945 488 Q CB -0.231 28.533 28.738 0.043 0.000 1.045 488 Q HN 0.722 nan 8.270 nan 0.000 0.511 489 E N 0.661 120.911 120.200 0.084 0.000 2.349 489 E HA 0.517 4.866 4.350 -0.001 0.000 0.262 489 E C 0.210 176.882 176.600 0.120 0.000 1.088 489 E CA 0.095 56.554 56.400 0.098 0.000 0.899 489 E CB 0.563 30.332 29.700 0.115 0.000 1.044 489 E HN 0.454 nan 8.360 nan 0.000 0.420 490 S N 1.225 116.999 115.700 0.123 0.000 2.546 490 S HA 0.028 4.497 4.470 -0.001 0.000 0.290 490 S C 0.197 174.911 174.600 0.190 0.000 1.290 490 S CA -0.206 58.071 58.200 0.129 0.000 1.069 490 S CB 0.116 63.380 63.200 0.106 0.000 0.846 490 S HN 0.159 nan 8.310 nan 0.000 0.495 491 K N 2.947 123.454 120.400 0.178 0.000 2.258 491 K HA 0.133 4.453 4.320 -0.001 0.000 0.284 491 K C -0.437 176.345 176.600 0.302 0.000 1.051 491 K CA -0.665 55.762 56.287 0.233 0.000 0.923 491 K CB 0.635 33.246 32.500 0.185 0.000 1.046 491 K HN 0.703 nan 8.250 nan 0.000 0.474 492 W N 7.744 129.124 121.300 0.133 0.000 2.605 492 W HA 0.179 4.839 4.660 -0.001 0.000 0.327 492 W C -2.391 174.257 176.519 0.215 0.000 1.332 492 W CA -2.849 54.569 57.345 0.122 0.000 1.403 492 W CB -0.410 29.043 29.460 -0.011 0.000 1.452 492 W HN 0.496 nan 8.180 nan 0.000 0.503 493 P HA -0.024 nan 4.420 nan 0.000 0.270 493 P C -0.564 176.950 177.300 0.357 0.000 1.223 493 P CA -0.343 62.978 63.100 0.369 0.000 0.785 493 P CB 1.350 33.187 31.700 0.228 0.000 0.923 494 L N 2.944 124.237 121.223 0.116 0.000 2.380 494 L HA 0.315 4.654 4.340 -0.001 0.000 0.273 494 L C -0.158 176.705 176.870 -0.011 0.000 1.138 494 L CA -0.525 54.203 54.840 -0.188 0.000 0.832 494 L CB -0.362 41.581 42.059 -0.193 0.000 1.124 494 L HN 0.202 nan 8.230 nan 0.000 0.454 495 F N 4.358 124.221 119.950 -0.145 0.000 2.445 495 F HA 0.463 4.989 4.527 -0.001 0.000 0.359 495 F C 0.309 176.087 175.800 -0.036 0.000 1.101 495 F CA -0.035 57.963 58.000 -0.003 0.000 1.177 495 F CB 0.532 39.556 39.000 0.040 0.000 1.110 495 F HN 0.657 nan 8.300 nan 0.000 0.522 496 T N 1.206 115.483 114.554 -0.462 0.000 2.908 496 T HA 0.269 4.619 4.350 -0.001 0.000 0.290 496 T C 0.902 175.334 174.700 -0.447 0.000 1.034 496 T CA -0.410 61.516 62.100 -0.291 0.000 1.010 496 T CB 1.532 70.297 68.868 -0.172 0.000 1.068 496 T HN 0.537 nan 8.240 nan 0.000 0.481 497 T N 1.048 115.491 114.554 -0.185 0.000 2.737 497 T HA -0.076 4.273 4.350 -0.001 0.000 0.269 497 T C 2.451 177.059 174.700 -0.154 0.000 1.040 497 T CA 2.281 64.308 62.100 -0.122 0.000 1.142 497 T CB -0.669 68.163 68.868 -0.060 0.000 0.861 497 T HN 0.880 nan 8.240 nan 0.000 0.456 498 K N 1.681 121.991 120.400 -0.150 0.000 2.005 498 K HA 0.017 4.337 4.320 -0.001 