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 2r72_1_A DATA FIRST_RESID 27 DATA SEQUENCE DVEELLIPKV WVPPEDPLAS PSRLAKFLRE NGYKVLQPRS LPENEEYETD DATA SEQUENCE QILPDLAWMR QIXXXXLKPT LSLPIGDQEY FPKYYPTHRP SKEKPNAYPP DATA SEQUENCE DIALLKQMIY LFLQVPEANE GLKDEVTLLT QNIRDKAYGS GTYMGQANRL DATA SEQUENCE VAMKEVATGR NPNKDPLKLG YTFESIAQLL DITLPVGPPG XDDKPWVPLT DATA SEQUENCE RVPSRMLVLT GDVDXXXXVE DYLPKINLKS SSGLPYVGRT KGETIGEMIA DATA SEQUENCE ISNQFLRELS TLLKQGAGTK GSNKKKLLSM LSDYWYLSCG LLFPKAERYD DATA SEQUENCE KSTWLTKTRN IWSAPSPTHL MISMITWPVM SNSPNNVLNI EGCPSLYKFN DATA SEQUENCE PFRGGLNRIV EWILAPEEPK ALVYADNIYI VHSNTWYSID LEKGEANCTR DATA SEQUENCE QHMQAAMYYI LTRGWSDNGD PMFNQTWATF AMNIAPALVV DSSCLIMNLQ DATA SEQUENCE IKTYGQGSGN AATFINNHLL STLVLDQWNL MRQPRPDSEE FKSIEDKLGI DATA SEQUENCE NFKIERSIDD IRGKLRQLVL LAQPGYLSGG VEPEQSSPTV ELDLLGWSAT DATA SEQUENCE YSKDLGIYVP VLDKERLFCS AAYPKGVENK SLKSKVGIEQ AYKVVRYEAL DATA SEQUENCE RLVGGWNYPL LNKACKNNAG AARRHLEAKG FPLDEFLAEW SELSEFGEAF DATA SEQUENCE EGFNIKLTVT SESLAELNKP VPPKPPNVNR PVNTGGLKAV SNALKTGRYR DATA SEQUENCE NEAGLSGLVL LATARSRLQD AVKAKAEAEK LHKSKPXXXD ADWFERSETL DATA SEQUENCE SDLLEKADIA SKVAHSALVE TSDALEA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.305 176.300 0.008 0.000 2.045 27 D CA 0.000 54.004 54.000 0.007 0.000 0.868 27 D CB 0.000 40.804 40.800 0.006 0.000 0.688 28 V N -0.164 119.754 119.914 0.008 0.000 3.036 28 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 28 V C 1.571 177.671 176.094 0.009 0.000 1.070 28 V CA 0.769 63.075 62.300 0.009 0.000 1.056 28 V CB 1.497 33.325 31.823 0.008 0.000 1.084 28 V HN 0.895 nan 8.190 nan 0.000 0.471 29 E N 2.178 122.385 120.200 0.011 0.000 2.057 29 E HA -0.082 4.267 4.350 -0.000 0.000 0.190 29 E C 0.392 176.999 176.600 0.011 0.000 0.969 29 E CA 0.874 57.282 56.400 0.012 0.000 0.812 29 E CB -0.525 29.184 29.700 0.015 0.000 0.777 29 E HN 1.054 nan 8.360 nan 0.000 0.455 30 E N 1.489 121.695 120.200 0.011 0.000 1.491 30 E HA -0.219 4.131 4.350 -0.000 0.000 0.352 30 E C -0.729 175.876 176.600 0.008 0.000 1.558 30 E CA 0.440 56.844 56.400 0.008 0.000 1.312 30 E CB -1.406 28.297 29.700 0.004 0.000 0.453 30 E HN 0.296 nan 8.360 nan 0.000 0.357 31 L N 2.819 124.048 121.223 0.010 0.000 2.358 31 L HA 0.292 4.632 4.340 -0.000 0.000 0.268 31 L C 1.611 178.485 176.870 0.008 0.000 1.032 31 L CA -0.926 53.921 54.840 0.011 0.000 0.805 31 L CB 0.800 42.869 42.059 0.016 0.000 1.253 31 L HN 0.543 nan 8.230 nan 0.000 0.452 32 L N 1.644 122.873 121.223 0.009 0.000 2.056 32 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 32 L C 0.398 177.272 176.870 0.006 0.000 1.078 32 L CA 1.781 56.625 54.840 0.006 0.000 0.749 32 L CB 0.168 42.234 42.059 0.013 0.000 0.901 32 L HN 0.292 nan 8.230 nan 0.000 0.433 33 I N 1.065 121.642 120.570 0.011 0.000 2.382 33 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 33 I C -2.233 173.895 176.117 0.018 0.000 1.002 33 I CA -2.310 58.996 61.300 0.011 0.000 1.135 33 I CB 0.493 38.501 38.000 0.014 0.000 1.288 33 I HN 0.029 nan 8.210 nan 0.000 0.448 34 P HA 0.150 nan 4.420 nan 0.000 0.271 34 P C -0.055 177.276 177.300 0.051 0.000 1.216 34 P CA -0.353 62.767 63.100 0.033 0.000 0.771 34 P CB 0.843 32.562 31.700 0.032 0.000 0.864 35 K N 2.151 122.586 120.400 0.057 0.000 2.414 35 K HA 0.104 4.424 4.320 -0.000 0.000 0.272 35 K C -0.402 176.256 176.600 0.096 0.000 0.993 35 K CA -0.451 55.873 56.287 0.063 0.000 0.964 35 K CB 0.295 32.828 32.500 0.054 0.000 0.925 35 K HN 0.169 nan 8.250 nan 0.000 0.487 36 V N 4.703 124.667 119.914 0.084 0.000 2.583 36 V HA -0.168 3.952 4.120 -0.000 0.000 0.302 36 V C 0.153 176.334 176.094 0.144 0.000 1.033 36 V CA 0.267 62.631 62.300 0.106 0.000 1.194 36 V CB -0.547 31.310 31.823 0.056 0.000 0.879 36 V HN 0.692 nan 8.190 nan 0.000 0.482 37 W N 6.065 127.356 121.300 -0.016 0.000 2.238 37 W HA 0.462 5.122 4.660 -0.000 0.000 0.321 37 W C -0.323 176.142 176.519 -0.089 0.000 