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 1z45_1_A DATA FIRST_RESID 11 DATA SEQUENCE SKIVLVTGGA GYIGSHTVVE LIENGYDCVV ADNLSNSTYD SVARLEVLTK DATA SEQUENCE HHIPFYEVDL CDRKGLEKVF KEYKIDSVIH FAGLKAVGES TQIPLRYYHN DATA SEQUENCE NILGTVVLLE LMQQYNVSKF VFSSSATVYG DATRFPNMIP IPEECPLGPT DATA SEQUENCE NPYGHTKYAI ENILNDLYNS DKKSWKFAIL RYFNPIGAHP SGLIGEDPLG DATA SEQUENCE IPNNLLPYMA QVAVGRREKL YIFXXXXXXR DGTPIRDYIH VVDLAKGHIA DATA SEQUENCE ALQYLEAYNE NEGLCREWNL GSGKGSTVFE VYHAFCKASG IDLPYXXXXX DATA SEQUENCE XXXXVLNLTA KPDRAKRELK WQTELQVEDS CKDLWKWTTE NPFGYQLRGV DATA SEQUENCE EARFSAEDMR YDARFVTIGA GTRFQATFAN LGASIVDLKV NGQSVVLGYE DATA SEQUENCE NEEGYLNPDS AYIGATIGRY ANRISKGKFS LCNKDYQLTV NNGVNANHSS DATA SEQUENCE IGSFHRKRFL GPIIQNPSKD VFTAEYMLID NEKDTEFPGD LLVTIQYTVN DATA SEQUENCE VAQKSLEIVY KGKLTAGEAT PINLTNHSYF NLNKPYGDTI EGTEIMVRSK DATA SEQUENCE KSVDVDKNMI PTGNIVDREI ATFNSTKPTV LGPKNPQFDC CFVVDENAKP DATA SEQUENCE SQINTLNNEL TLIVKAFHPD SNITLEVLST EPTYQFYTGD FLSAGYEARQ DATA SEQUENCE GFAIEPGRYI DAINQENWKD CVTLKNGETY GSKIVYRFS 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.639 174.600 0.065 0.000 1.055 11 S CA 0.000 58.222 58.200 0.036 0.000 1.107 11 S CB 0.000 63.234 63.200 0.057 0.000 0.593 12 K N 3.261 123.697 120.400 0.061 0.000 2.368 12 K HA 0.411 4.771 4.320 0.066 0.000 0.282 12 K C -0.466 176.254 176.600 0.200 0.000 1.035 12 K CA 0.068 56.447 56.287 0.152 0.000 0.973 12 K CB 0.510 33.144 32.500 0.223 0.000 0.957 12 K HN 0.501 nan 8.250 nan 0.000 0.474 13 I N 3.647 124.312 120.570 0.159 0.000 2.321 13 I HA 0.137 4.347 4.170 0.066 0.000 0.291 13 I C -0.414 175.751 176.117 0.080 0.000 0.998 13 I CA -0.966 60.398 61.300 0.107 0.000 1.227 13 I CB 1.453 39.502 38.000 0.083 0.000 1.368 13 I HN 0.187 nan 8.210 nan 0.000 0.466 14 V N 7.104 127.042 119.914 0.039 0.000 2.394 14 V HA 0.251 4.411 4.120 0.066 0.000 0.282 14 V C -0.092 175.968 176.094 -0.057 0.000 1.031 14 V CA -0.726 61.565 62.300 -0.014 0.000 0.881 14 V CB 1.679 33.452 31.823 -0.083 0.000 0.982 14 V HN 0.427 nan 8.190 nan 0.000 0.451 15 L N 7.272 128.458 121.223 -0.063 0.000 2.278 15 L HA 0.477 4.857 4.340 0.066 0.000 0.287 15 L C -0.187 176.662 176.870 -0.036 0.000 1.072 15 L CA 0.393 55.169 54.840 -0.107 0.000 0.819 15 L CB 1.189 43.137 42.059 -0.185 0.000 1.176 15 L HN 0.457 nan 8.230 nan 0.000 0.435 16 V N 4.724 124.634 119.914 -0.008 0.000 2.277 16 V HA 0.311 4.471 4.120 0.066 0.000 0.269 16 V C 0.598 176.771 176.094 0.132 0.000 1.036 16 V CA -0.318 62.038 62.300 0.093 0.000 0.821 16 V CB 0.612 32.497 31.823 0.104 0.000 1.052 16 V HN 0.899 nan 8.190 nan 0.000 0.462 17 T N 1.079 115.740 114.554 0.179 0.000 2.913 17 T HA 0.491 4.881 4.350 0.066 0.000 0.297 17 T C 1.244 176.110 174.700 0.277 0.000 1.029 17 T CA 0.514 62.741 62.100 0.212 0.000 1.104 17 T CB 1.321 70.377 68.868 0.314 0.000 0.964 17 T HN 1.732 nan 8.240 nan 0.000 0.532 18 G N 1.654 110.575 108.800 0.202 0.000 2.203 18 G HA2 -0.209 3.791 3.960 0.066 0.000 0.263 18 G HA3 -0.209 3.791 3.960 0.066 0.000 0.263 18 G C 1.026 175.983 174.900 0.096 0.000 1.012 18 G CA 0.324 45.528 45.100 0.174 0.000 0.749 18 G HN 1.481 nan 8.290 nan 0.000 0.512 19 G N -0.258 108.597 108.800 0.091 0.000 2.559 19 G HA2 0.267 4.267 3.960 0.066 0.000 0.216 19 G HA3 0.267 4.267 3.960 0.066 0.000 0.216 19 G C 1.601 176.464 174.900 -0.062 0.000 1.126 19 G CA 1.700 46.789 45.100 -0.018 0.000 0.778 19 G HN 1.543 nan 8.290 nan 0.000 0.543 20 A N 0.086 122.916 122.820 0.018 0.000 2.218 20 A HA 0.551 4.911 4.320 0.066 0.000 0.209 20 A C 1.597 179.141 177.584 -0.067 0.000 1.168 20 A CA 0.767 52.767 52.037 -0.062 0.000 0.804 20 A CB -0.112 18.881 19.000 -0.012 0.000 0.834 20 A HN 0.473 nan 8.150 nan 0.000 0.482 21 G N -2.267 106.509 108.800 -0.041 0.000 2.535 21 G HA2 0.297 4.297 3.960 0.066 0.000 0.282 21 G HA3 0.297 4.297 3.960 0.066 0.000 0.282 21 G C 0.667 175.571 174.900 0.006 0.000 1.350 21 G CA 0.026 45.132 45.100 0.008 0.000 1.039 21 G HN 0.163 nan 8.290 nan 0.000 0.509 22 Y N -0.018 120.233 120.300 -0.081 0.000 2.034 22 Y HA -0.168 4.422 4.550 0.066 0.000 0.269 22 Y C 2.675 178.515 175.900 -0.099 0.000 1.125 22 Y CA 1.914 59.976 58.100 -0.064 0.000 1.097 22 Y CB -0.611 37.819 38.460 -0.051 0.000 0.978 22 Y HN 0.278 nan 8.280 nan 0.000 0.480 23 I N -0.027 120.256 120.570 -0.478 0.000 2.315 23 I HA -0.195 4.015 4.170 0.066 0.000 0.248 23 I C 2.661 178.216 176.117 -0.938 0.000 1.117 23 I CA 1.257 62.116 61.300 -0.735 0.000 1.404 23 I CB -1.117 36.549 38.000 -0.556 0.000 1.071 23 I HN 0.385 nan 8.210 nan 0.000 0.419 24 G N 1.085 109.158 108.800 -1.212 0.000 2.446 24 G HA2 -0.299 3.701 3.960 0.066 0.000 0.217 24 G HA3 -0.299 3.701 3.960 0.066 0.000 0.217 24 G C 1.833 176.341 174.900 -0.654 0.000 1.168 24 G CA 1.201 45.394 45.100 -1.513 0.000 0.771 24 G HN 0.510 nan 8.290 nan 0.000 0.551 25 S N 0.466 115.922 115.700 -0.408 0.000 2.370 25 S HA -0.196 4.313 4.470 0.066 0.000 0.226 25 S C 2.049 176.440 174.600 -0.348 0.000 1.033 25 S CA 1.794 59.798 58.200 -0.327 0.000 1.011 25 S CB -0.709 62.314 63.200 -0.296 0.000 0.852 25 S HN 0.535 nan 8.310 nan 0.000 0.457 26 H N 1.459 120.333 119.070 -0.327 0.000 2.389 26 H HA 0.069 4.665 4.556 0.067 0.000 0.299 26 H C 2.392 177.590 175.328 -0.216 0.000 1.081 26 H CA 1.867 57.774 56.048 -0.236 0.000 1.345 26 H CB -0.677 28.940 29.762 -0.241 0.000 1.393 26 H HN 0.437 nan 8.280 nan 0.000 0.520 27 T N -0.288 114.135 114.554 -0.219 0.000 2.867 27 T HA -0.102 4.288 4.350 0.066 0.000 0.268 27 T C 2.273 176.902 174.700 -0.117 0.000 1.057 27 T CA 0.993 62.984 62.100 -0.181 0.000 1.136 27 T CB -0.330 68.389 68.868 -0.249 0.000 0.874 27 T HN 0.097 nan 8.240 nan 0.000 0.466 28 V N 1.445 121.265 119.914 -0.156 0.000 2.332 28 V HA -0.171 3.988 4.120 0.066 0.000 0.248 28 V C 2.652 178.688 176.094 -0.097 0.000 1.055 28 V CA 1.316 63.546 62.300 -0.117 0.000 1.038 28 V CB -0.723 31.015 31.823 -0.142 0.000 0.651 28 V HN 0.326 nan 8.190 nan 0.000 0.450 29 V N -0.221 119.625 119.914 -0.113 0.000 2.287 29 V HA -0.249 3.911 4.120 0.066 0.000 0.248 29 V C 2.598 178.685 176.094 -0.012 0.000 1.053 29 V CA 2.052 64.303 62.300 -0.081 0.000 1.027 29 V CB -0.664 31.103 31.823 -0.093 0.000 0.646 29 V HN 0.555 nan 8.190 nan 0.000 0.447 30 E N -0.068 120.140 120.200 0.014 0.000 2.110 30 E HA -0.157 4.233 4.350 0.066 0.000 0.193 30 E C 2.206 178.845 176.600 0.065 0.000 0.988 30 E CA 1.095 57.527 56.400 0.053 0.000 0.804 30 E CB -0.323 29.416 29.700 0.064 0.000 0.745 30 E HN 0.534 nan 8.360 nan 0.000 0.458 31 L N 0.395 121.636 121.223 0.030 0.000 2.005 31 L HA -0.145 4.235 4.340 0.066 0.000 0.207 31 L C 2.576 179.520 176.870 0.122 0.000 1.072 31 L CA 0.960 55.846 54.840 0.077 0.000 0.744 31 L CB -0.387 41.653 42.059 -0.032 0.000 0.895 31 L HN 0.073 nan 8.230 nan 0.000 0.433 32 I N -0.326 120.238 120.570 -0.011 0.000 2.226 32 I HA -0.301 3.909 4.170 0.066 0.000 0.245 32 I C 2.558 178.616 176.117 -0.098 0.000 1.100 32 I CA 1.362 62.580 61.300 -0.138 0.000 1.374 32 I CB -0.310 37.544 38.000 -0.244 0.000 1.057 32 I HN 0.360 nan 8.210 nan 0.000 0.413 33 E N 0.986 121.177 120.200 -0.014 0.000 2.265 33 E HA -0.194 4.196 4.350 0.066 0.000 0.196 33 E C 1.323 177.948 176.600 0.042 0.000 0.996 33 E CA 0.794 57.207 56.400 0.023 0.000 0.832 33 E CB 0.078 29.809 29.700 0.051 0.000 0.756 33 E HN 0.466 nan 8.360 nan 0.000 0.491 34 N N -0.676 118.074 118.700 0.083 0.000 2.276 34 N HA 0.038 4.818 4.740 0.066 0.000 0.212 34 N C 0.468 175.956 175.510 -0.036 0.000 1.127 34 N CA 0.708 53.812 53.050 0.091 0.000 0.834 34 N CB 1.285 39.915 38.487 0.238 0.000 1.014 34 N HN 0.308 nan 8.380 nan 0.000 0.491 35 G N 0.416 109.182 108.800 -0.056 0.000 2.175 35 G HA2 -0.273 3.727 3.960 0.066 0.000 0.244 35 G HA3 -0.273 3.727 3.960 0.066 0.000 0.244 35 G C -0.270 174.519 174.900 -0.185 0.000 0.982 35 G CA -0.118 44.895 45.100 -0.144 0.000 0.641 35 G HN 0.341 nan 8.290 nan 0.000 0.527 36 Y N 0.908 121.179 120.300 -0.048 0.000 2.354 36 Y HA 0.586 5.176 4.550 0.067 0.000 0.322 36 Y C 0.561 176.413 175.900 -0.079 0.000 1.253 36 Y CA -0.630 57.448 58.100 -0.037 0.000 1.272 36 Y CB 0.890 39.339 38.460 -0.018 0.000 1.255 36 Y HN -0.010 nan 8.280 nan 0.000 0.500 37 D N 0.647 121.125 120.400 0.131 0.000 2.163 37 D HA 0.429 5.109 4.640 0.066 0.000 0.248 37 D C -1.095 175.220 176.300 0.024 0.000 1.035 37 D CA -0.140 53.891 54.000 0.051 0.000 0.872 37 D CB 1.354 42.200 40.800 0.076 0.000 1.183 37 D HN 0.460 nan 8.370 nan 0.000 0.445 38 C N 1.222 120.501 119.300 -0.036 0.000 2.561 38 C HA 0.694 5.194 4.460 0.066 0.000 0.319 38 C C -0.155 174.753 174.990 -0.137 0.000 1.198 38 C CA -0.701 58.275 59.018 -0.070 0.000 1.665 38 C CB 1.702 29.405 27.740 -0.061 0.000 2.258 38 C HN 0.288 nan 8.230 nan 0.000 0.493 39 V N 2.593 122.409 119.914 -0.164 0.000 2.540 39 V HA 0.577 4.737 4.120 0.066 0.000 0.302 39 V C -0.439 175.607 176.094 -0.081 0.000 1.035 39 V CA -0.376 61.800 62.300 -0.206 0.000 0.873 39 V CB 1.863 33.452 31.823 -0.390 0.000 0.992 39 V HN 0.711 nan 8.190 nan 0.000 0.428 40 V N 3.522 123.447 119.914 0.018 0.000 2.513 40 V HA 0.849 5.009 4.120 0.066 0.000 0.299 40 V C 0.212 176.297 176.094 -0.015 0.000 1.035 40 V CA -0.448 61.892 62.300 0.068 0.000 0.889 40 V CB 1.851 33.807 31.823 0.221 0.000 0.988 40 V HN 0.998 nan 8.190 nan 0.000 0.440 41 A N 3.489 126.277 122.820 -0.053 0.000 2.311 41 A HA 0.773 5.133 4.320 0.066 0.000 0.306 41 A C -0.951 176.596 177.584 -0.062 0.000 1.189 41 A CA -0.381 51.573 52.037 -0.137 0.000 0.791 41 A CB 0.887 19.812 19.000 -0.126 0.000 1.172 41 A HN 0.765 nan 8.150 nan 0.000 0.481 42 D N 1.352 121.672 120.400 -0.135 0.000 2.927 42 D HA 0.107 4.787 4.640 0.066 0.000 0.219 42 D C -0.001 176.328 176.300 0.047 0.000 1.248 42 D CA -0.268 53.760 54.000 0.046 0.000 0.861 42 D CB 1.374 42.308 40.800 0.224 0.000 1.677 42 D HN 0.674 nan 8.370 nan 0.000 0.511 43 N N 3.186 121.932 118.700 0.076 0.000 2.398 43 N HA 0.070 4.850 4.740 0.066 0.000 0.188 43 N C 0.553 176.134 175.510 0.118 0.000 1.122 43 N CA -0.174 52.926 53.050 0.083 0.000 0.866 43 N CB 0.139 38.663 38.487 0.063 0.000 0.970 43 N HN 0.427 nan 8.380 nan 0.000 0.462 44 L N 0.424 121.731 121.223 0.141 0.000 3.843 44 L HA -0.278 4.101 4.340 0.066 0.000 0.411 44 L C 1.194 178.124 176.870 0.100 0.000 1.205 44 L CA 0.311 55.230 54.840 0.131 0.000 0.945 44 L CB -2.568 39.580 42.059 0.148 0.000 1.929 44 L HN 0.440 nan 8.230 nan 0.000 0.934 45 S N -1.984 113.765 115.700 0.082 0.000 2.461 45 S HA -0.047 4.463 4.470 0.066 0.000 0.228 45 S C 1.160 175.797 174.600 0.062 0.000 1.005 45 S CA 1.131 59.369 58.200 0.063 0.000 0.942 45 S CB 0.052 63.276 63.200 0.039 0.000 0.776 45 S HN 0.631 nan 8.310 nan 0.000 0.514 46 N N 0.728 119.469 118.700 0.069 0.000 2.475 46 N HA 0.242 5.022 4.740 0.066 0.000 0.272 46 N C -0.972 174.589 175.510 0.084 0.000 1.482 46 N CA 0.218 53.311 53.050 0.071 0.000 0.863 46 N CB 1.050 39.574 38.487 0.062 0.000 1.400 46 N HN 0.478 nan 8.380 nan 0.000 0.489 47 S N -2.051 113.700 115.700 0.085 0.000 2.636 47 S HA 0.684 5.194 4.470 0.066 0.000 0.268 47 S C -0.791 173.845 174.600 0.060 0.000 1.159 47 S CA -0.695 57.552 58.200 0.078 0.000 0.815 47 S CB 1.378 64.609 63.200 0.052 0.000 1.130 47 S HN 0.134 nan 8.310 nan 0.000 0.471 48 T N -1.571 112.988 114.554 0.009 0.000 2.916 48 T HA 0.539 4.929 4.350 0.066 0.000 0.292 48 T C 0.222 174.812 174.700 -0.183 0.000 1.055 48 T CA -0.654 61.432 62.100 -0.023 0.000 1.009 48 T CB 1.104 69.988 68.868 0.028 0.000 1.118 48 T HN 0.810 nan 8.240 nan 0.000 0.497 49 Y N 1.291 121.382 120.300 -0.349 0.000 2.403 49 Y HA -0.083 4.507 4.550 0.066 0.000 0.291 49 Y C 1.476 177.099 175.900 -0.462 0.000 1.143 49 Y CA 1.685 59.422 58.100 -0.605 0.000 1.257 49 Y CB -0.771 37.289 38.460 -0.668 0.000 0.984 49 Y HN 0.726 nan 8.280 nan 0.000 0.550 50 D N -0.487 119.644 120.400 -0.448 0.000 2.190 50 D HA -0.244 4.435 4.640 0.066 0.000 0.200 50 D C 2.431 178.211 176.300 -0.866 0.000 0.992 50 D CA 1.819 55.493 54.000 -0.542 0.000 0.854 50 D CB -0.637 39.995 40.800 -0.279 0.000 0.936 50 D HN 0.528 nan 8.370 nan 0.000 0.462 51 S N -0.080 114.972 115.700 -1.080 0.000 2.382 51 S HA -0.126 4.384 4.470 0.066 0.000 0.228 51 S C 2.189 176.394 174.600 -0.658 0.000 1.027 51 S CA 0.851 58.468 58.200 -0.971 0.000 0.991 51 S CB -0.724 62.061 63.200 -0.692 0.000 0.823 51 S HN 0.156 nan 8.310 nan 0.000 0.469 52 V N 2.656 122.098 119.914 -0.787 0.000 2.358 52 V HA -0.083 4.077 4.120 0.066 0.000 0.246 52 V C 3.147 178.844 176.094 -0.663 0.000 1.047 52 V CA 1.571 63.442 62.300 -0.715 0.000 1.035 52 V CB -1.518 29.806 31.823 -0.832 0.000 0.658 52 V HN 0.654 nan 8.190 nan 0.000 0.452 53 A N 0.043 122.297 122.820 -0.942 0.000 1.908 53 A HA -0.248 4.112 4.320 0.066 0.000 0.218 53 A C 2.376 179.790 177.584 -0.284 0.000 1.181 53 A CA 1.926 53.672 52.037 -0.485 0.000 0.627 53 A CB -0.500 18.283 19.000 -0.362 0.000 0.818 53 A HN 0.519 nan 8.150 nan 0.000 0.445 54 R N -0.768 119.542 120.500 -0.315 0.000 2.092 54 R HA 0.030 4.410 4.340 0.066 0.000 0.231 54 R C 2.017 178.212 176.300 -0.174 0.000 1.119 54 R CA 1.162 57.149 56.100 -0.188 0.000 0.970 54 R CB -0.467 29.766 30.300 -0.112 0.000 0.864 54 R HN 0.501 nan 8.270 nan 0.000 0.440 55 L N 0.886 121.971 121.223 -0.229 0.000 2.083 55 L HA -0.188 4.192 4.340 0.066 0.000 0.209 55 L C 2.258 179.063 176.870 -0.108 0.000 1.083 55 L CA 1.351 56.075 54.840 -0.194 0.000 0.752 55 L CB -0.351 41.575 42.059 -0.222 0.000 0.899 55 L HN 0.260 nan 8.230 nan 0.000 0.433 56 E N -0.471 119.679 120.200 -0.082 0.000 2.085 56 E HA -0.220 4.170 4.350 0.066 0.000 0.194 56 E C 2.220 178.833 176.600 0.022 0.000 0.994 56 E CA 1.585 57.993 56.400 0.013 0.000 0.801 56 E CB -0.077 29.662 29.700 0.066 0.000 0.743 56 E HN 0.331 nan 8.360 nan 0.000 0.453 57 V N 1.259 121.165 119.914 -0.014 0.000 2.323 57 V HA -0.212 3.948 4.120 0.066 0.000 0.244 57 V C 2.327 178.414 176.094 -0.012 0.000 1.041 57 V CA 1.222 63.519 62.300 -0.006 0.000 1.025 57 V CB -0.371 31.437 31.823 -0.026 0.000 0.656 57 V HN 0.207 nan 8.190 nan 0.000 0.451 58 L N 1.162 122.355 121.223 -0.050 0.000 2.083 58 L HA -0.147 4.233 4.340 0.066 0.000 0.209 58 L C 2.399 179.250 176.870 -0.031 0.000 1.083 58 L CA 2.723 57.523 54.840 -0.067 0.000 0.752 58 L CB -0.695 41.265 42.059 -0.165 0.000 0.899 58 L HN 0.581 nan 8.230 nan 0.000 0.433 59 T N -4.748 109.803 114.554 -0.004 0.000 3.086 59 T HA 0.101 4.491 4.350 0.066 0.000 0.250 59 T C 0.762 175.587 174.700 0.208 0.000 1.074 59 T CA 0.092 62.233 62.100 0.069 0.000 0.988 59 T CB -0.295 68.591 68.868 0.030 0.000 0.988 59 T HN 0.436 nan 8.240 nan 0.000 0.530 60 K N 1.184 121.654 120.400 0.117 0.000 3.071 60 K HA -0.184 4.176 4.320 0.066 0.000 0.265 60 K C -0.643 175.944 176.600 -0.023 0.000 1.060 60 K CA 0.729 57.052 56.287 0.060 0.000 0.767 60 K CB -2.246 30.270 32.500 0.027 0.000 1.241 60 K HN 0.702 nan 8.250 nan 0.000 0.486 61 H N -0.754 118.334 119.070 0.030 0.000 2.996 61 H HA 0.152 4.748 4.556 0.067 0.000 0.368 61 H C -0.667 174.722 175.328 0.101 0.000 1.185 61 H CA -1.008 55.074 56.048 0.056 0.000 1.160 61 H CB 1.686 31.471 29.762 0.039 0.000 1.820 61 H HN 0.188 nan 8.280 nan 0.000 0.547 62 H N 2.265 121.408 119.070 0.121 0.000 2.732 62 H HA 0.275 4.871 4.556 0.067 0.000 0.351 62 H C -0.579 174.822 175.328 0.121 0.000 1.090 62 H CA 0.155 56.266 56.048 0.106 0.000 1.431 62 H CB 0.285 30.102 29.762 0.092 0.000 1.447 62 H HN 0.439 nan 8.280 nan 0.000 0.582 63 I N 7.687 128.023 120.570 -0.390 0.000 2.495 63 I HA 0.233 4.442 4.170 0.066 0.000 0.277 63 I C -2.322 173.518 176.117 -0.462 0.000 1.045 63 I CA -2.082 59.015 61.300 -0.338 0.000 1.135 63 I CB 1.674 39.611 38.000 -0.106 0.000 1.241 63 I HN 0.526 nan 8.210 nan 0.000 0.469 64 P HA -0.007 nan 4.420 nan 0.000 0.264 64 P C -0.972 176.335 177.300 0.012 0.000 1.183 64 P CA 0.323 63.270 63.100 -0.255 0.000 0.763 64 P CB 0.272 31.866 31.700 -0.176 0.000 0.807 65 F N 4.182 124.076 119.950 -0.094 0.000 2.529 65 F HA 0.505 5.071 4.527 0.066 0.000 0.320 65 F C -1.474 174.263 175.800 -0.104 0.000 1.118 65 F CA -0.922 57.078 58.000 0.001 0.000 0.915 65 F CB 1.241 40.323 39.000 0.137 0.000 1.161 65 F HN 0.214 nan 8.300 nan 0.000 0.445 66 Y N 4.056 123.841 120.300 -0.859 0.000 2.328 66 Y HA 0.258 4.848 4.550 0.067 0.000 0.333 66 Y C -0.134 175.203 175.900 -0.938 0.000 0.958 66 Y CA -0.819 56.910 58.100 -0.619 0.000 1.167 66 Y CB 1.522 39.788 38.460 -0.324 0.000 1.151 66 Y HN 0.566 nan 8.280 nan 0.000 0.470 67 E N 4.043 123.983 120.200 -0.434 0.000 1.932 67 E HA 0.417 4.807 4.350 0.066 0.000 0.275 67 E C -1.523 175.057 176.600 -0.033 0.000 1.159 67 E CA -0.186 56.112 56.400 -0.171 0.000 0.905 67 E CB 0.503 30.337 29.700 0.223 0.000 1.059 67 E HN 0.480 nan 8.360 nan 0.000 0.400 68 V N 3.996 123.879 119.914 -0.053 0.000 3.048 68 V HA 0.208 4.368 4.120 0.066 0.000 0.303 68 V C -1.495 174.606 176.094 0.013 0.000 1.214 68 V CA -0.986 61.315 62.300 0.001 0.000 0.984 68 V CB 2.250 34.071 31.823 -0.003 0.000 1.054 68 V HN 0.697 nan 8.190 nan 0.000 0.430 69 D N 4.078 124.495 120.400 0.028 0.000 2.249 69 D HA 0.298 4.978 4.640 0.066 0.000 0.246 69 D C 1.155 177.477 176.300 0.037 0.000 1.114 69 D CA -0.121 53.899 54.000 0.034 0.000 0.854 69 D CB 1.765 42.582 40.800 0.028 0.000 1.132 69 D HN 0.568 nan 8.370 nan 0.000 0.461 70 L N 2.710 123.965 121.223 0.053 0.000 2.261 70 L HA -0.179 4.201 4.340 0.066 0.000 0.216 70 L C 2.265 179.165 176.870 0.050 0.000 1.114 70 L CA 0.560 55.434 54.840 0.056 0.000 0.777 70 L CB -0.221 41.888 42.059 0.082 0.000 0.910 70 L HN 0.523 nan 8.230 nan 0.000 0.440 71 C N -0.495 118.837 119.300 0.052 0.000 2.472 71 C HA -0.065 4.435 4.460 0.066 0.000 0.278 71 C C 1.258 176.278 174.990 0.049 0.000 1.447 71 C CA -0.226 58.827 59.018 0.057 0.000 1.773 71 C CB -1.076 26.700 27.740 0.060 0.000 1.793 71 C HN 0.406 nan 8.230 nan 0.000 0.544 72 D N 0.582 121.006 120.400 0.040 0.000 2.468 72 D HA 0.079 4.758 4.640 0.066 0.000 0.218 72 D C 1.472 177.795 176.300 0.038 0.000 1.155 72 D CA -0.114 53.909 54.000 0.037 0.000 0.924 72 D CB 0.054 40.874 40.800 0.033 0.000 1.029 72 D HN 0.266 nan 8.370 nan 0.000 0.515 73 R N 2.759 123.283 120.500 0.040 0.000 2.096 73 R HA -0.208 4.172 4.340 0.066 0.000 0.240 73 R C 1.087 177.416 176.300 0.048 0.000 1.139 73 R CA 1.211 57.337 56.100 0.042 0.000 0.952 73 R CB 0.252 30.574 30.300 0.036 0.000 0.854 73 R HN 0.133 nan 8.270 nan 0.000 0.436 74 K N -0.170 120.256 120.400 0.044 0.000 2.026 74 K HA -0.048 4.312 4.320 0.066 0.000 0.208 74 K C 1.981 178.607 176.600 0.043 0.000 1.048 74 K CA 1.617 57.932 56.287 0.046 0.000 0.929 74 K CB -1.085 31.439 32.500 0.039 0.000 0.713 74 K HN 0.438 nan 8.250 nan 0.000 0.439 75 G N 0.970 109.793 108.800 0.038 0.000 2.421 75 G HA2 -0.222 3.778 3.960 0.066 0.000 0.216 75 G HA3 -0.222 3.778 3.960 0.066 0.000 0.216 75 G C 1.498 176.403 174.900 0.008 0.000 1.171 75 G CA 0.737 45.858 45.100 0.035 0.000 0.775 75 G HN 0.265 nan 8.290 nan 0.000 0.543 76 L N 0.694 121.923 121.223 0.009 0.000 2.141 76 L HA 0.122 4.502 4.340 0.066 0.000 0.209 76 L C 2.475 179.360 176.870 0.025 0.000 1.094 76 L CA 2.141 56.974 54.840 -0.012 0.000 0.763 76 L CB -0.537 41.554 42.059 0.055 0.000 0.908 76 L HN 0.416 nan 8.230 nan 0.000 0.437 77 E N -0.458 119.782 120.200 0.067 0.000 2.160 77 E HA -0.272 4.117 4.350 0.066 0.000 0.195 77 E C 2.019 178.621 176.600 0.004 0.000 0.991 77 E CA 1.141 57.591 56.400 0.083 0.000 0.810 77 E CB 0.032 29.790 29.700 0.096 0.000 0.742 77 E HN 0.521 nan 8.360 nan 0.000 0.466 78 K N -0.117 120.270 120.400 -0.023 0.000 2.103 78 K HA -0.159 4.201 4.320 0.066 0.000 0.207 78 K C 2.079 178.599 176.600 -0.134 0.000 1.048 78 K CA 1.387 57.662 56.287 -0.020 0.000 0.930 78 K CB -0.013 32.527 32.500 0.067 0.000 0.716 78 K HN 0.071 nan 8.250 nan 0.000 0.444 79 V N 0.705 120.369 119.914 -0.416 0.000 2.295 79 V HA -0.229 3.930 4.120 0.066 0.000 0.246 79 V C 1.937 177.814 176.094 -0.362 0.000 1.049 79 V CA 1.771 63.682 62.300 -0.648 0.000 1.024 79 V CB -0.564 30.677 31.823 -0.970 0.000 0.648 79 V HN 0.173 nan 8.190 nan 0.000 0.447 80 F N 0.376 120.130 119.950 -0.328 0.000 2.293 80 F HA -0.104 4.462 4.527 0.066 0.000 0.300 80 F C 2.329 177.895 175.800 -0.390 0.000 1.086 80 F CA 1.425 59.143 58.000 -0.469 0.000 1.375 80 F CB -0.381 38.000 39.000 -1.032 0.000 1.045 80 F HN 0.065 nan 8.300 nan 0.000 0.516 81 K N 0.094 120.427 120.400 -0.113 0.000 2.116 81 K HA -0.091 4.269 4.320 0.066 0.000 0.203 81 K C 1.772 178.363 176.600 -0.015 0.000 1.052 81 K CA 1.196 57.484 56.287 0.001 0.000 0.952 81 K CB -0.132 32.395 32.500 0.045 0.000 0.729 81 K HN 0.265 nan 8.250 nan 0.000 0.446 82 E N -0.834 119.335 120.200 -0.053 0.000 2.216 82 E HA -0.048 4.342 4.350 0.066 0.000 0.192 82 E C -0.334 175.944 176.600 -0.536 0.000 0.988 82 E CA 0.795 57.056 56.400 -0.232 0.000 0.834 82 E CB 0.237 29.848 29.700 -0.149 0.000 0.772 82 E HN 0.173 nan 8.360 nan 0.000 0.479 83 Y N -0.451 119.846 120.300 -0.004 0.000 2.553 83 Y HA 0.268 4.858 4.550 0.066 0.000 0.347 83 Y C -0.347 175.560 175.900 0.011 0.000 1.019 83 Y CA -1.252 56.854 58.100 0.011 0.000 1.032 83 Y CB 1.448 39.897 38.460 -0.017 0.000 1.284 83 Y HN -0.343 nan 8.280 nan 0.000 0.466 84 K N 3.264 123.797 120.400 0.221 0.000 2.219 84 K HA 0.327 4.687 4.320 0.066 0.000 0.280 84 K C -1.034 175.670 176.600 0.172 0.000 1.104 84 K CA -0.283 56.111 56.287 0.179 0.000 0.925 84 K CB -0.037 32.553 32.500 0.150 0.000 1.261 84 K HN 0.473 nan 8.250 nan 0.000 0.445 85 I N 3.940 124.606 120.570 0.160 0.000 2.471 85 I HA -0.017 4.193 4.170 0.066 0.000 0.286 85 I C 0.983 177.204 176.117 0.174 0.000 1.079 85 I CA 0.172 61.545 61.300 0.122 0.000 1.398 85 I CB 1.130 39.171 38.000 0.069 0.000 1.403 85 I HN 0.771 nan 8.210 nan 0.000 0.530 86 D N 3.653 124.145 120.400 0.153 0.000 2.338 86 D HA 0.002 4.681 4.640 0.066 0.000 0.208 86 D C 0.329 176.737 176.300 0.180 0.000 0.997 86 D CA 0.492 54.592 54.000 0.166 0.000 0.880 86 D CB 0.664 41.565 40.800 0.168 0.000 0.980 86 D HN 0.630 nan 8.370 nan 0.000 0.509 87 S N -1.462 114.336 115.700 0.164 0.000 2.587 87 S HA 0.613 5.123 4.470 0.066 0.000 0.269 87 S C -1.373 173.302 174.600 0.125 0.000 1.154 87 S CA -0.951 57.349 58.200 0.167 0.000 0.824 87 S CB 1.774 65.050 63.200 0.126 0.000 1.118 87 S HN -0.130 nan 8.310 nan 0.000 0.462 88 V N 1.748 121.743 119.914 0.135 0.000 2.709 88 V HA 0.584 4.744 4.120 0.066 0.000 0.308 88 V C -0.895 175.099 176.094 -0.167 0.000 1.062 88 V CA -0.656 61.670 62.300 0.044 0.000 0.901 88 V CB 1.680 33.630 31.823 0.212 0.000 1.003 88 V HN 0.909 nan 8.190 nan 0.000 0.425 89 I N 3.871 124.333 120.570 -0.179 0.000 2.410 89 I HA 0.372 4.582 4.170 0.066 0.000 0.286 89 I C -0.980 174.945 176.117 -0.320 0.000 1.009 89 I CA -0.580 60.524 61.300 -0.327 0.000 1.111 89 I CB 1.539 39.410 38.000 -0.215 0.000 1.262 89 I HN 0.695 nan 8.210 nan 0.000 0.443 90 H N 6.642 125.345 119.070 -0.612 0.000 2.661 90 H HA 0.373 4.968 4.556 0.066 0.000 0.290 90 H C -0.668 174.504 175.328 -0.261 0.000 1.082 90 H CA -0.693 55.168 56.048 -0.312 0.000 1.234 90 H CB 0.524 30.119 29.762 -0.278 0.000 1.387 90 H HN 0.414 nan 8.280 nan 0.000 0.476 91 F N 2.484 122.382 119.950 -0.087 0.000 2.731 91 F HA 0.378 4.945 4.527 0.067 0.000 0.298 91 F C 1.592 177.315 175.800 -0.128 0.000 1.106 91 F CA 0.370 58.297 58.000 -0.122 0.000 1.329 91 F CB 0.016 38.993 39.000 -0.039 0.000 1.100 91 F HN 0.578 nan 8.300 nan 0.000 0.592 92 A N 0.906 123.792 122.820 0.110 0.000 2.546 92 A HA 0.493 4.853 4.320 0.066 0.000 0.243 