0.000 0.206 498 K C 2.151 178.671 176.600 -0.134 0.000 1.044 498 K CA 1.170 57.388 56.287 -0.114 0.000 0.942 498 K CB -0.710 31.740 32.500 -0.083 0.000 0.727 498 K HN 0.322 nan 8.250 nan 0.000 0.439 499 E N 0.215 120.313 120.200 -0.170 0.000 2.112 499 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 499 E C 0.214 176.692 176.600 -0.204 0.000 0.979 499 E CA 0.642 56.953 56.400 -0.147 0.000 0.814 499 E CB 0.022 29.655 29.700 -0.112 0.000 0.762 499 E HN 0.631 nan 8.360 nan 0.000 0.460 500 Q N 0.453 119.962 119.800 -0.486 0.000 2.457 500 Q HA -0.203 4.136 4.340 -0.001 0.000 0.283 500 Q C -0.624 175.316 176.000 -0.100 0.000 1.234 500 Q CA 0.685 56.053 55.803 -0.726 0.000 0.877 500 Q CB -1.539 27.036 28.738 -0.272 0.000 1.250 500 Q HN 0.198 nan 8.270 nan 0.000 0.481 501 K N 0.454 120.833 120.400 -0.035 0.000 2.202 501 K HA 0.573 4.893 4.320 -0.001 0.000 0.264 501 K C 0.050 176.960 176.600 0.516 0.000 1.010 501 K CA 0.168 56.574 56.287 0.197 0.000 0.940 501 K CB 0.493 33.047 32.500 0.091 0.000 0.983 501 K HN 0.216 nan 8.250 nan 0.000 0.475 502 F N -0.488 119.635 119.950 0.289 0.000 2.745 502 F HA 0.619 5.146 4.527 -0.001 0.000 0.316 502 F C -1.180 174.735 175.800 0.192 0.000 1.155 502 F CA -1.500 56.699 58.000 0.332 0.000 0.937 502 F CB 0.814 40.014 39.000 0.333 0.000 1.361 502 F HN 0.417 nan 8.300 nan 0.000 0.472 503 I N -0.883 119.760 120.570 0.122 0.000 2.892 503 I HA 0.651 4.820 4.170 -0.001 0.000 0.306 503 I C -1.302 174.931 176.117 0.194 0.000 1.078 503 I CA -0.893 60.346 61.300 -0.102 0.000 1.032 503 I CB 2.073 39.835 38.000 -0.397 0.000 1.229 503 I HN 0.435 nan 8.210 nan 0.000 0.435 504 D N 3.611 124.128 120.400 0.196 0.000 2.264 504 D HA 0.496 5.135 4.640 -0.001 0.000 0.249 504 D C -0.696 175.689 176.300 0.143 0.000 1.070 504 D CA 0.136 54.330 54.000 0.323 0.000 0.912 504 D CB 2.218 43.204 40.800 0.310 0.000 1.193 504 D HN 0.452 nan 8.370 nan 0.000 0.427 505 L N 3.292 124.601 121.223 0.143 0.000 2.366 505 L HA 0.344 4.683 4.340 -0.001 0.000 0.266 505 L C 0.060 176.829 176.870 -0.168 0.000 1.010 505 L CA -0.412 54.458 54.840 0.051 0.000 0.879 505 L CB 0.095 42.274 42.059 0.200 0.000 1.228 505 L HN 0.451 nan 8.230 nan 0.000 0.439 506 N N -0.367 118.251 118.700 -0.137 0.000 3.344 506 N HA 0.210 4.949 4.740 -0.001 0.000 0.296 506 N C 0.255 175.656 175.510 -0.182 0.000 1.571 506 N CA -0.532 52.384 53.050 -0.224 0.000 0.844 506 N CB 1.291 39.714 38.487 -0.107 0.000 1.718 506 N HN 0.139 nan 8.380 nan 0.000 0.589 507 T N -2.825 111.593 114.554 -0.226 0.000 3.160 507 T HA 0.083 4.433 4.350 -0.001 0.000 0.257 507 T C 0.140 174.808 174.700 -0.053 0.000 1.147 507 T CA 