1.293 37 W CA -0.552 56.759 57.345 -0.057 0.000 1.204 37 W CB 0.748 30.160 29.460 -0.080 0.000 1.167 37 W HN 0.368 nan 8.180 nan 0.000 0.553 38 V N 9.704 129.205 119.914 -0.688 0.000 2.313 38 V HA 0.235 4.355 4.120 -0.000 0.000 0.278 38 V C -1.756 173.528 176.094 -1.349 0.000 1.017 38 V CA -2.016 59.827 62.300 -0.762 0.000 0.823 38 V CB 0.879 32.477 31.823 -0.377 0.000 1.010 38 V HN 0.458 nan 8.190 nan 0.000 0.443 39 P HA 0.142 nan 4.420 nan 0.000 0.268 39 P C -2.424 174.496 177.300 -0.633 0.000 1.208 39 P CA -0.715 61.458 63.100 -1.544 0.000 0.777 39 P CB -0.125 30.947 31.700 -1.047 0.000 0.875 40 P HA 0.078 nan 4.420 nan 0.000 0.274 40 P C -0.292 176.978 177.300 -0.051 0.000 1.237 40 P CA -0.071 62.970 63.100 -0.098 0.000 0.793 40 P CB 0.639 32.363 31.700 0.040 0.000 0.977 41 E N 0.629 120.803 120.200 -0.044 0.000 2.414 41 E HA -0.030 4.320 4.350 -0.000 0.000 0.263 41 E C 0.032 176.625 176.600 -0.012 0.000 1.000 41 E CA 0.234 56.616 56.400 -0.029 0.000 0.914 41 E CB 0.258 29.938 29.700 -0.033 0.000 0.948 41 E HN 0.377 nan 8.360 nan 0.000 0.444 42 D N 4.418 124.810 120.400 -0.014 0.000 2.338 42 D HA 0.037 4.677 4.640 -0.000 0.000 0.255 42 D C -1.554 174.716 176.300 -0.050 0.000 1.237 42 D CA -1.914 52.064 54.000 -0.037 0.000 0.883 42 D CB 0.880 41.652 40.800 -0.045 0.000 1.087 42 D HN 0.159 nan 8.370 nan 0.000 0.485 43 P HA 0.047 nan 4.420 nan 0.000 0.245 43 P C 0.562 177.799 177.300 -0.104 0.000 1.212 43 P CA 0.277 63.331 63.100 -0.077 0.000 0.774 43 P CB 0.371 32.025 31.700 -0.077 0.000 0.999 44 L N -0.480 120.667 121.223 -0.127 0.000 3.168 44 L HA 0.411 4.751 4.340 -0.000 0.000 0.277 44 L C 1.252 178.005 176.870 -0.195 0.000 1.308 44 L CA -0.308 54.437 54.840 -0.158 0.000 0.976 44 L CB 0.233 42.158 42.059 -0.222 0.000 1.383 44 L HN -0.169 nan 8.230 nan 0.000 0.572 45 A N -0.940 121.791 122.820 -0.149 0.000 2.302 45 A HA 0.268 4.587 4.320 -0.000 0.000 0.219 45 A C 0.799 178.243 177.584 -0.232 0.000 1.243 45 A CA 0.300 52.222 52.037 -0.191 0.000 0.856 45 A CB 0.055 19.044 19.000 -0.018 0.000 0.893 45 A HN 0.322 nan 8.150 nan 0.000 0.491 46 S N -0.601 114.979 115.700 -0.199 0.000 2.536 46 S HA 0.499 4.969 4.470 -0.000 0.000 0.298 46 S C -2.090 172.438 174.600 -0.120 0.000 1.083 46 S CA -1.095 57.030 58.200 -0.125 0.000 0.995 46 S CB 1.820 64.976 63.200 -0.072 0.000 1.058 46 S HN 0.034 nan 8.310 nan 0.000 0.488 47 P HA -0.125 nan 4.420 nan 0.000 0.215 47 P C 1.554 178.838 177.300 -0.027 0.000 1.157 47 P CA 1.295 64.374 63.100 -0.035 0.000 0.868 47 P CB -0.071 31.643 31.700 0.025 0.000 0.788 48 S N 0.190 115.877 115.700 -0.021 0.000 2.365 48 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 48 S C 2.000 176.595 174.600 -0.008 0.000 1.039 48 S CA 1.290 59.482 58.200 -0.013 0.000 1.033 48 S CB -1.207 61.984 63.200 -0.015 0.000 0.887 48 S HN 0.111 nan 8.310 nan 0.000 0.447 49 R N 0.443 120.930 120.500 -0.023 0.000 2.066 49 R HA 0.101 4.441 4.340 -0.000 0.000 0.232 49 R C 2.489 178.796 176.300 0.012 0.000 1.131 49 R CA 1.229 57.321 56.100 -0.013 0.000 0.955 49 R CB -0.689 29.584 30.300 -0.046 0.000 0.851 49 R HN 0.376 nan 8.270 nan 0.000 0.432 50 L N 1.034 122.243 121.223 -0.024 0.000 2.012 50 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 50 L C 2.249 179.168 176.870 0.082 0.000 1.073 50 L CA 2.066 56.913 54.840 0.012 0.000 0.748 50 L CB -0.841 41.180 42.059 -0.062 0.000 0.891 50 L HN 0.149 nan 8.230 nan 0.000 0.431 51 A N -0.516 122.331 122.820 0.044 0.000 1.948 51 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 51 A C 2.475 180.098 177.584 0.065 0.000 1.177 51 A CA 2.210 54.278 52.037 0.053 0.000 0.636 51 A CB -0.708 18.308 19.000 0.027 0.000 0.815 51 A HN 0.572 nan 8.150 nan 0.000 0.449 52 K N -1.647 118.794 120.400 0.068 0.000 2.026 52 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 52 K C 1.824 178.481 176.600 0.096 0.000 1.048 52 K CA 1.677 58.004 56.287 0.068 0.000 0.929 52 K