92 A C 0.718 178.342 177.584 0.067 0.000 1.063 92 A CA 1.014 53.136 52.037 0.143 0.000 0.757 92 A CB -0.725 18.436 19.000 0.268 0.000 0.991 92 A HN 0.520 nan 8.150 nan 0.000 0.503 93 G N 0.369 109.218 108.800 0.082 0.000 2.328 93 G HA2 0.434 4.434 3.960 0.066 0.000 0.299 93 G HA3 0.434 4.434 3.960 0.066 0.000 0.299 93 G C -1.291 173.620 174.900 0.017 0.000 1.435 93 G CA -1.031 44.105 45.100 0.061 0.000 0.865 93 G HN 0.805 nan 8.290 nan 0.000 0.601 94 L N 0.244 121.415 121.223 -0.086 0.000 2.307 94 L HA 0.604 4.984 4.340 0.066 0.000 0.282 94 L C 1.002 177.888 176.870 0.026 0.000 1.051 94 L CA -0.651 54.042 54.840 -0.245 0.000 0.804 94 L CB 1.793 43.312 42.059 -0.900 0.000 1.197 94 L HN 0.899 nan 8.230 nan 0.000 0.431 95 K N 0.955 121.377 120.400 0.037 0.000 2.562 95 K HA 0.393 4.753 4.320 0.066 0.000 0.201 95 K C -0.031 176.277 176.600 -0.487 0.000 1.131 95 K CA -0.364 55.745 56.287 -0.296 0.000 1.059 95 K CB 0.960 33.369 32.500 -0.151 0.000 0.913 95 K HN 0.426 nan 8.250 nan 0.000 0.563 96 A N 1.622 124.408 122.820 -0.056 0.000 2.437 96 A HA 0.295 4.655 4.320 0.066 0.000 0.303 96 A C 1.288 178.708 177.584 -0.272 0.000 1.324 96 A CA -0.565 51.398 52.037 -0.123 0.000 0.983 96 A CB 0.042 19.058 19.000 0.027 0.000 1.142 96 A HN 0.112 nan 8.150 nan 0.000 0.541 97 V N 3.863 123.580 119.914 -0.328 0.000 2.278 97 V HA -0.313 3.847 4.120 0.066 0.000 0.251 97 V C 2.813 178.782 176.094 -0.208 0.000 1.062 97 V CA 2.789 64.947 62.300 -0.236 0.000 1.038 97 V CB -1.265 30.483 31.823 -0.126 0.000 0.646 97 V HN 0.938 nan 8.190 nan 0.000 0.447 98 G N -0.899 107.802 108.800 -0.165 0.000 2.459 98 G HA2 -0.336 3.663 3.960 0.066 0.000 0.217 98 G HA3 -0.336 3.663 3.960 0.066 0.000 0.217 98 G C 1.550 176.366 174.900 -0.139 0.000 1.183 98 G CA 1.005 46.024 45.100 -0.136 0.000 0.776 98 G HN 0.591 nan 8.290 nan 0.000 0.552 99 E N 0.858 120.978 120.200 -0.134 0.000 2.204 99 E HA -0.154 4.236 4.350 0.066 0.000 0.195 99 E C 2.658 179.106 176.600 -0.254 0.000 0.990 99 E CA 1.356 57.698 56.400 -0.097 0.000 0.821 99 E CB -0.152 29.563 29.700 0.025 0.000 0.750 99 E HN 0.550 nan 8.360 nan 0.000 0.477 100 S N -0.038 115.303 115.700 -0.600 0.000 2.382 100 S HA -0.188 4.321 4.470 0.066 0.000 0.228 100 S C 2.224 176.627 174.600 -0.329 0.000 1.027 100 S CA 1.663 59.303 58.200 -0.934 0.000 0.991 100 S CB -0.978 61.551 63.200 -1.118 0.000 0.823 100 S HN 0.439 nan 8.310 nan 0.000 0.469 101 T N -0.162 114.274 114.554 -0.196 0.000 2.962 101 T HA -0.055 4.335 4.350 0.066 0.000 0.270 101 T C 1.747 176.426 174.700 -0.034 0.000 1.088 101 T CA 1.213 63.269 62.100 -0.075 0.000 1.127 101 T CB -0.472 68.361 68.868 -0.058 0.000 0.883 101 T HN 0.646 nan 8.240 nan 0.000 0.493 102 Q N 0.934 120.708 119.800 -0.044 0.000 2.259 102 Q HA 0.353 4.732 4.340 0.066 0.000 0.201 102 Q C 1.241 177.266 176.000 0.041 0.000 0.938 102 Q CA 0.564 56.368 55.803 0.002 0.000 0.872 102 Q CB 0.148 28.889 28.738 0.004 0.000 0.971 102 Q HN 0.780 nan 8.270 nan 0.000 0.494 103 I N -2.335 118.271 120.570 0.060 0.000 2.954 103 I HA 0.328 4.537 4.170 0.066 0.000 0.312 103 I C -2.222 174.021 176.117 0.211 0.000 1.391 103 I CA -2.114 59.270 61.300 0.141 0.000 0.906 103 I CB 0.779 38.892 38.000 0.188 0.000 2.079 103 I HN -0.171 nan 8.210 nan 0.000 0.618 104 P HA -0.205 nan 4.420 nan 0.000 0.216 104 P C 1.752 179.298 177.300 0.410 0.000 1.153 104 P CA 1.510 64.768 63.100 0.263 0.000 0.858 104 P CB 0.411 32.268 31.700 0.261 0.000 0.789 105 L N -0.838 120.569 121.223 0.306 0.000 2.079 105 L HA -0.156 4.223 4.340 0.066 0.000 0.210 105 L C 3.100 180.173 176.870 0.338 0.000 1.081 105 L CA 1.579 56.599 54.840 0.300 0.000 0.752 105 L CB -0.747 41.425 42.059 0.188 0.000 0.896 105 L HN -0.073 nan 8.230 nan 0.000 0.433 106 R N -1.004 119.671 120.500 0.292 0.000 2.096 106 R HA -0.195 4.185 4.340 0.066 0.000 0.235 106 R C 2.391 178.806 176.300 0.193 0.000 1.127 106 R CA 1.476 57.705 56.100 0.216 0.000 0.968 106 R CB -0.264 30.130 30.300 0.156 0.000 0.861 106 R HN 0.190 nan 8.270 nan 0.000 0.440 107 Y N -0.506 119.878 120.300 0.141 0.000 2.097 107 Y HA -0.279 4.311 4.550 0.067 0.000 0.282 107 Y C 2.033 177.988 175.900 0.092 0.000 1.152 107 Y CA 2.047 60.197 58.100 0.083 0.000 1.136 107 Y CB -0.694 37.772 38.460 0.009 0.000 0.975 107 Y HN 0.103 nan 8.280 nan 0.000 0.498 108 Y N -1.767 118.697 120.300 0.273 0.000 2.181 108 Y HA -0.292 4.297 4.550 0.065 0.000 0.288 108 Y C 2.715 178.717 175.900 0.169 0.000 1.146 108 Y CA 1.988 60.196 58.100 0.179 0.000 1.164 108 Y CB -0.730 37.803 38.460 0.122 0.000 0.982 108 Y HN 0.270 nan 8.280 nan 0.000 0.515 109 H N -0.566 118.643 119.070 0.232 0.000 2.293 109 H HA -0.194 4.402 4.556 0.066 0.000 0.300 109 H C 2.236 177.615 175.328 0.086 0.000 1.082 109 H CA 1.505 57.631 56.048 0.130 0.000 1.308 109 H CB -0.060 29.765 29.762 0.104 0.000 1.375 109 H HN 0.310 nan 8.280 nan 0.000 0.495 110 N N -0.042 118.784 118.700 0.211 0.000 2.058 110 N HA -0.174 4.606 4.740 0.066 0.000 0.191 110 N C 1.625 177.199 175.510 0.106 0.000 1.037 110 N CA 1.907 55.003 53.050 0.077 0.000 0.848 110 N CB -0.054 38.405 38.487 -0.046 0.000 1.021 110 N HN 0.298 nan 8.380 nan 0.000 0.422 111 N N 0.186 118.943 118.700 0.094 0.000 2.106 111 N HA -0.068 4.711 4.740 0.066 0.000 0.188 111 N C 1.747 177.337 175.510 0.134 0.000 1.029 111 N CA 1.091 54.212 53.050 0.119 0.000 0.848 111 N CB -0.288 38.263 38.487 0.105 0.000 1.007 111 N HN 0.405 nan 8.380 nan 0.000 0.423 112 I N 0.163 120.810 120.570 0.128 0.000 2.277 112 I HA -0.153 4.057 4.170 0.066 0.000 0.243 112 I C 2.143 178.294 176.117 0.056 0.000 1.094 112 I CA 0.451 61.798 61.300 0.079 0.000 1.393 112 I CB -0.170 37.886 38.000 0.093 0.000 1.078 112 I HN 0.033 nan 8.210 nan 0.000 0.417 113 L N 1.308 122.593 121.223 0.105 0.000 2.083 113 L HA -0.080 4.300 4.340 0.066 0.000 0.209 113 L C 2.304 179.215 176.870 0.067 0.000 1.083 113 L CA 2.154 57.048 54.840 0.090 0.000 0.752 113 L CB -1.095 41.066 42.059 0.168 0.000 0.899 113 L HN 0.189 nan 8.230 nan 0.000 0.433 114 G N -1.754 107.103 108.800 0.096 0.000 2.440 114 G HA2 -0.265 3.734 3.960 0.066 0.000 0.218 114 G HA3 -0.265 3.734 3.960 0.066 0.000 0.218 114 G C 1.426 176.334 174.900 0.015 0.000 1.154 114 G CA 1.251 46.401 45.100 0.084 0.000 0.767 114 G HN 0.447 nan 8.290 nan 0.000 0.552 115 T N 0.721 115.285 114.554 0.018 0.000 2.737 115 T HA -0.081 4.308 4.350 0.066 0.000 0.265 115 T C 2.531 177.109 174.700 -0.204 0.000 1.038 115 T CA 1.140 63.165 62.100 -0.125 0.000 1.144 115 T CB -0.282 68.542 68.868 -0.074 0.000 0.866 115 T HN 0.053 nan 8.240 nan 0.000 0.434 116 V N 1.355 121.184 119.914 -0.142 0.000 2.295 116 V HA -0.155 4.005 4.120 0.066 0.000 0.246 116 V C 2.700 178.720 176.094 -0.123 0.000 1.049 116 V CA 1.324 63.529 62.300 -0.157 0.000 1.024 116 V CB -0.709 31.050 31.823 -0.106 0.000 0.648 116 V HN 0.307 nan 8.190 nan 0.000 0.447 117 V N -0.129 119.745 119.914 -0.067 0.000 2.287 117 V HA -0.271 3.889 4.120 0.066 0.000 0.248 117 V C 2.400 178.465 176.094 -0.048 0.000 1.053 117 V CA 2.265 64.542 62.300 -0.038 0.000 1.027 117 V CB -0.682 31.143 31.823 0.002 0.000 0.646 117 V HN 0.548 nan 8.190 nan 0.000 0.447 118 L N -0.238 120.949 121.223 -0.059 0.000 2.017 118 L HA -0.152 4.228 4.340 0.066 0.000 0.208 118 L C 2.196 179.021 176.870 -0.075 0.000 1.073 118 L CA 1.924 56.753 54.840 -0.019 0.000 0.745 118 L CB -0.583 41.432 42.059 -0.073 0.000 0.894 118 L HN 0.213 nan 8.230 nan 0.000 0.432 119 L N -0.676 120.427 121.223 -0.199 0.000 2.083 119 L HA -0.189 4.191 4.340 0.066 0.000 0.209 119 L C 2.517 179.332 176.870 -0.092 0.000 1.083 119 L CA 1.428 56.116 54.840 -0.254 0.000 0.752 119 L CB -0.628 41.131 42.059 -0.501 0.000 0.899 119 L HN 0.348 nan 8.230 nan 0.000 0.433 120 E N 0.106 120.251 120.200 -0.091 0.000 2.110 120 E HA -0.204 4.186 4.350 0.066 0.000 0.193 120 E C 2.331 178.911 176.600 -0.034 0.000 0.988 120 E CA 0.990 57.367 56.400 -0.037 0.000 0.804 120 E CB -0.090 29.584 29.700 -0.043 0.000 0.745 120 E HN 0.457 nan 8.360 nan 0.000 0.458 121 L N 0.076 121.237 121.223 -0.103 0.000 2.109 121 L HA -0.144 4.236 4.340 0.066 0.000 0.207 121 L C 2.473 179.148 176.870 -0.326 0.000 1.086 121 L CA 0.858 55.572 54.840 -0.210 0.000 0.760 121 L CB -0.211 41.599 42.059 -0.416 0.000 0.910 121 L HN 0.208 nan 8.230 nan 0.000 0.437 122 M N -0.906 118.523 119.600 -0.286 0.000 2.117 122 M HA -0.265 4.254 4.480 0.066 0.000 0.262 122 M C 2.368 178.724 176.300 0.092 0.000 1.065 122 M CA 1.708 56.964 55.300 -0.073 0.000 1.114 122 M CB -0.399 32.357 32.600 0.259 0.000 1.361 122 M HN 0.261 nan 8.290 nan 0.000 0.408 123 Q N 0.567 120.506 119.800 0.231 0.000 2.061 123 Q HA -0.292 4.088 4.340 0.066 0.000 0.204 123 Q C 2.070 178.054 176.000 -0.027 0.000 0.984 123 Q CA 1.986 57.905 55.803 0.194 0.000 0.846 123 Q CB -0.153 28.778 28.738 0.322 0.000 0.902 123 Q HN 0.552 nan 8.270 nan 0.000 0.421 124 Q N -0.952 118.814 119.800 -0.056 0.000 2.124 124 Q HA -0.183 4.197 4.340 0.066 0.000 0.202 124 Q C 0.822 176.584 176.000 -0.398 0.000 0.977 124 Q CA 1.425 57.103 55.803 -0.207 0.000 0.850 124 Q CB 0.062 28.679 28.738 -0.202 0.000 0.901 124 Q HN 0.528 nan 8.270 nan 0.000 0.429 125 Y N 0.348 120.553 120.300 -0.158 0.000 2.468 125 Y HA 0.171 4.761 4.550 0.066 0.000 0.268 125 Y C 0.005 175.873 175.900 -0.053 0.000 1.177 125 Y CA -0.099 57.943 58.100 -0.096 0.000 1.265 125 Y CB 0.547 38.943 38.460 -0.107 0.000 1.103 125 Y HN 0.145 nan 8.280 nan 0.000 0.522 126 N N -0.186 118.499 118.700 -0.025 0.000 2.754 126 N HA -0.155 4.625 4.740 0.066 0.000 0.248 126 N C -1.101 174.398 175.510 -0.018 0.000 1.093 126 N CA 0.603 53.603 53.050 -0.082 0.000 0.699 126 N CB -1.564 36.877 38.487 -0.076 0.000 1.016 126 N HN 0.017 nan 8.380 nan 0.000 0.552 127 V N 1.142 121.092 119.914 0.060 0.000 2.407 127 V HA 0.282 4.442 4.120 0.066 0.000 0.278 127 V C 1.471 177.639 176.094 0.123 0.000 1.037 127 V CA 0.332 62.732 62.300 0.167 0.000 0.900 127 V CB 1.753 33.781 31.823 0.341 0.000 0.983 127 V HN 0.453 nan 8.190 nan 0.000 0.459 128 S N 3.371 119.128 115.700 0.095 0.000 2.506 128 S HA 0.233 4.743 4.470 0.066 0.000 0.219 128 S C 0.601 175.439 174.600 0.396 0.000 1.031 128 S CA -0.254 58.011 58.200 0.108 0.000 0.911 128 S CB 0.062 63.185 63.200 -0.127 0.000 0.812 128 S HN 0.628 nan 8.310 nan 0.000 0.497 129 K N 1.152 121.766 120.400 0.358 0.000 2.276 129 K HA 0.473 4.833 4.320 0.066 0.000 0.285 129 K C -1.723 175.191 176.600 0.522 0.000 1.062 129 K CA -0.297 56.224 56.287 0.391 0.000 0.918 129 K CB 0.765 33.417 32.500 0.254 0.000 1.055 129 K HN 0.308 nan 8.250 nan 0.000 0.477 130 F N 2.679 122.880 119.950 0.418 0.000 2.561 130 F HA 0.317 4.883 4.527 0.065 0.000 0.313 130 F C -1.165 174.764 175.800 0.215 0.000 1.126 130 F CA -0.871 57.307 58.000 0.296 0.000 0.918 130 F CB 1.402 40.545 39.000 0.239 0.000 1.199 130 F HN 0.109 nan 8.300 nan 0.000 0.444 131 V N 6.759 126.536 119.914 -0.229 0.000 2.409 131 V HA 0.370 4.530 4.120 0.066 0.000 0.291 131 V C -1.008 174.881 176.094 -0.342 0.000 1.020 131 V CA -0.756 61.450 62.300 -0.158 0.000 0.848 131 V CB 1.404 33.145 31.823 -0.136 0.000 0.990 131 V HN 0.573 nan 8.190 nan 0.000 0.430 132 F N 3.456 123.228 119.950 -0.298 0.000 2.469 132 F HA 0.532 5.098 4.527 0.065 0.000 0.332 132 F C 0.719 176.321 175.800 -0.330 0.000 1.103 132 F CA -0.768 57.052 58.000 -0.300 0.000 0.979 132 F CB 2.028 41.005 39.000 -0.038 0.000 1.137 132 F HN 0.410 nan 8.300 nan 0.000 0.463 133 S N 4.358 119.401 115.700 -1.095 0.000 3.065 133 S HA 0.155 4.665 4.470 0.066 0.000 0.311 133 S C 0.318 173.820 174.600 -1.831 0.000 1.204 133 S CA -0.162 57.267 58.200 -1.286 0.000 1.040 133 S CB -0.136 62.647 63.200 -0.695 0.000 1.436 133 S HN 0.674 nan 8.310 nan 0.000 0.532 134 S N 2.066 116.867 115.700 -1.499 0.000 2.666 134 S HA 0.731 5.241 4.470 0.066 0.000 0.279 134 S C 0.093 174.208 174.600 -0.807 0.000 1.149 134 S CA -0.531 57.053 58.200 -1.028 0.000 1.020 134 S CB 1.231 64.119 63.200 -0.520 0.000 1.127 134 S HN 0.585 nan 8.310 nan 0.000 0.537 135 S N -0.985 114.399 115.700 -0.527 0.000 2.541 135 S HA 0.611 5.121 4.470 0.066 0.000 0.271 135 S C 0.341 174.676 174.600 -0.443 0.000 1.133 135 S CA -0.030 57.929 58.200 -0.402 0.000 0.876 135 S CB 1.060 64.093 63.200 -0.279 0.000 1.105 135 S HN 1.003 nan 8.310 nan 0.000 0.470 136 A N 2.479 124.981 122.820 -0.529 0.000 2.178 136 A HA 0.039 4.399 4.320 0.066 0.000 0.218 136 A C 1.997 179.384 177.584 -0.329 0.000 1.157 136 A CA 2.126 53.785 52.037 -0.631 0.000 0.689 136 A CB -1.227 17.029 19.000 -1.241 0.000 0.787 136 A HN 0.914 nan 8.150 nan 0.000 0.465 137 T N -0.175 114.217 114.554 -0.269 0.000 2.929 137 T HA -0.121 4.269 4.350 0.066 0.000 0.271 137 T C 1.824 176.367 174.700 -0.263 0.000 1.085 137 T CA 1.864 63.852 62.100 -0.186 0.000 1.125 137 T CB -0.791 68.013 68.868 -0.107 0.000 0.874 137 T HN 0.692 nan 8.240 nan 0.000 0.494 138 V N -1.367 118.313 119.914 -0.390 0.000 2.594 138 V HA -0.116 4.044 4.120 0.066 0.000 0.253 138 V C 1.928 177.793 176.094 -0.381 0.000 1.069 138 V CA 1.386 63.432 62.300 -0.423 0.000 1.082 138 V CB -1.442 30.109 31.823 -0.454 0.000 0.680 138 V HN 0.627 nan 8.190 nan 0.000 0.469 139 Y N 2.040 122.247 120.300 -0.155 0.000 2.373 139 Y HA 0.366 4.954 4.550 0.064 0.000 0.293 139 Y C 2.159 178.014 175.900 -0.075 0.000 1.129 139 Y CA 0.811 58.861 58.100 -0.084 0.000 1.226 139 Y CB -0.404 38.041 38.460 -0.025 0.000 1.000 139 Y HN 0.591 nan 8.280 nan 0.000 0.549 140 G N 0.457 109.268 108.800 0.019 0.000 2.527 140 G HA2 -0.340 3.660 3.960 0.066 0.000 0.268 140 G HA3 -0.340 3.660 3.960 0.066 0.000 0.268 140 G C -0.906 174.003 174.900 0.015 0.000 1.175 140 G CA 0.022 45.106 45.100 -0.027 0.000 0.962 140 G HN 0.258 nan 8.290 nan 0.000 0.560 141 D N 1.560 121.948 120.400 -0.021 0.000 2.396 141 D HA 0.658 5.338 4.640 0.066 0.000 0.225 141 D C 1.211 177.489 176.300 -0.038 0.000 1.121 141 D CA 0.700 54.682 54.000 -0.030 0.000 0.853 141 D CB 0.822 41.582 40.800 -0.067 0.000 1.043 141 D HN 0.883 nan 8.370 nan 0.000 0.500 142 A N 2.745 125.585 122.820 0.032 0.000 2.119 142 A HA -0.095 4.264 4.320 0.066 0.000 0.217 142 A C 1.941 179.558 177.584 0.056 0.000 1.153 142 A CA 1.454 53.553 52.037 0.103 0.000 0.692 142 A CB -0.556 18.497 19.000 0.089 0.000 0.799 142 A HN 0.627 nan 8.150 nan 0.000 0.458 143 T N -0.911 113.635 114.554 -0.015 0.000 3.098 143 T HA -0.153 4.237 4.350 0.066 0.000 0.266 143 T C 1.684 176.321 174.700 -0.104 0.000 1.145 143 T CA 1.028 63.111 62.100 -0.028 0.000 1.092 143 T CB -0.578 68.277 68.868 -0.021 0.000 0.908 143 T HN 0.727 nan 8.240 nan 0.000 0.526 144 R N 0.026 120.371 120.500 -0.258 0.000 2.285 144 R HA 0.159 4.539 4.340 0.066 0.000 0.213 144 R C -0.310 175.670 176.300 -0.534 0.000 1.068 144 R CA 0.363 56.202 56.100 -0.436 0.000 1.004 144 R CB -0.427 29.502 30.300 -0.618 0.000 0.873 144 R HN 0.458 nan 8.270 nan 0.000 0.467 145 F N 1.282 121.228 119.950 -0.008 0.000 2.538 145 F HA 0.567 5.096 4.527 0.004 0.000 0.325 145 F C -2.117 173.676 175.800 -0.011 0.000 1.066 145 F CA -3.297 54.697 58.000 -0.009 0.000 0.946 145 F CB 1.622 40.614 39.000 -0.013 0.000 1.199 145 F HN -0.142 nan 8.300 nan 0.000 0.473 146 P HA 0.251 nan 4.420 nan 0.000 0.282 146 P C -1.059 176.292 177.300 0.085 0.000 1.259 146 P CA -0.544 62.615 63.100 0.099 0.000 0.826 146 P CB 0.715 32.456 31.700 0.070 0.000 1.064 147 N N -0.893 117.837 118.700 0.050 0.000 2.710 147 N HA -0.209 4.570 4.740 0.066 0.000 0.249 147 N C 0.318 175.841 175.510 0.022 0.000 1.059 147 N CA 0.227 53.293 53.050 0.027 0.000 0.720 147 N CB -1.092 37.405 38.487 0.016 0.000 0.983 147 N HN 0.322 nan 8.380 nan 0.000 0.544 148 M N 0.178 119.804 119.600 0.044 0.000 2.404 148 M HA 0.320 4.840 4.480 0.066 0.000 0.271 148 M C -0.834 175.463 176.300 -0.005 0.000 1.128 148 M CA -0.027 55.290 55.300 0.029 0.000 0.982 148 M CB 0.565 33.244 32.600 0.132 0.000 1.445 148 M HN 0.136 nan 8.290 nan 0.000 0.495 149 I N 2.086 122.656 120.570 -0.001 0.000 2.418 149 I HA 0.381 4.591 4.170 0.066 0.000 0.287 149 I C -2.107 173.998 176.117 -0.019 0.000 1.008 149 I CA -1.700 59.593 61.300 -0.011 0.000 1.104 149 I CB 1.393 39.396 38.000 0.005 0.000 1.264 149 I HN 0.033 nan 8.210 nan 0.000 0.438 150 P HA 0.291 nan 4.420 nan 0.000 0.271 150 P C -0.226 177.027 177.300 -0.079 0.000 1.218 150 P CA -0.241 62.824 63.100 -0.058 0.000 0.780 150 P CB 0.911 32.565 31.700 -0.078 0.000 0.901 151 I N 4.554 125.063 120.570 -0.102 0.000 2.505 151 I HA 0.099 4.309 4.170 0.066 0.000 0.287 151 I C -1.790 174.199 176.117 -0.213 0.000 1.104 151 I CA -1.648 59.525 61.300 -0.212 0.000 1.387 151 I CB 0.126 37.918 38.000 -0.347 0.000 1.404 151 I HN 0.201 nan 8.210 nan 0.000 0.528 152 P HA 0.221 nan 4.420 nan 0.000 0.282 152 P C 0.001 177.265 177.300 -0.060 0.000 1.259 152 P CA -0.453 62.593 63.100 -0.090 0.000 0.826 152 P CB 1.191 32.851 31.700 -0.068 0.000 1.064 153 E N 0.557 120.802 120.200 0.074 0.000 2.209 153 E HA -0.209 4.181 4.350 0.066 0.000 0.196 153 E C 1.221 177.915 176.600 0.157 0.000 0.993 153 E CA 1.647 58.157 56.400 0.182 0.000 0.819 153 E CB -0.400 29.333 29.700 0.055 0.000 0.745 153 E HN 0.540 nan 8.360 nan 0.000 0.477 154 E N -0.474 119.753 120.200 0.044 0.000 2.482 154 E HA -0.002 4.388 4.350 0.066 0.000 0.196 154 E C 0.128 176.709 176.600 -0.031 0.000 1.047 154 E CA -0.010 56.391 56.400 0.001 0.000 0.869 154 E CB -0.095 29.582 29.700 -0.038 0.000 0.836 154 E HN 0.170 nan 8.360 nan 0.000 0.520 155 C N 2.722 122.006 119.300 -0.026 0.000 2.596 155 C HA 0.099 4.598 4.460 0.066 0.000 0.414 155 C C -2.129 172.888 174.990 0.045 0.000 1.396 155 C CA -1.875 57.090 59.018 -0.089 0.000 1.698 155 C CB -0.046 27.594 27.740 -0.167 0.000 2.572 155 C HN 0.136 nan 8.230 nan 0.000 0.604 156 P HA 0.194 nan 4.420 nan 0.000 0.268 156 P C -0.604 176.780 177.300 0.141 0.000 1.204 156 P CA 0.375 63.472 63.100 -0.005 0.000 0.768 156 P CB 0.221 31.880 31.700 -0.069 0.000 0.842 157 L N 2.173 123.399 121.223 0.004 0.000 2.397 157 L HA 0.581 4.961 4.340 0.066 0.000 0.271 157 L C 1.222 177.922 176.870 -0.284 0.000 1.148 157 L CA 0.142 54.862 54.840 -0.199 0.000 0.825 157 L CB 0.374 42.175 42.059 -0.429 0.000 1.117 157 L HN 0.581 nan 8.230 nan 0.000 0.456 158 G N 2.735 111.359 108.800 -0.293 0.000 4.377 158 G HA2 0.266 4.266 3.960 0.066 0.000 0.251 158 G HA3 0.266 4.266 3.960 0.066 0.000 0.251 158 G C -2.893 171.872 174.900 -0.225 0.000 2.912 158 G CA -0.422 44.542 45.100 -0.226 0.000 0.606 158 G HN 0.295 nan 8.290 nan 0.000 0.282 159 P HA 0.181 nan 4.420 nan 0.000 0.268 159 P C 0.936 178.016 177.300 -0.367 0.000 1.208 159 P CA 0.294 63.148 63.100 -0.409 0.000 0.777 159 P CB 1.112 32.442 31.700 -0.617 0.000 0.875 160 T N -2.407 111.998 114.554 -0.249 0.000 3.132 160 T HA 0.252 4.642 4.350 0.066 0.000 0.274 160 T C 0.111 174.768 174.700 -0.072 0.000 1.011 160 T CA -0.401 61.632 62.100 -0.112 0.000 0.899 160 T CB -0.941 67.890 68.868 -0.063 0.000 1.089 160 T HN 0.581 nan 8.240 nan 0.000 0.543 161 N N -0.748 117.866 118.700 -0.142 0.000 2.610 161 N HA 0.538 5.318 4.740 0.066 0.000 0.264 161 N C -2.868 172.654 175.510 0.019 0.000 1.348 161 N CA -2.011 51.027 53.050 -0.021 0.000 0.819 161 N CB 1.148 39.619 38.487 -0.026 0.000 1.521 161 N HN -0.321 nan 8.380 nan 0.000 0.497 162 P HA -0.153 nan 4.420 nan 0.000 0.216 162 P C 0.861 178.112 177.300 -0.083 0.000 1.150 162 P CA 1.059 64.205 63.100 0.077 0.000 0.837 162 P CB -0.092 31.629 31.700 0.036 0.000 0.786 163 Y N 0.752 120.933 120.300 -0.198 0.000 2.128 163 Y HA -0.180 4.411 4.550 0.067 0.000 0.284 163 Y C 2.454 178.303 175.900 -0.085 0.000 1.154 163 Y CA 2.131 60.168 58.100 -0.105 0.000 1.149 163 Y CB -1.107 37.284 38.460 -0.114 0.000 0.976 163 Y HN -0.111 nan 8.280 nan 0.000 0.505 164 G N -0.401 108.189 108.800 -0.350 0.000 2.442 164 G HA2 -0.291 3.709 3.960 0.066 0.000 0.219 164 G HA3 -0.291 3.709 3.960 0.066 0.000 0.219 164 G C 1.383 176.095 174.900 -0.314 0.000 1.141 164 G CA 1.184 46.015 45.100 -0.448 0.000 0.763 164 G HN 0.494 nan 8.290 nan 0.000 0.554 165 H N 0.831 119.841 119.070 -0.099 0.000 2.352 165 H HA -0.124 4.471 4.556 0.065 0.000 0.299 165 H C 3.026 178.341 175.328 -0.022 0.000 1.097 165 H CA 2.000 58.071 56.048 0.038 0.000 1.311 165 H CB -0.703 29.125 29.762 0.110 0.000 1.377 165 H HN 0.532 nan 8.280 nan 0.000 0.504 166 T N -0.717 113.772 114.554 -0.109 0.000 2.821 166 T HA -0.083 4.307 4.350 0.066 0.000 0.267 166 T C 1.938 176.614 174.700 -0.040 0.000 1.046 166 T CA 0.818 62.854 62.100 -0.106 0.000 1.139 166 T CB 0.152 68.932 68.868 -0.146 0.000 0.871 166 T HN 0.076 nan 8.240 nan 0.000 0.454 167 K N 0.294 120.615 120.400 -0.133 0.000 2.057 167 K HA -0.026 4.334 4.320 0.066 0.000 0.206 167 K C 2.058 178.695 176.600 0.062 0.000 1.050 167 K CA 1.205 57.471 56.287 -0.035 0.000 0.935 167 K CB -0.838 31.496 32.500 -0.277 0.000 0.715 167 K HN 0.523 nan 8.250 nan 0.000 0.439 168 Y N 1.813 122.046 120.300 -0.113 0.000 2.165 168 Y HA -0.207 4.385 4.550 0.069 0.000 0.286 168 Y C 2.164 178.046 175.900 -0.031 0.000 1.155 168 Y CA 1.249 59.306 58.100 -0.072 0.000 1.164 168 Y CB -0.688 37.739 38.460 -0.054 0.000 0.978 168 Y HN 0.058 nan 8.280 nan 0.000 0.513 169 A N 0.381 123.127 122.820 -0.124 0.000 1.902 169 A HA -0.179 4.180 4.320 0.066 0.000 0.217 169 A C 2.396 179.854 177.584 -0.210 0.000 1.181 169 A CA 2.048 53.961 52.037 -0.207 0.000 0.623 169 A CB -1.182 17.792 19.000 -0.043 0.000 0.818 169 A HN 0.542 nan 8.150 nan 0.000 0.443 170 I N -0.505 119.965 120.570 -0.167 0.000 2.286 170 I HA -0.241 3.969 4.170 0.066 0.000 0.248 170 I C 2.489 178.388 176.117 -0.363 0.000 1.115 170 I CA 1.370 62.477 61.300 -0.322 0.000 1.392 170 I CB -0.377 37.354 38.000 -0.449 0.000 1.065 170 I HN 0.420 nan 8.210 nan 0.000 0.418 171 E N 0.733 120.827 120.200 -0.176 0.000 2.118 171 E HA -0.217 4.173 4.350 0.066 0.000 0.195 171 E C 1.817 178.318 176.600 -0.164 0.000 0.992 171 E CA 1.074 57.405 56.400 -0.115 0.000 0.804 171 E CB -0.130 29.579 29.700 0.016 0.000 0.741 171 E HN 0.509 nan 8.360 nan 0.000 0.458 172 N N 0.745 119.316 118.700 -0.214 0.000 2.216 172 N HA -0.081 4.699 4.740 0.066 0.000 0.183 172 N C 1.964 177.356 175.510 -0.196 0.000 1.017 172 N CA 0.668 53.596 53.050 -0.203 0.000 0.861 172 N CB -0.149 38.169 38.487 -0.282 0.000 0.986 172 N HN 0.183 nan 8.380 nan 0.000 0.428 173 I N 1.168 121.590 120.570 -0.247 0.000 2.208 173 I HA -0.263 3.947 4.170 0.066 0.000 0.245 173 I C 2.034 177.975 176.117 -0.294 0.000 1.097 173 I CA 0.911 62.051 61.300 -0.265 0.000 1.363 173 I CB -0.183 37.626 38.000 -0.319 0.000 1.051 173 I HN 0.064 nan 8.210 nan 0.000 0.413 174 L N 0.111 121.119 121.223 -0.359 0.000 2.017 174 L HA -0.233 4.147 4.340 0.066 0.000 0.208 174 L C 2.356 179.230 176.870 0.007 0.000 1.073 174 L CA 1.407 56.017 54.840 -0.383 0.000 0.745 174 L CB -0.789 40.936 42.059 -0.556 0.000 0.894 174 L HN 0.328 nan 8.230 nan 0.000 0.432 175 N N -0.079 118.619 118.700 -0.003 0.000 2.120 175 N HA -0.181 4.598 4.740 0.066 0.000 0.188 175 N C 1.408 176.980 175.510 0.104 0.000 1.024 175 N CA 1.542 54.654 53.050 0.105 0.000 0.852 175 N CB -0.198 38.310 38.487 0.037 0.000 1.003 175 N HN 0.335 nan 8.380 nan 0.000 0.424 176 D N 1.080 121.473 120.400 -0.011 0.000 2.117 176 D HA -0.116 4.563 4.640 0.066 0.000 0.197 176 D C 2.030 178.298 176.300 -0.052 0.000 0.987 176 D CA 0.409 54.385 54.000 -0.040 0.000 0.829 176 D CB -0.322 40.425 40.800 -0.088 0.000 0.961 176 D HN 0.127 nan 8.370 nan 0.000 0.460 177 L N 0.142 121.308 121.223 -0.095 0.000 2.046 177 L HA -0.165 4.214 