0.723 62.724 62.100 -0.165 0.000 1.064 507 T CB -0.233 68.514 68.868 -0.203 0.000 0.949 507 T HN 0.391 nan 8.240 nan 0.000 0.526 508 E N 1.948 122.135 120.200 -0.022 0.000 2.280 508 E HA 0.475 4.825 4.350 -0.001 0.000 0.261 508 E C -2.615 173.992 176.600 0.012 0.000 1.088 508 E CA -2.381 54.024 56.400 0.008 0.000 0.915 508 E CB 0.051 29.768 29.700 0.027 0.000 1.141 508 E HN 0.130 nan 8.360 nan 0.000 0.433 509 P HA -0.016 nan 4.420 nan 0.000 0.267 509 P C -0.340 176.974 177.300 0.022 0.000 1.205 509 P CA 0.142 63.255 63.100 0.022 0.000 0.765 509 P CB 0.356 32.068 31.700 0.019 0.000 0.828 510 M N 3.389 123.009 119.600 0.034 0.000 2.226 510 M HA -0.085 4.394 4.480 -0.001 0.000 0.352 510 M C -0.023 176.262 176.300 -0.025 0.000 1.226 510 M CA 1.152 56.465 55.300 0.021 0.000 0.943 510 M CB -0.022 32.611 32.600 0.056 0.000 1.805 510 M HN 0.228 nan 8.290 nan 0.000 0.465 511 K N 4.207 124.564 120.400 -0.072 0.000 2.443 511 K HA 0.572 4.892 4.320 -0.001 0.000 0.252 511 K C -1.825 174.545 176.600 -0.382 0.000 0.933 511 K CA -0.823 55.348 56.287 -0.193 0.000 0.792 511 K CB 1.919 34.331 32.500 -0.148 0.000 1.185 511 K HN 0.586 nan 8.250 nan 0.000 0.425 512 V N 4.696 124.337 119.914 -0.455 0.000 2.472 512 V HA 0.424 4.544 4.120 -0.001 0.000 0.290 512 V C -0.110 175.513 176.094 -0.786 0.000 1.037 512 V CA -0.554 61.455 62.300 -0.485 0.000 0.908 512 V CB 1.290 32.983 31.823 -0.216 0.000 0.985 512 V HN 0.792 nan 8.190 nan 0.000 0.454 513 H N 2.805 121.527 119.070 -0.580 0.000 2.949 513 H HA 0.670 5.225 4.556 -0.001 0.000 0.310 513 H C -1.120 173.970 175.328 -0.397 0.000 1.405 513 H CA -0.840 54.863 56.048 -0.575 0.000 1.253 513 H CB 2.239 31.481 29.762 -0.866 0.000 1.932 513 H HN 0.576 nan 8.280 nan 0.000 0.602 514 Q N 0.113 119.977 119.800 0.107 0.000 2.416 514 Q HA 0.371 4.710 4.340 -0.001 0.000 0.281 514 Q C -0.744 175.496 176.000 0.400 0.000 1.067 514 Q CA -0.973 54.985 55.803 0.259 0.000 0.809 514 Q CB 2.958 31.761 28.738 0.108 0.000 1.418 514 Q HN 0.451 nan 8.270 nan 0.000 0.411 515 R N 0.914 121.623 120.500 0.349 0.000 3.059 515 R HA -0.206 4.134 4.340 -0.001 0.000 0.251 515 R C -0.615 175.806 176.300 0.201 0.000 0.886 515 R CA -0.135 56.112 56.100 0.246 0.000 0.634 515 R CB -1.454 28.939 30.300 0.154 0.000 1.282 515 R HN 0.451 nan 8.270 nan 0.000 0.487 516 L N 2.590 123.853 121.223 0.066 0.000 2.700 516 L HA -0.034 4.305 4.340 -0.001 0.000 0.272 516 L C 0.763 177.567 176.870 -0.110 0.000 1.176 516 L CA 0.772 55.426 54.840 -0.311 0.000 0.961 516 L CB -0.263 41.283 42.059 -0.855 0.000 1.249 516 L HN 0.459 nan 8.230 nan 0.000 0.487 517 R N 2.170 122.630 120.500 -0.068 0.000 