CB -0.353 32.184 32.500 0.062 0.000 0.713 52 K HN 0.386 nan 8.250 nan 0.000 0.439 53 F N 1.752 121.692 119.950 -0.016 0.000 2.102 53 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 53 F C 1.686 177.482 175.800 -0.007 0.000 1.105 53 F CA 1.438 59.426 58.000 -0.020 0.000 1.239 53 F CB -0.261 38.714 39.000 -0.041 0.000 0.991 53 F HN -0.029 nan 8.300 nan 0.000 0.474 54 L N -0.076 121.153 121.223 0.010 0.000 1.989 54 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 54 L C 2.695 179.563 176.870 -0.003 0.000 1.071 54 L CA 1.686 56.505 54.840 -0.034 0.000 0.749 54 L CB -0.770 41.346 42.059 0.095 0.000 0.890 54 L HN 0.033 nan 8.230 nan 0.000 0.431 55 R N -0.157 120.356 120.500 0.020 0.000 2.096 55 R HA -0.194 4.145 4.340 -0.000 0.000 0.235 55 R C 2.236 178.518 176.300 -0.030 0.000 1.127 55 R CA 1.386 57.496 56.100 0.017 0.000 0.968 55 R CB -0.193 30.120 30.300 0.023 0.000 0.861 55 R HN 0.385 nan 8.270 nan 0.000 0.440 56 E N 0.174 120.328 120.200 -0.077 0.000 2.153 56 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 56 E C 0.844 177.358 176.600 -0.144 0.000 0.988 56 E CA 0.799 57.139 56.400 -0.099 0.000 0.811 56 E CB 0.193 29.832 29.700 -0.103 0.000 0.746 56 E HN 0.293 nan 8.360 nan 0.000 0.466 57 N N -0.672 117.897 118.700 -0.218 0.000 2.270 57 N HA 0.034 4.774 4.740 -0.000 0.000 0.198 57 N C 0.656 176.119 175.510 -0.078 0.000 1.117 57 N CA 0.793 53.725 53.050 -0.197 0.000 0.845 57 N CB 1.328 39.605 38.487 -0.350 0.000 0.980 57 N HN 0.234 nan 8.380 nan 0.000 0.486 58 G N 1.052 109.831 108.800 -0.035 0.000 2.166 58 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 58 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 58 G C -0.084 174.849 174.900 0.054 0.000 0.986 58 G CA 0.117 45.219 45.100 0.002 0.000 0.683 58 G HN 0.509 nan 8.290 nan 0.000 0.527 59 Y N 1.173 121.453 120.300 -0.034 0.000 2.442 59 Y HA 0.402 4.952 4.550 -0.000 0.000 0.330 59 Y C 1.043 177.009 175.900 0.110 0.000 1.129 59 Y CA 0.148 58.286 58.100 0.063 0.000 1.365 59 Y CB 0.567 39.050 38.460 0.039 0.000 1.233 59 Y HN 0.104 nan 8.280 nan 0.000 0.529 60 K N 5.071 125.481 120.400 0.016 0.000 2.339 60 K HA 0.317 4.636 4.320 -0.000 0.000 0.286 60 K C -1.377 175.295 176.600 0.120 0.000 1.050 60 K CA -0.324 55.989 56.287 0.044 0.000 0.956 60 K CB 0.482 32.959 32.500 -0.038 0.000 0.990 60 K HN 0.482 nan 8.250 nan 0.000 0.475 61 V N 6.067 126.050 119.914 0.116 0.000 2.394 61 V HA 0.209 4.329 4.120 -0.000 0.000 0.282 61 V C 0.026 176.152 176.094 0.052 0.000 1.031 61 V CA -0.916 61.450 62.300 0.111 0.000 0.881 61 V CB 1.226 33.108 31.823 0.099 0.000 0.982 61 V HN 0.641 nan 8.190 nan 0.000 0.451 62 L N 3.685 124.936 121.223 0.046 0.000 2.439 62 L HA 0.319 4.659 4.340 -0.000 0.000 0.261 62 L C 0.796 177.661 176.870 -0.009 0.000 1.153 62 L CA 0.284 55.132 54.840 0.013 0.000 0.808 62 L CB 0.473 42.542 42.059 0.017 0.000 1.126 62 L HN 0.572 nan 8.230 nan 0.000 0.460 63 Q N 3.694 123.476 119.800 -0.030 0.000 2.262 63 Q HA 0.110 4.450 4.340 -0.000 0.000 0.272 63 Q C -2.029 173.927 176.000 -0.072 0.000 1.076 63 Q CA -1.488 54.287 55.803 -0.047 0.000 0.905 63 Q CB 0.213 28.922 28.738 -0.049 0.000 1.182 63 Q HN 0.287 nan 8.270 nan 0.000 0.390 64 P HA 0.026 nan 4.420 nan 0.000 0.261 64 P C -0.446 176.844 177.300 -0.017 0.000 1.203 64 P CA 0.296 63.377 63.100 -0.030 0.000 0.767 64 P CB 0.473 32.115 31.700 -0.098 0.000 0.785 65 R N 1.882 122.186 120.500 -0.325 0.000 2.500 65 R HA 0.547 4.887 4.340 -0.000 0.000 0.277 65 R C 0.659 176.621 176.300 -0.563 0.000 1.026 65 R CA -0.240 55.407 56.100 -0.754 0.000 1.058 65 R CB 0.802 29.954 30.300 -1.913 0.000 1.078 65 R HN 0.529 nan 8.270 nan 0.000 0.509 66 S N 2.007 117.385 115.700 -0.537 0.000 2.600 66 S HA 0.787 5.257 4.470 -0.000 0.000 0.300 66 S C -0.755 173.814 174.600 -0.052 0.000 1.087 66 S CA -1.039 56.864 58.200 -0.494 0.000 0.965 66 S CB 1.168 63.802 63.200 -0.944 0.000 1.089 66 S HN 0.564 nan 