4.340 0.066 0.000 0.208 177 L C 2.245 179.033 176.870 -0.138 0.000 1.077 177 L CA 1.517 56.244 54.840 -0.189 0.000 0.747 177 L CB -1.020 40.786 42.059 -0.423 0.000 0.896 177 L HN 0.089 nan 8.230 nan 0.000 0.432 178 Y N 0.269 120.500 120.300 -0.114 0.000 2.145 178 Y HA -0.239 4.350 4.550 0.065 0.000 0.286 178 Y C 2.357 178.273 175.900 0.026 0.000 1.145 178 Y CA 2.074 60.129 58.100 -0.074 0.000 1.148 178 Y CB -0.681 37.725 38.460 -0.090 0.000 0.981 178 Y HN 0.305 nan 8.280 nan 0.000 0.507 179 N N 0.250 118.814 118.700 -0.226 0.000 2.348 179 N HA -0.172 4.608 4.740 0.066 0.000 0.185 179 N C 1.946 177.320 175.510 -0.227 0.000 1.019 179 N CA 1.528 54.379 53.050 -0.332 0.000 0.880 179 N CB -0.415 38.015 38.487 -0.096 0.000 0.965 179 N HN 0.609 nan 8.380 nan 0.000 0.437 180 S N -0.876 114.753 115.700 -0.118 0.000 2.527 180 S HA -0.028 4.482 4.470 0.066 0.000 0.222 180 S C 0.368 174.959 174.600 -0.016 0.000 0.985 180 S CA 0.407 58.575 58.200 -0.053 0.000 0.921 180 S CB 0.409 63.600 63.200 -0.015 0.000 0.772 180 S HN 0.101 nan 8.310 nan 0.000 0.529 181 D N 0.125 120.520 120.400 -0.008 0.000 3.595 181 D HA 0.201 4.881 4.640 0.066 0.000 0.253 181 D C 0.389 176.679 176.300 -0.017 0.000 1.395 181 D CA -0.246 53.767 54.000 0.021 0.000 0.820 181 D CB -0.231 40.652 40.800 0.139 0.000 1.431 181 D HN 0.086 nan 8.370 nan 0.000 0.690 182 K N -0.046 120.218 120.400 -0.228 0.000 2.242 182 K HA -0.185 4.175 4.320 0.066 0.000 0.206 182 K C 1.268 177.848 176.600 -0.033 0.000 1.045 182 K CA 1.232 57.296 56.287 -0.372 0.000 0.930 182 K CB 0.242 32.456 32.500 -0.477 0.000 0.726 182 K HN 0.236 nan 8.250 nan 0.000 0.462 183 K N -0.404 119.968 120.400 -0.048 0.000 2.393 183 K HA 0.083 4.443 4.320 0.066 0.000 0.193 183 K C 0.977 177.517 176.600 -0.101 0.000 1.026 183 K CA 0.369 56.640 56.287 -0.027 0.000 1.064 183 K CB 0.705 33.184 32.500 -0.036 0.000 0.833 183 K HN -0.069 nan 8.250 nan 0.000 0.521 184 S N -0.129 115.437 115.700 -0.224 0.000 2.578 184 S HA 0.162 4.671 4.470 0.066 0.000 0.231 184 S C -0.775 173.371 174.600 -0.756 0.000 0.994 184 S CA -0.454 57.434 58.200 -0.521 0.000 0.956 184 S CB 0.131 62.842 63.200 -0.816 0.000 0.870 184 S HN 0.251 nan 8.310 nan 0.000 0.494 185 W N 1.317 122.517 121.300 -0.167 0.000 3.129 185 W HA 0.492 5.192 4.660 0.067 0.000 0.333 185 W C -0.667 175.574 176.519 -0.464 0.000 1.141 185 W CA -0.814 56.274 57.345 -0.427 0.000 1.224 185 W CB 1.272 30.219 29.460 -0.855 0.000 1.393 185 W HN -0.314 nan 8.180 nan 0.000 0.499 186 K N 3.317 123.646 120.400 -0.119 0.000 2.572 186 K HA 0.434 4.794 4.320 0.066 0.000 0.244 186 K C -1.543 175.190 176.600 0.222 0.000 0.965 186 K CA -0.713 55.546 56.287 -0.046 0.000 0.943 186 K CB 1.243 33.774 32.500 0.052 0.000 1.154 186 K HN 0.135 nan 8.250 nan 0.000 0.447 187 F N 1.278 121.303 119.950 0.125 0.000 2.482 187 F HA 0.531 5.097 4.527 0.065 0.000 0.331 187 F C 0.226 176.115 175.800 0.150 0.000 1.115 187 F CA -1.713 56.386 58.000 0.166 0.000 0.955 187 F CB 1.893 40.941 39.000 0.079 0.000 1.136 187 F HN 0.412 nan 8.300 nan 0.000 0.452 188 A N 5.026 128.096 122.820 0.416 0.000 2.291 188 A HA 0.765 5.125 4.320 0.066 0.000 0.311 188 A C -0.687 177.056 177.584 0.265 0.000 1.224 188 A CA -0.499 51.771 52.037 0.388 0.000 0.821 188 A CB 0.232 19.411 19.000 0.298 0.000 1.172 188 A HN 0.694 nan 8.150 nan 0.000 0.494 189 I N 3.455 124.149 120.570 0.207 0.000 2.321 189 I HA 0.274 4.484 4.170 0.066 0.000 0.291 189 I C -0.714 175.444 176.117 0.068 0.000 0.998 189 I CA -0.181 61.194 61.300 0.126 0.000 1.227 189 I CB 1.238 39.287 38.000 0.081 0.000 1.368 189 I HN 0.495 nan 8.210 nan 0.000 0.466 190 L N 7.260 128.438 121.223 -0.075 0.000 2.298 190 L HA 0.502 4.881 4.340 0.066 0.000 0.284 190 L C -0.041 176.681 176.870 -0.247 0.000 1.013 190 L CA -0.673 54.121 54.840 -0.076 0.000 0.824 190 L CB 1.101 43.113 42.059 -0.078 0.000 1.221 190 L HN 0.508 nan 8.230 nan 0.000 0.418 191 R N 3.202 123.669 120.500 -0.056 0.000 2.296 191 R HA 0.315 4.695 4.340 0.066 0.000 0.327 191 R C -1.063 175.322 176.300 0.141 0.000 1.137 191 R CA -0.595 55.438 56.100 -0.111 0.000 1.020 191 R CB 0.180 30.444 30.300 -0.061 0.000 1.110 191 R HN 0.317 nan 8.270 nan 0.000 0.499 192 Y N 2.215 122.495 120.300 -0.034 0.000 2.336 192 Y HA 0.111 4.701 4.550 0.067 0.000 0.331 192 Y C 0.979 176.889 175.900 0.016 0.000 1.211 192 Y CA -0.908 57.244 58.100 0.087 0.000 1.346 192 Y CB 0.044 38.534 38.460 0.051 0.000 1.271 192 Y HN 0.335 nan 8.280 nan 0.000 0.538 193 F N 0.334 120.425 119.950 0.234 0.000 2.562 193 F HA 0.232 4.797 4.527 0.063 0.000 0.202 193 F C 0.476 176.346 175.800 0.118 0.000 1.177 193 F CA -0.237 57.847 58.000 0.140 0.000 0.937 193 F CB -0.263 38.794 39.000 0.096 0.000 1.520 193 F HN 0.255 nan 8.300 nan 0.000 0.667 194 N N 1.213 120.060 118.700 0.244 0.000 2.621 194 N HA 0.315 5.095 4.740 0.066 0.000 0.237 194 N C -2.831 172.832 175.510 0.255 0.000 0.997 194 N CA -1.685 51.474 53.050 0.182 0.000 0.918 194 N CB 0.832 39.315 38.487 -0.007 0.000 1.122 194 N HN -0.116 nan 8.380 nan 0.000 0.510 195 P HA 0.291 nan 4.420 nan 0.000 0.281 195 P C -0.366 177.063 177.300 0.215 0.000 1.252 195 P CA -0.316 62.872 63.100 0.146 0.000 0.778 195 P CB 0.693 32.392 31.700 -0.002 0.000 0.895 196 I N -1.113 119.536 120.570 0.132 0.000 3.191 196 I HA 0.935 5.145 4.170 0.066 0.000 0.313 196 I C 0.044 176.093 176.117 -0.114 0.000 1.193 196 I CA -0.853 60.500 61.300 0.088 0.000 0.968 196 I CB 1.990 40.020 38.000 0.050 0.000 1.262 196 I HN 0.664 nan 8.210 nan 0.000 0.456 197 G N 1.206 109.928 108.800 -0.129 0.000 2.566 197 G HA2 0.502 4.501 3.960 0.066 0.000 0.599 197 G HA3 0.502 4.501 3.960 0.066 0.000 0.599 197 G C -1.034 173.760 174.900 -0.177 0.000 1.292 197 G CA -0.047 44.853 45.100 -0.333 0.000 0.922 197 G HN 2.103 nan 8.290 nan 0.000 0.514 198 A N -1.295 121.447 122.820 -0.130 0.000 2.610 198 A HA 0.750 5.110 4.320 0.066 0.000 0.291 198 A C -0.328 177.432 177.584 0.292 0.000 1.086 198 A CA 0.211 52.301 52.037 0.089 0.000 0.677 198 A CB 1.166 20.218 19.000 0.087 0.000 1.278 198 A HN 1.873 nan 8.150 nan 0.000 0.414 199 H N 2.067 121.375 119.070 0.396 0.000 2.928 199 H HA 0.091 4.686 4.556 0.066 0.000 0.338 199 H C -1.379 174.066 175.328 0.195 0.000 1.047 199 H CA -0.173 56.043 56.048 0.279 0.000 1.435 199 H CB 1.308 31.140 29.762 0.116 0.000 1.428 199 H HN 0.360 nan 8.280 nan 0.000 0.590 200 P HA -0.166 nan 4.420 nan 0.000 0.223 200 P C 1.302 178.661 177.300 0.098 0.000 1.144 200 P CA 1.348 64.428 63.100 -0.033 0.000 0.783 200 P CB 0.092 31.717 31.700 -0.125 0.000 0.771 201 S N -1.035 114.833 115.700 0.281 0.000 2.474 201 S HA 0.083 4.593 4.470 0.066 0.000 0.235 201 S C 1.874 176.604 174.600 0.217 0.000 0.997 201 S CA 0.997 59.363 58.200 0.276 0.000 0.949 201 S CB -1.564 61.849 63.200 0.355 0.000 0.766 201 S HN 0.324 nan 8.310 nan 0.000 0.517 202 G N 0.870 109.829 108.800 0.265 0.000 2.184 202 G HA2 -0.255 3.745 3.960 0.066 0.000 0.264 202 G HA3 -0.255 3.745 3.960 0.066 0.000 0.264 202 G C 0.571 175.682 174.900 0.351 0.000 0.975 202 G CA 0.499 45.767 45.100 0.279 0.000 0.642 202 G HN 0.531 nan 8.290 nan 0.000 0.536 203 L N 0.170 121.544 121.223 0.253 0.000 2.240 203 L HA 0.353 4.733 4.340 0.066 0.000 0.211 203 L C 1.638 178.642 176.870 0.224 0.000 1.106 203 L CA 1.347 56.319 54.840 0.219 0.000 0.793 203 L CB -0.110 41.994 42.059 0.074 0.000 0.927 203 L HN 0.624 nan 8.230 nan 0.000 0.446 204 I N -3.900 116.637 120.570 -0.055 0.000 2.828 204 I HA 0.871 5.081 4.170 0.066 0.000 0.302 204 I C -0.228 175.274 176.117 -1.024 0.000 1.101 204 I CA -0.685 60.332 61.300 -0.472 0.000 1.031 204 I CB 2.109 39.862 38.000 -0.412 0.000 1.231 204 I HN -0.114 nan 8.210 nan 0.000 0.427 205 G N 2.528 110.287 108.800 -1.735 0.000 2.490 205 G HA2 0.281 4.281 3.960 0.066 0.000 0.308 205 G HA3 0.281 4.281 3.960 0.066 0.000 0.308 205 G C -2.044 172.340 174.900 -0.860 0.000 1.286 205 G CA -0.699 43.421 45.100 -1.633 0.000 0.825 205 G HN 0.869 nan 8.290 nan 0.000 0.479 206 E N 0.149 119.967 120.200 -0.637 0.000 2.194 206 E HA 0.385 4.775 4.350 0.066 0.000 0.284 206 E C -1.277 175.314 176.600 -0.015 0.000 1.035 206 E CA -0.336 55.750 56.400 -0.525 0.000 0.836 206 E CB 1.077 30.054 29.700 -1.206 0.000 1.070 206 E HN 0.267 nan 8.360 nan 0.000 0.401 207 D N 6.386 126.829 120.400 0.071 0.000 2.434 207 D HA 0.255 4.934 4.640 0.066 0.000 0.275 207 D C -2.408 173.956 176.300 0.105 0.000 1.172 207 D CA -2.175 51.929 54.000 0.174 0.000 0.916 207 D CB 0.911 41.883 40.800 0.288 0.000 1.041 207 D HN 0.222 nan 8.370 nan 0.000 0.501 208 P HA 0.088 nan 4.420 nan 0.000 0.269 208 P C 0.312 177.652 177.300 0.066 0.000 1.263 208 P CA -0.309 62.817 63.100 0.043 0.000 0.813 208 P CB 0.448 32.161 31.700 0.023 0.000 0.868 209 L N 3.260 124.530 121.223 0.078 0.000 2.530 209 L HA 0.244 4.623 4.340 0.066 0.000 0.247 209 L C 1.057 177.971 176.870 0.073 0.000 1.416 209 L CA 0.775 55.665 54.840 0.083 0.000 1.202 209 L CB -1.081 41.029 42.059 0.087 0.000 1.415 209 L HN 0.737 nan 8.230 nan 0.000 0.443 210 G N 3.076 111.918 108.800 0.070 0.000 3.957 210 G HA2 0.032 4.031 3.960 0.066 0.000 0.131 210 G HA3 0.032 4.031 3.960 0.066 0.000 0.131 210 G C -0.249 174.697 174.900 0.077 0.000 2.236 210 G CA -0.144 44.998 45.100 0.070 0.000 1.096 210 G HN 0.188 nan 8.290 nan 0.000 0.322 211 I N 2.404 123.026 120.570 0.088 0.000 2.710 211 I HA 0.259 4.469 4.170 0.066 0.000 0.283 211 I C -2.726 173.484 176.117 0.156 0.000 1.355 211 I CA -1.334 60.042 61.300 0.128 0.000 1.094 211 I CB 2.545 40.643 38.000 0.164 0.000 1.365 211 I HN 0.090 nan 8.210 nan 0.000 0.435 212 P HA 0.060 nan 4.420 nan 0.000 0.258 212 P C -0.008 177.415 177.300 0.206 0.000 1.172 212 P CA 0.223 63.443 63.100 0.199 0.000 0.762 212 P CB 0.621 32.458 31.700 0.228 0.000 0.764 213 N N 1.573 120.328 118.700 0.091 0.000 2.415 213 N HA -0.032 4.748 4.740 0.066 0.000 0.176 213 N C 0.101 175.624 175.510 0.023 0.000 1.042 213 N CA 0.522 53.589 53.050 0.028 0.000 0.902 213 N CB -0.193 38.288 38.487 -0.010 0.000 0.986 213 N HN 0.535 nan 8.380 nan 0.000 0.447 214 N N 0.939 119.673 118.700 0.057 0.000 2.518 214 N HA 0.070 4.849 4.740 0.066 0.000 0.283 214 N C 1.103 176.658 175.510 0.076 0.000 1.119 214 N CA -0.534 52.552 53.050 0.060 0.000 0.983 214 N CB 1.068 39.591 38.487 0.061 0.000 1.139 214 N HN -0.175 nan 8.380 nan 0.000 0.465 215 L N 1.569 122.833 121.223 0.068 0.000 1.991 215 L HA -0.223 4.157 4.340 0.066 0.000 0.221 215 L C 1.517 178.360 176.870 -0.045 0.000 1.079 215 L CA 1.805 56.667 54.840 0.037 0.000 0.778 215 L CB -0.893 41.190 42.059 0.039 0.000 0.893 215 L HN 0.704 nan 8.230 nan 0.000 0.437 216 L N -0.412 120.736 121.223 -0.125 0.000 1.970 216 L HA -0.157 4.223 4.340 0.066 0.000 0.212 216 L C -0.339 176.384 176.870 -0.245 0.000 1.071 216 L CA 2.234 56.912 54.840 -0.271 0.000 0.751 216 L CB -2.303 39.580 42.059 -0.294 0.000 0.889 216 L HN 0.269 nan 8.230 nan 0.000 0.432 217 P HA -0.210 nan 4.420 nan 0.000 0.220 217 P C 1.378 178.650 177.300 -0.047 0.000 1.148 217 P CA 1.414 64.464 63.100 -0.082 0.000 0.803 217 P CB -0.077 31.587 31.700 -0.060 0.000 0.782 218 Y N 0.297 120.541 120.300 -0.093 0.000 2.184 218 Y HA -0.063 4.527 4.550 0.067 0.000 0.290 218 Y C 2.470 178.327 175.900 -0.072 0.000 1.129 218 Y CA 1.392 59.465 58.100 -0.044 0.000 1.144 218 Y CB -0.805 37.664 38.460 0.015 0.000 0.995 218 Y HN -0.261 nan 8.280 nan 0.000 0.513 219 M N -0.268 119.356 119.600 0.039 0.000 2.073 219 M HA -0.286 4.234 4.480 0.066 0.000 0.258 219 M C 2.481 178.750 176.300 -0.052 0.000 1.070 219 M CA 1.954 57.209 55.300 -0.076 0.000 1.103 219 M CB -1.140 31.187 32.600 -0.455 0.000 1.321 219 M HN 0.428 nan 8.290 nan 0.000 0.405 220 A N 0.212 122.943 122.820 -0.149 0.000 1.892 220 A HA -0.249 4.111 4.320 0.066 0.000 0.218 220 A C 1.978 179.576 177.584 0.024 0.000 1.188 220 A CA 1.945 54.061 52.037 0.133 0.000 0.631 220 A CB -0.980 18.065 19.000 0.076 0.000 0.822 220 A HN 0.643 nan 8.150 nan 0.000 0.447 221 Q N -0.738 118.978 119.800 -0.142 0.000 2.291 221 Q HA -0.091 4.289 4.340 0.066 0.000 0.206 221 Q C 2.081 177.952 176.000 -0.216 0.000 0.976 221 Q CA 1.356 57.026 55.803 -0.222 0.000 0.875 221 Q CB -0.290 28.265 28.738 -0.305 0.000 0.927 221 Q HN 0.562 nan 8.270 nan 0.000 0.450 222 V N 0.596 120.393 119.914 -0.196 0.000 2.302 222 V HA -0.162 3.998 4.120 0.066 0.000 0.243 222 V C 2.179 178.250 176.094 -0.039 0.000 1.036 222 V CA 1.588 63.811 62.300 -0.128 0.000 1.020 222 V CB -0.814 30.961 31.823 -0.081 0.000 0.657 222 V HN 0.335 nan 8.190 nan 0.000 0.453 223 A N -0.781 122.064 122.820 0.041 0.000 2.194 223 A HA -0.133 4.227 4.320 0.066 0.000 0.220 223 A C 1.971 179.610 177.584 0.093 0.000 1.162 223 A CA 1.783 53.859 52.037 0.065 0.000 0.674 223 A CB -0.364 18.712 19.000 0.127 0.000 0.789 223 A HN 0.395 nan 8.150 nan 0.000 0.470 224 V N -1.559 118.362 119.914 0.011 0.000 3.380 224 V HA 0.364 4.524 4.120 0.066 0.000 0.307 224 V C 1.529 177.545 176.094 -0.130 0.000 1.434 224 V CA 0.681 62.927 62.300 -0.091 0.000 1.075 224 V CB -0.311 31.389 31.823 -0.205 0.000 0.954 224 V HN 1.009 nan 8.190 nan 0.000 0.444 225 G N 1.352 110.105 108.800 -0.078 0.000 2.153 225 G HA2 -0.335 3.665 3.960 0.066 0.000 0.252 225 G HA3 -0.335 3.665 3.960 0.066 0.000 0.252 225 G C 0.991 175.860 174.900 -0.052 0.000 0.994 225 G CA 0.787 45.855 45.100 -0.053 0.000 0.698 225 G HN 0.473 nan 8.290 nan 0.000 0.521 226 R N -1.019 119.420 120.500 -0.102 0.000 2.240 226 R HA 0.128 4.508 4.340 0.066 0.000 0.203 226 R C 0.766 177.016 176.300 -0.083 0.000 1.011 226 R CA 0.558 56.615 56.100 -0.071 0.000 1.007 226 R CB 0.096 30.330 30.300 -0.111 0.000 0.911 226 R HN 0.165 nan 8.270 nan 0.000 0.468 227 R N -0.241 120.177 120.500 -0.136 0.000 2.628 227 R HA 0.084 4.464 4.340 0.066 0.000 0.288 227 R C 0.181 176.445 176.300 -0.060 0.000 0.980 227 R CA -0.419 55.599 56.100 -0.137 0.000 0.891 227 R CB 1.416 31.462 30.300 -0.424 0.000 1.188 227 R HN 0.048 nan 8.270 nan 0.000 0.450 228 E N 1.912 122.117 120.200 0.008 0.000 2.031 228 E HA -0.103 4.287 4.350 0.066 0.000 0.193 228 E C -0.511 176.074 176.600 -0.025 0.000 0.994 228 E CA 1.466 57.871 56.400 0.007 0.000 0.800 228 E CB 0.454 30.179 29.700 0.041 0.000 0.752 228 E HN 0.381 nan 8.360 nan 0.000 0.447 229 K N -0.458 119.923 120.400 -0.032 0.000 2.555 229 K HA 0.357 4.717 4.320 0.066 0.000 0.279 229 K C -1.502 175.027 176.600 -0.117 0.000 0.986 229 K CA -0.794 55.410 56.287 -0.139 0.000 0.880 229 K CB 1.861 34.173 32.500 -0.313 0.000 1.474 229 K HN 0.044 nan 8.250 nan 0.000 0.433 230 L N 0.832 121.992 121.223 -0.104 0.000 2.325 230 L HA 0.525 4.905 4.340 0.066 0.000 0.278 230 L C -1.653 174.974 176.870 -0.406 0.000 1.023 230 L CA -0.146 54.715 54.840 0.034 0.000 0.811 230 L CB 0.780 43.008 42.059 0.282 0.000 1.249 230 L HN 0.490 nan 8.230 nan 0.000 0.431 231 Y N 5.107 125.287 120.300 -0.200 0.000 2.334 231 Y HA 0.464 5.054 4.550 0.066 0.000 0.336 231 Y C 0.078 175.573 175.900 -0.676 0.000 0.960 231 Y CA -0.712 57.089 58.100 -0.498 0.000 1.164 231 Y CB 1.283 39.257 38.460 -0.809 0.000 1.155 231 Y HN 0.404 nan 8.280 nan 0.000 0.478 232 I N 5.351 125.725 120.570 -0.326 0.000 2.421 232 I HA 0.029 4.239 4.170 0.066 0.000 0.291 232 I C -0.247 175.680 176.117 -0.317 0.000 1.089 232 I CA 0.316 61.450 61.300 -0.277 0.000 1.354 232 I CB -0.062 37.729 38.000 -0.348 0.000 1.413 232 I HN 0.497 nan 8.210 nan 0.000 0.513 241 D N -1.408 118.997 120.400 0.008 0.000 2.602 241 D HA 0.264 4.943 4.640 0.066 0.000 0.284 241 D C 1.238 177.540 176.300 0.004 0.000 1.065 241 D CA 1.472 55.458 54.000 -0.022 0.000 0.923 241 D CB 1.374 42.139 40.800 -0.058 0.000 1.373 241 D HN 0.351 nan 8.370 nan 0.000 0.492 242 G N 0.414 109.247 108.800 0.055 0.000 3.724 242 G HA2 -0.088 3.911 3.960 0.066 0.000 0.212 242 G HA3 -0.088 3.911 3.960 0.066 0.000 0.212 242 G C 0.174 175.140 174.900 0.111 0.000 0.928 242 G CA 0.225 45.373 45.100 0.081 0.000 0.879 242 G HN 0.216 nan 8.290 nan 0.000 0.424 243 T N 2.567 117.208 114.554 0.144 0.000 2.832 243 T HA 0.587 4.977 4.350 0.066 0.000 0.296 243 T C -2.535 172.235 174.700 0.117 0.000 0.968 243 T CA -1.444 60.747 62.100 0.152 0.000 1.107 243 T CB 1.706 70.708 68.868 0.224 0.000 0.916 243 T HN 0.080 nan 8.240 nan 0.000 0.517 244 P HA 0.183 nan 4.420 nan 0.000 0.264 244 P C -0.276 177.082 177.300 0.096 0.000 1.183 244 P CA -0.166 62.986 63.100 0.088 0.000 0.763 244 P CB 0.363 32.113 31.700 0.084 0.000 0.807 245 I N 3.829 124.442 120.570 0.071 0.000 2.498 245 I HA 0.451 4.660 4.170 0.066 0.000 0.301 245 I C 0.830 176.955 176.117 0.013 0.000 0.984 245 I CA -0.717 60.620 61.300 0.061 0.000 1.204 245 I CB 1.291 39.322 38.000 0.052 0.000 1.362 245 I HN 0.284 nan 8.210 nan 0.000 0.471 246 R N 2.494 122.954 120.500 -0.067 0.000 2.781 246 R HA 0.374 4.753 4.340 0.066 0.000 0.269 246 R C -1.461 174.648 176.300 -0.318 0.000 1.025 246 R CA -0.870 55.085 56.100 -0.242 0.000 0.914 246 R CB 1.346 31.346 30.300 -0.499 0.000 1.236 246 R HN 0.485 nan 8.270 nan 0.000 0.465 247 D N 1.312 121.565 120.400 -0.245 0.000 2.472 247 D HA 0.212 4.892 4.640 0.066 0.000 0.234 247 D C -0.976 175.254 176.300 -0.117 0.000 1.088 247 D CA -0.415 53.515 54.000 -0.117 0.000 0.882 247 D CB 0.188 40.959 40.800 -0.048 0.000 1.037 247 D HN 0.243 nan 8.370 nan 0.000 0.520 248 Y N 3.230 123.608 120.300 0.130 0.000 2.486 248 Y HA 0.270 4.861 4.550 0.068 0.000 0.348 248 Y C 0.722 176.694 175.900 0.119 0.000 1.000 248 Y CA -0.520 57.653 58.100 0.121 0.000 1.253 248 Y CB 0.555 39.070 38.460 0.093 0.000 1.140 248 Y HN 0.332 nan 8.280 nan 0.000 0.526 249 I N 3.939 124.668 120.570 0.266 0.000 2.377 249 I HA 0.253 4.463 4.170 0.066 0.000 0.293 249 I C -0.076 176.156 176.117 0.192 0.000 0.987 249 I CA -0.836 60.599 61.300 0.225 0.000 1.185 249 I CB 0.645 38.786 38.000 0.236 0.000 1.341 249 I HN 0.567 nan 8.210 nan 0.000 0.455 250 H N 6.771 125.904 119.070 0.105 0.000 2.929 250 H HA -0.003 4.592 4.556 0.066 0.000 0.317 250 H C 0.944 176.264 175.328 -0.012 0.000 1.031 250 H CA 0.700 56.779 56.048 0.053 0.000 1.466 250 H CB 1.760 31.548 29.762 0.043 0.000 1.482 250 H HN 0.698 nan 8.280 nan 0.000 0.561 251 V N 5.940 125.780 119.914 -0.124 0.000 2.527 251 V HA -0.253 3.907 4.120 0.066 0.000 0.255 251 V C 1.979 178.053 176.094 -0.033 0.000 1.081 251 V CA 2.015 64.160 62.300 -0.257 0.000 1.092 251 V CB -0.299 31.070 31.823 -0.757 0.000 0.673 251 V HN 0.645 nan 8.190 nan 0.000 0.470 252 V N -0.220 119.912 119.914 0.365 0.000 2.379 252 V HA -0.151 4.008 4.120 0.066 0.000 0.245 252 V C 2.326 178.511 176.094 0.151 0.000 1.044 252 V CA 2.155 64.564 62.300 0.183 0.000 1.036 252 V CB -0.682 31.174 31.823 0.055 0.000 0.664 252 V HN 0.556 nan 8.190 nan 0.000 0.453 253 D N -0.015 120.499 120.400 0.191 0.000 2.117 253 D HA -0.142 4.537 4.640 0.066 0.000 0.197 253 D C 1.991 178.550 176.300 0.432 0.000 0.987 253 D CA 1.088 55.266 54.000 0.296 0.000 0.829 253 D CB -0.181 40.783 40.800 0.272 0.000 0.961 253 D HN 0.313 nan 8.370 nan 0.000 0.460 254 L N 1.112 122.475 121.223 0.233 0.000 2.012 254 L HA -0.138 4.242 4.340 0.066 0.000 0.210 254 L C 2.159 179.067 176.870 0.063 0.000 1.073 254 L CA 2.011 56.882 54.840 0.052 0.000 0.748 254 L CB -0.906 41.077 42.059 -0.127 0.000 0.891 254 L HN -0.026 nan 8.230 nan 0.000 0.431 255 A N -0.703 122.132 122.820 0.024 0.000 1.908 255 A HA -0.259 4.100 4.320 0.066 0.000 0.218 255 A C 2.342 179.997 177.584 0.117 0.000 1.181 255 A CA 2.097 54.136 52.037 0.004 0.000 0.627 255 A CB -0.566 18.421 19.000 -0.021 0.000 0.818 255 A HN 0.531 nan 8.150 nan 0.000 0.445 256 K N -0.819 119.678 120.400 0.162 0.000 2.147 256 K HA -0.072 4.288 4.320 0.066 0.000 0.205 256 K C 1.995 178.636 176.600 0.068 0.000 1.049 256 K CA 0.851 57.254 56.287 0.194 0.000 0.936 256 K CB -0.392 32.285 32.500 0.295 0.000 0.722 256 K HN 0.486 nan 8.250 nan 0.000 0.446 257 G N 0.259 108.923 108.800 -0.227 0.000 2.448 257 G HA2 -0.244 3.756 3.960 0.066 0.000 0.219 257 G HA3 -0.244 3.756 3.960 0.066 0.000 0.219 257 G C 0.907 175.465 174.900 -0.570 0.000 1.127 257 G CA 0.912 45.360 45.100 -1.087 0.000 0.766 257 G HN 0.336 nan 8.290 nan 0.000 0.552 258 H N -0.102 118.793 119.070 -0.292 0.000 2.436 258 H HA 0.124 4.720 4.556 0.067 0.000 0.294 258 H C 2.528 177.767 175.328 -0.148 0.000 1.048 258 H CA 0.565 56.499 56.048 -0.189 0.000 1.353 258 H CB 0.121 29.831 29.762 -0.087 0.000 1.414 258 H HN 0.212 nan 8.280 nan 0.000 0.536 259 I N 0.473 121.060 120.570 0.030 0.000 2.315 259 I HA -0.163 4.046 4.170 0.066 0.000 0.248 259 I C 2.477 178.605 176.117 0.020 0.000 1.117 259 I CA 1.183 62.505 61.300 0.036 0.000 1.404 259 I CB -1.322 36.740 38.000 0.104 0.000 1.071 259 I HN 0.248 nan 8.210 nan 0.000 0.419 260 A N 0.992 123.791 122.820 -0.035 0.000 1.933 260 A HA -0.105 4.255 4.320 0.066 0.000 0.218 260 A C 2.586 180.093 177.584 -0.129 0.000 1.175 260 A CA 1.921 53.930 52.037 -0.046 0.000 0.628 260 A CB -0.677 18.293 19.000 -0.050 0.000 0.814 260 A HN 0.408 nan 8.150 nan 0.000 0.444 261 A N -0.385 122.284 122.820 -0.253 0.000 1.873 261 A HA -0.022 4.338 4.320 0.066 0.000 0.215 261 A C 2.193 179.741 177.584 -0.060 0.000 1.186 261 A CA 1.385 53.247 52.037 -0.292 0.000 0.616 261 A CB -0.608 18.180 19.000 -0.353 0.000 0.823 261 A HN 0.463 nan 8.150 nan 0.000 0.442 262 L N -0.530 120.674 121.223 -0.031 0.000 2.012 262 L HA -0.295 4.085 4.340 0.066 0.000 0.210 262 L C 2.961 179.910 176.870 0.130 0.000 1.073 262 L CA 1.981 56.845 54.840 0.039 0.000 0.748 262 L CB -0.554 41.473 42.059 -0.054 0.000 0.891 262 L HN 0.555 nan 8.230 nan 0.000 0.431 263 Q N -1.512 118.371 119.800 0.139 0.000 2.124 263 Q HA -0.283 4.097 4.340 0.066 0.000 0.202 263 Q C 1.993 178.097 176.000 0.173 0.000 0.977 263 Q CA 1.940 57.840 55.803 0.162 0.000 0.850 263 Q CB -0.312 28.511 28.738 0.141 0.000 0.901 263 Q HN 0.515 nan 8.270 nan 0.000 0.429 264 Y N 1.376 121.693 120.300 0.028 0.000 2.145 264 Y HA -0.221 4.369 4.550 0.067 0.000 0.286 264 Y C 1.884 177.891 175.900 0.179 0.000 1.145 264 Y CA 1.367 59.508 58.100 0.067 0.000 1.148 264 Y CB -0.067 38.348 38.460 -0.076 0.000 0.981 264 Y HN 0.007 nan 8.280 nan 0.000 0.507 265 L N -0.177 121.254 121.223 0.346 0.000 2.083 265 L HA -0.220 4.160 4.340 0.066 0.000 0.209 265 L C 2.232 179.232 176.870 0.217 0.000 1.083 265 L CA 1.715 56.712 54.840 0.262 0.000 0.752 265 L CB -0.622 41.568 42.059 0.217 0.000 0.899 265 L HN 0.285 nan 8.230 nan 0.000 0.433 266 E N 0.212 120.525 120.200 0.187 0.000 2.204 266 E HA -0.177 4.213 4.350 0.066 0.000 0.195 266 E C 2.248 178.920 176.600 0.120 0.000 0.990 266 E CA 0.942 57.436 56.400 0.156 0.000 0.821 266 E CB -0.079 29.718 29.700 0.162 0.000 0.750 266 E HN 0.487 nan 8.360 nan 0.000 0.477 267 A N 0.422 123.298 122.820 0.094 0.000 2.015 267 A HA -0.107 4.253 4.320 0.066 0.000 0.219 267 A C 0.478 178.055 177.584 -0.011 0.000 1.163 267 A CA 0.665 52.705 52.037 0.005 0.000 0.646 267 A CB -0.309 18.631 19.000 -0.100 0.000 0.806 267 A HN 0.139 nan 8.150 nan 0.000 0.448 268 Y N 0.745 121.011 120.300 -0.057 0.000 2.379 268 Y HA 0.139 4.729 4.550 0.066 0.000 0.337 268 Y C 0.908 176.808 175.900 -0.000 0.000 1.238 268 Y CA -0.382 57.700 58.100 -0.031 0.000 1.405 268 Y CB 0.298 38.754 38.460 -0.007 0.000 1.310 268 Y HN 0.194 nan 8.280 nan 0.000 0.569 269 N N 1.711 120.488 118.700 0.129 0.000 2.453 269 N HA -0.069 4.711 4.740 0.066 0.000 0.253 269 N C 1.158 176.723 175.510 0.092 0.000 1.252 269 N CA 0.139 53.237 53.050 0.079 0.000 0.917 269 N CB 0.706 39.221 38.487 0.046 0.000 1.117 269 N HN 