3.322 517 R HA -0.190 4.150 4.340 -0.001 0.000 0.253 517 R C 1.156 177.508 176.300 0.087 0.000 0.987 517 R CA 0.573 56.686 56.100 0.022 0.000 0.666 517 R CB -2.138 28.192 30.300 0.050 0.000 1.072 517 R HN 0.723 nan 8.270 nan 0.000 0.447 518 V N -2.357 117.608 119.914 0.085 0.000 2.295 518 V HA -0.332 3.788 4.120 -0.001 0.000 0.246 518 V C 2.331 178.494 176.094 0.115 0.000 1.049 518 V CA 2.086 64.451 62.300 0.109 0.000 1.024 518 V CB -0.485 31.395 31.823 0.096 0.000 0.648 518 V HN 0.318 nan 8.190 nan 0.000 0.447 519 Q N -0.094 119.755 119.800 0.082 0.000 2.014 519 Q HA -0.203 4.137 4.340 -0.001 0.000 0.207 519 Q C 2.172 178.230 176.000 0.096 0.000 0.993 519 Q CA 2.332 58.170 55.803 0.058 0.000 0.850 519 Q CB -0.441 28.300 28.738 0.006 0.000 0.916 519 Q HN 0.530 nan 8.270 nan 0.000 0.417 520 M N -1.235 118.446 119.600 0.134 0.000 2.175 520 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 520 M C 2.325 178.918 176.300 0.487 0.000 1.063 520 M CA 0.887 56.350 55.300 0.271 0.000 1.119 520 M CB -1.131 31.685 32.600 0.359 0.000 1.377 520 M HN 0.321 nan 8.290 nan 0.000 0.415 521 c N -0.498 118.326 118.600 0.372 0.000 2.468 521 c HA 0.007 4.577 4.570 -0.001 0.000 0.277 521 c C 2.893 177.162 174.090 0.298 0.000 1.400 521 c CA 0.121 56.675 56.329 0.374 0.000 1.770 521 c CB -0.855 41.809 42.510 0.256 0.000 1.905 521 c HN 0.304 nan 8.230 nan 0.000 0.519 522 V N 0.416 120.472 119.914 0.237 0.000 2.453 522 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 522 V C 2.031 178.244 176.094 0.199 0.000 1.048 522 V CA 1.915 64.327 62.300 0.187 0.000 1.049 522 V CB -0.725 31.184 31.823 0.142 0.000 0.672 522 V HN 0.553 nan 8.190 nan 0.000 0.457 523 F N 0.008 120.000 119.950 0.070 0.000 2.075 523 F HA -0.174 4.353 4.527 -0.001 0.000 0.297 523 F C 1.991 177.776 175.800 -0.026 0.000 1.113 523 F CA 1.676 59.668 58.000 -0.014 0.000 1.218 523 F CB -0.426 38.449 39.000 -0.209 0.000 0.984 523 F HN 0.160 nan 8.300 nan 0.000 0.472 524 W N 0.645 122.015 121.300 0.115 0.000 2.381 524 W HA -0.136 4.524 4.660 -0.001 0.000 0.301 524 W C 2.180 178.659 176.519 -0.066 0.000 1.205 524 W CA 0.980 58.323 57.345 -0.003 0.000 1.285 524 W CB -0.520 29.056 29.460 0.193 0.000 1.133 524 W HN -0.023 nan 8.180 nan 0.000 0.521 525 N N -0.861 117.958 118.700 0.199 0.000 2.395 525 N HA -0.067 4.673 4.740 -0.001 0.000 0.175 525 N C 1.590 177.103 175.510 0.004 0.000 1.029 525 N CA 0.974 54.059 53.050 0.058 0.000 0.897 525 N CB -0.391 38.156 38.487 0.101 0.000 0.991 525 N HN 0.140 nan 8.380 nan 0.000 0.441 526 Q N -0.527 119.291 119.800 0.030 0.000 2.627 526 Q HA 0.237 4.577 4.340 -0.001 0.000 0.201 526 Q C 1.660 