8.310 nan 0.000 0.496 67 L N -2.010 119.092 121.223 -0.200 0.000 2.409 67 L HA 0.795 5.135 4.340 -0.000 0.000 0.262 67 L C -3.324 173.363 176.870 -0.305 0.000 0.992 67 L CA -2.730 52.025 54.840 -0.142 0.000 0.817 67 L CB 1.767 43.689 42.059 -0.229 0.000 1.350 67 L HN 0.326 nan 8.230 nan 0.000 0.411 68 P HA 0.054 nan 4.420 nan 0.000 0.266 68 P C -0.823 176.559 177.300 0.137 0.000 1.193 68 P CA 0.201 63.294 63.100 -0.011 0.000 0.770 68 P CB 0.467 32.157 31.700 -0.017 0.000 0.836 69 E N 1.746 122.071 120.200 0.209 0.000 2.392 69 E HA 0.050 4.400 4.350 -0.000 0.000 0.264 69 E C -0.014 176.635 176.600 0.082 0.000 1.024 69 E CA -0.223 56.290 56.400 0.188 0.000 0.903 69 E CB 0.176 29.914 29.700 0.064 0.000 0.963 69 E HN 0.372 nan 8.360 nan 0.000 0.432 70 N N 3.106 121.830 118.700 0.041 0.000 2.497 70 N HA 0.058 4.798 4.740 -0.000 0.000 0.268 70 N C -0.525 175.015 175.510 0.050 0.000 1.171 70 N CA 0.455 53.533 53.050 0.047 0.000 0.948 70 N CB 0.814 39.341 38.487 0.067 0.000 1.069 70 N HN 0.471 nan 8.380 nan 0.000 0.460 71 E N 0.525 120.772 120.200 0.078 0.000 2.367 71 E HA 0.182 4.532 4.350 -0.000 0.000 0.273 71 E C -0.988 175.671 176.600 0.098 0.000 0.903 71 E CA -0.683 55.759 56.400 0.070 0.000 0.764 71 E CB 1.546 31.284 29.700 0.063 0.000 1.252 71 E HN 0.307 nan 8.360 nan 0.000 0.446 72 E N 1.368 121.606 120.200 0.063 0.000 2.398 72 E HA 0.147 4.496 4.350 -0.000 0.000 0.263 72 E C -1.118 175.541 176.600 0.097 0.000 1.046 72 E CA 0.422 56.862 56.400 0.066 0.000 0.908 72 E CB 0.567 30.278 29.700 0.017 0.000 0.963 72 E HN 0.352 nan 8.360 nan 0.000 0.431 73 Y N -0.698 119.607 120.300 0.010 0.000 2.480 73 Y HA 0.222 4.772 4.550 -0.000 0.000 0.329 73 Y C -0.102 175.798 175.900 0.000 0.000 1.127 73 Y CA -0.457 57.648 58.100 0.008 0.000 1.037 73 Y CB 1.013 39.483 38.460 0.016 0.000 1.320 73 Y HN 0.517 nan 8.280 nan 0.000 0.446 74 E N 1.420 121.789 120.200 0.281 0.000 2.480 74 E HA 0.167 4.517 4.350 -0.000 0.000 0.258 74 E C 0.693 177.399 176.600 0.177 0.000 0.984 74 E CA 0.704 57.210 56.400 0.177 0.000 0.930 74 E CB 0.142 29.912 29.700 0.117 0.000 0.936 74 E HN 0.721 nan 8.360 nan 0.000 0.466 75 T N 2.509 117.108 114.554 0.076 0.000 2.788 75 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 75 T C 1.129 175.832 174.700 0.005 0.000 1.044 75 T CA 1.246 63.359 62.100 0.022 0.000 1.139 75 T CB -0.054 68.803 68.868 -0.018 0.000 0.867 75 T HN 0.685 nan 8.240 nan 0.000 0.454 76 D N 0.711 121.122 120.400 0.018 0.000 2.190 76 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 76 D C 2.237 178.554 176.300 0.028 0.000 0.992 76 D CA 1.004 55.012 54.000 0.013 0.000 0.854 76 D CB -0.172 40.642 40.800 0.023 0.000 0.936 76 D HN 0.294 nan 8.370 nan 0.000 0.462 77 Q N -0.567 119.273 119.800 0.066 0.000 2.163 77 Q HA 0.048 4.388 4.340 -0.000 0.000 0.198 77 Q C 1.833 177.814 176.000 -0.032 0.000 0.954 77 Q CA 0.647 56.493 55.803 0.071 0.000 0.851 77 Q CB 0.196 29.079 28.738 0.242 0.000 0.928 77 Q HN 0.200 nan 8.270 nan 0.000 0.459 78 I N -0.427 120.095 120.570 -0.081 0.000 2.400 78 I HA -0.022 4.148 4.170 -0.000 0.000 0.248 78 I C 0.423 176.497 176.117 -0.071 0.000 1.109 78 I CA 0.837 62.056 61.300 -0.135 0.000 1.425 78 I CB -0.378 37.523 38.000 -0.166 0.000 1.094 78 I HN 0.103 nan 8.210 nan 0.000 0.425 79 L N 2.941 124.132 121.223 -0.053 0.000 2.445 79 L HA 0.261 4.601 4.340 -0.000 0.000 0.252 79 L C -1.557 175.285 176.870 -0.046 0.000 1.105 79 L CA -1.077 53.733 54.840 -0.050 0.000 0.943 79 L CB 1.244 43.262 42.059 -0.069 0.000 1.277 79 L HN -0.101 nan 8.230 nan 0.000 0.465 80 P HA -0.152 nan 4.420 nan 0.000 0.219 80 P C 0.854 178.160 177.300 0.009 0.000 1.150 80 P CA 1.131 64.230 63.100 -0.002 0.000 0.814 80 P CB 0.212 31.922 31.700 0.016 0.000 0.787 81 D N 0.349 120.764 120.400 0.025 0.000 2.264 81 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 81 D C 1.440 177.768 176.300 0.046 0.000 0.966 81 D CA 0.702 54.759 