0.778 nan 8.380 nan 0.000 0.442 270 E N 1.071 121.305 120.200 0.057 0.000 2.160 270 E HA -0.192 4.198 4.350 0.066 0.000 0.195 270 E C 0.382 176.998 176.600 0.026 0.000 0.991 270 E CA 1.055 57.480 56.400 0.042 0.000 0.810 270 E CB 0.179 29.896 29.700 0.027 0.000 0.742 270 E HN 0.498 nan 8.360 nan 0.000 0.466 271 N N 0.485 119.203 118.700 0.030 0.000 2.412 271 N HA -0.001 4.779 4.740 0.066 0.000 0.184 271 N C -0.071 175.464 175.510 0.043 0.000 1.101 271 N CA 0.381 53.443 53.050 0.019 0.000 0.881 271 N CB 0.308 38.803 38.487 0.014 0.000 0.969 271 N HN 0.204 nan 8.380 nan 0.000 0.459 272 E N -0.187 120.067 120.200 0.089 0.000 2.232 272 E HA 0.687 5.077 4.350 0.066 0.000 0.264 272 E C -0.109 176.584 176.600 0.155 0.000 0.973 272 E CA -0.921 55.572 56.400 0.155 0.000 0.849 272 E CB 1.811 31.676 29.700 0.275 0.000 1.198 272 E HN 0.147 nan 8.360 nan 0.000 0.407 273 G N 0.492 109.401 108.800 0.182 0.000 2.725 273 G HA2 0.688 4.688 3.960 0.066 0.000 0.288 273 G HA3 0.688 4.688 3.960 0.066 0.000 0.288 273 G C -1.547 173.380 174.900 0.045 0.000 1.399 273 G CA -0.595 44.582 45.100 0.128 0.000 0.859 273 G HN 0.312 nan 8.290 nan 0.000 0.479 274 L N -2.399 118.684 121.223 -0.234 0.000 2.869 274 L HA 0.809 5.189 4.340 0.066 0.000 0.265 274 L C -1.679 174.685 176.870 -0.843 0.000 1.011 274 L CA -1.284 53.185 54.840 -0.619 0.000 0.913 274 L CB 0.914 42.608 42.059 -0.609 0.000 1.490 274 L HN 0.963 nan 8.230 nan 0.000 0.410 275 C N 1.684 120.414 119.300 -0.950 0.000 2.505 275 C HA 0.884 5.384 4.460 0.066 0.000 0.342 275 C C -0.286 174.510 174.990 -0.324 0.000 1.121 275 C CA -0.045 58.665 59.018 -0.513 0.000 1.306 275 C CB 1.071 28.573 27.740 -0.398 0.000 1.897 275 C HN 1.081 nan 8.230 nan 0.000 0.446 276 R N 3.744 124.086 120.500 -0.263 0.000 2.710 276 R HA 0.654 5.034 4.340 0.066 0.000 0.270 276 R C -1.465 174.411 176.300 -0.707 0.000 1.021 276 R CA -0.213 55.562 56.100 -0.541 0.000 0.889 276 R CB 1.587 31.437 30.300 -0.749 0.000 1.243 276 R HN 0.799 nan 8.270 nan 0.000 0.464 277 E N 2.604 122.304 120.200 -0.833 0.000 2.256 277 E HA 0.385 4.775 4.350 0.066 0.000 0.267 277 E C -1.201 174.936 176.600 -0.772 0.000 0.892 277 E CA -0.578 55.480 56.400 -0.569 0.000 0.775 277 E CB 1.779 31.336 29.700 -0.237 0.000 1.207 277 E HN 0.454 nan 8.360 nan 0.000 0.420 278 W N 1.280 122.560 121.300 -0.034 0.000 3.129 278 W HA 0.289 4.991 4.660 0.070 0.000 0.333 278 W C -0.418 176.140 176.519 0.065 0.000 1.141 278 W CA -0.769 56.573 57.345 -0.004 0.000 1.224 278 W CB 1.979 31.390 29.460 -0.080 0.000 1.393 278 W HN 0.378 nan 8.180 nan 0.000 0.499 279 N N 2.257 121.177 118.700 0.367 0.000 2.529 279 N HA 0.395 5.175 4.740 0.066 0.000 0.278 279 N C -0.681 175.046 175.510 0.362 0.000 1.146 279 N CA -0.001 53.322 53.050 0.456 0.000 0.980 279 N CB 1.142 39.881 38.487 0.420 0.000 1.124 279 N HN 0.255 nan 8.380 nan 0.000 0.458 280 L N 1.697 123.158 121.223 0.395 0.000 2.324 280 L HA 0.612 4.992 4.340 0.066 0.000 0.274 280 L C 0.670 177.772 176.870 0.386 0.000 1.012 280 L CA -0.551 54.430 54.840 0.234 0.000 0.859 280 L CB 1.239 43.263 42.059 -0.058 0.000 1.224 280 L HN 0.528 nan 8.230 nan 0.000 0.429 281 G N 0.053 109.039 108.800 0.310 0.000 2.687 281 G HA2 0.351 4.351 3.960 0.066 0.000 0.291 281 G HA3 0.351 4.351 3.960 0.066 0.000 0.291 281 G C 0.311 175.267 174.900 0.093 0.000 1.420 281 G CA 0.197 45.354 45.100 0.095 0.000 0.796 281 G HN 0.415 nan 8.290 nan 0.000 0.485 282 S N -1.821 113.886 115.700 0.013 0.000 2.458 282 S HA 0.347 4.857 4.470 0.066 0.000 0.223 282 S C 1.925 176.484 174.600 -0.070 0.000 1.019 282 S CA 1.218 59.406 58.200 -0.019 0.000 0.937 282 S CB 0.142 63.353 63.200 0.017 0.000 0.788 282 S HN 2.640 nan 8.310 nan 0.000 0.511 283 G N 0.912 109.641 108.800 -0.119 0.000 2.175 283 G HA2 -0.237 3.763 3.960 0.066 0.000 0.244 283 G HA3 -0.237 3.763 3.960 0.066 0.000 0.244 283 G C -0.015 174.839 174.900 -0.077 0.000 0.982 283 G CA 0.278 45.304 45.100 -0.122 0.000 0.641 283 G HN 0.598 nan 8.290 nan 0.000 0.527 284 K N 1.303 121.675 120.400 -0.047 0.000 2.234 284 K HA 0.532 4.892 4.320 0.066 0.000 0.277 284 K C 0.623 177.228 176.600 0.007 0.000 1.038 284 K CA 0.195 56.477 56.287 -0.007 0.000 0.888 284 K CB 0.853 33.366 32.500 0.021 0.000 1.091 284 K HN 0.271 nan 8.250 nan 0.000 0.467 285 G N 1.893 110.700 108.800 0.013 0.000 2.353 285 G HA2 0.230 4.230 3.960 0.066 0.000 0.284 285 G HA3 0.230 4.230 3.960 0.066 0.000 0.284 285 G C -0.757 174.190 174.900 0.079 0.000 1.172 285 G CA -0.260 44.855 45.100 0.025 0.000 0.854 285 G HN 0.480 nan 8.290 nan 0.000 0.485 286 S N 0.273 116.046 115.700 0.121 0.000 2.519 286 S HA 0.473 4.983 4.470 0.066 0.000 0.309 286 S C 0.381 175.139 174.600 0.264 0.000 1.100 286 S CA -0.575 57.771 58.200 0.243 0.000 1.059 286 S CB 1.589 65.026 63.200 0.396 0.000 1.008 286 S HN 0.956 nan 8.310 nan 0.000 0.478 287 T N 2.021 116.698 114.554 0.206 0.000 2.769 287 T HA 0.166 4.556 4.350 0.066 0.000 0.293 287 T C 1.557 176.398 174.700 0.235 0.000 0.931 287 T CA -0.535 61.681 62.100 0.192 0.000 1.139 287 T CB 0.096 69.051 68.868 0.146 0.000 0.881 287 T HN 0.279 nan 8.240 nan 0.000 0.532 288 V N 4.784 124.831 119.914 0.222 0.000 2.252 288 V HA -0.217 3.942 4.120 0.066 0.000 0.255 288 V C 2.130 178.295 176.094 0.118 0.000 1.071 288 V CA 2.402 64.798 62.300 0.160 0.000 1.050 288 V CB -1.122 30.742 31.823 0.067 0.000 0.654 288 V HN 0.960 nan 8.190 nan 0.000 0.448 289 F N 0.135 120.104 119.950 0.031 0.000 2.065 289 F HA -0.228 4.338 4.527 0.065 0.000 0.298 289 F C 2.559 178.477 175.800 0.197 0.000 1.112 289 F CA 2.217 60.234 58.000 0.028 0.000 1.212 289 F CB -0.458 38.514 39.000 -0.047 0.000 0.975 289 F HN 0.190 nan 8.300 nan 0.000 0.476 290 E N -0.203 120.193 120.200 0.326 0.000 2.208 290 E HA -0.247 4.143 4.350 0.066 0.000 0.202 290 E C 2.229 178.960 176.600 0.218 0.000 1.014 290 E CA 1.724 58.251 56.400 0.211 0.000 0.819 290 E CB -0.323 29.459 29.700 0.137 0.000 0.735 290 E HN 0.268 nan 8.360 nan 0.000 0.469 291 V N 0.293 120.315 119.914 0.180 0.000 2.255 291 V HA -0.253 3.907 4.120 0.066 0.000 0.243 291 V C 1.975 178.150 176.094 0.135 0.000 1.038 291 V CA 1.889 64.227 62.300 0.063 0.000 1.008 291 V CB -0.820 30.934 31.823 -0.116 0.000 0.645 291 V HN 0.268 nan 8.190 nan 0.000 0.449 292 Y N 0.871 121.174 120.300 0.006 0.000 2.030 292 Y HA -0.383 4.206 4.550 0.066 0.000 0.272 292 Y C 2.787 178.700 175.900 0.023 0.000 1.185 292 Y CA 2.483 60.569 58.100 -0.024 0.000 1.120 292 Y CB -0.674 37.688 38.460 -0.164 0.000 0.955 292 Y HN 0.335 nan 8.280 nan 0.000 0.495 293 H N -0.895 118.326 119.070 0.252 0.000 2.352 293 H HA -0.184 4.412 4.556 0.066 0.000 0.299 293 H C 2.275 177.612 175.328 0.015 0.000 1.097 293 H CA 1.328 57.456 56.048 0.134 0.000 1.311 293 H CB -0.476 29.387 29.762 0.168 0.000 1.377 293 H HN 0.542 nan 8.280 nan 0.000 0.504 294 A N 0.807 123.730 122.820 0.172 0.000 1.902 294 A HA -0.177 4.183 4.320 0.066 0.000 0.217 294 A C 2.252 179.853 177.584 0.027 0.000 1.181 294 A CA 1.187 53.277 52.037 0.089 0.000 0.623 294 A CB -0.854 18.203 19.000 0.095 0.000 0.818 294 A HN 0.319 nan 8.150 nan 0.000 0.443 295 F N 0.545 120.401 119.950 -0.157 0.000 2.084 295 F HA -0.199 4.368 4.527 0.067 0.000 0.296 295 F C 2.573 178.152 175.800 -0.370 0.000 1.111 295 F CA 1.369 59.217 58.000 -0.253 0.000 1.224 295 F CB -0.819 38.020 39.000 -0.268 0.000 0.991 295 F HN 0.317 nan 8.300 nan 0.000 0.471 296 C N 0.838 119.846 119.300 -0.487 0.000 2.413 296 C HA -0.214 4.286 4.460 0.066 0.000 0.276 296 C C 2.761 177.467 174.990 -0.475 0.000 1.248 296 C CA 1.496 60.166 59.018 -0.579 0.000 1.742 296 C CB -1.332 26.097 27.740 -0.517 0.000 2.017 296 C HN 0.556 nan 8.230 nan 0.000 0.481 297 K N 1.551 121.775 120.400 -0.294 0.000 2.032 297 K HA -0.168 4.192 4.320 0.066 0.000 0.209 297 K C 2.112 178.538 176.600 -0.290 0.000 1.048 297 K CA 1.877 58.038 56.287 -0.209 0.000 0.927 297 K CB -0.377 32.078 32.500 -0.076 0.000 0.712 297 K HN 0.378 nan 8.250 nan 0.000 0.441 298 A N 0.915 123.521 122.820 -0.357 0.000 1.877 298 A HA -0.156 4.203 4.320 0.066 0.000 0.216 298 A C 2.148 179.296 177.584 -0.728 0.000 1.186 298 A CA 2.220 54.030 52.037 -0.380 0.000 0.620 298 A CB -0.789 18.051 19.000 -0.268 0.000 0.822 298 A HN 0.602 nan 8.150 nan 0.000 0.443 299 S N -1.735 113.189 115.700 -1.293 0.000 2.558 299 S HA 0.360 4.869 4.470 0.066 0.000 0.217 299 S C 1.393 175.345 174.600 -1.081 0.000 0.975 299 S CA 0.999 57.968 58.200 -2.052 0.000 0.912 299 S CB -0.462 61.217 63.200 -2.536 0.000 0.776 299 S HN 1.946 nan 8.310 nan 0.000 0.526 300 G N 1.173 109.575 108.800 -0.663 0.000 2.258 300 G HA2 -0.241 3.759 3.960 0.066 0.000 0.274 300 G HA3 -0.241 3.759 3.960 0.066 0.000 0.274 300 G C -0.076 174.611 174.900 -0.356 0.000 1.021 300 G CA 0.797 45.667 45.100 -0.383 0.000 0.798 300 G HN 0.627 nan 8.290 nan 0.000 0.507 301 I N -1.255 119.038 120.570 -0.462 0.000 2.934 301 I HA 0.356 4.566 4.170 0.066 0.000 0.306 301 I C -1.095 174.829 176.117 -0.321 0.000 1.110 301 I CA -1.015 60.072 61.300 -0.355 0.000 1.019 301 I CB 2.187 39.928 38.000 -0.433 0.000 1.227 301 I HN -0.149 nan 8.210 nan 0.000 0.434 302 D N 4.434 124.714 120.400 -0.200 0.000 2.485 302 D HA 0.456 5.136 4.640 0.066 0.000 0.221 302 D C -0.224 176.028 176.300 -0.081 0.000 1.112 302 D CA -0.231 53.691 54.000 -0.129 0.000 0.911 302 D CB 0.651 41.428 40.800 -0.038 0.000 1.019 302 D HN 0.195 nan 8.370 nan 0.000 0.516 303 L N 2.822 123.956 121.223 -0.148 0.000 2.468 303 L HA 0.349 4.728 4.340 0.066 0.000 0.253 303 L C -1.626 175.357 176.870 0.188 0.000 1.237 303 L CA -1.389 53.443 54.840 -0.013 0.000 0.823 303 L CB -0.214 41.811 42.059 -0.056 0.000 1.124 303 L HN 0.214 nan 8.230 nan 0.000 0.504 304 P HA 0.354 nan 4.420 nan 0.000 0.282 304 P C -1.581 175.838 177.300 0.197 0.000 1.287 304 P CA -0.154 62.977 63.100 0.051 0.000 0.792 304 P CB 0.948 32.600 31.700 -0.080 0.000 1.163 316 L N 3.631 124.863 121.223 0.016 0.000 1.932 316 L HA 0.171 4.550 4.340 0.066 0.000 0.217 316 L C 0.893 177.784 176.870 0.034 0.000 1.077 316 L CA 2.210 57.065 54.840 0.025 0.000 0.765 316 L CB -0.436 41.636 42.059 0.021 0.000 0.888 316 L HN 0.788 nan 8.230 nan 0.000 0.433 317 N N -0.593 118.127 118.700 0.033 0.000 2.430 317 N HA 0.371 5.150 4.740 0.066 0.000 0.298 317 N C -1.468 174.078 175.510 0.059 0.000 1.130 317 N CA -0.409 52.666 53.050 0.042 0.000 0.894 317 N CB 1.705 40.213 38.487 0.035 0.000 1.209 317 N HN 0.262 nan 8.380 nan 0.000 0.503 318 L N 1.976 123.247 121.223 0.081 0.000 2.392 318 L HA 0.277 4.656 4.340 0.066 0.000 0.262 318 L C -1.157 175.868 176.870 0.258 0.000 1.498 318 L CA -0.027 54.911 54.840 0.164 0.000 0.820 318 L CB 0.627 42.757 42.059 0.119 0.000 0.990 318 L HN 0.443 nan 8.230 nan 0.000 0.520 319 T N 1.306 115.958 114.554 0.163 0.000 2.797 319 T HA 0.824 5.214 4.350 0.066 0.000 0.279 319 T C 0.200 174.802 174.700 -0.162 0.000 0.991 319 T CA -0.180 61.919 62.100 -0.002 0.000 0.979 319 T CB 1.702 70.552 68.868 -0.030 0.000 0.943 319 T HN 0.485 nan 8.240 nan 0.000 0.444 320 A N 2.905 125.306 122.820 -0.699 0.000 2.340 320 A HA 0.561 4.921 4.320 0.066 0.000 0.268 320 A C 0.221 177.585 177.584 -0.366 0.000 1.100 320 A CA -0.599 50.883 52.037 -0.926 0.000 0.803 320 A CB 0.379 18.417 19.000 -1.602 0.000 1.043 320 A HN 0.775 nan 8.150 nan 0.000 0.488 321 K N 2.894 123.173 120.400 -0.202 0.000 2.253 321 K HA 0.407 4.767 4.320 0.066 0.000 0.277 321 K C -2.198 174.372 176.600 -0.049 0.000 1.053 321 K CA -1.746 54.483 56.287 -0.097 0.000 0.892 321 K CB 0.969 33.435 32.500 -0.057 0.000 1.102 321 K HN 0.405 nan 8.250 nan 0.000 0.469 322 P HA 0.122 nan 4.420 nan 0.000 0.266 322 P C -0.522 176.836 177.300 0.096 0.000 1.381 322 P CA -0.068 63.064 63.100 0.054 0.000 0.940 322 P CB 0.545 32.259 31.700 0.023 0.000 1.435 323 D N 0.674 121.114 120.400 0.067 0.000 2.123 323 D HA -0.180 4.499 4.640 0.066 0.000 0.196 323 D C 1.999 178.376 176.300 0.129 0.000 0.992 323 D CA 1.101 55.147 54.000 0.076 0.000 0.833 323 D CB -0.488 40.340 40.800 0.047 0.000 0.954 323 D HN 0.188 nan 8.370 nan 0.000 0.455 324 R N 0.711 121.313 120.500 0.170 0.000 2.073 324 R HA -0.098 4.282 4.340 0.066 0.000 0.234 324 R C 2.116 178.630 176.300 0.357 0.000 1.134 324 R CA 1.488 57.738 56.100 0.250 0.000 0.952 324 R CB -0.217 30.216 30.300 0.222 0.000 0.850 324 R HN 0.154 nan 8.270 nan 0.000 0.433 325 A N 1.578 124.624 122.820 0.377 0.000 1.877 325 A HA -0.233 4.127 4.320 0.066 0.000 0.216 325 A C 2.112 179.815 177.584 0.199 0.000 1.186 325 A CA 1.802 53.993 52.037 0.256 0.000 0.620 325 A CB -0.556 18.670 19.000 0.376 0.000 0.822 325 A HN 0.461 nan 8.150 nan 0.000 0.443 326 K N -0.286 120.229 120.400 0.192 0.000 2.032 326 K HA -0.216 4.144 4.320 0.066 0.000 0.209 326 K C 2.337 178.996 176.600 0.099 0.000 1.048 326 K CA 1.793 58.142 56.287 0.103 0.000 0.927 326 K CB -0.254 32.271 32.500 0.041 0.000 0.712 326 K HN 0.457 nan 8.250 nan 0.000 0.441 327 R N 0.308 120.880 120.500 0.120 0.000 2.090 327 R HA -0.092 4.288 4.340 0.066 0.000 0.228 327 R C 1.529 177.922 176.300 0.155 0.000 1.110 327 R CA 1.764 57.938 56.100 0.122 0.000 0.973 327 R CB 0.055 30.429 30.300 0.123 0.000 0.869 327 R HN 0.339 nan 8.270 nan 0.000 0.440 328 E N -0.017 120.298 120.200 0.192 0.000 2.162 328 E HA 0.024 4.414 4.350 0.066 0.000 0.193 328 E C 1.836 178.516 176.600 0.134 0.000 0.953 328 E CA 0.467 57.014 56.400 0.246 0.000 0.849 328 E CB 0.256 30.203 29.700 0.412 0.000 0.810 328 E HN 0.280 nan 8.360 nan 0.000 0.470 329 L N 0.637 121.810 121.223 -0.084 0.000 2.509 329 L HA 0.114 4.494 4.340 0.066 0.000 0.222 329 L C 0.188 177.090 176.870 0.054 0.000 1.123 329 L CA 0.198 54.936 54.840 -0.170 0.000 0.856 329 L CB -0.012 41.766 42.059 -0.468 0.000 0.985 329 L HN 0.039 nan 8.230 nan 0.000 0.456 330 K N -0.733 119.726 120.400 0.099 0.000 3.125 330 K HA -0.239 4.121 4.320 0.066 0.000 0.268 330 K C -0.613 176.071 176.600 0.139 0.000 1.078 330 K CA 0.687 57.036 56.287 0.103 0.000 0.775 330 K CB -1.780 30.775 32.500 0.092 0.000 1.253 330 K HN 0.434 nan 8.250 nan 0.000 0.486 331 W N 1.618 122.888 121.300 -0.049 0.000 2.844 331 W HA 0.396 5.095 4.660 0.065 0.000 0.340 331 W C -0.982 175.519 176.519 -0.031 0.000 1.093 331 W CA -0.383 56.934 57.345 -0.046 0.000 1.212 331 W CB 1.264 30.674 29.460 -0.083 0.000 1.422 331 W HN 0.193 nan 8.180 nan 0.000 0.515 332 Q N 2.438 121.499 119.800 -1.231 0.000 2.522 332 Q HA 0.423 4.803 4.340 0.066 0.000 0.285 332 Q C -0.977 174.139 176.000 -1.473 0.000 0.982 332 Q CA -0.903 54.112 55.803 -1.314 0.000 0.805 332 Q CB 1.735 30.162 28.738 -0.518 0.000 1.457 332 Q HN 0.539 nan 8.270 nan 0.000 0.394 333 T N -1.039 112.895 114.554 -1.033 0.000 2.926 333 T HA 0.198 4.587 4.350 0.066 0.000 0.307 333 T C 0.277 174.779 174.700 -0.330 0.000 1.059 333 T CA 0.011 61.800 62.100 -0.519 0.000 1.122 333 T CB 0.867 69.614 68.868 -0.201 0.000 0.972 333 T HN 0.755 nan 8.240 nan 0.000 0.545 334 E N 0.621 120.693 120.200 -0.213 0.000 2.572 334 E HA 0.293 4.683 4.350 0.066 0.000 0.220 334 E C 0.053 176.592 176.600 -0.101 0.000 0.945 334 E CA -0.161 56.147 56.400 -0.153 0.000 1.070 334 E CB 0.473 30.088 29.700 -0.141 0.000 1.090 334 E HN 0.560 nan 8.360 nan 0.000 0.506 335 L N 1.394 122.569 121.223 -0.079 0.000 2.332 335 L HA 0.360 4.740 4.340 0.066 0.000 0.269 335 L C 0.242 177.128 176.870 0.028 0.000 1.016 335 L CA -1.006 53.806 54.840 -0.047 0.000 0.809 335 L CB 1.146 43.125 42.059 -0.132 0.000 1.280 335 L HN -0.081 nan 8.230 nan 0.000 0.447 336 Q N 0.102 119.937 119.800 0.059 0.000 2.240 336 Q HA 0.284 4.664 4.340 0.066 0.000 0.260 336 Q C 0.887 176.965 176.000 0.130 0.000 1.018 336 Q CA -0.692 55.160 55.803 0.080 0.000 0.898 336 Q CB 1.858 30.630 28.738 0.056 0.000 1.301 336 Q HN 0.378 nan 8.270 nan 0.000 0.469 337 V N 1.017 121.002 119.914 0.118 0.000 2.407 337 V HA -0.272 3.888 4.120 0.066 0.000 0.248 337 V C 1.983 178.143 176.094 0.110 0.000 1.055 337 V CA 2.004 64.377 62.300 0.121 0.000 1.049 337 V CB -0.378 31.512 31.823 0.112 0.000 0.662 337 V HN 0.717 nan 8.190 nan 0.000 0.455 338 E N -0.196 120.061 120.200 0.095 0.000 2.058 338 E HA -0.237 4.153 4.350 0.066 0.000 0.194 338 E C 2.011 178.678 176.600 0.111 0.000 0.997 338 E CA 1.553 58.004 56.400 0.085 0.000 0.801 338 E CB -0.198 29.538 29.700 0.060 0.000 0.746 338 E HN 0.648 nan 8.360 nan 0.000 0.450 339 D N 0.289 120.766 120.400 0.129 0.000 2.097 339 D HA -0.106 4.574 4.640 0.066 0.000 0.195 339 D C 2.156 178.618 176.300 0.271 0.000 0.989 339 D CA 1.011 55.112 54.000 0.170 0.000 0.827 339 D CB -0.195 40.691 40.800 0.143 0.000 0.966 339 D HN 0.003 nan 8.370 nan 0.000 0.456 340 S N 0.411 116.288 115.700 0.295 0.000 2.365 340 S HA -0.179 4.331 4.470 0.066 0.000 0.225 340 S C 2.363 177.028 174.600 0.109 0.000 1.039 340 S CA 0.878 59.139 58.200 0.101 0.000 1.033 340 S CB -0.469 62.744 63.200 0.021 0.000 0.887 340 S HN 0.373 nan 8.310 nan 0.000 0.447 341 C N 1.429 120.824 119.300 0.158 0.000 2.429 341 C HA -0.026 4.474 4.460 0.066 0.000 0.277 341 C C 2.639 177.796 174.990 0.277 0.000 1.262 341 C CA 0.558 59.726 59.018 0.250 0.000 1.733 341 C CB -0.986 26.886 27.740 0.221 0.000 2.010 341 C HN 0.582 nan 8.230 nan 0.000 0.483 342 K N 0.718 121.241 120.400 0.204 0.000 2.026 342 K HA -0.142 4.217 4.320 0.066 0.000 0.208 342 K C 1.605 178.363 176.600 0.263 0.000 1.048 342 K CA 1.716 58.134 56.287 0.218 0.000 0.929 342 K CB -0.262 32.330 32.500 0.153 0.000 0.713 342 K HN 0.441 nan 8.250 nan 0.000 0.439 343 D N 0.908 121.450 120.400 0.237 0.000 2.117 343 D HA -0.160 4.520 4.640 0.066 0.000 0.197 343 D C 1.837 178.293 176.300 0.259 0.000 0.987 343 D CA 0.839 54.981 54.000 0.236 0.000 0.829 343 D CB -0.208 40.769 40.800 0.294 0.000 0.961 343 D HN 0.047 nan 8.370 nan 0.000 0.460 344 L N -0.074 121.309 121.223 0.267 0.000 2.093 344 L HA -0.067 4.313 4.340 0.066 0.000 0.208 344 L C 2.045 179.168 176.870 0.421 0.000 1.085 344 L CA 1.547 56.584 54.840 0.329 0.000 0.755 344 L CB -0.694 41.526 42.059 0.269 0.000 0.904 344 L HN 0.218 nan 8.230 nan 0.000 0.435 345 W N 0.779 122.202 121.300 0.204 0.000 2.374 345 W HA -0.237 4.463 4.660 0.066 0.000 0.288 345 W C 2.353 178.903 176.519 0.051 0.000 1.218 345 W CA 1.527 58.934 57.345 0.103 0.000 1.245 345 W CB 0.132 29.580 29.460 -0.019 0.000 1.126 345 W HN 0.298 nan 8.180 nan 0.000 0.545 346 K N 0.527 120.943 120.400 0.028 0.000 2.025 346 K HA -0.256 4.104 4.320 0.066 0.000 0.207 346 K C 2.159 178.701 176.600 -0.096 0.000 1.049 346 K CA 1.853 58.082 56.287 -0.096 0.000 0.933 346 K CB -1.241 31.293 32.500 0.055 0.000 0.714 346 K HN 0.285 nan 8.250 nan 0.000 0.438 347 W N 1.828 123.062 121.300 -0.111 0.000 2.342 347 W HA -0.197 4.502 4.660 0.066 0.000 0.297 347 W C 1.164 177.553 176.519 -0.217 0.000 1.213 347 W CA 1.719 58.993 57.345 -0.118 0.000 1.251 347 W CB -0.466 28.973 29.460 -0.036 0.000 1.136 347 W HN 0.059 nan 8.180 nan 0.000 0.526 348 T N 1.043 115.304 114.554 -0.488 0.000 2.708 348 T HA -0.241 4.149 4.350 0.066 0.000 0.266 348 T C 1.903 176.137 174.700 -0.777 0.000 1.037 348 T CA 3.212 64.904 62.100 -0.680 0.000 1.146 348 T CB -0.914 67.759 68.868 -0.324 0.000 0.865 348 T HN 0.343 nan 8.240 nan 0.000 0.435 349 T N 0.891 114.905 114.554 -0.901 0.000 2.821 349 T HA -0.045 4.345 4.350 0.066 0.000 0.267 349 T C 1.770 176.163 174.700 -0.511 0.000 1.046 349 T CA 0.822 62.443 62.100 -0.798 0.000 1.139 349 T CB -0.188 68.128 68.868 -0.920 0.000 0.871 349 T HN 0.194 nan 8.240 nan 0.000 0.454 350 E N 2.172 122.105 120.200 -0.445 0.000 2.158 350 E HA 0.049 4.439 4.350 0.066 0.000 0.191 350 E C 0.488 176.858 176.600 -0.384 0.000 0.982 350 E CA 0.654 56.865 56.400 -0.315 0.000 0.823 350 E CB -0.050 29.536 29.700 -0.190 0.000 0.766 350 E HN 0.661 nan 8.360 nan 0.000 0.468 351 N N 0.920 119.250 118.700 -0.616 0.000 2.733 351 N HA 0.117 4.897 4.740 0.066 0.000 0.271 351 N C -2.234 172.818 175.510 -0.763 0.000 1.720 351 N CA -0.926 51.708 53.050 -0.693 0.000 0.803 351 N CB 1.651 39.495 38.487 -1.071 0.000 1.208 351 N HN -0.043 nan 8.380 nan 0.000 0.498 352 P HA -0.131 nan 4.420 nan 0.000 0.217 352 P C 0.578 177.372 177.300 -0.843 0.000 1.148 352 P CA 1.277 63.930 63.100 -0.745 0.000 0.828 352 P CB 0.047 31.271 31.700 -0.792 0.000 0.783 353 F N -1.091 118.691 119.950 -0.281 0.000 2.641 353 F HA 0.405 4.972 4.527 0.066 0.000 0.302 353 F C 1.788 177.463 175.800 -0.208 0.000 1.098 353 F CA 0.379 58.264 58.000 -0.192 0.000 1.318 353 F CB -0.017 38.912 39.000 -0.119 0.000 1.035 353 F HN 0.053 nan 8.300 nan 0.000 0.551 354 G N 0.331 108.954 108.800 -0.295 0.000 2.593 354 G HA2 -0.348 3.652 3.960 0.066 0.000 0.237 354 G HA3 -0.348 3.652 3.960 0.066 0.000 0.237 354 G C 0.340 175.126 174.900 -0.190 0.000 1.312 354 G CA 0.116 45.017 45.100 -0.332 0.000 0.896 354 G HN 0.253 nan 8.290 nan 0.000 0.574 355 Y N 0.822 121.208 120.300 0.143 0.000 2.314 355 Y HA 0.068 4.657 4.550 0.066 0.000 0.293 355 Y C 2.165 178.115 175.900 0.083 0.000 1.129 355 Y CA 1.411 59.584 58.100 0.122 0.000 1.201 355 Y CB 0.002 38.538 38.460 0.127 0.000 0.999 355 Y HN 0.283 nan 8.280 nan 0.000 0.541 356 Q N 1.472 121.406 119.800 0.223 0.000 2.304 356 Q HA 0.336 4.716 4.340 0.066 0.000 0.260 356 Q C -0.847 175.216 176.000 0.106 0.000 0.965 356 Q CA 0.411 56.302 55.803 0.146 0.000 0.898 356 Q CB 1.235 30.042 28.738 0.115 0.000 1.196 356 Q HN 0.351 nan 8.270 nan 0.000 0.402 357 L N 2.299 123.577 121.223 0.092 0.000 2.408 357 L HA 0.515 4.895 4.340 0.066 0.000 0.268 357 L C 0.155 177.061 176.870 0.061 0.000 0.986 357 L CA -0.874 54.016 54.840 0.083 0.000 0.820 357 L CB 2.073 44.232 42.059 0.167 0.000 1.303 357 L HN 0.365 nan 8.230 nan 0.000 0.411 358 R N 1.147 121.657 120.500 0.017 0.000 2.491 358 R HA 0.397 4.777 4.340 0.066 0.000 0.283 358 R C 0.943 177.310 176.300 0.111 0.000 1.072 358 R CA 0.710 56.819 56.100 0.015 0.000 1.048 358 R CB 0.533 30.812 30.300 -0.036 0.000 0.983 358 R HN 0.977 nan 8.270 nan 0.000 0.450 359 G N 0.947 109.750 108.800 0.006 0.000 2.175 359 G HA2 -0.234 3.766 3.960 0.066 0.000 0.244 359 G HA3 -0.234 3.766 3.960 0.066 0.000 0.244 359 G C -0.211 174.493 174.900 -0.327 0.000 0.982 359 G CA -0.194 44.815 45.100 -0.153 0.000 0.641 359 G HN 0.439 nan 8.290 nan 0.000 0.527 360 V N 1.069 120.912 119.914 -0.118 0.000 2.531 360 V HA 0.768 4.928 4.120 0.066 0.000 0.301 360 V C -0.556 175.506 176.094 -0.054 0.000 1.034 360 V CA -0.872 61.372 62.300 -0.094 0.000 0.865 360 V CB 1.846 33.688 31.823 0.032 0.000 0.995 360 V HN 0.278 nan 8.190 nan 0.000 0.424 361 E N 2.481 122.641 120.200 -0.066 0.000 2.393 361 E HA 0.880 5.270 4.350 0.066 0.000 0.273 361 E C -0.697 175.882 176.600 -0.035 0.000 0.918 361 E CA -0.686 55.686 56.400 -0.048 0.000 0.773 361 E CB 2.893 32.553 29.700 -0.067 0.000 1.275 361 E HN 0.787 nan 8.360 nan 0.000 0.451 362 A N 1.402 124.194 122.820 -0.048 0.000 2.498 362 A HA 0.859 5.219 4.320 0.066 0.000 0.298 362 A C -0.843 176.640 177.584 -0.167 0.000 1.075 362 A CA -0.786 51.210 52.037 -0.068 0.000 0.714 362 A CB 1.654 20.620 19.000 -0.058 0.000 1.299 362 A HN 0.653 nan 8.150 nan 0.000 0.407 363 R N -0.057 120.323 120.500 -0.201 0.000 2.739 363 R HA 0.730 5.110 4.340 0.066 0.000 0.271 363 R C -1.676 174.373 176.300 -0.419 0.000 1.010 363 R CA -0.748 55.159 56.100 -0.320 0.000 0.897 363 R CB 0.818 31.031 30.300 -0.145 0.000 1.236 363 R HN 0.396 nan 8.270 nan 0.000 0.466 364 F N 1.095 120.913 119.950 -0.220 0.000 2.471 364 F HA 0.138 4.705 4.527 0.066 0.000 0.353 364 F C 1.439 177.003 175.800 -0.392 0.000 1.113 364 F CA 0.385 58.207 