177.643 176.000 -0.027 0.000 0.912 526 Q CA -0.156 55.661 55.803 0.023 0.000 0.877 526 Q CB -0.730 28.060 28.738 0.087 0.000 1.125 526 Q HN 0.392 nan 8.270 nan 0.000 0.637 527 F N 1.594 121.451 119.950 -0.154 0.000 2.031 527 F HA -0.131 4.395 4.527 -0.001 0.000 0.295 527 F C 2.069 177.667 175.800 -0.337 0.000 1.133 527 F CA 1.721 59.598 58.000 -0.205 0.000 1.188 527 F CB -0.610 38.308 39.000 -0.136 0.000 0.974 527 F HN 0.218 nan 8.300 nan 0.000 0.473 528 L N 1.072 121.873 121.223 -0.703 0.000 2.013 528 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 528 L C -0.866 175.714 176.870 -0.482 0.000 1.073 528 L CA 2.251 56.629 54.840 -0.770 0.000 0.753 528 L CB -1.910 39.545 42.059 -1.007 0.000 0.890 528 L HN 0.035 nan 8.230 nan 0.000 0.432 529 P HA -0.201 nan 4.420 nan 0.000 0.217 529 P C 1.450 178.609 177.300 -0.234 0.000 1.150 529 P CA 1.548 64.521 63.100 -0.212 0.000 0.832 529 P CB -0.059 31.555 31.700 -0.143 0.000 0.787 530 K N -0.200 120.025 120.400 -0.292 0.000 2.057 530 K HA -0.113 4.206 4.320 -0.001 0.000 0.206 530 K C 2.020 178.419 176.600 -0.336 0.000 1.050 530 K CA 0.870 56.994 56.287 -0.272 0.000 0.935 530 K CB -0.692 31.658 32.500 -0.250 0.000 0.715 530 K HN 0.051 nan 8.250 nan 0.000 0.439 531 L N 1.200 122.102 121.223 -0.534 0.000 1.994 531 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 531 L C 2.132 178.835 176.870 -0.279 0.000 1.071 531 L CA 1.357 55.909 54.840 -0.479 0.000 0.745 531 L CB -0.232 41.429 42.059 -0.663 0.000 0.892 531 L HN 0.216 nan 8.230 nan 0.000 0.431 532 L N 0.008 121.075 121.223 -0.259 0.000 2.131 532 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 532 L C 2.513 179.295 176.870 -0.146 0.000 1.092 532 L CA 1.529 56.259 54.840 -0.184 0.000 0.759 532 L CB -0.967 40.989 42.059 -0.171 0.000 0.903 532 L HN 0.513 nan 8.230 nan 0.000 0.435 533 N N 0.620 119.233 118.700 -0.145 0.000 2.084 533 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 533 N C 1.864 177.318 175.510 -0.094 0.000 1.030 533 N CA 1.529 54.516 53.050 -0.106 0.000 0.849 533 N CB 0.140 38.567 38.487 -0.100 0.000 1.012 533 N HN 0.320 nan 8.380 nan 0.000 0.423 534 A N 0.265 123.018 122.820 -0.110 0.000 1.969 534 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 534 A C 1.440 178.978 177.584 -0.077 0.000 1.169 534 A CA 1.596 53.581 52.037 -0.088 0.000 0.635 534 A CB -0.706 18.236 19.000 -0.095 0.000 0.810 534 A HN 0.602 nan 8.150 nan 0.000 0.445 535 T N 0.000 114.498 114.554 -0.093 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.051 62.100 -0.082 0.000 1.349 535 T CB 0.000 68.816 68.868 -0.087 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658