54.000 0.095 0.000 0.864 81 D CB -0.918 39.948 40.800 0.111 0.000 0.933 81 D HN 0.262 nan 8.370 nan 0.000 0.499 82 L N 0.315 121.433 121.223 -0.176 0.000 2.848 82 L HA 0.380 4.720 4.340 -0.000 0.000 0.240 82 L C 1.970 178.468 176.870 -0.620 0.000 1.232 82 L CA -0.237 54.262 54.840 -0.567 0.000 1.031 82 L CB 0.325 42.147 42.059 -0.396 0.000 1.338 82 L HN -0.021 nan 8.230 nan 0.000 0.509 83 A N 0.620 123.220 122.820 -0.366 0.000 1.970 83 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 83 A C 1.820 179.308 177.584 -0.160 0.000 1.170 83 A CA 0.414 52.336 52.037 -0.192 0.000 0.645 83 A CB -0.454 18.525 19.000 -0.035 0.000 0.816 83 A HN 0.750 nan 8.150 nan 0.000 0.447 84 W N -0.957 120.346 121.300 0.005 0.000 2.874 84 W HA 0.032 4.692 4.660 -0.000 0.000 0.242 84 W C 0.125 176.645 176.519 0.002 0.000 1.285 84 W CA -0.010 57.337 57.345 0.004 0.000 1.379 84 W CB -0.962 28.500 29.460 0.003 0.000 1.137 84 W HN 0.154 nan 8.180 nan 0.000 0.683 85 M N 2.008 121.484 119.600 -0.206 0.000 2.941 85 M HA 0.025 4.505 4.480 -0.000 0.000 0.199 85 M C 2.008 178.300 176.300 -0.012 0.000 1.245 85 M CA 0.667 55.887 55.300 -0.132 0.000 1.137 85 M CB -1.663 30.771 32.600 -0.276 0.000 1.712 85 M HN 0.290 nan 8.290 nan 0.000 0.433 86 R N 0.085 120.622 120.500 0.062 0.000 2.319 86 R HA 0.353 4.693 4.340 -0.000 0.000 0.204 86 R C 0.855 177.187 176.300 0.052 0.000 0.954 86 R CA 1.112 57.242 56.100 0.050 0.000 1.066 86 R CB -1.115 29.224 30.300 0.065 0.000 0.991 86 R HN 0.620 nan 8.270 nan 0.000 0.486 87 Q N -0.232 119.607 119.800 0.065 0.000 2.375 87 Q HA 0.819 5.159 4.340 -0.000 0.000 0.271 87 Q C 0.047 176.072 176.000 0.042 0.000 1.074 87 Q CA -0.246 55.590 55.803 0.054 0.000 0.808 87 Q CB 0.845 29.623 28.738 0.067 0.000 1.327 87 Q HN 0.770 nan 8.270 nan 0.000 0.441 94 K N 0.197 120.565 120.400 -0.053 0.000 4.950 94 K HA 0.157 4.477 4.320 -0.000 0.000 0.899 94 K C -1.167 175.413 176.600 -0.034 0.000 2.003 94 K CA 0.477 56.739 56.287 -0.042 0.000 1.492 94 K CB -2.917 29.554 32.500 -0.049 0.000 2.919 94 K HN 0.863 nan 8.250 nan 0.000 0.166 95 P HA -0.070 nan 4.420 nan 0.000 0.215 95 P C 0.810 178.111 177.300 0.001 0.000 1.153 95 P CA 1.966 65.058 63.100 -0.013 0.000 0.853 95 P CB 0.178 31.872 31.700 -0.009 0.000 0.788 96 T N -3.444 111.112 114.554 0.004 0.000 2.916 96 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 96 T C -0.593 174.122 174.700 0.024 0.000 1.064 96 T CA -0.936 61.182 62.100 0.029 0.000 1.011 96 T CB 1.352 70.237 68.868 0.029 0.000 1.152 96 T HN -0.217 nan 8.240 nan 0.000 0.510 97 L N 0.991 122.248 121.223 0.057 0.000 2.354 97 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 97 L C 0.089 177.007 176.870 0.080 0.000 1.005 97 L CA -1.124 53.740 54.840 0.040 0.000 0.819 97 L CB 2.300 44.377 42.059 0.029 0.000 1.311 97 L HN 0.760 nan 8.230 nan 0.000 0.423 98 S N 2.818 118.558 115.700 0.066 0.000 2.423 98 S HA 0.660 5.130 4.470 -0.000 0.000 0.317 98 S C -0.676 174.065 174.600 0.234 0.000 1.065 98 S CA -0.484 57.796 58.200 0.133 0.000 1.111 98 S CB -0.183 63.093 63.200 0.127 0.000 0.968 98 S HN 0.369 nan 8.310 nan 0.000 0.474 99 L N 6.201 127.537 121.223 0.187 0.000 2.342 99 L HA 0.577 4.917 4.340 -0.000 0.000 0.271 99 L C -2.080 174.845 176.870 0.092 0.000 1.008 99 L CA -2.536 52.404 54.840 0.168 0.000 0.818 99 L CB 2.180 44.310 42.059 0.118 0.000 1.296 99 L HN 0.401 nan 8.230 nan 0.000 0.427 100 P HA 0.102 nan 4.420 nan 0.000 0.244 100 P C 0.238 177.536 177.300 -0.003 0.000 1.769 100 P CA 0.267 63.336 63.100 -0.052 0.000 1.102 100 P CB -0.186 31.382 31.700 -0.220 0.000 1.937 101 I N -1.259 119.335 120.570 0.040 0.000 4.398 101 I HA 0.374 4.544 4.170 -0.000 0.000 0.310 101 I C 1.031 177.179 176.117 0.053 0.000 1.232 101 I CA -0.208 61.123 61.300 0.052 0.000 1.312 101 I CB -0.303 37.754 38.000 0.095 0.000 1.347 101 I HN -0.027 nan 8.210 nan 0.000 0.454 102 G N 2.249 111.083 108.800 0.058 0.000 2.414 102 G HA2 