58.000 -0.298 0.000 1.262 364 F CB 1.561 40.396 39.000 -0.275 0.000 1.146 364 F HN 0.834 nan 8.300 nan 0.000 0.578 365 S N 0.459 115.968 115.700 -0.320 0.000 2.603 365 S HA 0.634 5.144 4.470 0.066 0.000 0.232 365 S C 0.282 174.691 174.600 -0.319 0.000 1.016 365 S CA 0.171 57.946 58.200 -0.707 0.000 0.976 365 S CB 0.203 62.394 63.200 -1.682 0.000 0.921 365 S HN 0.705 nan 8.310 nan 0.000 0.516 366 A N 1.511 124.236 122.820 -0.158 0.000 3.955 366 A HA 0.777 5.137 4.320 0.066 0.000 0.175 366 A C -1.238 176.274 177.584 -0.120 0.000 0.682 366 A CA -0.706 51.270 52.037 -0.103 0.000 0.834 366 A CB -0.172 18.786 19.000 -0.070 0.000 1.657 366 A HN 0.330 nan 8.150 nan 0.000 0.820 367 E N 1.416 121.529 120.200 -0.145 0.000 2.390 367 E HA 0.352 4.741 4.350 0.066 0.000 0.261 367 E C -0.741 175.623 176.600 -0.394 0.000 1.076 367 E CA -0.270 56.010 56.400 -0.199 0.000 0.905 367 E CB 0.310 29.911 29.700 -0.165 0.000 0.984 367 E HN 0.475 nan 8.360 nan 0.000 0.427 368 D N 1.473 121.627 120.400 -0.409 0.000 2.525 368 D HA -0.138 4.542 4.640 0.066 0.000 0.235 368 D C 0.259 175.989 176.300 -0.950 0.000 1.137 368 D CA 0.818 54.405 54.000 -0.688 0.000 0.868 368 D CB 0.297 40.893 40.800 -0.340 0.000 1.180 368 D HN 0.604 nan 8.370 nan 0.000 0.465 369 M N -0.087 118.370 119.600 -1.906 0.000 2.908 369 M HA -0.312 4.208 4.480 0.066 0.000 0.191 369 M C 0.238 176.155 176.300 -0.638 0.000 0.619 369 M CA 0.687 55.314 55.300 -1.121 0.000 0.709 369 M CB -1.210 31.242 32.600 -0.247 0.000 2.554 369 M HN 0.476 nan 8.290 nan 0.000 0.356 370 R N 0.606 120.679 120.500 -0.711 0.000 2.408 370 R HA 0.211 4.591 4.340 0.066 0.000 0.308 370 R C 0.359 176.622 176.300 -0.060 0.000 1.210 370 R CA -0.189 55.786 56.100 -0.209 0.000 1.115 370 R CB 0.295 30.503 30.300 -0.152 0.000 1.127 370 R HN 0.234 nan 8.270 nan 0.000 0.523 371 Y N 1.196 121.494 120.300 -0.003 0.000 2.421 371 Y HA -0.195 4.395 4.550 0.067 0.000 0.292 371 Y C 1.785 177.562 175.900 -0.205 0.000 1.136 371 Y CA 1.484 59.412 58.100 -0.287 0.000 1.255 371 Y CB 0.154 37.859 38.460 -1.260 0.000 0.991 371 Y HN 0.652 nan 8.280 nan 0.000 0.552 372 D N -0.616 119.862 120.400 0.131 0.000 2.340 372 D HA 0.124 4.804 4.640 0.066 0.000 0.220 372 D C 0.401 176.799 176.300 0.165 0.000 1.039 372 D CA 0.427 54.566 54.000 0.231 0.000 0.866 372 D CB -0.094 40.903 40.800 0.328 0.000 0.913 372 D HN 0.126 nan 8.370 nan 0.000 0.523 373 A N 0.722 123.605 122.820 0.104 0.000 3.105 373 A HA 0.557 4.917 4.320 0.066 0.000 0.336 373 A C -0.173 177.429 177.584 0.030 0.000 1.042 373 A CA -0.786 51.292 52.037 0.067 0.000 0.851 373 A CB 0.204 19.213 19.000 0.015 0.000 1.068 373 A HN 0.022 nan 8.150 nan 0.000 0.477 374 R N 0.015 120.565 120.500 0.082 0.000 2.854 374 R HA 0.696 5.076 4.340 0.066 0.000 0.271 374 R C -1.546 174.921 176.300 0.280 0.000 0.994 374 R CA -0.714 55.403 56.100 0.029 0.000 0.945 374 R CB 1.650 31.939 30.300 -0.019 0.000 1.194 374 R HN 0.373 nan 8.270 nan 0.000 0.476 375 F N 1.280 121.224 119.950 -0.010 0.000 2.375 375 F HA 0.371 4.937 4.527 0.066 0.000 0.361 375 F C -0.191 175.598 175.800 -0.018 0.000 1.117 375 F CA -1.219 56.773 58.000 -0.013 0.000 1.037 375 F CB 1.725 40.702 39.000 -0.038 0.000 1.192 375 F HN 0.036 nan 8.300 nan 0.000 0.452 376 V N 3.211 123.258 119.914 0.221 0.000 2.398 376 V HA 0.481 4.641 4.120 0.066 0.000 0.286 376 V C 0.018 176.139 176.094 0.044 0.000 1.026 376 V CA -0.501 61.882 62.300 0.137 0.000 0.868 376 V CB 1.939 33.886 31.823 0.206 0.000 0.982 376 V HN 0.715 nan 8.190 nan 0.000 0.443 377 T N 6.528 121.056 114.554 -0.043 0.000 2.794 377 T HA 0.645 5.035 4.350 0.066 0.000 0.280 377 T C -0.223 174.376 174.700 -0.168 0.000 0.987 377 T CA -0.171 61.834 62.100 -0.158 0.000 0.993 377 T CB 0.996 69.754 68.868 -0.183 0.000 0.939 377 T HN 0.660 nan 8.240 nan 0.000 0.449 378 I N -0.756 119.682 120.570 -0.220 0.000 2.530 378 I HA 0.770 4.980 4.170 0.066 0.000 0.297 378 I C 0.785 176.560 176.117 -0.569 0.000 1.011 378 I CA -0.628 60.461 61.300 -0.352 0.000 1.107 378 I CB 1.462 39.419 38.000 -0.073 0.000 1.285 378 I HN 0.788 nan 8.210 nan 0.000 0.436 379 G N 3.580 111.724 108.800 -1.094 0.000 2.136 379 G HA2 -0.154 3.846 3.960 0.066 0.000 0.242 379 G HA3 -0.154 3.846 3.960 0.066 0.000 0.242 379 G C 0.412 175.061 174.900 -0.418 0.000 0.989 379 G CA 0.015 44.697 45.100 -0.697 0.000 0.682 379 G HN 1.440 nan 8.290 nan 0.000 0.522 380 A N -0.241 122.324 122.820 -0.426 0.000 2.540 380 A HA 0.618 4.978 4.320 0.066 0.000 0.239 380 A C 2.077 179.559 177.584 -0.171 0.000 1.061 380 A CA 1.846 53.731 52.037 -0.253 0.000 0.758 380 A CB -0.090 18.787 19.000 -0.206 0.000 0.991 380 A HN 2.397 nan 8.150 nan 0.000 0.502 381 G N 1.494 110.220 108.800 -0.123 0.000 2.153 381 G HA2 -0.143 3.857 3.960 0.066 0.000 0.252 381 G HA3 -0.143 3.857 3.960 0.066 0.000 0.252 381 G C 0.507 175.377 174.900 -0.050 0.000 0.994 381 G CA 1.439 46.495 45.100 -0.075 0.000 0.698 381 G HN 2.259 nan 8.290 nan 0.000 0.521 382 T N -3.634 110.885 114.554 -0.058 0.000 2.841 382 T HA 0.663 5.053 4.350 0.066 0.000 0.276 382 T C 1.436 176.140 174.700 0.007 0.000 1.003 382 T CA 0.101 62.198 62.100 -0.005 0.000 0.995 382 T CB 1.200 70.089 68.868 0.035 0.000 1.260 382 T HN 0.565 nan 8.240 nan 0.000 0.581 383 R N -0.372 120.160 120.500 0.054 0.000 2.339 383 R HA 0.180 4.560 4.340 0.066 0.000 0.199 383 R C -0.511 175.887 176.300 0.163 0.000 1.018 383 R CA 0.247 56.392 56.100 0.074 0.000 1.036 383 R CB -0.368 29.972 30.300 0.068 0.000 0.899 383 R HN 0.453 nan 8.270 nan 0.000 0.473 384 F N 2.128 122.050 119.950 -0.045 0.000 3.034 384 F HA 0.334 4.901 4.527 0.066 0.000 0.371 384 F C -1.495 174.253 175.800 -0.086 0.000 1.233 384 F CA -1.014 56.951 58.000 -0.059 0.000 1.134 384 F CB 1.490 40.494 39.000 0.006 0.000 1.495 384 F HN -0.079 nan 8.300 nan 0.000 0.563 385 Q N 4.536 124.042 119.800 -0.489 0.000 2.333 385 Q HA 0.818 5.198 4.340 0.066 0.000 0.265 385 Q C -0.822 174.765 176.000 -0.688 0.000 0.989 385 Q CA -0.996 54.507 55.803 -0.500 0.000 0.842 385 Q CB 2.230 30.776 28.738 -0.321 0.000 1.262 385 Q HN 0.637 nan 8.270 nan 0.000 0.451 386 A N 2.311 124.721 122.820 -0.682 0.000 2.318 386 A HA 0.676 5.036 4.320 0.066 0.000 0.317 386 A C -0.546 176.480 177.584 -0.930 0.000 1.159 386 A CA -0.571 50.968 52.037 -0.830 0.000 0.799 386 A CB 1.182 19.737 19.000 -0.741 0.000 1.194 386 A HN 0.585 nan 8.150 nan 0.000 0.479 387 T N 2.615 116.584 114.554 -0.975 0.000 2.779 387 T HA 0.656 5.045 4.350 0.066 0.000 0.280 387 T C -0.840 173.276 174.700 -0.974 0.000 0.987 387 T CA 0.166 61.807 62.100 -0.765 0.000 0.966 387 T CB 0.181 68.772 68.868 -0.462 0.000 0.933 387 T HN 0.376 nan 8.240 nan 0.000 0.442 388 F N 1.028 120.835 119.950 -0.237 0.000 2.577 388 F HA 0.770 5.337 4.527 0.066 0.000 0.318 388 F C 0.306 175.989 175.800 -0.194 0.000 1.065 388 F CA -1.246 56.585 58.000 -0.281 0.000 0.929 388 F CB 1.634 40.544 39.000 -0.151 0.000 1.237 388 F HN 0.617 nan 8.300 nan 0.000 0.468 389 A N 1.340 124.087 122.820 -0.123 0.000 2.355 389 A HA 0.495 4.855 4.320 0.066 0.000 0.324 389 A C 0.055 177.587 177.584 -0.085 0.000 1.117 389 A CA -0.743 51.301 52.037 0.012 0.000 0.785 389 A CB 0.911 19.837 19.000 -0.124 0.000 1.254 389 A HN 0.885 nan 8.150 nan 0.000 0.453 390 N N -0.142 118.647 118.700 0.148 0.000 2.166 390 N HA -0.090 4.690 4.740 0.066 0.000 0.186 390 N C 0.512 176.076 175.510 0.089 0.000 1.019 390 N CA 0.693 53.839 53.050 0.161 0.000 0.856 390 N CB -0.288 38.374 38.487 0.291 0.000 0.993 390 N HN 0.575 nan 8.380 nan 0.000 0.426 391 L N 0.776 122.053 121.223 0.091 0.000 2.530 391 L HA 0.209 4.588 4.340 0.066 0.000 0.273 391 L C 1.106 177.991 176.870 0.026 0.000 1.141 391 L CA 0.429 55.323 54.840 0.090 0.000 0.905 391 L CB -0.388 41.723 42.059 0.086 0.000 1.202 391 L HN 0.429 nan 8.230 nan 0.000 0.473 392 G N 3.830 112.725 108.800 0.158 0.000 2.175 392 G HA2 -0.170 3.830 3.960 0.066 0.000 0.265 392 G HA3 -0.170 3.830 3.960 0.066 0.000 0.265 392 G C 0.879 175.629 174.900 -0.250 0.000 0.979 392 G CA 0.434 45.623 45.100 0.148 0.000 0.663 392 G HN 2.135 nan 8.290 nan 0.000 0.533 393 A N -1.708 120.726 122.820 -0.644 0.000 2.704 393 A HA 0.005 4.365 4.320 0.066 0.000 0.299 393 A C 1.186 178.536 177.584 -0.390 0.000 1.507 393 A CA 1.820 53.265 52.037 -0.985 0.000 0.776 393 A CB -1.906 16.169 19.000 -1.540 0.000 1.027 393 A HN 1.973 nan 8.150 nan 0.000 0.475 394 S N -0.889 114.642 115.700 -0.281 0.000 2.576 394 S HA 0.469 4.978 4.470 0.066 0.000 0.276 394 S C 0.519 175.020 174.600 -0.165 0.000 1.339 394 S CA -0.023 58.072 58.200 -0.174 0.000 1.039 394 S CB 0.723 63.747 63.200 -0.293 0.000 0.902 394 S HN 0.468 nan 8.310 nan 0.000 0.516 395 I N 3.204 123.721 120.570 -0.088 0.000 2.269 395 I HA 0.081 4.291 4.170 0.066 0.000 0.293 395 I C 0.988 176.944 176.117 -0.268 0.000 1.106 395 I CA -0.266 60.925 61.300 -0.182 0.000 1.248 395 I CB 0.447 38.407 38.000 -0.067 0.000 1.444 395 I HN 0.451 nan 8.210 nan 0.000 0.497 396 V N 4.085 123.730 119.914 -0.449 0.000 2.358 396 V HA -0.107 4.053 4.120 0.066 0.000 0.246 396 V C 0.592 176.504 176.094 -0.303 0.000 1.047 396 V CA 1.654 63.690 62.300 -0.441 0.000 1.035 396 V CB -0.490 30.830 31.823 -0.838 0.000 0.658 396 V HN 0.783 nan 8.190 nan 0.000 0.452 397 D N -2.133 118.034 120.400 -0.388 0.000 2.648 397 D HA 0.455 5.135 4.640 0.066 0.000 0.244 397 D C -1.578 174.490 176.300 -0.387 0.000 1.244 397 D CA -0.402 53.409 54.000 -0.316 0.000 0.772 397 D CB 1.705 42.349 40.800 -0.260 0.000 1.379 397 D HN -0.016 nan 8.370 nan 0.000 0.428 398 L N 2.026 123.067 121.223 -0.304 0.000 2.441 398 L HA 0.485 4.865 4.340 0.066 0.000 0.270 398 L C -0.428 176.262 176.870 -0.301 0.000 0.973 398 L CA -0.662 53.977 54.840 -0.335 0.000 0.842 398 L CB 1.899 43.868 42.059 -0.150 0.000 1.239 398 L HN 0.107 nan 8.230 nan 0.000 0.406 399 K N 3.121 123.319 120.400 -0.337 0.000 2.358 399 K HA 0.619 4.979 4.320 0.066 0.000 0.260 399 K C -1.128 175.384 176.600 -0.146 0.000 0.956 399 K CA -0.675 55.478 56.287 -0.224 0.000 0.834 399 K CB 2.948 35.335 32.500 -0.187 0.000 1.102 399 K HN 0.201 nan 8.250 nan 0.000 0.431 400 V N 4.147 123.987 119.914 -0.124 0.000 2.370 400 V HA 0.120 4.280 4.120 0.066 0.000 0.283 400 V C 0.067 176.145 176.094 -0.026 0.000 1.023 400 V CA -0.867 61.407 62.300 -0.042 0.000 0.857 400 V CB 1.082 32.780 31.823 -0.209 0.000 0.985 400 V HN 0.868 nan 8.190 nan 0.000 0.443 401 N N 4.256 122.965 118.700 0.015 0.000 2.721 401 N HA -0.223 4.557 4.740 0.066 0.000 0.249 401 N C 1.197 176.696 175.510 -0.020 0.000 1.072 401 N CA 1.480 54.532 53.050 0.004 0.000 0.710 401 N CB -1.087 37.406 38.487 0.009 0.000 0.993 401 N HN 1.487 nan 8.380 nan 0.000 0.547 402 G N -0.831 107.947 108.800 -0.036 0.000 2.179 402 G HA2 -0.363 3.637 3.960 0.066 0.000 0.260 402 G HA3 -0.363 3.637 3.960 0.066 0.000 0.260 402 G C -0.171 174.691 174.900 -0.062 0.000 0.977 402 G CA 0.723 45.792 45.100 -0.051 0.000 0.641 402 G HN 0.703 nan 8.290 nan 0.000 0.533 403 Q N 0.748 120.507 119.800 -0.068 0.000 2.333 403 Q HA 0.610 4.990 4.340 0.066 0.000 0.265 403 Q C 0.261 176.198 176.000 -0.104 0.000 0.989 403 Q CA -0.143 55.615 55.803 -0.076 0.000 0.842 403 Q CB 1.227 29.929 28.738 -0.061 0.000 1.262 403 Q HN 0.361 nan 8.270 nan 0.000 0.451 404 S N 2.506 118.144 115.700 -0.104 0.000 2.537 404 S HA 0.094 4.604 4.470 0.066 0.000 0.286 404 S C 0.609 175.146 174.600 -0.106 0.000 1.299 404 S CA -0.056 58.071 58.200 -0.122 0.000 1.067 404 S CB 0.488 63.623 63.200 -0.109 0.000 0.864 404 S HN 0.624 nan 8.310 nan 0.000 0.494 405 V N 3.204 123.050 119.914 -0.114 0.000 3.380 405 V HA 0.455 4.615 4.120 0.066 0.000 0.307 405 V C 0.115 176.198 176.094 -0.018 0.000 1.434 405 V CA 0.222 62.500 62.300 -0.037 0.000 1.075 405 V CB -0.501 31.311 31.823 -0.019 0.000 0.954 405 V HN 0.755 nan 8.190 nan 0.000 0.444 406 V N -2.235 117.602 119.914 -0.129 0.000 3.040 406 V HA 0.673 4.832 4.120 0.066 0.000 0.312 406 V C -0.355 175.597 176.094 -0.237 0.000 1.115 406 V CA -1.102 61.054 62.300 -0.240 0.000 0.998 406 V CB 2.185 33.813 31.823 -0.325 0.000 1.042 406 V HN 0.203 nan 8.190 nan 0.000 0.433 407 L N 2.223 123.261 121.223 -0.307 0.000 2.418 407 L HA 0.903 5.283 4.340 0.066 0.000 0.265 407 L C 0.836 177.518 176.870 -0.313 0.000 1.143 407 L CA 0.546 55.148 54.840 -0.395 0.000 0.809 407 L CB 1.041 42.632 42.059 -0.780 0.000 1.124 407 L HN 1.140 nan 8.230 nan 0.000 0.456 408 G N 0.551 109.173 108.800 -0.297 0.000 2.548 408 G HA2 0.502 4.502 3.960 0.066 0.000 0.301 408 G HA3 0.502 4.502 3.960 0.066 0.000 0.301 408 G C -2.200 172.457 174.900 -0.405 0.000 1.349 408 G CA -0.475 44.464 45.100 -0.268 0.000 0.792 408 G HN 0.339 nan 8.290 nan 0.000 0.481 409 Y N -0.933 119.333 120.300 -0.057 0.000 2.562 409 Y HA 0.533 5.123 4.550 0.066 0.000 0.343 409 Y C 1.245 177.273 175.900 0.213 0.000 1.025 409 Y CA -0.693 57.366 58.100 -0.069 0.000 1.082 409 Y CB 2.457 40.665 38.460 -0.420 0.000 1.264 409 Y HN 0.629 nan 8.280 nan 0.000 0.478 410 E N 0.796 121.191 120.200 0.324 0.000 2.204 410 E HA -0.068 4.322 4.350 0.066 0.000 0.194 410 E C -0.367 176.471 176.600 0.397 0.000 0.989 410 E CA 1.248 57.824 56.400 0.294 0.000 0.824 410 E CB 0.166 29.956 29.700 0.150 0.000 0.756 410 E HN 0.582 nan 8.360 nan 0.000 0.477 411 N N -1.650 117.293 118.700 0.405 0.000 3.204 411 N HA 0.108 4.888 4.740 0.066 0.000 0.285 411 N C 0.063 175.855 175.510 0.470 0.000 1.536 411 N CA -0.435 52.774 53.050 0.266 0.000 0.832 411 N CB 0.607 39.121 38.487 0.046 0.000 1.645 411 N HN -0.096 nan 8.380 nan 0.000 0.586 412 E N 0.846 121.198 120.200 0.253 0.000 2.204 412 E HA -0.165 4.225 4.350 0.066 0.000 0.194 412 E C 1.064 177.790 176.600 0.209 0.000 0.989 412 E CA 0.827 57.430 56.400 0.338 0.000 0.824 412 E CB 0.230 30.021 29.700 0.152 0.000 0.756 412 E HN 0.541 nan 8.360 nan 0.000 0.477 413 E N 0.532 120.778 120.200 0.076 0.000 2.070 413 E HA -0.209 4.180 4.350 0.066 0.000 0.197 413 E C 2.185 178.691 176.600 -0.157 0.000 1.004 413 E CA 1.353 57.738 56.400 -0.024 0.000 0.805 413 E CB -0.219 29.458 29.700 -0.040 0.000 0.744 413 E HN 0.292 nan 8.360 nan 0.000 0.451 414 G N -0.628 107.996 108.800 -0.293 0.000 2.442 414 G HA2 -0.265 3.735 3.960 0.066 0.000 0.219 414 G HA3 -0.265 3.735 3.960 0.066 0.000 0.219 414 G C 1.108 175.236 174.900 -1.286 0.000 1.141 414 G CA 1.030 45.555 45.100 -0.959 0.000 0.763 414 G HN 0.328 nan 8.290 nan 0.000 0.554 415 Y N 0.114 120.156 120.300 -0.429 0.000 2.373 415 Y HA 0.152 4.742 4.550 0.066 0.000 0.293 415 Y C 2.510 178.393 175.900 -0.029 0.000 1.129 415 Y CA 0.466 58.520 58.100 -0.076 0.000 1.226 415 Y CB 0.003 38.564 38.460 0.168 0.000 1.000 415 Y HN 0.073 nan 8.280 nan 0.000 0.549 416 L N 0.124 121.380 121.223 0.054 0.000 2.599 416 L HA -0.044 4.335 4.340 0.066 0.000 0.230 416 L C 0.814 177.673 176.870 -0.020 0.000 1.141 416 L CA -0.185 54.678 54.840 0.039 0.000 0.877 416 L CB -0.443 41.636 42.059 0.034 0.000 1.009 416 L HN 0.179 nan 8.230 nan 0.000 0.447 417 N N 1.604 120.238 118.700 -0.110 0.000 2.293 417 N HA -0.072 4.708 4.740 0.066 0.000 0.253 417 N C -1.688 173.801 175.510 -0.036 0.000 1.248 417 N CA -0.743 52.244 53.050 -0.104 0.000 0.845 417 N CB 1.236 39.619 38.487 -0.173 0.000 1.073 417 N HN -0.096 nan 8.380 nan 0.000 0.464 418 P HA 0.007 nan 4.420 nan 0.000 0.233 418 P C -0.107 177.187 177.300 -0.010 0.000 1.167 418 P CA 0.841 63.941 63.100 0.001 0.000 0.770 418 P CB 0.203 31.905 31.700 0.004 0.000 0.837 419 D N -0.469 119.916 120.400 -0.025 0.000 3.071 419 D HA 0.076 4.756 4.640 0.066 0.000 0.259 419 D C -0.113 176.161 176.300 -0.044 0.000 1.331 419 D CA -0.433 53.556 54.000 -0.019 0.000 0.861 419 D CB -0.527 40.274 40.800 0.002 0.000 1.059 419 D HN -0.216 nan 8.370 nan 0.000 0.486 420 S N -0.240 115.386 115.700 -0.122 0.000 2.558 420 S HA 0.242 4.752 4.470 0.066 0.000 0.291 420 S C 1.088 175.530 174.600 -0.264 0.000 1.306 420 S CA 0.216 58.266 58.200 -0.249 0.000 1.056 420 S CB 0.742 63.630 63.200 -0.519 0.000 0.836 420 S HN 0.445 nan 8.310 nan 0.000 0.504 421 A N 4.295 127.058 122.820 -0.094 0.000 2.430 421 A HA 0.401 4.761 4.320 0.066 0.000 0.243 421 A C 0.174 177.912 177.584 0.258 0.000 1.254 421 A CA -0.229 51.888 52.037 0.134 0.000 0.914 421 A CB -0.490 18.569 19.000 0.098 0.000 0.998 421 A HN 1.117 nan 8.150 nan 0.000 0.515 422 Y N -1.494 118.765 120.300 -0.068 0.000 4.177 422 Y HA -0.217 4.373 4.550 0.066 0.000 0.227 422 Y C 0.368 176.350 175.900 0.137 0.000 1.154 422 Y CA 0.187 58.182 58.100 -0.175 0.000 1.887 422 Y CB -2.573 35.557 38.460 -0.549 0.000 1.594 422 Y HN 0.401 nan 8.280 nan 0.000 0.668 423 I N 1.078 121.881 120.570 0.387 0.000 2.828 423 I HA -0.045 4.165 4.170 0.066 0.000 0.292 423 I C 1.642 178.025 176.117 0.443 0.000 1.206 423 I CA 1.620 63.181 61.300 0.436 0.000 1.420 423 I CB 0.026 38.077 38.000 0.084 0.000 1.368 423 I HN 0.648 nan 8.210 nan 0.000 0.556 424 G N 4.442 113.452 108.800 0.350 0.000 2.186 424 G HA2 -0.282 3.718 3.960 0.066 0.000 0.266 424 G HA3 -0.282 3.718 3.960 0.066 0.000 0.266 424 G C 0.433 175.464 174.900 0.218 0.000 0.982 424 G CA 0.310 45.535 45.100 0.208 0.000 0.670 424 G HN 0.992 nan 8.290 nan 0.000 0.533 425 A N -0.565 122.434 122.820 0.298 0.000 2.287 425 A HA 0.749 5.108 4.320 0.066 0.000 0.273 425 A C 0.724 178.466 177.584 0.262 0.000 1.091 425 A CA 0.715 52.919 52.037 0.278 0.000 0.817 425 A CB 0.536 19.770 19.000 0.389 0.000 1.069 425 A HN 0.652 nan 8.150 nan 0.000 0.492 426 T N 2.379 117.080 114.554 0.246 0.000 2.832 426 T HA 0.378 4.768 4.350 0.066 0.000 0.296 426 T C 0.081 174.942 174.700 0.267 0.000 0.968 426 T CA 0.168 62.426 62.100 0.265 0.000 1.107 426 T CB -0.018 69.023 68.868 0.288 0.000 0.916 426 T HN 0.330 nan 8.240 nan 0.000 0.517 427 I N 3.336 123.960 120.570 0.089 0.000 2.359 427 I HA 0.664 4.874 4.170 0.066 0.000 0.294 427 I C 0.827 176.779 176.117 -0.274 0.000 0.987 427 I CA -0.128 61.145 61.300 -0.046 0.000 1.225 427 I CB 0.832 38.722 38.000 -0.182 0.000 1.366 427 I HN 0.805 nan 8.210 nan 0.000 0.466 428 G N 5.593 114.072 108.800 -0.535 0.000 2.547 428 G HA2 0.347 4.347 3.960 0.066 0.000 0.291 428 G HA3 0.347 4.347 3.960 0.066 0.000 0.291 428 G C 0.099 174.230 174.900 -1.282 0.000 1.471 428 G CA -0.684 43.599 45.100 -1.362 0.000 0.798 428 G HN 0.509 nan 8.290 nan 0.000 0.504 429 R N -1.092 118.744 120.500 -1.106 0.000 2.236 429 R HA 0.067 4.447 4.340 0.066 0.000 0.208 429 R C -0.342 175.552 176.300 -0.677 0.000 1.036 429 R CA 0.606 56.060 56.100 -1.078 0.000 1.001 429 R CB 0.262 29.924 30.300 -1.063 0.000 0.896 429 R HN 0.434 nan 8.270 nan 0.000 0.464 430 Y N 0.589 120.584 120.300 -0.508 0.000 2.332 430 Y HA 0.415 5.004 4.550 0.066 0.000 0.326 430 Y C -0.648 175.187 175.900 -0.108 0.000 0.978 430 Y CA -1.070 56.871 58.100 -0.265 0.000 1.205 430 Y CB 1.242 39.642 38.460 -0.100 0.000 1.131 430 Y HN -0.040 nan 8.280 nan 0.000 0.462 431 A N 5.391 128.039 122.820 -0.285 0.000 2.371 431 A HA 0.404 4.763 4.320 0.066 0.000 0.257 431 A C 0.427 178.077 177.584 0.111 0.000 1.089 431 A CA 0.188 52.214 52.037 -0.018 0.000 0.794 431 A CB 0.114 19.046 19.000 -0.113 0.000 1.029 431 A HN 1.032 nan 8.150 nan 0.000 0.488 432 N N -0.778 118.092 118.700 0.283 0.000 5.393 432 N HA -0.165 4.615 4.740 0.066 0.000 0.330 432 N C -0.392 175.098 175.510 -0.033 0.000 0.915 432 N CA 1.036 54.052 53.050 -0.057 0.000 1.070 432 N CB -0.393 38.113 38.487 0.032 0.000 0.848 432 N HN 0.833 nan 8.380 nan 0.000 0.486 433 R N 0.702 121.197 120.500 -0.008 0.000 2.410 433 R HA 0.594 4.974 4.340 0.066 0.000 0.288 433 R C -0.211 176.154 176.300 0.109 0.000 1.051 433 R CA -0.135 55.981 56.100 0.027 0.000 1.021 433 R CB 0.620 30.913 30.300 -0.011 0.000 1.032 433 R HN 0.363 nan 8.270 nan 0.000 0.481 434 I N 1.212 121.810 120.570 0.046 0.000 2.410 434 I HA 0.083 4.293 4.170 0.066 0.000 0.286 434 I C 0.064 176.191 176.117 0.018 0.000 1.009 434 I CA -0.549 60.750 61.300 -0.001 0.000 1.111 434 I CB 2.047 39.984 38.000 -0.106 0.000 1.262 434 I HN 0.568 nan 8.210 nan 0.000 0.443 435 S N 5.828 121.547 115.700 0.031 0.000 2.737 435 S HA -0.033 4.476 4.470 0.066 0.000 0.315 435 S C 0.903 175.515 174.600 0.020 0.000 1.236 435 S CA 0.452 58.668 58.200 0.027 0.000 1.093 435 S CB -0.299 62.918 63.200 0.029 0.000 0.832 435 S HN 0.718 nan 8.310 nan 0.000 0.507 436 K N 3.280 123.686 120.400 0.009 0.000 3.185 436 K HA -0.256 4.104 4.320 0.066 0.000 0.298 436 K C 0.909 177.511 176.600 0.004 0.000 1.178 436 K CA 0.862 57.151 56.287 0.002 0.000 0.882 436 K CB -1.967 30.531 32.500 -0.003 0.000 1.218 436 K HN 1.224 nan 8.250 nan 0.000 0.454 437 G N 0.064 108.873 108.800 0.016 0.000 2.162 437 G HA2 -0.374 3.625 3.960 0.066 0.000 0.260 437 G HA3 -0.374 3.625 3.960 0.066 0.000 0.260 437 G C -0.161 174.766 174.900 0.045 0.000 0.976 437 G CA 1.028 46.141 45.100 0.021 0.000 0.655 437 G HN 0.395 nan 8.290 nan 0.000 0.533 438 K N -0.537 119.894 120.400 0.051 0.000 2.281 438 K HA 0.837 5.197 4.320 0.066 0.000 0.242 438 K C -0.309 176.387 176.600 0.161 0.000 0.971 438 K CA -0.692 55.615 56.287 0.033 0.000 0.834 438 K CB 1.966 34.446 32.500 -0.032 0.000 1.181 438 K HN 0.649 nan 8.250 nan 0.000 0.435 439 F N -2.609 117.338 119.950 -0.005 0.000 2.741 439 F HA 0.586 5.153 4.527 0.066 0.000 0.311 439 F C -1.435 174.432 175.800 0.111 0.000 1.149 439 F CA -0.919 57.092 58.000 0.019 0.000 0.930 439 F CB 1.409 40.392 39.000 -0.028 0.000 1.312 439 F HN 0.350 nan 8.300 nan 0.000 0.450 440 S N 1.576 117.405 115.700 0.215 0.000 2.570 440 S HA 0.889 5.399 4.470 0.066 0.000 0.286 440 S C -1.900 172.907 174.600 0.346 0.000 1.099 440 S CA -0.656 57.633 58.200 0.148 0.000 0.913 440 S CB 2.000 65.228 63.200 0.047 0.000 1.085 440 S HN 0.866 nan 8.310 nan 0.000 0.480 441 L N 0.868 122.304 121.223 0.355 0.000 2.545 441 L HA 0.496 4.876 4.340 0.066 0.000 0.258 441 L C -0.682 176.351 176.870 0.271 0.000 0.942 441 L CA -0.169 54.875 54.840 0.339 0.000 0.855 441 L CB 1.128 43.460 42.059 0.456 0.000 1.374 441 L HN 0.963 nan 8.230 nan 0.000 0.411 442 C N 3.957 123.365 119.300 0.180 0.000 4.235 442 C HA -0.149 4.351 4.460 0.066 0.000 0.301 442 C C 0.979 176.031 174.990 0.102 0.000 1.409 442 C CA 0.669 59.768 59.018 0.135 0.000 2.024 442 C CB -2.546 25.285 27.740 0.152 0.000 1.286 442 C HN 0.914 nan 8.230 nan 0.000 0.746 443 N N -0.366 118.383 118.700 0.082 0.000 2.725 443 N HA -0.182 4.598 4.740 0.066 0.000 0.251 443 N C -0.369 175.137 175.510 -0.007 0.000 1.031 443 N CA 1.686 54.756 53.050 0.034 0.000 0.720 443 N CB -0.299 38.201 38.487 0.022 0.000 0.930 443 N HN 0.788 nan 8.380 nan 0.000 0.543 444 K N 0.155 120.545 120.400 -0.017 0.000 2.464 444 K HA 0.309 4.669 4.320 0.066 0.000 0.253 444 K C -1.282 175.097 176.600 -0.368 0.000 0.933 444 K CA -0.740 55.425 56.287 -0.204 0.000 0.801 444 K CB 1.648 34.011 32.500 -0.228 0.000 1.271 444 K HN -0.107 nan 8.250 nan 0.000 0.430 445 D N 1.850 121.936 120.400 -0.524 0.000 2.193 445 D HA 0.297 4.977 4.640 0.066 0.000 0.244 445 D C -0.877 174.949 176.300 -0.790 0.000 1.064 445 D CA 0.040 53.743 54.000 -0.495 0.000 0.845 445 D CB 0.776 41.398 40.800 -0.297 0.000 1.148 445 D HN 0.239 nan 8.370 nan 0.000 0.464 446 Y N 0.493 120.413 120.300 -0.633 0.000 2.509 446 Y HA 0.417 5.007 4.550 0.066 0.000 0.341 446 Y C 0.276 175.844 175.900 -0.553 0.000 1.038 446 Y CA -1.047 56.619 58.100 -0.722 0.000 1.089 446 Y CB 1.743 39.437 38.460 -1.276 0.000 1.241 446 Y HN 0.089 nan 8.280 nan 0.000 0.468 447 Q N 2.514 122.193 119.800 -0.202 0.000 2.327 447 Q HA 0.559 4.939 4.340 0.066 0.000 0.270 447 Q C -2.069 173.878 