0.085 4.045 3.960 -0.000 0.000 0.236 102 G HA3 0.085 4.045 3.960 -0.000 0.000 0.236 102 G C -0.717 174.205 174.900 0.037 0.000 1.293 102 G CA 0.141 45.270 45.100 0.047 0.000 0.869 102 G HN 0.230 nan 8.290 nan 0.000 0.556 103 D N 0.110 120.528 120.400 0.030 0.000 2.371 103 D HA 0.290 4.930 4.640 -0.000 0.000 0.242 103 D C 0.394 176.710 176.300 0.027 0.000 1.218 103 D CA 0.540 54.553 54.000 0.023 0.000 0.945 103 D CB 0.377 41.188 40.800 0.017 0.000 1.137 103 D HN 0.531 nan 8.370 nan 0.000 0.464 104 Q N 0.165 119.977 119.800 0.021 0.000 2.554 104 Q HA -0.094 4.246 4.340 -0.000 0.000 0.224 104 Q C -0.979 175.045 176.000 0.040 0.000 1.291 104 Q CA 0.237 56.057 55.803 0.028 0.000 0.526 104 Q CB -0.268 28.492 28.738 0.037 0.000 0.663 104 Q HN 0.436 nan 8.270 nan 0.000 0.319 105 E N 1.993 122.188 120.200 -0.009 0.000 2.318 105 E HA 0.469 4.819 4.350 -0.000 0.000 0.265 105 E C -0.414 176.163 176.600 -0.038 0.000 1.069 105 E CA -0.198 56.153 56.400 -0.082 0.000 0.893 105 E CB 0.854 30.428 29.700 -0.210 0.000 1.076 105 E HN 0.476 nan 8.360 nan 0.000 0.414 106 Y N -1.543 118.632 120.300 -0.209 0.000 2.581 106 Y HA 0.612 5.162 4.550 -0.000 0.000 0.345 106 Y C -1.269 174.475 175.900 -0.259 0.000 1.036 106 Y CA -1.589 56.412 58.100 -0.166 0.000 1.042 106 Y CB 0.722 39.166 38.460 -0.026 0.000 1.289 106 Y HN 0.226 nan 8.280 nan 0.000 0.471 107 F N 2.962 122.985 119.950 0.122 0.000 2.410 107 F HA 0.598 5.125 4.527 -0.000 0.000 0.349 107 F C -2.164 173.754 175.800 0.198 0.000 1.117 107 F CA -2.238 55.801 58.000 0.065 0.000 1.104 107 F CB 1.099 40.142 39.000 0.072 0.000 1.122 107 F HN 0.300 nan 8.300 nan 0.000 0.483 108 P HA 0.279 nan 4.420 nan 0.000 0.275 108 P C -1.316 176.166 177.300 0.304 0.000 1.228 108 P CA -0.647 62.647 63.100 0.323 0.000 0.786 108 P CB 0.791 32.616 31.700 0.208 0.000 0.927 109 K N 1.524 122.104 120.400 0.300 0.000 2.443 109 K HA 0.438 4.758 4.320 -0.000 0.000 0.252 109 K C -1.569 175.196 176.600 0.275 0.000 0.933 109 K CA -0.620 55.827 56.287 0.268 0.000 0.792 109 K CB 1.850 34.580 32.500 0.384 0.000 1.185 109 K HN 0.395 nan 8.250 nan 0.000 0.425 110 Y N 2.791 123.059 120.300 -0.054 0.000 2.349 110 Y HA 0.322 4.872 4.550 -0.000 0.000 0.324 110 Y C -1.837 173.963 175.900 -0.167 0.000 1.005 110 Y CA -0.949 57.134 58.100 -0.028 0.000 1.240 110 Y CB 0.737 39.193 38.460 -0.006 0.000 1.117 110 Y HN 0.543 nan 8.280 nan 0.000 0.463 111 Y N 7.495 127.670 120.300 -0.209 0.000 2.919 111 Y HA 0.405 4.955 4.550 -0.000 0.000 0.341 111 Y C -2.059 173.638 175.900 -0.337 0.000 1.045 111 Y CA -2.316 55.687 58.100 -0.162 0.000 1.218 111 Y CB 0.414 38.880 38.460 0.010 0.000 1.137 111 Y HN 0.488 nan 8.280 nan 0.000 0.577 112 P HA 0.125 nan 4.420 nan 0.000 0.275 112 P C -0.284 176.758 177.300 -0.431 0.000 1.228 112 P CA -0.272 62.478 63.100 -0.583 0.000 0.786 112 P CB 1.231 32.447 31.700 -0.806 0.000 0.927 113 T N 2.241 116.614 114.554 -0.301 0.000 2.832 113 T HA 0.200 4.550 4.350 -0.000 0.000 0.296 113 T C -0.130 174.352 174.700 -0.363 0.000 0.968 113 T CA -0.054 61.926 62.100 -0.201 0.000 1.107 113 T CB -0.217 68.614 68.868 -0.062 0.000 0.916 113 T HN 0.353 nan 8.240 nan 0.000 0.517 114 H N 2.227 121.210 119.070 -0.145 0.000 2.517 114 H HA 0.577 5.133 4.556 -0.000 0.000 0.317 114 H C 0.333 175.673 175.328 0.020 0.000 1.080 114 H CA -0.444 55.527 56.048 -0.128 0.000 1.301 114 H CB 0.824 30.465 29.762 -0.202 0.000 1.425 114 H HN 0.328 nan 8.280 nan 0.000 0.471 115 R N 3.666 124.287 120.500 0.203 0.000 2.621 115 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 115 R C -2.867 173.718 176.300 0.475 0.000 0.998 115 R CA -2.069 54.195 56.100 0.273 0.000 0.895 115 R CB 2.070 32.504 30.300 0.224 0.000 1.195 115 R HN 0.458 nan 8.270 nan 0.000 0.450 116 P HA 0.123 nan 4.420 nan 0.000 0.275 116 P C -0.714 176.704 177.300 0.197 0.000 1.266 116 P CA -0.349 62.875 63.100 0.207 0.000 0.793 116 P CB 0.869 32.620 31.700 0.086 0.000 1.074 117 S N -1.390 114.339 115.700 0.047 0.000 2.697 117 S HA 0.395 4.865 4.470 -0.000 0.000 0.289 117 S C 0.853 175.391 174.600 -0.103 0.000 1.149 117 S CA -0.772 57.440 58.200 0.021 0.000 0.850 117 S CB 1.579 64.809 63.200 0.050 0.000 1.151 117 S HN 0.335 nan 8.310 nan 0.000 0.491 118 K N 0.449 120.783 120.400 -0.110 0.000 2.057 118 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 118 K C 1.436 177.969 176.600 -0.112 0.000 1.049 118 K CA 1.684 57.880 56.287 -0.153 0.000 0.931 118 K CB -0.243 32.185 32.500 -0.119 0.000 0.714 118 K HN 0.738 nan 8.250 nan 0.000 0.440 119 E N -0.171 119.988 120.200 -0.068 0.000 2.318 119 E HA -0.019 4.330 4.350 -0.000 0.000 0.193 119 E C -0.142 176.429 176.600 -0.048 0.000 0.998 119 E CA 0.565 56.934 56.400 -0.052 0.000 0.859 119 E CB 0.441 30.121 29.700 -0.033 0.000 0.812 119 E HN 0.126 nan 8.360 nan 0.000 0.492 120 K N 1.025 121.397 120.400 -0.047 0.000 2.646 120 K HA 0.179 4.499 4.320 -0.000 0.000 0.210 120 K C -2.357 174.209 176.600 -0.055 0.000 1.020 120 K CA -1.198 55.062 56.287 -0.045 0.000 1.040 120 K CB 1.860 34.342 32.500 -0.030 0.000 1.253 120 K HN -0.101 nan 8.250 nan 0.000 0.532 121 P HA 0.057 nan 4.420 nan 0.000 0.252 121 P C -0.007 177.270 177.300 -0.039 0.000 1.218 121 P CA 0.264 63.310 63.100 -0.090 0.000 0.807 121 P CB 0.371 31.990 31.700 -0.134 0.000 1.072 122 N N 0.134 118.812 118.700 -0.036 0.000 2.313 122 N HA 0.158 4.898 4.740 -0.000 0.000 0.207 122 N C 1.399 176.877 175.510 -0.054 0.000 1.141 122 N CA 0.133 53.172 53.050 -0.018 0.000 0.830 122 N CB -0.311 38.164 38.487 -0.020 0.000 1.008 122 N HN 0.059 nan 8.380 nan 0.000 0.481 123 A N 0.027 122.783 122.820 -0.108 0.000 1.877 123 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 123 A C -0.027 177.248 177.584 -0.515 0.000 1.186 123 A CA 1.245 53.069 52.037 -0.355 0.000 0.620 123 A CB -0.278 18.474 19.000 -0.412 0.000 0.822 123 A HN 0.286 nan 8.150 nan 0.000 0.443 124 Y N -0.288 120.114 120.300 0.169 0.000 2.681 124 Y HA 0.413 4.963 4.550 -0.000 0.000 0.347 124 Y C -2.706 173.348 175.900 0.257 0.000 1.029 124 Y CA -3.114 55.120 58.100 0.224 0.000 1.279 124 Y CB 0.391 39.075 38.460 0.373 0.000 1.096 124 Y HN 0.120 nan 8.280 nan 0.000 0.580 125 P HA 0.148 nan 4.420 nan 0.000 0.272 125 P C -2.452 174.989 177.300 0.235 0.000 1.223 125 P CA -1.200 62.041 63.100 0.236 0.000 0.784 125 P CB 0.352 32.123 31.700 0.119 0.000 0.923 126 P HA 0.018 nan 4.420 nan 0.000 0.272 126 P C -0.328 176.896 177.300 -0.127 0.000 1.223 126 P CA 0.056 63.004 63.100 -0.255 0.000 0.784 126 P CB 0.511 31.962 31.700 -0.415 0.000 0.923 127 D N 2.252 122.555 120.400 -0.161 0.000 2.545 127 D HA 0.032 4.672 4.640 -0.000 0.000 0.227 127 D C 1.251 177.532 176.300 -0.032 0.000 1.150 127 D CA -0.167 53.800 54.000 -0.054 0.000 1.046 127 D CB -0.270 40.508 40.800 -0.036 0.000 1.098 127 D HN 0.042 nan 8.370 nan 0.000 0.502 128 I N 1.707 122.265 120.570 -0.021 0.000 2.315 128 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 128 I C 2.352 178.475 176.117 0.010 0.000 1.117 128 I CA 0.551 61.845 61.300 -0.010 0.000 1.404 128 I CB -1.280 36.718 38.000 -0.002 0.000 1.071 128 I HN 0.268 nan 8.210 nan 0.000 0.419 129 A N 0.767 123.602 122.820 0.025 0.000 1.908 129 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 129 A C 2.327 179.923 177.584 0.019 0.000 1.181 129 A CA 1.549 53.597 52.037 0.020 0.000 0.627 129 A CB -0.879 18.143 19.000 0.037 0.000 0.818 129 A HN 0.370 nan 8.150 nan 0.000 0.445 130 L N -0.785 120.481 121.223 0.071 0.000 1.994 130 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 130 L C 2.276 179.169 176.870 0.038 0.000 1.071 130 L CA 2.154 57.037 54.840 0.072 0.000 0.745 130 L CB -0.729 41.427 42.059 0.163 0.000 0.892 130 L HN 0.353 nan 8.230 nan 0.000 0.431 131 L N -0.162 121.078 121.223 0.028 0.000 2.012 131 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 131 L C 2.491 179.385 176.870 0.040 