176.000 -0.089 0.000 1.022 447 Q CA -0.278 55.448 55.803 -0.129 0.000 0.773 447 Q CB 1.022 29.701 28.738 -0.098 0.000 1.251 447 Q HN 0.733 nan 8.270 nan 0.000 0.457 448 L N 2.371 123.553 121.223 -0.068 0.000 2.360 448 L HA 0.555 4.935 4.340 0.066 0.000 0.271 448 L C 0.159 177.010 176.870 -0.032 0.000 1.057 448 L CA -1.083 53.709 54.840 -0.080 0.000 0.803 448 L CB 1.783 43.773 42.059 -0.116 0.000 1.207 448 L HN 0.589 nan 8.230 nan 0.000 0.445 449 T N 1.772 116.319 114.554 -0.012 0.000 2.829 449 T HA 0.089 4.479 4.350 0.066 0.000 0.293 449 T C 0.173 174.887 174.700 0.023 0.000 0.970 449 T CA -0.277 61.831 62.100 0.013 0.000 1.168 449 T CB 0.425 69.314 68.868 0.034 0.000 0.911 449 T HN 0.196 nan 8.240 nan 0.000 0.535 450 V N 5.532 125.455 119.914 0.016 0.000 2.555 450 V HA 0.168 4.327 4.120 0.066 0.000 0.286 450 V C 1.206 177.317 176.094 0.029 0.000 1.044 450 V CA -0.064 62.246 62.300 0.017 0.000 1.026 450 V CB 0.765 32.592 31.823 0.006 0.000 0.981 450 V HN 1.035 nan 8.190 nan 0.000 0.480 451 N N 3.097 121.818 118.700 0.035 0.000 2.075 451 N HA 0.035 4.815 4.740 0.066 0.000 0.226 451 N C -0.057 175.475 175.510 0.037 0.000 1.343 451 N CA -0.187 52.892 53.050 0.050 0.000 0.881 451 N CB 0.489 39.031 38.487 0.092 0.000 1.100 451 N HN 0.553 nan 8.380 nan 0.000 0.495 452 N N 0.713 119.421 118.700 0.012 0.000 2.549 452 N HA 0.369 5.149 4.740 0.066 0.000 0.281 452 N C 0.556 176.049 175.510 -0.028 0.000 1.084 452 N CA 0.706 53.749 53.050 -0.013 0.000 0.862 452 N CB 1.554 40.020 38.487 -0.035 0.000 1.333 452 N HN 0.315 nan 8.380 nan 0.000 0.523 453 G N 1.937 110.719 108.800 -0.031 0.000 2.622 453 G HA2 -0.350 3.650 3.960 0.066 0.000 0.307 453 G HA3 -0.350 3.650 3.960 0.066 0.000 0.307 453 G C 0.817 175.706 174.900 -0.019 0.000 1.226 453 G CA 0.977 46.058 45.100 -0.032 0.000 0.997 453 G HN 1.040 nan 8.290 nan 0.000 0.551 454 V N -0.866 119.037 119.914 -0.018 0.000 3.596 454 V HA 0.422 4.582 4.120 0.066 0.000 0.289 454 V C 0.644 176.733 176.094 -0.009 0.000 1.336 454 V CA 0.859 63.151 62.300 -0.012 0.000 1.137 454 V CB -0.275 31.541 31.823 -0.012 0.000 0.966 454 V HN 0.588 nan 8.190 nan 0.000 0.428 455 N N 0.989 119.683 118.700 -0.011 0.000 2.619 455 N HA 0.748 5.528 4.740 0.066 0.000 0.294 455 N C -0.564 174.944 175.510 -0.003 0.000 1.279 455 N CA 0.066 53.112 53.050 -0.007 0.000 0.867 455 N CB 2.087 40.567 38.487 -0.013 0.000 1.329 455 N HN 0.336 nan 8.380 nan 0.000 0.557 456 A N 0.724 123.547 122.820 0.004 0.000 2.249 456 A HA 0.389 4.749 4.320 0.066 0.000 0.314 456 A C -0.266 177.320 177.584 0.004 0.000 1.290 456 A CA -0.401 51.647 52.037 0.019 0.000 0.893 456 A CB -0.366 18.649 19.000 0.027 0.000 1.165 456 A HN 0.603 nan 8.150 nan 0.000 0.530 457 N N 1.077 119.763 118.700 -0.023 0.000 2.405 457 N HA 0.361 5.141 4.740 0.066 0.000 0.299 457 N C -0.055 175.391 175.510 -0.107 0.000 1.075 457 N CA -0.191 52.761 53.050 -0.163 0.000 0.884 457 N CB 0.315 38.626 38.487 -0.293 0.000 1.194 457 N HN 0.590 nan 8.380 nan 0.000 0.491 458 H N 1.617 120.670 119.070 -0.027 0.000 2.776 458 H HA -0.174 4.422 4.556 0.066 0.000 0.300 458 H C 0.017 175.395 175.328 0.083 0.000 1.161 458 H CA 0.889 56.887 56.048 -0.083 0.000 1.147 458 H CB -1.921 27.556 29.762 -0.474 0.000 1.366 458 H HN 0.627 nan 8.280 nan 0.000 0.397 459 S N -2.673 113.177 115.700 0.250 0.000 3.270 459 S HA -0.293 4.216 4.470 0.066 0.000 0.293 459 S C 1.625 176.392 174.600 0.279 0.000 1.278 459 S CA 1.978 60.371 58.200 0.323 0.000 1.038 459 S CB -1.382 62.032 63.200 0.358 0.000 1.218 459 S HN 1.564 nan 8.310 nan 0.000 0.659 460 S N 1.890 117.738 115.700 0.247 0.000 4.149 460 S HA -0.418 4.092 4.470 0.066 0.000 0.538 460 S C 1.386 176.137 174.600 0.251 0.000 1.671 460 S CA 2.365 60.706 58.200 0.236 0.000 4.030 460 S CB -1.866 61.424 63.200 0.150 0.000 1.255 460 S HN 1.653 nan 8.310 nan 0.000 0.471 461 I N 0.411 121.092 120.570 0.186 0.000 2.454 461 I HA 0.228 4.438 4.170 0.066 0.000 0.254 461 I C 2.080 178.318 176.117 0.202 0.000 1.156 461 I CA 1.712 63.115 61.300 0.172 0.000 1.433 461 I CB -1.208 36.863 38.000 0.118 0.000 1.082 461 I HN 0.636 nan 8.210 nan 0.000 0.432 462 G N 0.992 109.944 108.800 0.254 0.000 3.233 462 G HA2 0.010 4.010 3.960 0.066 0.000 0.227 462 G HA3 0.010 4.010 3.960 0.066 0.000 0.227 462 G C 0.580 175.689 174.900 0.349 0.000 1.175 462 G CA 0.181 45.462 45.100 0.302 0.000 0.781 462 G HN 0.417 nan 8.290 nan 0.000 0.542 463 S N 0.040 115.949 115.700 0.349 0.000 2.575 463 S HA 0.029 4.538 4.470 0.066 0.000 0.295 463 S C 1.187 176.081 174.600 0.490 0.000 1.267 463 S CA -0.518 57.938 58.200 0.428 0.000 1.074 463 S CB -0.005 63.589 63.200 0.658 0.000 0.829 463 S HN 0.162 nan 8.310 nan 0.000 0.497 464 F N 4.484 124.573 119.950 0.232 0.000 2.451 464 F HA -0.036 4.531 4.527 0.067 0.000 0.299 464 F C 2.389 178.352 175.800 0.270 0.000 1.101 464 F CA 1.264 59.401 58.000 0.229 0.000 1.436 464 F CB -1.175 37.993 39.000 0.279 0.000 1.074 464 F HN 0.894 nan 8.300 nan 0.000 0.553 465 H N 0.419 119.747 119.070 0.430 0.000 2.489 465 H HA -0.065 4.531 4.556 0.066 0.000 0.295 465 H C 1.321 176.802 175.328 0.256 0.000 1.082 465 H CA 1.417 57.662 56.048 0.328 0.000 1.295 465 H CB -0.292 29.674 29.762 0.341 0.000 1.380 465 H HN 0.263 nan 8.280 nan 0.000 0.548 466 R N 0.571 120.875 120.500 -0.328 0.000 2.397 466 R HA 0.230 4.610 4.340 0.066 0.000 0.241 466 R C 0.084 176.358 176.300 -0.044 0.000 0.914 466 R CA -0.215 55.732 56.100 -0.255 0.000 1.071 466 R CB 0.860 30.972 30.300 -0.314 0.000 1.116 466 R HN 0.194 nan 8.270 nan 0.000 0.524 467 K N 1.486 121.911 120.400 0.042 0.000 2.118 467 K HA 0.243 4.602 4.320 0.066 0.000 0.267 467 K C -0.179 176.454 176.600 0.055 0.000 0.991 467 K CA -0.570 55.709 56.287 -0.013 0.000 0.916 467 K CB 1.703 34.115 32.500 -0.147 0.000 1.041 467 K HN -0.126 nan 8.250 nan 0.000 0.455 468 R N 3.000 123.486 120.500 -0.022 0.000 2.202 468 R HA 0.188 4.568 4.340 0.066 0.000 0.334 468 R C -0.983 175.331 176.300 0.023 0.000 1.036 468 R CA -0.386 55.747 56.100 0.055 0.000 0.878 468 R CB 0.286 30.585 30.300 -0.003 0.000 1.067 468 R HN 0.359 nan 8.270 nan 0.000 0.457 469 F N 3.678 123.616 119.950 -0.019 0.000 2.370 469 F HA 0.271 4.838 4.527 0.066 0.000 0.324 469 F C 0.644 176.534 175.800 0.149 0.000 1.116 469 F CA -0.439 57.585 58.000 0.041 0.000 1.123 469 F CB 0.753 39.801 39.000 0.080 0.000 1.238 469 F HN 0.261 nan 8.300 nan 0.000 0.536 470 L N 1.613 123.010 121.223 0.290 0.000 2.436 470 L HA 0.554 4.934 4.340 0.066 0.000 0.265 470 L C 0.827 177.852 176.870 0.257 0.000 1.168 470 L CA 0.165 55.145 54.840 0.234 0.000 0.815 470 L CB 0.060 42.198 42.059 0.131 0.000 1.109 470 L HN 0.884 nan 8.230 nan 0.000 0.462 471 G N 2.304 111.189 108.800 0.143 0.000 2.451 471 G HA2 -0.132 3.868 3.960 0.066 0.000 0.208 471 G HA3 -0.132 3.868 3.960 0.066 0.000 0.208 471 G C -3.044 171.864 174.900 0.013 0.000 1.248 471 G CA -0.624 44.461 45.100 -0.025 0.000 0.989 471 G HN 0.507 nan 8.290 nan 0.000 0.559 472 P HA 0.660 nan 4.420 nan 0.000 0.284 472 P C -0.448 176.694 177.300 -0.265 0.000 1.287 472 P CA -0.685 62.080 63.100 -0.559 0.000 0.824 472 P CB 1.132 32.335 31.700 -0.829 0.000 1.180 473 I N 1.055 121.483 120.570 -0.236 0.000 2.321 473 I HA 0.273 4.483 4.170 0.066 0.000 0.291 473 I C 0.120 176.191 176.117 -0.078 0.000 0.998 473 I CA -0.572 60.664 61.300 -0.106 0.000 1.227 473 I CB 0.569 38.529 38.000 -0.067 0.000 1.368 473 I HN 0.027 nan 8.210 nan 0.000 0.466 474 I N 6.441 127.011 120.570 -0.001 0.000 2.404 474 I HA 0.427 4.637 4.170 0.066 0.000 0.293 474 I C -0.180 175.990 176.117 0.089 0.000 0.992 474 I CA -0.585 60.746 61.300 0.053 0.000 1.149 474 I CB 1.559 39.611 38.000 0.088 0.000 1.315 474 I HN 0.538 nan 8.210 nan 0.000 0.446 475 Q N 4.412 124.267 119.800 0.093 0.000 2.484 475 Q HA 0.389 4.768 4.340 0.066 0.000 0.285 475 Q C -0.704 175.330 176.000 0.056 0.000 1.097 475 Q CA -0.678 55.161 55.803 0.059 0.000 0.802 475 Q CB 2.956 31.699 28.738 0.008 0.000 1.444 475 Q HN 0.629 nan 8.270 nan 0.000 0.429 476 N N 1.311 119.980 118.700 -0.052 0.000 2.791 476 N HA 0.195 4.975 4.740 0.066 0.000 0.265 476 N C -1.897 173.478 175.510 -0.226 0.000 1.580 476 N CA -1.573 51.310 53.050 -0.279 0.000 0.809 476 N CB 0.892 39.196 38.487 -0.304 0.000 1.178 476 N HN 0.200 nan 8.380 nan 0.000 0.499 477 P HA -0.051 nan 4.420 nan 0.000 0.220 477 P C -0.058 177.157 177.300 -0.141 0.000 1.148 477 P CA 1.029 64.049 63.100 -0.133 0.000 0.803 477 P CB 0.192 31.834 31.700 -0.097 0.000 0.782 478 S N -2.934 112.658 115.700 -0.180 0.000 2.615 478 S HA 0.359 4.869 4.470 0.066 0.000 0.269 478 S C -0.778 173.709 174.600 -0.188 0.000 1.161 478 S CA -1.200 56.912 58.200 -0.146 0.000 0.817 478 S CB 1.451 64.592 63.200 -0.100 0.000 1.131 478 S HN -0.080 nan 8.310 nan 0.000 0.467 479 K N 0.580 120.904 120.400 -0.127 0.000 2.472 479 K HA 0.066 4.426 4.320 0.066 0.000 0.280 479 K C -0.464 176.075 176.600 -0.102 0.000 1.028 479 K CA 1.011 57.231 56.287 -0.111 0.000 1.045 479 K CB -0.238 32.230 32.500 -0.053 0.000 0.902 479 K HN 0.640 nan 8.250 nan 0.000 0.478 480 D N 0.587 120.925 120.400 -0.103 0.000 2.946 480 D HA -0.158 4.522 4.640 0.066 0.000 0.202 480 D C -0.774 175.529 176.300 0.004 0.000 1.068 480 D CA 0.968 54.980 54.000 0.021 0.000 1.011 480 D CB -0.924 39.912 40.800 0.059 0.000 1.105 480 D HN 0.226 nan 8.370 nan 0.000 0.425 481 V N 0.822 120.603 119.914 -0.221 0.000 2.495 481 V HA 0.641 4.801 4.120 0.066 0.000 0.298 481 V C -0.127 175.735 176.094 -0.387 0.000 1.031 481 V CA -0.613 61.609 62.300 -0.131 0.000 0.871 481 V CB 1.624 33.397 31.823 -0.085 0.000 0.988 481 V HN -0.045 nan 8.190 nan 0.000 0.432 482 F N 1.807 121.801 119.950 0.074 0.000 2.565 482 F HA 0.761 5.328 4.527 0.066 0.000 0.313 482 F C 0.354 176.202 175.800 0.079 0.000 1.091 482 F CA -0.601 57.441 58.000 0.070 0.000 0.915 482 F CB 2.492 41.539 39.000 0.079 0.000 1.208 482 F HN 0.527 nan 8.300 nan 0.000 0.453 483 T N -0.397 114.292 114.554 0.226 0.000 2.900 483 T HA 0.918 5.308 4.350 0.066 0.000 0.295 483 T C -1.114 173.643 174.700 0.095 0.000 1.044 483 T CA -0.929 61.251 62.100 0.133 0.000 0.995 483 T CB 1.916 70.815 68.868 0.051 0.000 1.072 483 T HN 0.970 nan 8.240 nan 0.000 0.473 484 A N 1.735 124.570 122.820 0.025 0.000 2.381 484 A HA 0.751 5.110 4.320 0.066 0.000 0.299 484 A C -0.647 176.861 177.584 -0.127 0.000 1.049 484 A CA -0.745 51.249 52.037 -0.072 0.000 0.715 484 A CB 1.378 20.320 19.000 -0.097 0.000 1.222 484 A HN 0.972 nan 8.150 nan 0.000 0.428 485 E N 2.066 122.129 120.200 -0.228 0.000 2.199 485 E HA 0.628 5.018 4.350 0.066 0.000 0.265 485 E C -1.806 174.609 176.600 -0.308 0.000 0.882 485 E CA -0.349 55.938 56.400 -0.188 0.000 0.759 485 E CB 1.206 30.837 29.700 -0.115 0.000 1.148 485 E HN 0.624 nan 8.360 nan 0.000 0.412 486 Y N 2.453 122.730 120.300 -0.040 0.000 2.562 486 Y HA 0.518 5.107 4.550 0.066 0.000 0.343 486 Y C 0.109 176.114 175.900 0.176 0.000 1.025 486 Y CA -0.918 57.228 58.100 0.077 0.000 1.082 486 Y CB 2.155 40.639 38.460 0.040 0.000 1.264 486 Y HN 0.479 nan 8.280 nan 0.000 0.478 487 M N 2.710 122.583 119.600 0.455 0.000 2.550 487 M HA 0.698 5.218 4.480 0.066 0.000 0.292 487 M C -2.437 173.921 176.300 0.097 0.000 1.221 487 M CA -1.001 54.459 55.300 0.267 0.000 0.873 487 M CB 2.478 35.144 32.600 0.110 0.000 1.727 487 M HN 0.692 nan 8.290 nan 0.000 0.459 488 L N 4.202 125.325 121.223 -0.167 0.000 2.436 488 L HA 0.631 5.011 4.340 0.066 0.000 0.268 488 L C -1.815 174.839 176.870 -0.360 0.000 0.974 488 L CA -0.460 54.022 54.840 -0.598 0.000 0.826 488 L CB 2.038 43.240 42.059 -1.429 0.000 1.291 488 L HN 0.612 nan 8.230 nan 0.000 0.406 489 I N 3.477 123.852 120.570 -0.325 0.000 2.328 489 I HA 0.320 4.530 4.170 0.066 0.000 0.287 489 I C -0.709 175.274 176.117 -0.222 0.000 1.012 489 I CA -0.226 60.944 61.300 -0.217 0.000 1.195 489 I CB 0.993 38.883 38.000 -0.185 0.000 1.350 489 I HN 0.617 nan 8.210 nan 0.000 0.464 490 D N 6.082 126.381 120.400 -0.168 0.000 2.462 490 D HA 0.250 4.930 4.640 0.066 0.000 0.249 490 D C -0.302 175.982 176.300 -0.025 0.000 1.117 490 D CA -0.330 53.605 54.000 -0.108 0.000 0.900 490 D CB 0.642 41.394 40.800 -0.080 0.000 1.039 490 D HN 0.274 nan 8.370 nan 0.000 0.516 491 N N 2.140 120.830 118.700 -0.016 0.000 2.529 491 N HA 0.019 4.799 4.740 0.066 0.000 0.278 491 N C 1.127 176.668 175.510 0.053 0.000 1.146 491 N CA -0.152 52.907 53.050 0.015 0.000 0.980 491 N CB 1.495 39.987 38.487 0.008 0.000 1.124 491 N HN 0.573 nan 8.380 nan 0.000 0.458 492 E N 2.821 123.059 120.200 0.064 0.000 2.070 492 E HA -0.286 4.104 4.350 0.066 0.000 0.197 492 E C 1.350 178.003 176.600 0.088 0.000 1.004 492 E CA 1.556 58.010 56.400 0.091 0.000 0.805 492 E CB 0.076 29.827 29.700 0.086 0.000 0.744 492 E HN 0.593 nan 8.360 nan 0.000 0.451 493 K N -0.266 120.174 120.400 0.068 0.000 2.286 493 K HA -0.192 4.167 4.320 0.066 0.000 0.203 493 K C 0.573 177.211 176.600 0.064 0.000 1.045 493 K CA 1.786 58.111 56.287 0.062 0.000 0.935 493 K CB 0.013 32.543 32.500 0.050 0.000 0.737 493 K HN 0.171 nan 8.250 nan 0.000 0.460 494 D N 0.597 121.037 120.400 0.067 0.000 2.395 494 D HA 0.050 4.729 4.640 0.066 0.000 0.213 494 D C -0.040 176.318 176.300 0.097 0.000 1.110 494 D CA 0.275 54.315 54.000 0.067 0.000 0.835 494 D CB 0.991 41.819 40.800 0.047 0.000 0.965 494 D HN 0.246 nan 8.370 nan 0.000 0.505 495 T N -0.957 113.671 114.554 0.124 0.000 2.864 495 T HA 0.179 4.569 4.350 0.066 0.000 0.299 495 T C 0.379 175.175 174.700 0.160 0.000 1.166 495 T CA -0.444 61.760 62.100 0.174 0.000 1.007 495 T CB 1.908 70.931 68.868 0.260 0.000 1.219 495 T HN -0.252 nan 8.240 nan 0.000 0.506 496 E N 0.617 120.898 120.200 0.135 0.000 2.347 496 E HA 0.083 4.473 4.350 0.066 0.000 0.196 496 E C -0.222 176.390 176.600 0.020 0.000 1.008 496 E CA 0.586 57.008 56.400 0.038 0.000 0.852 496 E CB 0.021 29.681 29.700 -0.067 0.000 0.783 496 E HN 0.449 nan 8.360 nan 0.000 0.505 497 F N 1.325 121.332 119.950 0.095 0.000 2.378 497 F HA 0.219 4.785 4.527 0.066 0.000 0.319 497 F C -1.792 173.998 175.800 -0.016 0.000 1.155 497 F CA -2.685 55.342 58.000 0.044 0.000 1.157 497 F CB 0.250 39.258 39.000 0.013 0.000 1.252 497 F HN -0.178 nan 8.300 nan 0.000 0.550 498 P HA 0.379 nan 4.420 nan 0.000 0.282 498 P C -0.392 176.955 177.300 0.077 0.000 1.249 498 P CA -0.159 62.958 63.100 0.028 0.000 0.806 498 P CB 1.322 32.928 31.700 -0.157 0.000 0.984 499 G N 2.093 110.943 108.800 0.084 0.000 2.712 499 G HA2 -0.120 3.880 3.960 0.066 0.000 0.686 499 G HA3 -0.120 3.880 3.960 0.066 0.000 0.686 499 G C -1.410 173.523 174.900 0.055 0.000 1.321 499 G CA -0.776 44.363 45.100 0.064 0.000 0.813 499 G HN 0.505 nan 8.290 nan 0.000 0.599 500 D N 0.372 120.796 120.400 0.040 0.000 2.396 500 D HA 0.464 5.144 4.640 0.066 0.000 0.225 500 D C 0.208 176.516 176.300 0.013 0.000 1.121 500 D CA -0.134 53.880 54.000 0.025 0.000 0.853 500 D CB 1.632 42.444 40.800 0.020 0.000 1.043 500 D HN 0.471 nan 8.370 nan 0.000 0.500 501 L N 3.157 124.383 121.223 0.004 0.000 2.309 501 L HA 0.466 4.846 4.340 0.066 0.000 0.282 501 L C -1.278 175.581 176.870 -0.018 0.000 1.036 501 L CA -0.791 54.048 54.840 -0.001 0.000 0.806 501 L CB 1.395 43.453 42.059 -0.001 0.000 1.220 501 L HN 0.227 nan 8.230 nan 0.000 0.429 502 L N 5.982 127.204 121.223 -0.002 0.000 2.296 502 L HA 0.726 5.106 4.340 0.066 0.000 0.286 502 L C -1.185 175.701 176.870 0.027 0.000 1.023 502 L CA -0.149 54.684 54.840 -0.012 0.000 0.812 502 L CB 1.678 43.739 42.059 0.003 0.000 1.223 502 L HN 0.434 nan 8.230 nan 0.000 0.421 503 V N 3.243 123.167 119.914 0.018 0.000 2.680 503 V HA 0.741 4.901 4.120 0.066 0.000 0.309 503 V C -0.124 176.061 176.094 0.152 0.000 1.052 503 V CA -0.252 62.119 62.300 0.117 0.000 0.908 503 V CB 2.315 34.238 31.823 0.167 0.000 1.001 503 V HN 0.902 nan 8.190 nan 0.000 0.431 504 T N 1.877 116.542 114.554 0.186 0.000 2.876 504 T HA 0.815 5.204 4.350 0.066 0.000 0.289 504 T C -0.927 173.859 174.700 0.143 0.000 1.014 504 T CA -0.577 61.616 62.100 0.155 0.000 0.986 504 T CB 1.640 70.556 68.868 0.079 0.000 1.021 504 T HN 0.379 nan 8.240 nan 0.000 0.458 505 I N 2.263 122.868 120.570 0.059 0.000 2.439 505 I HA 0.373 4.583 4.170 0.066 0.000 0.285 505 I C -0.335 175.577 176.117 -0.342 0.000 1.021 505 I CA -0.724 60.455 61.300 -0.201 0.000 1.091 505 I CB 2.084 39.901 38.000 -0.305 0.000 1.242 505 I HN 0.683 nan 8.210 nan 0.000 0.439 506 Q N 6.833 126.383 119.800 -0.417 0.000 2.348 506 Q HA 0.418 4.798 4.340 0.066 0.000 0.265 506 Q C -1.893 173.862 176.000 -0.408 0.000 0.998 506 Q CA -0.574 55.033 55.803 -0.326 0.000 0.831 506 Q CB 1.325 29.953 28.738 -0.182 0.000 1.251 506 Q HN 0.560 nan 8.270 nan 0.000 0.456 507 Y N 1.788 121.949 120.300 -0.231 0.000 2.342 507 Y HA 0.378 4.968 4.550 0.066 0.000 0.334 507 Y C -0.047 175.793 175.900 -0.100 0.000 1.067 507 Y CA -0.579 57.373 58.100 -0.245 0.000 1.128 507 Y CB 2.250 40.358 38.460 -0.586 0.000 1.200 507 Y HN 0.445 nan 8.280 nan 0.000 0.464 508 T N 3.450 118.103 114.554 0.164 0.000 2.847 508 T HA 0.394 4.784 4.350 0.066 0.000 0.291 508 T C -0.887 173.963 174.700 0.250 0.000 0.998 508 T CA -0.646 61.550 62.100 0.160 0.000 0.967 508 T CB 0.875 69.791 68.868 0.080 0.000 0.954 508 T HN 0.257 nan 8.240 nan 0.000 0.441 509 V N 4.624 124.726 119.914 0.313 0.000 2.347 509 V HA 0.435 4.594 4.120 0.066 0.000 0.280 509 V C 0.109 176.437 176.094 0.391 0.000 1.021 509 V CA -0.922 61.627 62.300 0.416 0.000 0.847 509 V CB 1.219 33.267 31.823 0.376 0.000 0.990 509 V HN 0.755 nan 8.190 nan 0.000 0.444 510 N N 4.618 123.533 118.700 0.359 0.000 2.546 510 N HA 0.214 4.993 4.740 0.066 0.000 0.238 510 N C 0.653 176.324 175.510 0.270 0.000 0.984 510 N CA -0.196 52.998 53.050 0.239 0.000 0.935 510 N CB 1.973 40.528 38.487 0.115 0.000 1.122 510 N HN 0.329 nan 8.380 nan 0.000 0.510 511 V N 3.261 123.366 119.914 0.318 0.000 2.407 511 V HA -0.191 3.969 4.120 0.066 0.000 0.248 511 V C 2.319 178.503 176.094 0.151 0.000 1.055 511 V CA 2.190 64.673 62.300 0.305 0.000 1.049 511 V CB -0.773 31.235 31.823 0.309 0.000 0.662 511 V HN 0.737 nan 8.190 nan 0.000 0.455 512 A N -0.918 121.963 122.820 0.100 0.000 1.898 512 A HA -0.184 4.175 4.320 0.066 0.000 0.216 512 A C 2.106 179.695 177.584 0.008 0.000 1.181 512 A CA 1.315 53.380 52.037 0.047 0.000 0.620 512 A CB -0.322 18.696 19.000 0.030 0.000 0.819 512 A HN 0.488 nan 8.150 nan 0.000 0.442 513 Q N -0.669 119.127 119.800 -0.008 0.000 2.403 513 Q HA 0.080 4.460 4.340 0.066 0.000 0.203 513 Q C -0.393 175.522 176.000 -0.141 0.000 0.932 513 Q CA 0.310 56.081 55.803 -0.054 0.000 0.945 513 Q CB 0.068 28.781 28.738 -0.041 0.000 1.045 513 Q HN 0.686 nan 8.270 nan 0.000 0.511 514 K N 1.198 121.462 120.400 -0.226 0.000 3.148 514 K HA -0.138 4.222 4.320 0.066 0.000 0.267 514 K C -0.511 175.542 176.600 -0.911 0.000 0.996 514 K CA 0.740 56.587 56.287 -0.732 0.000 0.737 514 K CB -2.098 30.158 32.500 -0.407 0.000 1.308 514 K HN 0.357 nan 8.250 nan 0.000 0.470 515 S N -0.271 115.119 115.700 -0.515 0.000 2.568 515 S HA 0.756 5.265 4.470 0.066 0.000 0.293 515 S C -0.803 173.951 174.600 0.257 0.000 1.089 515 S CA -1.242 56.879 58.200 -0.133 0.000 0.945 515 S CB 2.582 65.757 63.200 -0.042 0.000 1.077 515 S HN 0.260 nan 8.310 nan 0.000 0.485 516 L N 1.550 122.992 121.223 0.365 0.000 2.349 516 L HA 0.623 5.003 4.340 0.066 0.000 0.278 516 L C -0.510 176.447 176.870 0.145 0.000 0.996 516 L CA -0.214 54.869 54.840 0.406 0.000 0.825 516 L CB 1.515 43.900 42.059 0.544 0.000 1.243 516 L HN 0.982 nan 8.230 nan 0.000 0.412 517 E N 5.664 125.934 120.200 0.115 0.000 2.171 517 E HA 0.502 4.892 4.350 0.066 0.000 0.271 517 E C -1.459 175.121 176.600 -0.033 0.000 0.916 517 E CA -0.632 55.766 56.400 -0.004 0.000 0.774 517 E CB 1.309 31.006 29.700 -0.005 0.000 1.128 517 E HN 0.705 nan 8.360 nan 0.000 0.403 518 I N 4.331 124.802 120.570 -0.166 0.000 2.389 518 I HA 0.300 4.510 4.170 0.066 0.000 0.288 518 I C -0.862 174.976 176.117 -0.465 0.000 0.999 518 I CA -1.036 60.054 61.300 -0.350 0.000 1.129 518 I CB 1.917 39.686 38.000 -0.386 0.000 1.288 518 I HN 0.272 nan 8.210 nan 0.000 0.444 519 V N 6.988 126.587 119.914 -0.526 0.000 2.444 519 V HA 0.385 4.544 4.120 0.066 0.000 0.294 519 V C -0.855 174.977 176.094 -0.438 0.000 1.022 519 V CA -0.622 61.447 62.300 -0.383 0.000 0.850 519 V CB 1.398 33.092 31.823 -0.215 0.000 0.992 519 V HN 0.429 nan 8.190 nan 0.000 0.426 520 Y N 3.523 123.781 120.300 -0.070 0.000 2.361 520 Y HA 0.649 5.239 4.550 0.066 0.000 0.332 520 Y C 0.438 176.357 175.900 0.033 0.000 1.101 520 Y CA -0.618 57.495 58.100 0.022 0.000 1.137 520 Y CB 1.640 40.200 38.460 0.168 0.000 1.207 520 Y HN 0.438 nan 8.280 nan 0.000 0.463 521 K N 1.589 122.152 120.400 0.273 0.000 2.464 521 K HA 0.749 5.109 4.320 0.066 0.000 0.253 521 K C -0.779 175.993 176.600 0.286 0.000 0.933 521 K CA -0.987 55.428 56.287 0.214 0.000 0.801 521 K CB 2.588 35.149 32.500 0.102 0.000 1.271 521 K HN 0.868 nan 8.250 nan 0.000 0.430 522 G N 1.580 110.565 108.800 0.308 0.000 2.682 522 G HA2 0.585 4.585 3.960 0.066 0.000 0.300 522 G HA3 0.585 4.585 3.960 0.066 0.000 0.300 522 G C -1.709 173.282 174.900 0.151 0.000 1.391 522 G CA -0.437 44.793 45.100 0.216 0.000 0.990 522 G HN 0.401 nan 8.290 nan 0.000 0.501 523 K N 1.664 122.118 120.400 0.092 0.000 2.543 523 K HA 0.444 4.804 4.320 0.066 0.000 0.255 523 K C -1.024 175.603 176.600 0.044 0.000 0.934 523 K CA -0.787 55.541 56.287 0.070 0.000 0.810 523 K CB 2.082 34.620 32.500 0.064 0.000 1.315 523 K HN 0.401 nan 8.250 nan 0.000 0.433 524 L N 3.466 124.713 121.223 0.041 0.000 2.367 524 L HA 0.192 4.572 4.340 0.066 0.000 0.275 524 L C 1.305 178.194 176.870 0.033 0.000 1.129 524 L CA 0.047 54.906 54.840 0.032 0.000 0.839 524 L CB 1.290 43.370 42.059 0.036 0.000 1.133 524 L HN 0.925 nan 8.230 nan 0.000 0.453 525 T N -0.858 113.712 114.554 0.027 0.000 3.044 525 T HA 0.454 4.844 4.350 0.066 0.000 0.250 525 T C 0.350 175.069 174.700 0.031 0.000 1.081 525 T CA 0.215 62.332 62.100 0.027 0.000 1.040 525 T CB 0.492 69.371 68.868 0.019 0.000 0.962 525 T HN 0.581 nan 8.240 nan 0.000 0.506 526 A N -0.326 122.514 122.820 0.034 0.000 2.612 526 A HA 0.807 5.167 4.320 0.066 0.000 0.293 526 A C 0.121 177.733 177.584 0.046 0.000 1.075 526 A CA -0.299 51.761 52.037 0.039 0.000 0.680 526 A CB 0.942 19.965 19.000 0.038 0.000 1.279 526 A HN 1.477 nan 8.150 nan 0.000 0.411 527 G N -0.009 108.822 108.800 0.052 0.000 2.663 527 G HA2 0.045 4.045 3.960 0.066 0.000 0.686 527 G HA3 0.045 4.045 3.960 0.066 0.000 0.686 527 G C -0.067 174.871 174.900 0.062 0.000 1.246 527 G CA 0.242 45.380 45.100 0.063 0.000 0.795 527 G HN 0.868 nan 8.290 nan 0.000 0.627 528 E N 0.178 120.423 120.200 0.074 0.000 2.190 528 E HA 0.420 4.810 4.350 0.066 0.000 0.191 528 E C 1.236 177.879 176.600 0.072 0.000 0.978 528 E CA 1.146 57.589 56.400 0.072 0.000 0.839 528 E CB 0.273 30.022 29.700 0.082 0.000 0.787 528 E HN 1.457 nan 8.360 nan 0.000 0.473 529 A N -0.023 122.843 122.820 0.077 0.000 2.586 529 A HA 0.540 4.900 4.320 0.066 0.000 0.291 529 A C -1.040 176.576 177.584 0.053 0.000 1.062 529 A CA -0.534 51.544 52.037 0.067 0.000 0.666 529 A CB 1.972 21.022 19.000 0.083 0.000 1.281 529 A HN -0.067 nan 8.150 nan 0.000 0.421 530 T N 0.727 115.297 114.554 0.026 0.000 2.894 530 T HA 0.765 5.155 4.350 0.066 0.000 0.309 530 T C -3.206 171.463 174.700 -0.052 0.000 1.208 530 T CA -1.441 60.653 62.100 -0.011 0.000 1.016 530 T CB 1.953 70.787 68.868 -0.058 0.000 1.192 530 T HN 0.374 nan 8.240 nan 0.000 0.491 531 P HA 0.589 nan 4.420 nan 0.000 0.279 531 P C -1.046 176.174 177.300 -0.133 0.000 1.239 531 P CA -0.407 62.623 63.100 -0.117 0.000 0.789 531 P CB 0.628 32.105 31.700 -0.371 0.000 0.933 532 I N 2.234 122.755 120.570 -0.082 0.000 2.692 532 I HA 0.543 4.753 4.170 0.066 0.000 0.293 532 I C -1.618 174.203 176.117 -0.494 0.000 1.200 532 I CA -0.605 60.466 61.300 -0.382 0.000 1.036 532 I CB 2.085 39.745 38.000 -0.565 0.000 1.258 532 I HN 0.239 nan 8.210 nan 0.000 0.421 533 N N 7.130 125.416 118.700 -0.690 0.000 3.357 533 N HA 0.329 5.108 4.740 0.066 0.000 0.206 533 N C -2.142 173.041 175.510 -0.545 0.000 1.458 533 N CA -0.399 52.284 53.050 -0.613 0.000 0.776 533 N CB 0.552 38.422 38.487 -1.030 0.000 1.626 533 N HN 0.491 nan 8.380 nan 0.000 0.644 534 L N 0.450 121.394 121.223 -0.466 0.000 2.431 534 L HA 0.774 5.154 4.340 0.066 0.000 0.260 534 L C 0.790 177.409 176.870 -0.419 0.000 1.098 534 L CA -0.572 53.960 54.840 -0.513 0.000 0.800 534 L CB 1.616 43.242 42.059 -0.722 0.000 1.210 534 L HN 0.420 nan 8.230 nan 0.000 0.465 535 T N -0.520 113.802 114.554 -0.388 0.000 2.693 535 T HA 0.206 4.596 4.350 0.066 0.000 0.304 535 T C -1.775 172.958 174.700 0.054 0.000 1.471 535 T CA -0.692 61.333 62.100 -0.124 0.000 0.993 535 T CB 1.730 70.575 68.868 -0.038 0.000 1.554 535 T HN 0.658 nan 8.240 nan 0.000 0.496 536 N N 0.966 119.796 118.700 0.217 0.000 2.372 536 N HA 0.236 5.016 4.740 0.066 0.000 0.285 536 N C -0.868 174.746 175.510 0.173 0.000 1.008 536 N CA -0.220 52.997 53.050 0.279 0.000 0.880 536 N CB 1.175 39.893 38.487 0.386 0.000 1.239 536 N HN 0.654 nan 8.380 nan 0.000 0.484 537 H N 2.114 121.227 119.070 0.071 0.000 2.577 537 H HA 0.225 4.821 4.556 0.066 0.000 0.306 537 H C -0.249 175.008 175.328 -0.118 0.000 1.109 537 H CA -0.071 55.950 56.048 -0.045 0.000 1.063 537 H CB 0.178 29.911 29.762 -0.048 0.000 1.535 537 H HN 0.401 nan 8.280 nan 0.000 0.532 538 S N 0.620 116.281 115.700 -0.065 0.000 2.563 538 S HA 0.017 4.527 4.470 0.066 0.000 0.284 538 S C -0.511 173.742 174.600 -0.579 0.000 1.331 538 S CA 0.277 58.305 58.200 -0.286 0.000 1.047 538 S CB 0.264 63.143 63.200 -0.535 0.000 0.859 538 S HN 0.300 nan 8.310 nan 0.000 0.514 539 Y N 1.704 121.681 120.300 -0.538 0.000 2.328 539 Y HA 0.468 5.058 4.550 0.066 0.000 0.336 539 Y C -0.251 175.193 175.900 -0.761 0.000 0.960 539 Y CA -0.719 57.064 58.100 -0.527 0.000 1.134 539 Y CB 0.699 38.954 38.460 -0.342 0.000 1.166 539 Y HN 0.486 nan 8.280 nan 0.000 0.464 540 F N 2.237 121.871 119.950 -0.527 0.000 2.377 540 F HA 0.435 5.002 4.527 0.066 0.000 0.328 540 F C 0.343 175.841 175.800 -0.504 0.000 1.094 540 F CA -0.696 56.937 58.000 -0.612 0.000 1.093 540 F CB 1.054 39.482 39.000 -0.953 0.000 1.214 540 F HN 0.410 nan 8.300 nan 0.000 0.518 541 N N 2.480 121.160 118.700 -0.033 0.000 2.599 541 N HA 0.201 4.980 4.740 0.066 0.000 0.283 541 N C -0.723 174.833 175.510 0.076 0.000 1.160 541 N CA -0.204 52.872 53.050 0.042 0.000 0.869 541 N CB 0.998 39.465 38.487 -0.034 0.000 1.448 541 N HN 0.661 nan 8.380 nan 0.000 0.535 542 L N 1.715 123.027 121.223 0.148 0.000 2.611 542 L HA 0.276 4.656 4.340 0.066 0.000 0.229 542 L C 0.742 177.574 176.870 -0.064 0.000 1.137 542 L CA 0.189 55.089 54.840 0.100 0.000 0.901 542 L CB -0.150 42.026 42.059 0.195 0.000 1.098 542 L HN 0.337 nan 8.230 nan 0.000 0.456 543 N N -0.096 118.516 118.700 -0.147 0.000 2.536 543 N HA 0.098 4.878 4.740 0.066 0.000 0.286 543 N C 0.926 176.333 175.510 -0.171 0.000 1.577 543 N CA -0.028 52.844 53.050 -0.297 0.000 0.883 543 N CB 0.366 38.425 38.487 -0.714 0.000 1.390 543 N HN -0.056 nan 8.380 nan 0.000 0.491 544 K N 0.256 120.595 120.400 -0.101 0.000 2.074 544 K HA -0.095 4.265 4.320 0.066 0.000 0.209 544 K C -0.833 175.727 176.600 -0.067 0.000 1.048 544 K CA 1.692 57.936 56.287 -0.072 0.000 0.926 544 K CB -0.560 31.904 32.500 -0.060 0.000 0.713 544 K HN 0.290 nan 8.250 nan 0.000 0.444 545 P HA -0.178 nan 4.420 nan 0.000 0.216 545 P C 0.098 177.365 177.300 -0.054 0.000 1.150 545 P CA 1.558 64.624 63.100 -0.057 0.000 0.843 545 P CB -0.024 31.642 31.700 -0.055 0.000 0.787 546 Y N -0.609 119.647 120.300 -0.074 0.000 2.426 546 Y HA 0.647 5.236 4.550 0.066 0.000 0.325 546 Y C 0.537 176.393 175.900 -0.073 0.000 0.989 546 Y CA -0.815 57.246 58.100 -0.064 0.000 1.284 546 Y CB 1.168 39.589 38.460 -0.065 0.000 1.104 546 Y HN 0.206 nan 8.280 nan 0.000 0.481 547 G N 1.833 110.606 108.800 -0.045 0.000 2.760 547 G HA2 0.071 4.071 3.960 0.066 0.000 0.540 547 G HA3 0.071 4.071 3.960 0.066 0.000 0.540 547 G C -0.426 174.461 174.900 -0.020 0.000 1.476 547 G CA -0.207 44.872 45.100 -0.036 0.000 0.949 547 G HN 0.600 nan 8.290 nan 0.000 0.633 548 D N 0.148 120.547 120.400 -0.003 0.000 2.349 548 D HA 0.102 4.782 4.640 0.066 0.000 0.215 548 D C 1.590 177.901 176.300 0.018 0.000 1.016 548 D CA 1.755 55.760 54.000 0.008 0.000 0.870 548 D CB 0.821 41.626 40.800 0.008 0.000 0.917 548 D HN 0.902 nan 8.370 nan 0.000 0.524 549 T N -2.694 111.873 114.554 0.022 0.000 2.671 549 T HA 0.330 4.719 4.350 0.066 0.000 0.300 549 T C 1.002 175.741 174.700 0.065 0.000 1.238 549 T CA -0.844 61.278 62.100 0.036 0.000 1.020 549 T CB 0.767 69.655 68.868 0.035 0.000 1.503 549 T HN -0.040 nan 8.240 nan 0.000 0.497 550 I N -1.547 119.084 120.570 0.101 0.000 3.564 550 I HA 0.278 4.488 4.170 0.066 0.000 0.294 550 I C 0.752 176.971 176.117 0.171 0.000 1.289 550 I CA -0.180 61.229 61.300 0.183 0.000 1.325 550 I CB -0.621 37.541 38.000 0.270 0.000 1.039 550 I HN 0.803 nan 8.210 nan 0.000 0.474 551 E N 2.333 122.605 120.200 0.120 0.000 2.568 551 E HA 0.115 4.505 4.350 0.066 0.000 0.262 551 E C 1.303 177.999 176.600 0.160 0.000 0.961 551 E CA 1.271 57.734 56.400 0.104 0.000 0.945 551 E CB 0.184 29.930 29.700 0.076 0.000 0.924 551 E HN 0.588 nan 8.360 nan 0.000 0.467 552 G N 3.149 111.978 108.800 0.048 0.000 2.234 552 G HA2 -0.253 3.747 3.960 0.066 0.000 0.235 552 G HA3 -0.253 3.747 3.960 0.066 0.000 0.235 552 G C 0.303 174.980 174.900 -0.372 0.000 0.997 552 G CA 0.174 45.200 45.100 -0.124 0.000 0.623 552 G HN 0.660 nan 8.290 nan 0.000 0.514 553 T N 2.080 116.572 114.554 -0.103 0.000 2.916 553 T HA 0.452 4.842 4.350 0.066 0.000 0.303 553 T C 0.123 174.750 174.700 -0.121 0.000 1.025 553 T CA 0.353 62.389 62.100 -0.107 0.000 1.142 553 T CB 1.261 70.145 68.868 0.028 0.000 0.947 553 T HN 0.421 nan 8.240 nan 0.000 0.544 554 E N 2.605 122.746 120.200 -0.097 0.000 2.156 554 E HA 0.413 4.803 4.350 0.066 0.000 0.279 554 E C -0.423 176.138 176.600 -0.065 0.000 0.965 554 E CA -0.675 55.705 56.400 -0.034 0.000 0.789 554 E CB 1.060 30.802 29.700 0.070 0.000 1.098 554 E HN 0.351 nan 8.360 nan 0.000 0.397 555 I N 3.305 123.811 120.570 -0.107 0.000 2.569 555 I HA 0.442 4.652 4.170 0.066 0.000 0.296 555 I C -0.220 175.792 176.117 -0.175 0.000 1.028 555 I CA -0.654 60.528 61.300 -0.198 0.000 1.082 555 I CB 1.479 39.303 38.000 -0.293 0.000 1.264 555 I HN 0.565 nan 8.210 nan 0.000 0.429 556 M N 6.005 125.495 119.600 -0.183 0.000 2.378 556 M HA 0.543 5.062 4.480 0.066 0.000 0.289 556 M C -0.657 175.500 176.300 -0.238 0.000 1.136 556 M CA -0.820 54.396 55.300 -0.140 0.000 0.917 556 M CB 2.987 35.631 32.600 0.073 0.000 1.669 556 M HN 0.395 nan 8.290 nan 0.000 0.461 557 V N -0.257 119.348 119.914 -0.516 0.000 3.046 557 V HA 0.598 4.758 4.120 0.066 0.000 0.316 557 V C 0.717 176.102 176.094 -1.182 0.000 1.104 557 V CA -0.828 61.040 62.300 -0.720 0.000 1.006 557 V CB 1.887 33.214 31.823 -0.827 0.000 1.058 557 V HN 1.017 nan 8.190 nan 0.000 0.440 558 R N 0.958 120.768 120.500 -1.149 0.000 2.105 558 R HA 0.006 4.386 4.340 0.066 0.000 0.239 558 R C 0.777 176.696 176.300 -0.635 0.000 1.135 558 R CA 1.670 57.069 56.100 -1.168 0.000 0.967 558 R CB -0.050 29.952 30.300 -0.495 0.000 0.861 558 R HN 1.146 nan 8.270 nan 0.000 0.442 559 S N -1.949 113.492 115.700 -0.431 0.000 2.552 559 S HA 0.208 4.718 4.470 0.066 0.000 0.272 559 S C -0.406 174.060 174.600 -0.223 0.000 1.150 559 S CA -1.064 56.983 58.200 -0.256 0.000 0.849 559 S CB 1.663 64.789 63.200 -0.123 0.000 1.113 559 S HN 0.201 nan 8.310 nan 0.000 0.458 560 K N 0.768 121.121 120.400 -0.078 0.000 2.432 560 K HA 0.094 4.454 4.320 0.066 0.000 0.196 560 K C 0.015 176.782 176.600 0.280 0.000 1.038 560 K CA 0.177 56.536 56.287 0.120 0.000 0.986 560 K CB -0.133 32.426 32.500 0.098 0.000 0.782 560 K HN 0.334 nan 8.250 nan 0.000 0.485 561 K N 2.337 122.837 120.400 0.167 0.000 2.472 561 K HA 0.046 4.406 4.320 0.066 0.000 0.280 561 K C 0.089 176.781 176.600 0.154 0.000 1.028 561 K CA 0.356 56.724 56.287 0.135 0.000 1.045 561 K CB 1.015 33.566 32.500 0.085 0.000 0.902 561 K HN -0.012 nan 8.250 nan 0.000 0.478 562 S N 1.322 117.054 115.700 0.052 0.000 2.588 562 S HA 0.321 4.831 4.470 0.066 0.000 0.275 562 S C -0.905 173.677 174.600 -0.030 0.000 1.130 562 S CA -0.870 57.273 58.200 -0.095 0.000 0.855 562 S CB 1.284 64.310 63.200 -0.291 0.000 1.116 562 S HN 0.165 nan 8.310 nan 0.000 0.472 563 V N 3.919 123.806 119.914 -0.044 0.000 2.425 563 V HA 0.111 4.270 4.120 0.066 0.000 0.276 563 V C 0.461 176.593 176.094 0.065 0.000 1.017 563 V CA 0.057 62.405 62.300 0.081 0.000 1.062 563 V CB -0.090 31.791 31.823 0.096 0.000 0.997 563 V HN 0.874 nan 8.190 nan 0.000 0.476 564 D N 4.588 125.045 120.400 0.096 0.000 2.424 564 D HA 0.352 5.032 4.640 0.066 0.000 0.244 564 D C -0.144 176.200 176.300 0.075 0.000 1.134 564 D CA 0.129 54.168 54.000 0.065 0.000 0.881 564 D CB 1.286 42.125 40.800 0.065 0.000 1.191 564 D HN 0.466 nan 8.370 nan 0.000 0.445 565 V N 0.543 120.486 119.914 0.049 0.000 3.102 565 V HA 0.674 4.834 4.120 0.066 0.000 0.312 565 V C -0.424 175.689 176.094 0.031 0.000 1.135 565 V CA -0.970 61.359 62.300 0.048 0.000 1.022 565 V CB 1.784 33.633 31.823 0.043 0.000 1.056 565 V HN 0.643 nan 8.190 nan 0.000 0.436 566 D N 1.143 121.559 120.400 0.026 0.000 2.506 566 D HA 0.258 4.938 4.640 0.066 0.000 0.272 566 D C 1.089 177.395 176.300 0.010 0.000 1.214 566 D CA -0.201 53.809 54.000 0.016 0.000 1.067 566 D CB 0.606 41.413 40.800 0.012 0.000 1.117 566 D HN 0.787 nan 8.370 nan 0.000 0.578 567 K N -0.809 119.593 120.400 0.005 0.000 2.360 567 K HA -0.131 4.229 4.320 0.066 0.000 0.201 567 K C 0.169 176.764 176.600 -0.008 0.000 1.046 567 K CA 0.910 57.197 56.287 -0.001 0.000 0.940 567 K CB -0.453 32.045 32.500 -0.003 0.000 0.748 567 K HN 0.227 nan 8.250 nan 0.000 0.465 568 N N 0.956 119.653 118.700 -0.005 0.000 2.273 568 N HA 0.123 4.903 4.740 0.066 0.000 0.231 568 N C -0.229 175.275 175.510 -0.010 0.000 1.134 568 N CA 0.112 53.155 53.050 -0.012 0.000 0.856 568 N CB 0.648 39.130 38.487 -0.009 0.000 1.068 568 N HN 0.138 nan 8.380 nan 0.000 0.510 569 M N -0.669 118.929 119.600 -0.003 0.000 2.899 569 M HA -0.195 4.324 4.480 0.066 0.000 0.195 569 M C -0.686 175.628 176.300 0.024 0.000 0.603 569 M CA 0.917 56.219 55.300 0.003 0.000 0.712 569 M CB -1.867 30.721 32.600 -0.020 0.000 2.569 569 M HN 0.049 nan 8.290 nan 0.000 0.406 570 I N 1.174 121.763 120.570 0.032 0.000 2.460 570 I HA 0.411 4.621 4.170 0.066 0.000 0.298 570 I C -1.712 174.448 176.117 0.072 0.000 0.989 570 I CA -1.997 59.337 61.300 0.056 0.000 1.173 570 I CB 1.617 39.641 38.000 0.040 0.000 1.338 570 I HN -0.142 nan 8.210 nan 0.000 0.456 571 P HA 0.024 nan 4.420 nan 0.000 0.265 571 P C 0.799 178.135 177.300 0.059 0.000 1.187 571 P CA 0.184 63.368 63.100 0.140 0.000 0.766 571 P CB 0.308 32.166 31.700 0.264 0.000 0.820 572 T N -1.000 113.584 114.554 0.049 0.000 3.057 572 T HA 0.258 4.648 4.350 0.066 0.000 0.254 572 T C 1.335 176.020 174.700 -0.024 0.000 1.094 572 T CA 0.793 62.900 62.100 0.011 0.000 1.088 572 T CB -0.495 68.385 68.868 0.019 0.000 0.934 572 T HN 0.604 nan 8.240 nan 0.000 0.497 573 G N 0.992 109.773 108.800 -0.031 0.000 2.253 573 G HA2 -0.192 3.808 3.960 0.066 0.000 0.209 573 G HA3 -0.192 3.808 3.960 0.066 0.000 0.209 573 G C -0.033 174.850 174.900 -0.028 0.000 0.997 573 G CA -0.269 44.761 45.100 -0.117 0.000 0.640 573 G HN 0.585 nan 8.290 nan 0.000 0.496 574 N N 0.404 119.122 118.700 0.030 0.000 2.476 574 N HA 0.657 5.437 4.740 0.066 0.000 0.275 574 N C -0.201 175.378 175.510 0.114 0.000 1.190 574 N CA -0.363 52.723 53.050 0.059 0.000 0.977 574 N CB 0.704 39.214 38.487 0.039 0.000 1.200 574 N HN 0.089 nan 8.380 nan 0.000 0.515 575 I N 1.956 122.590 120.570 0.108 0.000 2.382 575 I HA 0.288 4.498 4.170 0.066 0.000 0.286 575 I C -0.072 176.092 176.117 0.078 0.000 1.002 575 I CA -0.798 60.571 61.300 0.115 0.000 1.135 575 I CB 0.556 38.636 38.000 0.134 0.000 1.288 575 I HN 0.193 nan 8.210 nan 0.000 0.448 576 V N 2.672 122.625 119.914 0.066 0.000 3.046 576 V HA 0.700 4.860 4.120 0.066 0.000 0.316 576 V C -0.458 175.675 176.094 0.065 0.000 1.104 576 V CA -0.860 61.474 62.300 0.057 0.000 1.006 576 V CB 2.543 34.394 31.823 0.048 0.000 1.058 576 V HN 0.476 nan 8.190 nan 0.000 0.440 577 D N 1.887 122.331 120.400 0.074 0.000 2.255 577 D HA 0.497 5.177 4.640 0.066 0.000 0.249 577 D C -0.082 176.293 176.300 0.125 0.000 1.078 577 D CA -0.210 53.851 54.000 0.101 0.000 0.896 577 D CB 1.063 41.913 40.800 0.082 0.000 1.194 577 D HN 0.468 nan 8.370 nan 0.000 0.429 578 R N 1.238 121.859 120.500 0.202 0.000 2.643 578 R HA 0.321 4.701 4.340 0.066 0.000 0.272 578 R C -0.049 176.417 176.300 0.277 0.000 0.995 578 R CA -0.636 55.626 56.100 0.269 0.000 1.032 578 R CB 0.735 31.295 30.300 0.434 0.000 1.126 578 R HN 0.404 nan 8.270 nan 0.000 0.505 579 E N 1.708 122.088 120.200 0.299 0.000 1.941 579 E HA 0.303 4.693 4.350 0.066 0.000 0.275 579 E C -0.412 176.396 176.600 0.347 0.000 1.113 579 E CA 0.022 56.568 56.400 0.243 0.000 0.878 579 E CB 0.433 30.229 29.700 0.160 0.000 1.070 579 E HN 0.304 nan 8.360 nan 0.000 0.399 580 I N 0.883 121.581 120.570 0.213 0.000 2.908 580 I HA 0.438 4.648 4.170 0.066 0.000 0.300 580 I C -1.215 174.887 176.117 -0.025 0.000 1.385 580 I CA -0.800 60.574 61.300 0.123 0.000 1.004 580 I CB 1.543 39.533 38.000 -0.017 0.000 1.309 580 I HN 0.434 nan 8.210 nan 0.000 0.449 581 A N 3.349 126.131 122.820 -0.064 0.000 2.445 581 A HA 0.561 4.921 4.320 0.066 0.000 0.242 581 A C 0.175 177.644 177.584 -0.191 0.000 1.075 581 A CA 0.546 52.527 52.037 -0.092 0.000 0.777 581 A CB 0.119 19.081 19.000 -0.063 0.000 1.013 581 A HN 0.764 nan 8.150 nan 0.000 0.493 582 T N -1.697 112.754 114.554 -0.173 0.000 2.919 582 T HA 0.571 4.961 4.350 0.066 0.000 0.282 582 T C 0.485 175.103 174.700 -0.136 0.000 1.020 582 T CA -0.423 61.501 62.100 -0.294 0.000 0.994 582 T CB 0.287 68.990 68.868 -0.275 0.000 1.180 582 T HN 0.288 nan 8.240 nan 0.000 0.566 583 F N 0.837 120.705 119.950 -0.137 0.000 2.408 583 F HA 0.118 4.685 4.527 0.066 0.000 0.300 583 F C 2.155 177.897 175.800 -0.097 0.000 1.090 583 F CA 0.287 58.212 58.000 -0.126 0.000 1.427 583 F CB -1.075 37.850 39.000 -0.125 0.000 1.070 583 F HN 0.493 nan 8.300 nan 0.000 0.549 584 N N -0.478 118.268 118.700 0.076 0.000 2.280 584 N HA 0.016 4.796 4.740 0.066 0.000 0.192 584 N C 0.312 175.824 175.510 0.005 0.000 1.109 584 N CA 0.170 53.239 53.050 0.032 0.000 0.855 584 N CB 0.075 38.571 38.487 0.014 0.000 0.974 584 N HN 0.022 nan 8.380 nan 0.000 0.482 585 S N 0.210 115.907 115.700 -0.006 0.000 2.568 585 S HA -0.013 4.497 4.470 0.066 0.000 0.282 585 S C 1.826 176.420 174.600 -0.010 0.000 1.338 585 S CA -0.009 58.183 58.200 -0.013 0.000 1.045 585 S CB 1.340 64.527 63.200 -0.022 0.000 0.873 585 S HN 0.446 nan 8.310 nan 0.000 0.516 586 T N 0.186 114.734 114.554 -0.011 0.000 2.904 586 T HA 0.037 4.427 4.350 0.066 0.000 0.267 586 T C 0.398 175.090 174.700 -0.015 0.000 1.059 586 T CA 0.771 62.864 62.100 -0.013 0.000 1.137 586 T CB -0.023 68.838 68.868 -0.010 0.000 0.879 586 T HN 0.307 nan 8.240 nan 0.000 0.467 587 K N 1.872 122.265 120.400 -0.011 0.000 2.385 587 K HA 0.566 4.926 4.320 0.066 0.000 0.248 587 K C -2.851 173.742 176.600 -0.011 0.000 0.955 587 K CA -2.486 53.796 56.287 -0.009 0.000 0.816 587 K CB 1.962 34.461 32.500 -0.002 0.000 1.250 587 K HN 0.126 nan 8.250 nan 0.000 0.434 588 P HA 0.223 nan 4.420 nan 0.000 0.280 588 P C -0.530 176.765 177.300 -0.007 0.000 1.272 588 P CA -0.395 62.694 63.100 -0.018 0.000 0.819 588 P CB 0.486 32.179 31.700 -0.013 0.000 1.122 589 T N 0.543 115.088 114.554 -0.015 0.000 2.794 589 T HA 0.241 4.631 4.350 0.066 0.000 0.296 589 T C 0.072 174.787 174.700 0.026 0.000 0.949 589 T CA -0.118 62.000 62.100 0.030 0.000 1.101 589 T CB -0.034 68.869 68.868 0.058 0.000 0.905 589 T HN 0.057 nan 8.240 nan 0.000 0.516 590 V N 6.125 126.061 119.914 0.037 0.000 2.383 590 V HA 0.332 4.492 4.120 0.066 0.000 0.275 590 V C 0.281 176.399 176.094 0.041 0.000 1.036 590 V CA -0.806 61.503 62.300 0.015 0.000 0.889 590 V CB 0.946 32.769 31.823 -0.001 0.000 0.985 590 V HN 0.718 nan 8.190 nan 0.000 0.459 591 L N 4.944 126.187 121.223 0.032 0.000 2.290 591 L HA 0.570 4.950 4.340 0.066 0.000 0.284 591 L C 1.053 177.947 176.870 0.041 0.000 1.078 591 L CA 0.093 54.969 54.840 0.059 0.000 0.815 591 L CB 0.740 42.834 42.059 0.058 0.000 1.162 591 L HN 0.778 nan 8.230 nan 0.000 0.435 592 G N 2.723 111.545 108.800 0.037 0.000 2.535 592 G HA2 0.373 4.373 3.960 0.066 0.000 0.303 592 G HA3 0.373 4.373 3.960 0.066 0.000 0.303 592 G C -1.688 173.226 174.900 0.025 0.000 1.237 592 G CA -0.984 44.132 45.100 0.027 0.000 0.986 592 G HN 0.468 nan 8.290 nan 0.000 0.494 593 P HA -0.059 nan 4.420 nan 0.000 0.219 593 P C 0.858 178.159 177.300 0.002 0.000 1.146 593 P CA 1.530 64.641 63.100 0.017 0.000 0.808 593 P CB 0.345 32.054 31.700 0.016 0.000 0.779 594 K N -2.782 117.615 120.400 -0.004 0.000 2.443 594 K HA 0.190 4.550 4.320 0.066 0.000 0.200 594 K C 0.740 177.320 176.600 -0.034 0.000 1.278 594 K CA 0.060 56.335 56.287 -0.019 0.000 0.925 594 K CB 0.563 33.056 32.500 -0.012 0.000 1.225 594 K HN 0.040 nan 8.250 nan 0.000 0.514 595 N N 0.647 119.333 118.700 -0.024 0.000 2.571 595 N HA 0.352 5.132 4.740 0.066 0.000 0.273 595 N C -2.939 172.567 175.510 -0.007 0.000 1.340 595 N CA -1.510 51.516 53.050 -0.039 0.000 0.789 595 N CB 2.094 40.556 38.487 -0.042 0.000 1.514 595 N HN -0.186 nan 8.380 nan 0.000 0.499 596 P HA 0.168 nan 4.420 nan 0.000 0.274 596 P C -1.095 176.091 177.300 -0.189 0.000 1.246 596 P CA -0.072 62.956 63.100 -0.119 0.000 0.795 596 P CB 0.926 32.568 31.700 -0.098 0.000 1.006 597 Q N 0.655 120.238 119.800 -0.362 0.000 2.331 597 Q HA 0.553 4.933 4.340 0.066 0.000 0.267 597 Q C -1.074 174.644 176.000 -0.470 0.000 1.006 597 Q CA -0.299 55.328 55.803 -0.293 0.000 0.818 597 Q CB 1.392 30.022 28.738 -0.181 0.000 1.276 597 Q HN 0.376 nan 8.270 nan 0.000 0.450 598 F N 0.785 120.710 119.950 -0.041 0.000 2.563 598 F HA 0.365 4.931 4.527 0.066 0.000 0.316 598 F C -0.053 175.785 175.800 0.064 0.000 1.076 598 F CA -0.719 57.292 58.000 0.019 0.000 0.921 598 F CB 2.005 41.031 39.000 0.043 0.000 1.209 598 F HN 0.415 nan 8.300 nan 0.000 0.462 599 D N 1.818 122.408 120.400 0.316 0.000 3.250 599 D HA 0.281 4.961 4.640 0.066 0.000 0.252 599 D C -1.428 174.957 176.300 0.143 0.000 1.342 599 D CA -0.066 54.101 54.000 0.278 0.000 0.807 599 D CB 0.310 41.301 40.800 0.318 0.000 1.449 599 D HN 0.615 nan 8.370 nan 0.000 0.610 600 C N -0.651 118.706 119.300 0.096 0.000 3.171 600 C HA 0.779 5.279 4.460 0.066 0.000 0.308 600 C C 0.038 174.898 174.990 -0.217 0.000 1.334 600 C CA -1.156 57.802 59.018 -0.100 0.000 1.473 600 C CB 1.123 28.720 27.740 -0.238 0.000 1.866 600 C HN 0.519 nan 8.230 nan 0.000 0.465 601 C N 2.278 121.415 119.300 -0.271 0.000 2.246 601 C HA 0.714 5.214 4.460 0.066 0.000 0.329 601 C C -0.317 174.404 174.990 -0.448 0.000 1.221 601 C CA -0.313 58.537 59.018 -0.280 0.000 1.697 601 C CB -2.109 25.530 27.740 -0.167 0.000 2.312 601 C HN 0.687 nan 8.230 nan 0.000 0.509 602 F N 4.565 124.218 119.950 -0.496 0.000 2.384 602 F HA 0.485 5.051 4.527 0.066 0.000 0.338 602 F C 0.573 175.994 175.800 -0.631 0.000 1.103 602 F CA -0.303 57.288 58.000 -0.681 0.000 1.157 602 F CB 1.277 39.522 39.000 -1.257 0.000 1.167 602 F HN 0.252 nan 8.300 nan 0.000 0.529 603 V N 4.489 124.320 119.914 -0.137 0.000 2.439 603 V HA 0.099 4.259 4.120 0.066 0.000 0.282 603 V C 0.641 176.745 176.094 0.017 0.000 1.039 603 V CA -0.418 61.829 62.300 -0.088 0.000 0.913 603 V CB 1.496 33.326 31.823 0.011 0.000 0.983 603 V HN 0.751 nan 8.190 nan 0.000 0.460 604 V N 2.326 122.269 119.914 0.048 0.000 2.323 604 V HA -0.036 4.124 4.120 0.066 0.000 0.244 604 V C 0.720 176.849 176.094 0.059 0.000 1.041 604 V CA 1.846 64.207 62.300 0.103 0.000 1.025 604 V CB -0.073 31.797 31.823 0.079 0.000 0.656 604 V HN 1.018 nan 8.190 nan 0.000 0.451 605 D N -1.112 119.322 120.400 0.056 0.000 2.505 605 D HA 0.137 4.817 4.640 0.066 0.000 0.250 605 D C 0.821 177.172 176.300 0.085 0.000 1.164 605 D CA -0.367 53.670 54.000 0.060 0.000 0.870 605 D CB 1.451 42.284 40.800 0.055 0.000 1.160 605 D HN 0.235 nan 8.370 nan 0.000 0.549 606 E N 2.985 123.233 120.200 0.079 0.000 2.267 606 E HA -0.214 4.175 4.350 0.066 0.000 0.197 606 E C 0.559 177.227 176.600 0.113 0.000 0.998 606 E CA 0.681 57.142 56.400 0.101 0.000 0.830 606 E CB 0.342 30.091 29.700 0.082 0.000 0.751 606 E HN 0.356 nan 8.360 nan 0.000 0.491 607 N N 0.620 119.375 118.700 0.092 0.000 2.251 607 N HA 0.001 4.781 4.740 0.066 0.000 0.181 607 N C 0.131 175.703 175.510 0.104 0.000 1.019 607 N CA 0.808 53.910 53.050 0.087 0.000 0.862 607 N CB -0.356 38.170 38.487 0.064 0.000 0.992 607 N HN 0.137 nan 8.380 nan 0.000 0.429 608 A N 1.312 124.200 122.820 0.112 0.000 2.608 608 A HA -0.072 4.287 4.320 0.066 0.000 0.239 608 A C -0.192 177.487 177.584 0.159 0.000 1.018 608 A CA 0.513 52.625 52.037 0.125 0.000 0.766 608 A CB -0.163 18.910 19.000 0.121 0.000 0.928 608 A HN 0.296 nan 8.150 nan 0.000 0.512 609 K N 3.934 124.412 120.400 0.131 0.000 2.357 609 K HA 0.389 4.749 4.320 0.066 0.000 0.251 609 K C -2.706 173.977 176.600 0.138 0.000 1.069 609 K CA -1.450 54.914 56.287 0.129 0.000 0.994 609 K CB 0.599 33.152 32.500 0.088 0.000 1.411 609 K HN 0.458 nan 8.250 nan 0.000 0.450 610 P HA -0.046 nan 4.420 nan 0.000 0.259 610 P C -0.068 177.324 177.300 0.153 0.000 1.211 610 P CA 0.093 63.309 63.100 0.195 0.000 0.810 610 P CB 0.892 32.767 31.700 0.291 0.000 0.815 611 S N 1.439 117.210 115.700 0.118 0.000 2.589 611 S HA 0.080 4.590 4.470 0.066 0.000 0.235 611 S C 0.527 175.180 174.600 0.089 0.000 1.051 611 S CA -0.276 57.984 58.200 0.099 0.000 0.978 611 S CB -0.061 63.184 63.200 0.076 0.000 0.929 611 S HN 0.391 nan 8.310 nan 0.000 0.523 612 Q N 0.773 120.621 119.800 0.080 0.000 2.279 612 Q HA 0.474 4.854 4.340 0.066 0.000 0.256 612 Q C 0.392 176.429 176.000 0.062 0.000 0.937 612 Q CA -0.339 55.500 55.803 0.059 0.000 0.933 612 Q CB 1.565 30.322 28.738 0.031 0.000 1.189 612 Q HN 0.269 nan 8.270 nan 0.000 0.417 613 I N 2.209 122.819 120.570 0.067 0.000 2.761 613 I HA -0.087 4.123 4.170 0.066 0.000 0.261 613 I C -0.153 175.958 176.117 -0.009 0.000 1.198 613 I CA 0.909 62.267 61.300 0.096 0.000 1.482 613 I CB 0.258 38.337 38.000 0.132 0.000 1.100 613 I HN 0.534 nan 8.210 nan 0.000 0.445 614 N N -0.357 118.314 118.700 -0.048 0.000 2.504 614 N HA 0.149 4.929 4.740 0.066 0.000 0.280 614 N C 0.278 175.730 175.510 -0.097 0.000 1.052 614 N CA 0.261 53.234 53.050 -0.128 0.000 0.887 614 N CB 1.258 39.699 38.487 -0.076 0.000 1.323 614 N HN 0.114 nan 8.380 nan 0.000 0.509 615 T N 0.866 115.341 114.554 -0.131 0.000 3.122 615 T HA 0.158 4.547 4.350 0.066 0.000 0.250 615 T C 1.837 176.491 174.700 -0.077 0.000 1.067 615 T CA -0.090 61.961 62.100 -0.083 0.000 0.966 615 T CB -0.272 68.548 68.868 -0.080 0.000 1.002 615 T HN 0.417 nan 8.240 nan 0.000 0.542 616 L N 0.916 122.085 121.223 -0.089 0.000 2.261 616 L HA -0.013 4.367 4.340 0.066 0.000 0.216 616 L C 2.063 178.902 176.870 -0.052 0.000 1.114 616 L CA 0.900 55.696 54.840 -0.073 0.000 0.777 616 L CB -0.495 41.519 42.059 -0.075 0.000 0.910 616 L HN 0.348 nan 8.230 nan 0.000 0.440 617 N N -0.365 118.309 118.700 -0.042 0.000 2.236 617 N HA 0.077 4.857 4.740 0.066 0.000 0.196 617 N C 0.095 175.589 175.510 -0.027 0.000 1.114 617 N CA 0.026 53.057 53.050 -0.031 0.000 0.859 617 N CB 0.165 38.638 38.487 -0.023 0.000 0.982 617 N HN 0.472 nan 8.380 nan 0.000 0.493 618 N N 1.114 119.796 118.700 -0.030 0.000 2.347 618 N HA -0.001 4.779 4.740 0.066 0.000 0.253 618 N C 0.274 175.768 175.510 -0.026 0.000 1.274 618 N CA -0.332 52.704 53.050 -0.023 0.000 0.941 618 N CB 0.949 39.423 38.487 -0.022 0.000 1.200 618 N HN 0.238 nan 8.380 nan 0.000 0.514 619 E N 0.855 121.042 120.200 -0.022 0.000 2.398 619 E HA 0.005 4.395 4.350 0.066 0.000 0.263 619 E C -0.871 175.709 176.600 -0.033 0.000 1.046 619 E CA -0.523 55.861 56.400 -0.026 0.000 0.908 619 E CB 0.667 30.355 29.700 -0.020 0.000 0.963 619 E HN 0.277 nan 8.360 nan 0.000 0.431 620 L N 4.396 125.595 121.223 -0.040 0.000 2.334 620 L HA 0.203 4.582 4.340 0.066 0.000 0.286 620 L C -0.814 176.026 176.870 -0.051 0.000 1.108 620 L CA 0.176 54.987 54.840 -0.049 0.000 0.875 620 L CB 0.413 42.440 42.059 -0.053 0.000 1.246 620 L HN 0.536 nan 8.230 nan 0.000 0.439 621 T N 5.535 120.059 114.554 -0.050 0.000 2.832 621 T HA 0.280 4.670 4.350 0.066 0.000 0.296 621 T C -0.160 174.499 174.700 -0.069 0.000 0.968 621 T CA -0.367 61.705 62.100 -0.047 0.000 1.107 621 T CB 0.827 69.674 68.868 -0.036 0.000 0.916 621 T HN 0.464 nan 8.240 nan 0.000 0.517 622 L N 5.704 126.895 121.223 -0.053 0.000 2.418 622 L HA 0.320 4.700 4.340 0.066 0.000 0.274 622 L C 0.741 177.622 176.870 0.017 0.000 1.135 622 L CA 0.265 55.065 54.840 -0.067 0.000 0.870 622 L CB -0.264 41.713 42.059 -0.136 0.000 1.154 622 L HN 0.760 nan 8.230 nan 0.000 0.462 623 I N 2.760 123.245 120.570 -0.142 0.000 4.244 623 I HA 0.377 4.587 4.170 0.066 0.000 0.318 623 I C -0.328 175.542 176.117 -0.412 0.000 1.282 623 I CA -0.123 60.921 61.300 -0.427 0.000 1.276 623 I CB 0.510 37.935 38.000 -0.959 0.000 1.183 623 I HN 0.285 nan 8.210 nan 0.000 0.431 624 V N 1.631 121.408 119.914 -0.229 0.000 2.808 624 V HA 0.459 4.618 4.120 0.066 0.000 0.308 624 V C -0.927 175.092 176.094 -0.126 0.000 1.099 624 V CA -0.695 61.483 62.300 -0.203 0.000 0.920 624 V CB 2.135 33.764 31.823 -0.324 0.000 1.014 624 V HN 0.142 nan 8.190 nan 0.000 0.425 625 K N 2.593 122.949 120.400 -0.074 0.000 2.376 625 K HA 0.870 5.230 4.320 0.066 0.000 0.257 625 K C -0.724 175.799 176.600 -0.128 0.000 0.939 625 K CA -0.409 55.798 56.287 -0.133 0.000 0.809 625 K CB 2.391 34.805 32.500 -0.143 0.000 1.121 625 K HN 0.886 nan 8.250 nan 0.000 0.425 626 A N 3.072 125.832 122.820 -0.100 0.000 2.371 626 A HA 0.768 5.128 4.320 0.066 0.000 0.311 626 A C -1.733 175.921 177.584 0.117 0.000 1.068 626 A CA -0.605 51.403 52.037 -0.048 0.000 0.744 626 A CB 0.719 19.698 19.000 -0.035 0.000 1.239 626 A HN 0.663 nan 8.150 nan 0.000 0.435 627 F N 2.378 122.295 119.950 -0.055 0.000 2.591 627 F HA 0.555 5.121 4.527 0.066 0.000 0.309 627 F C -1.080 174.731 175.800 0.018 0.000 1.098 627 F CA -0.520 57.476 58.000 -0.007 0.000 0.937 627 F CB 1.811 40.782 39.000 -0.049 0.000 1.250 627 F HN 0.663 nan 8.300 nan 0.000 0.447 628 H N 7.499 125.989 119.070 -0.968 0.000 2.762 628 H HA 0.360 4.956 4.556 0.066 0.000 0.310 628 H C -2.179 172.431 175.328 -1.198 0.000 1.004 628 H CA -2.214 53.374 56.048 -0.768 0.000 1.267 628 H CB 2.330 31.911 29.762 -0.302 0.000 1.437 628 H HN 0.381 nan 8.280 nan 0.000 0.498 629 P HA -0.108 nan 4.420 nan 0.000 0.220 629 P C 0.632 177.909 177.300 -0.038 0.000 1.148 629 P CA 0.920 63.790 63.100 -0.384 0.000 0.803 629 P CB 0.691 32.352 31.700 -0.065 0.000 0.782 630 D N -0.553 119.976 120.400 0.215 0.000 2.277 630 D HA -0.059 4.621 4.640 0.066 0.000 0.208 630 D C 1.909 178.221 176.300 0.019 0.000 0.962 630 D CA 1.359 55.435 54.000 0.127 0.000 0.865 630 D CB -0.230 40.642 40.800 0.119 0.000 0.939 630 D HN 0.316 nan 8.370 nan 0.000 0.510 631 S N -0.827 114.860 115.700 -0.022 0.000 2.505 631 S HA 0.042 4.552 4.470 0.066 0.000 0.216 631 S C 0.924 175.517 174.600 -0.011 0.000 1.018 631 S CA 0.122 58.291 58.200 -0.052 0.000 0.911 631 S CB 0.398 63.540 63.200 -0.096 0.000 0.818 631 S HN 0.034 nan 8.310 nan 0.000 0.497 632 N N 0.351 119.018 118.700 -0.054 0.000 2.800 632 N HA -0.133 4.646 4.740 0.066 0.000 0.250 632 N C -0.854 174.790 175.510 0.222 0.000 1.078 632 N CA 0.741 53.860 53.050 0.115 0.000 0.804 632 N CB -2.001 36.593 38.487 0.177 0.000 1.135 632 N HN 0.705 nan 8.380 nan 0.000 0.565 633 I N 0.284 120.899 120.570 0.075 0.000 2.396 633 I HA 0.239 4.449 4.170 0.066 0.000 0.292 633 I C 0.561 176.868 176.117 0.317 0.000 0.999 633 I CA -0.249 61.165 61.300 0.191 0.000 1.310 633 I CB 1.575 39.664 38.000 0.149 0.000 1.404 633 I HN -0.021 nan 8.210 nan 0.000 0.496 634 T N 6.792 121.548 114.554 0.337 0.000 2.829 634 T HA 0.578 4.968 4.350 0.066 0.000 0.280 634 T C -0.796 173.953 174.700 0.082 0.000 0.999 634 T CA -0.430 61.833 62.100 0.271 0.000 0.983 634 T CB 1.675 70.637 68.868 0.157 0.000 0.968 634 T HN 0.290 nan 8.240 nan 0.000 0.446 635 L N 2.721 123.900 121.223 -0.074 0.000 2.362 635 L HA 0.680 5.060 4.340 0.066 0.000 0.275 635 L C -0.872 175.770 176.870 -0.380 0.000 0.998 635 L CA -0.267 54.311 54.840 -0.437 0.000 0.820 635 L CB 1.705 43.460 42.059 -0.506 0.000 1.270 635 L HN 0.604 nan 8.230 nan 0.000 0.415 636 E N 3.775 123.701 120.200 -0.455 0.000 2.234 636 E HA 0.617 5.007 4.350 0.066 0.000 0.266 636 E C -1.465 174.963 176.600 -0.286 0.000 0.877 636 E CA -0.886 55.320 56.400 -0.324 0.000 0.758 636 E CB 2.660 32.197 29.700 -0.272 0.000 1.170 636 E HN 0.450 nan 8.360 nan 0.000 0.415 637 V N 3.981 123.766 119.914 -0.214 0.000 2.513 637 V HA 0.483 4.643 4.120 0.066 0.000 0.299 637 V C -0.654 175.373 176.094 -0.112 0.000 1.035 637 V CA -0.713 61.535 62.300 -0.088 0.000 0.889 637 V CB 1.184 32.974 31.823 -0.055 0.000 0.988 637 V HN 0.471 nan 8.190 nan 0.000 0.440 638 L N 3.116 124.300 121.223 -0.064 0.000 2.350 638 L HA 0.892 5.272 4.340 0.066 0.000 0.260 638 L C -0.219 176.611 176.870 -0.067 0.000 1.015 638 L CA -0.141 54.644 54.840 -0.092 0.000 0.821 638 L CB 2.217 44.222 42.059 -0.088 0.000 1.370 638 L HN 0.696 nan 8.230 nan 0.000 0.416 639 S N -1.764 113.891 115.700 -0.074 0.000 2.565 639 S HA 0.454 4.964 4.470 0.066 0.000 0.269 639 S C 0.229 174.802 174.600 -0.046 0.000 1.153 639 S CA 0.151 58.323 58.200 -0.047 0.000 0.835 639 S CB 1.463 64.650 63.200 -0.020 0.000 1.122 639 S HN 0.802 nan 8.310 nan 0.000 0.462 640 T N -0.257 114.273 114.554 -0.041 0.000 3.107 640 T HA 0.286 4.675 4.350 0.066 0.000 0.249 640 T C 0.279 174.956 174.700 -0.039 0.000 1.096 640 T CA -0.019 62.056 62.100 -0.042 0.000 1.012 640 T CB -0.142 68.695 68.868 -0.052 0.000 0.977 640 T HN 0.475 nan 8.240 nan 0.000 0.527 641 E N 2.519 122.699 120.200 -0.033 0.000 2.373 641 E HA 0.174 4.564 4.350 0.066 0.000 0.263 641 E C -1.506 175.060 176.600 -0.056 0.000 1.073 641 E CA -2.225 54.149 56.400 -0.044 0.000 0.894 641 E CB 1.105 30.786 29.700 -0.031 0.000 1.008 641 E HN 0.143 nan 8.360 nan 0.000 0.420 642 P HA -0.067 nan 4.420 nan 0.000 0.220 642 P C 0.542 177.683 177.300 -0.265 0.000 1.152 642 P CA 1.157 64.151 63.100 -0.177 0.000 0.812 642 P CB 0.321 31.875 31.700 -0.243 0.000 0.792 643 T N -2.419 111.941 114.554 -0.324 0.000 2.831 643 T HA 0.631 5.021 4.350 0.066 0.000 0.287 643 T C -1.298 173.418 174.700 0.027 0.000 1.070 643 T CA -0.867 61.069 62.100 -0.273 0.000 1.010 643 T CB 1.688 70.189 68.868 -0.613 0.000 1.264 643 T HN 0.159 nan 8.240 nan 0.000 0.532 644 Y N -1.181 119.076 120.300 -0.072 0.000 2.399 644 Y HA 0.718 5.308 4.550 0.066 0.000 0.327 644 Y C -0.712 175.256 175.900 0.113 0.000 1.111 644 Y CA -1.389 56.726 58.100 0.025 0.000 1.047 644 Y CB 1.370 39.861 38.460 0.052 0.000 1.259 644 Y HN 0.720 nan 8.280 nan 0.000 0.434 645 Q N 3.002 122.911 119.800 0.182 0.000 2.261 645 Q HA 0.458 4.837 4.340 0.066 0.000 0.252 645 Q C -1.967 174.267 176.000 0.390 0.000 0.915 645 Q CA -0.390 55.517 55.803 0.174 0.000 0.915 645 Q CB 0.914 29.719 28.738 0.112 0.000 1.204 645 Q HN 0.662 nan 8.270 nan 0.000 0.421 646 F N 5.242 125.331 119.950 0.232 0.000 2.477 646 F HA 0.490 5.057 4.527 0.066 0.000 0.335 646 F C -2.024 174.001 175.800 0.375 0.000 1.130 646 F CA -1.011 57.180 58.000 0.318 0.000 0.948 646 F CB 0.963 40.191 39.000 0.379 0.000 1.154 646 F HN 0.573 nan 8.300 nan 0.000 0.439 647 Y N 4.511 124.653 120.300 -0.263 0.000 2.386 647 Y HA 0.301 4.891 4.550 0.066 0.000 0.334 647 Y C 0.357 176.102 175.900 -0.259 0.000 1.002 647 Y CA -1.190 56.782 58.100 -0.213 0.000 1.068 647 Y CB 1.797 40.277 38.460 0.032 0.000 1.203 647 Y HN 0.630 nan 8.280 nan 0.000 0.443 648 T N 0.925 115.138 114.554 -0.569 0.000 3.252 648 T HA 0.242 4.632 4.350 0.066 0.000 0.250 648 T C 1.324 175.679 174.700 -0.575 0.000 1.123 648 T CA 0.333 62.156 62.100 -0.462 0.000 1.006 648 T CB -0.757 67.976 68.868 -0.225 0.000 0.992 648 T HN 1.675 nan 8.240 nan 0.000 0.547 649 G N 2.042 110.086 108.800 -1.260 0.000 2.283 649 G HA2 -0.271 3.729 3.960 0.066 0.000 0.280 649 G HA3 -0.271 3.729 3.960 0.066 0.000 0.280 649 G C 0.504 175.144 174.900 -0.432 0.000 1.029 649 G CA 0.348 44.976 45.100 -0.787 0.000 0.840 649 G HN 0.564 nan 8.290 nan 0.000 0.505 650 D N -0.511 119.533 120.400 -0.594 0.000 2.219 650 D HA -0.054 4.626 4.640 0.066 0.000 0.205 650 D C 1.609 177.593 176.300 -0.525 0.000 0.970 650 D CA 1.027 54.664 54.000 -0.605 0.000 0.851 650 D CB -0.071 40.197 40.800 -0.885 0.000 0.943 650 D HN 0.636 nan 8.370 nan 0.000 0.488 651 F N 0.713 120.839 119.950 0.294 0.000 2.668 651 F HA 0.260 4.827 4.527 0.066 0.000 0.297 651 F C 0.803 176.739 175.800 0.228 0.000 1.124 651 F CA -0.581 57.571 58.000 0.254 0.000 1.353 651 F CB -0.088 39.068 39.000 0.259 0.000 0.992 651 F HN -0.286 nan 8.300 nan 0.000 0.524 652 L N 1.718 123.067 121.223 0.211 0.000 2.513 652 L HA 0.039 4.419 4.340 0.066 0.000 0.272 652 L C 0.854 177.807 176.870 0.138 0.000 1.187 652 L CA 0.153 55.069 54.840 0.127 0.000 0.895 652 L CB 0.412 42.453 42.059 -0.030 0.000 1.147 652 L HN 0.376 nan 8.230 nan 0.000 0.483 653 S N 2.445 118.230 115.700 0.142 0.000 2.993 653 S HA 0.710 5.220 4.470 0.066 0.000 0.281 653 S C 0.417 175.094 174.600 0.128 0.000 1.033 653 S CA -0.268 58.005 58.200 0.121 0.000 0.950 653 S CB 0.950 64.219 63.200 0.116 0.000 1.349 653 S HN 0.920 nan 8.310 nan 0.000 0.652 654 A N -0.102 122.770 122.820 0.087 0.000 2.208 654 A HA 0.224 4.584 4.320 0.066 0.000 0.277 654 A C 1.557 179.199 177.584 0.097 0.000 1.377 654 A CA 1.288 53.369 52.037 0.072 0.000 0.758 654 A CB -2.074 16.969 19.000 0.071 0.000 1.122 654 A HN 2.810 nan 8.150 nan 0.000 0.350 655 G N -2.510 106.274 108.800 -0.027 0.000 2.258 655 G HA2 -0.274 3.725 3.960 0.066 0.000 0.233 655 G HA3 -0.274 3.725 3.960 0.066 0.000 0.233 655 G C 0.119 174.711 174.900 -0.515 0.000 1.006 655 G CA 0.625 45.594 45.100 -0.219 0.000 0.620 655 G HN 1.402 nan 8.290 nan 0.000 0.511 656 Y N 1.635 121.915 120.300 -0.034 0.000 2.621 656 Y HA 0.615 5.205 4.550 0.066 0.000 0.334 656 Y C 0.686 176.554 175.900 -0.053 0.000 1.074 656 Y CA -0.604 57.447 58.100 -0.081 0.000 1.149 656 Y CB 1.164 39.526 38.460 -0.163 0.000 1.302 656 Y HN 0.331 nan 8.280 nan 0.000 0.501 657 E N 0.654 120.946 120.200 0.154 0.000 2.264 657 E HA 0.715 5.105 4.350 0.066 0.000 0.260 657 E C -0.997 175.632 176.600 0.048 0.000 0.961 657 E CA -1.356 55.090 56.400 0.078 0.000 0.834 657 E CB 1.530 31.256 29.700 0.043 0.000 1.230 657 E HN 0.652 nan 8.360 nan 0.000 0.412 658 A N 1.371 124.204 122.820 0.022 0.000 2.584 658 A HA -0.048 4.311 4.320 0.066 0.000 0.239 658 A C 0.433 177.987 177.584 -0.050 0.000 1.043 658 A CA 0.738 52.759 52.037 -0.027 0.000 0.756 658 A CB -0.579 18.403 19.000 -0.030 0.000 0.963 658 A HN 0.808 nan 8.150 nan 0.000 0.511 659 R N 0.637 121.076 120.500 -0.102 0.000 3.878 659 R HA -0.210 4.170 4.340 0.066 0.000 0.330 659 R C 0.703 176.988 176.300 -0.025 0.000 1.186 659 R CA 1.406 57.463 56.100 -0.072 0.000 0.885 659 R CB -1.855 28.414 30.300 -0.051 0.000 1.377 659 R HN 0.917 nan 8.270 nan 0.000 0.523 660 Q N -0.076 119.692 119.800 -0.053 0.000 2.451 660 Q HA 0.130 4.509 4.340 0.066 0.000 0.206 660 Q C 1.024 176.963 176.000 -0.101 0.000 0.947 660 Q CA 0.978 56.749 55.803 -0.053 0.000 0.937 660 Q CB 0.970 29.697 28.738 -0.019 0.000 1.025 660 Q HN 0.478 nan 8.270 nan 0.000 0.511 661 G N 0.673 109.428 108.800 -0.074 0.000 2.646 661 G HA2 0.470 4.470 3.960 0.066 0.000 0.291 661 G HA3 0.470 4.470 3.960 0.066 0.000 0.291 661 G C -1.681 173.310 174.900 0.151 0.000 1.445 661 G CA -0.856 44.232 45.100 -0.020 0.000 0.814 661 G HN 0.144 nan 8.290 nan 0.000 0.495 662 F N -0.395 119.654 119.950 0.164 0.000 2.551 662 F HA 0.903 5.470 4.527 0.066 0.000 0.316 662 F C 0.024 175.889 175.800 0.108 0.000 1.089 662 F CA -1.620 56.427 58.000 0.079 0.000 0.915 662 F CB 1.876 40.937 39.000 0.102 0.000 1.186 662 F HN 0.724 nan 8.300 nan 0.000 0.456 663 A N 3.887 126.723 122.820 0.027 0.000 2.325 663 A HA 0.868 5.227 4.320 0.066 0.000 0.333 663 A C -0.947 176.807 177.584 0.283 0.000 1.155 663 A CA -0.854 51.105 52.037 -0.130 0.000 0.814 663 A CB 0.821 19.447 19.000 -0.623 0.000 1.206 663 A HN 0.840 nan 8.150 nan 0.000 0.482 664 I N 1.543 122.273 120.570 0.268 0.000 2.503 664 I HA 0.246 4.455 4.170 0.066 0.000 0.282 664 I C -0.820 175.437 176.117 0.234 0.000 1.059 664 I CA 0.091 61.612 61.300 0.369 0.000 1.081 664 I CB 1.805 40.028 38.000 0.372 0.000 1.210 664 I HN 0.715 nan 8.210 nan 0.000 0.450 665 E N 7.564 127.874 120.200 0.184 0.000 2.256 665 E HA 0.321 4.710 4.350 0.066 0.000 0.243 665 E C -2.545 174.138 176.600 0.138 0.000 0.925 665 E CA -1.911 54.556 56.400 0.110 0.000 0.748 665 E CB 1.104 30.798 29.700 -0.010 0.000 1.206 665 E HN 0.220 nan 8.360 nan 0.000 0.428 666 P HA 0.132 nan 4.420 nan 0.000 0.268 666 P C 0.191 177.519 177.300 0.047 0.000 1.205 666 P CA 0.162 63.337 63.100 0.124 0.000 0.771 666 P CB 1.238 32.999 31.700 0.101 0.000 0.858 667 G N 2.129 110.917 108.800 -0.020 0.000 2.435 667 G HA2 0.293 4.293 3.960 0.066 0.000 0.228 667 G HA3 0.293 4.293 3.960 0.066 0.000 0.228 667 G C -1.418 173.371 174.900 -0.185 0.000 1.198 667 G CA -0.727 44.324 45.100 -0.082 0.000 0.948 667 G HN 0.341 nan 8.290 nan 0.000 0.487 668 R N 0.397 120.774 120.500 -0.206 0.000 2.494 668 R HA 0.583 4.963 4.340 0.066 0.000 0.284 668 R C -0.668 175.549 176.300 -0.139 0.000 1.525 668 R CA -0.436 55.529 56.100 -0.225 0.000 1.460 668 R CB 0.233 30.529 30.300 -0.007 0.000 1.134 668 R HN 0.619 nan 8.270 nan 0.000 0.592 669 Y N -0.165 119.960 120.300 -0.293 0.000 2.914 669 Y HA -0.391 4.199 4.550 0.066 0.000 0.465 669 Y C 0.310 176.124 175.900 -0.143 0.000 1.209 669 Y CA 0.486 58.350 58.100 -0.394 0.000 2.458 669 Y CB -0.741 37.176 38.460 -0.905 0.000 1.245 669 Y HN 0.334 nan 8.280 nan 0.000 0.635 670 I N 0.503 121.177 120.570 0.174 0.000 2.582 670 I HA 0.322 4.532 4.170 0.066 0.000 0.292 670 I C -0.015 176.303 176.117 0.335 0.000 1.066 670 I CA -0.510 60.916 61.300 0.210 0.000 1.053 670 I CB 1.759 39.853 38.000 0.156 0.000 1.241 670 I HN 0.766 nan 8.210 nan 0.000 0.421 671 D N 4.032 124.624 120.400 0.320 0.000 2.882 671 D HA -0.269 4.410 4.640 0.066 0.000 0.229 671 D C 1.452 177.954 176.300 0.337 0.000 1.167 671 D CA 1.117 55.278 54.000 0.269 0.000 0.759 671 D CB 0.022 40.933 40.800 0.185 0.000 1.088 671 D HN 0.734 nan 8.370 nan 0.000 0.425 672 A N -0.251 122.856 122.820 0.478 0.000 1.948 672 A HA -0.221 4.139 4.320 0.066 0.000 0.220 672 A C 2.220 179.997 177.584 0.322 0.000 1.177 672 A CA 1.617 53.958 52.037 0.506 0.000 0.636 672 A CB -0.490 18.803 19.000 0.488 0.000 0.815 672 A HN 0.520 nan 8.150 nan 0.000 0.449 673 I N 0.241 120.952 120.570 0.234 0.000 2.335 673 I HA -0.208 4.002 4.170 0.066 0.000 0.251 673 I C 1.093 177.261 176.117 0.085 0.000 1.129 673 I CA 1.611 62.953 61.300 0.070 0.000 1.402 673 I CB -0.307 37.544 38.000 -0.249 0.000 1.069 673 I HN 0.258 nan 8.210 nan 0.000 0.424 674 N N 0.295 119.048 118.700 0.087 0.000 2.236 674 N HA 0.088 4.868 4.740 0.066 0.000 0.196 674 N C -0.334 175.191 175.510 0.026 0.000 1.114 674 N CA 0.175 53.266 53.050 0.068 0.000 0.859 674 N CB 0.243 38.766 38.487 0.060 0.000 0.982 674 N HN 0.429 nan 8.380 nan 0.000 0.493 675 Q N 0.644 120.463 119.800 0.033 0.000 2.347 675 Q HA 0.143 4.522 4.340 0.066 0.000 0.262 675 Q C 0.595 176.516 176.000 -0.132 0.000 0.980 675 Q CA -0.333 55.401 55.803 -0.116 0.000 0.867 675 Q CB 2.468 31.049 28.738 -0.261 0.000 1.242 675 Q HN -0.038 nan 8.270 nan 0.000 0.453 676 E N 2.736 122.834 120.200 -0.170 0.000 2.095 676 E HA -0.259 4.131 4.350 0.066 0.000 0.212 676 E C 0.819 177.336 176.600 -0.138 0.000 1.044 676 E CA 1.983 58.304 56.400 -0.132 0.000 0.857 676 E CB 0.216 29.824 29.700 -0.154 0.000 0.764 676 E HN 0.502 nan 8.360 nan 0.000 0.462 677 N N -1.160 117.363 118.700 -0.296 0.000 2.494 677 N HA -0.074 4.705 4.740 0.066 0.000 0.182 677 N C 0.681 176.156 175.510 -0.058 0.000 1.076 677 N CA 0.624 53.529 53.050 -0.242 0.000 0.908 677 N CB -0.013 38.253 38.487 -0.368 0.000 0.967 677 N HN 0.340 nan 8.380 nan 0.000 0.449 678 W N 0.925 122.138 121.300 -0.145 0.000 2.975 678 W HA 0.222 4.922 4.660 0.066 0.000 0.316 678 W C 1.728 178.234 176.519 -0.021 0.000 1.131 678 W CA -0.359 56.875 57.345 -0.185 0.000 1.624 678 W CB -0.255 28.996 29.460 -0.348 0.000 1.038 678 W HN 0.151 nan 8.180 nan 0.000 0.571 679 K N 0.444 120.966 120.400 0.204 0.000 2.160 679 K HA -0.196 4.164 4.320 0.066 0.000 0.206 679 K C 0.933 177.626 176.600 0.155 0.000 1.047 679 K CA 2.067 58.456 56.287 0.170 0.000 0.930 679 K CB -0.397 32.173 32.500 0.116 0.000 0.720 679 K HN -0.156 nan 8.250 nan 0.000 0.450 680 D N 1.246 121.728 120.400 0.136 0.000 2.183 680 D HA -0.095 4.585 4.640 0.066 0.000 0.203 680 D C 2.063 178.445 176.300 0.137 0.000 0.969 680 D CA 1.295 55.368 54.000 0.121 0.000 0.842 680 D CB -0.276 40.584 40.800 0.100 0.000 0.957 680 D HN 0.570 nan 8.370 nan 0.000 0.484 681 C N 0.201 119.600 119.300 0.165 0.000 2.472 681 C HA 0.120 4.620 4.460 0.066 0.000 0.278 681 C C 1.962 177.062 174.990 0.183 0.000 1.447 681 C CA 0.201 59.321 59.018 0.169 0.000 1.773 681 C CB -1.202 26.650 27.740 0.187 0.000 1.793 681 C HN 0.154 nan 8.230 nan 0.000 0.544 682 V N -2.172 117.857 119.914 0.191 0.000 3.214 682 V HA 0.338 4.498 4.120 0.066 0.000 0.330 682 V C 0.219 176.399 176.094 0.143 0.000 1.403 682 V CA 0.256 62.666 62.300 0.184 0.000 1.143 682 V CB -0.932 31.058 31.823 0.278 0.000 1.098 682 V HN 0.429 nan 8.190 nan 0.000 0.463 683 T N 3.563 118.192 114.554 0.125 0.000 2.821 683 T HA 0.616 5.006 4.350 0.066 0.000 0.307 683 T C -0.711 174.042 174.700 0.087 0.000 1.034 683 T CA -0.048 62.107 62.100 0.092 0.000 0.953 683 T CB 1.481 70.407 68.868 0.097 0.000 0.968 683 T HN 0.322 nan 8.240 nan 0.000 0.462 684 L N 4.888 126.148 121.223 0.060 0.000 2.260 684 L HA 0.520 4.900 4.340 0.066 0.000 0.289 684 L C -0.243 176.663 176.870 0.060 0.000 1.057 684 L CA -0.077 54.803 54.840 0.067 0.000 0.811 684 L CB 0.154 42.236 42.059 0.038 0.000 1.184 684 L HN 0.402 nan 8.230 nan 0.000 0.429 685 K N 3.603 124.044 120.400 0.068 0.000 2.123 685 K HA 0.331 4.690 4.320 0.066 0.000 0.248 685 K C -0.121 176.514 176.600 0.058 0.000 0.969 685 K CA -0.887 55.438 56.287 0.063 0.000 0.882 685 K CB 0.836 33.374 32.500 0.063 0.000 1.080 685 K HN 0.591 nan 8.250 nan 0.000 0.441 686 N N 0.987 119.719 118.700 0.055 0.000 2.357 686 N HA -0.120 4.660 4.740 0.066 0.000 0.257 686 N C 0.622 176.161 175.510 0.048 0.000 1.250 686 N CA 1.825 54.905 53.050 0.050 0.000 0.862 686 N CB 0.466 38.982 38.487 0.049 0.000 1.066 686 N HN 0.843 nan 8.380 nan 0.000 0.468 687 G N 2.620 111.447 108.800 0.046 0.000 2.234 687 G HA2 -0.239 3.761 3.960 0.066 0.000 0.235 687 G HA3 -0.239 3.761 3.960 0.066 0.000 0.235 687 G C -0.142 174.786 174.900 0.046 0.000 0.997 687 G CA 0.403 45.529 45.100 0.043 0.000 0.623 687 G HN 0.672 nan 8.290 nan 0.000 0.514 688 E N -0.051 120.181 120.200 0.054 0.000 2.284 688 E HA 0.706 5.096 4.350 0.066 0.000 0.255 688 E C -0.692 175.950 176.600 0.070 0.000 1.052 688 E CA -0.564 55.871 56.400 0.058 0.000 0.904 688 E CB 1.139 30.877 29.700 0.064 0.000 1.217 688 E HN 0.063 nan 8.360 nan 0.000 0.438 689 T N 0.905 115.503 114.554 0.074 0.000 2.847 689 T HA 0.161 4.550 4.350 0.066 0.000 0.291 689 T C -1.371 173.398 174.700 0.115 0.000 0.998 689 T CA -0.615 61.540 62.100 0.092 0.000 0.967 689 T CB 0.165 69.070 68.868 0.061 0.000 0.954 689 T HN 0.402 nan 8.240 nan 0.000 0.441 690 Y N 2.529 122.846 120.300 0.028 0.000 2.411 690 Y HA 0.534 5.124 4.550 0.066 0.000 0.333 690 Y C 0.358 176.281 175.900 0.038 0.000 1.186 690 Y CA 0.097 58.212 58.100 0.025 0.000 1.381 690 Y CB 0.527 38.994 38.460 0.011 0.000 1.273 690 Y HN 0.757 nan 8.280 nan 0.000 0.546 691 G N 3.125 111.526 108.800 -0.666 0.000 2.731 691 G HA2 0.491 4.490 3.960 0.066 0.000 0.298 691 G HA3 0.491 4.490 3.960 0.066 0.000 0.298 691 G C -1.872 172.653 174.900 -0.625 0.000 1.424 691 G CA -0.630 44.184 45.100 -0.477 0.000 1.029 691 G HN 0.772 nan 8.290 nan 0.000 0.518 692 S N 0.335 115.828 115.700 -0.345 0.000 2.533 692 S HA 0.740 5.250 4.470 0.066 0.000 0.271 692 S C -1.228 173.367 174.600 -0.008 0.000 1.143 692 S CA -0.791 57.311 58.200 -0.164 0.000 0.891 692 S CB 1.983 65.132 63.200 -0.086 0.000 1.105 692 S HN 0.834 nan 8.310 nan 0.000 0.468 693 K N 3.763 124.145 120.400 -0.030 0.000 2.422 693 K HA 0.775 5.135 4.320 0.066 0.000 0.251 693 K C -1.609 174.966 176.600 -0.042 0.000 0.933 693 K CA -0.721 55.526 56.287 -0.067 0.000 0.798 693 K CB 1.228 33.677 32.500 -0.085 0.000 1.238 693 K HN 0.703 nan 8.250 nan 0.000 0.428 694 I N 3.411 123.929 120.570 -0.085 0.000 2.647 694 I HA 0.414 4.624 4.170 0.066 0.000 0.295 694 I C -1.103 174.912 176.117 -0.170 0.000 1.078 694 I CA -1.249 60.001 61.300 -0.083 0.000 1.048 694 I CB 2.290 40.260 38.000 -0.050 0.000 1.239 694 I HN 0.273 nan 8.210 nan 0.000 0.421 695 V N 5.671 125.507 119.914 -0.131 0.000 2.709 695 V HA 0.451 4.611 4.120 0.066 0.000 0.308 695 V C -1.233 174.854 176.094 -0.012 0.000 1.062 695 V CA -0.681 61.544 62.300 -0.124 0.000 0.901 695 V CB 2.139 33.921 31.823 -0.068 0.000 1.003 695 V HN 0.487 nan 8.190 nan 0.000 0.425 696 Y N 3.429 123.739 120.300 0.017 0.000 2.341 696 Y HA 0.705 5.295 4.550 0.066 0.000 0.338 696 Y C 0.299 176.087 175.900 -0.187 0.000 0.965 696 Y CA -0.954 57.084 58.100 -0.103 0.000 1.108 696 Y CB 2.189 40.717 38.460 0.113 0.000 1.180 696 Y HN 0.412 nan 8.280 nan 0.000 0.458 697 R N 3.077 123.417 120.500 -0.266 0.000 2.575 697 R HA 0.520 4.900 4.340 0.066 0.000 0.293 697 R C -1.827 174.160 176.300 -0.521 0.000 0.983 697 R CA -0.734 55.201 56.100 -0.276 0.000 0.887 697 R CB 1.745 31.925 30.300 -0.199 0.000 1.184 697 R HN 0.527 nan 8.270 nan 0.000 0.445 698 F N 0.701 120.555 119.950 -0.159 0.000 2.507 698 F HA 0.573 5.140 4.527 0.066 0.000 0.327 698 F C 0.527 176.266 175.800 -0.101 0.000 1.068 698 F CA -0.231 57.705 58.000 -0.107 0.000 0.965 698 F CB 2.257 41.199 39.000 -0.098 0.000 1.192 698 F HN 0.548 nan 8.300 nan 0.000 0.476 699 S N 0.000 115.786 115.700 0.144 0.000 2.498 699 S HA 0.000 4.510 4.470 0.066 0.000 0.327 699 S CA 0.000 58.244 58.200 0.073 0.000 1.107 699 S CB 0.000 63.196 63.200 -0.008 0.000 0.593 699 S HN 0.000 nan 8.310 nan 0.000 0.517