0.000 1.073 131 L CA 1.960 56.816 54.840 0.026 0.000 0.748 131 L CB -0.740 41.322 42.059 0.004 0.000 0.891 131 L HN 0.280 nan 8.230 nan 0.000 0.431 132 K N -1.132 119.288 120.400 0.033 0.000 2.103 132 K HA -0.248 4.072 4.320 -0.000 0.000 0.207 132 K C 2.167 178.817 176.600 0.083 0.000 1.048 132 K CA 1.600 57.917 56.287 0.049 0.000 0.930 132 K CB -0.189 32.325 32.500 0.023 0.000 0.716 132 K HN 0.338 nan 8.250 nan 0.000 0.444 133 Q N 0.917 120.746 119.800 0.048 0.000 2.079 133 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 133 Q C 1.920 178.009 176.000 0.148 0.000 0.974 133 Q CA 1.578 57.418 55.803 0.062 0.000 0.840 133 Q CB 0.005 28.726 28.738 -0.029 0.000 0.898 133 Q HN 0.246 nan 8.270 nan 0.000 0.430 134 M N -0.597 119.069 119.600 0.110 0.000 2.065 134 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 134 M C 2.079 178.477 176.300 0.164 0.000 1.069 134 M CA 1.562 56.939 55.300 0.129 0.000 1.110 134 M CB -0.417 32.242 32.600 0.098 0.000 1.328 134 M HN 0.250 nan 8.290 nan 0.000 0.405 135 I N -0.975 119.677 120.570 0.137 0.000 2.208 135 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 135 I C 2.512 178.756 176.117 0.212 0.000 1.097 135 I CA 1.568 62.958 61.300 0.150 0.000 1.363 135 I CB -0.613 37.447 38.000 0.100 0.000 1.051 135 I HN 0.248 nan 8.210 nan 0.000 0.413 136 Y N 1.645 121.996 120.300 0.085 0.000 2.128 136 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 136 Y C 2.270 178.215 175.900 0.075 0.000 1.154 136 Y CA 1.704 59.844 58.100 0.067 0.000 1.149 136 Y CB -0.221 38.258 38.460 0.032 0.000 0.976 136 Y HN 0.005 nan 8.280 nan 0.000 0.505 137 L N -1.165 120.153 121.223 0.159 0.000 2.156 137 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 137 L C 2.261 179.145 176.870 0.024 0.000 1.095 137 L CA 1.127 56.003 54.840 0.060 0.000 0.770 137 L CB -0.670 41.487 42.059 0.163 0.000 0.914 137 L HN 0.298 nan 8.230 nan 0.000 0.439 138 F N 0.691 120.623 119.950 -0.030 0.000 2.134 138 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 138 F C 2.111 177.869 175.800 -0.069 0.000 1.097 138 F CA 1.460 59.443 58.000 -0.029 0.000 1.264 138 F CB -0.102 38.898 39.000 0.001 0.000 1.001 138 F HN -0.124 nan 8.300 nan 0.000 0.479 139 L N -0.061 121.119 121.223 -0.072 0.000 2.191 139 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 139 L C 2.366 179.067 176.870 -0.280 0.000 1.103 139 L CA 0.744 55.471 54.840 -0.188 0.000 0.769 139 L CB -0.709 41.293 42.059 -0.095 0.000 0.908 139 L HN 0.190 nan 8.230 nan 0.000 0.438 140 Q N -0.209 119.402 119.800 -0.316 0.000 2.297 140 Q HA 0.022 4.362 4.340 -0.000 0.000 0.204 140 Q C 0.659 176.531 176.000 -0.213 0.000 0.962 140 Q CA 0.423 56.057 55.803 -0.280 0.000 0.879 140 Q CB -0.259 28.297 28.738 -0.302 0.000 0.947 140 Q HN 0.257 nan 8.270 nan 0.000 0.462 141 V N 3.530 123.293 119.914 -0.251 0.000 2.485 141 V HA -0.039 4.081 4.120 -0.000 0.000 0.287 141 V C -1.173 174.783 176.094 -0.231 0.000 1.022 141 V CA -0.540 61.622 62.300 -0.230 0.000 1.067 141 V CB 0.596 32.255 31.823 -0.273 0.000 0.967 141 V HN 0.142 nan 8.190 nan 0.000 0.479 142 P HA -0.156 nan 4.420 nan 0.000 0.217 142 P C 0.263 177.483 177.300 -0.133 0.000 1.162 142 P CA 1.370 64.397 63.100 -0.123 0.000 0.901 142 P CB 0.354 32.003 31.700 -0.086 0.000 0.793 143 E N -3.746 116.371 120.200 -0.137 0.000 2.366 143 E HA 0.513 4.862 4.350 -0.000 0.000 0.278 143 E C -0.176 176.349 176.600 -0.126 0.000 0.923 143 E CA -0.307 56.021 56.400 -0.120 0.000 0.761 143 E CB 2.178 31.836 29.700 -0.070 0.000 1.231 143 E HN 0.078 nan 8.360 nan 0.000 0.443 144 A N 3.026 125.787 122.820 -0.097 0.000 5.578 144 A HA -0.369 3.951 4.320 -0.000 0.000 0.312 144 A C 0.131 177.720 177.584 0.008 0.000 1.861 144 A CA 1.525 53.548 52.037 -0.023 0.000 0.719 144 A CB -1.465 17.535 19.000 0.000 0.000 1.323 144 A HN 1.138 nan 8.150 nan 0.000 0.387 145 N N -2.346 116.391 118.700 0.061 0.000 2.454 145 N HA -0.118 4.622 4.740 -0.000 0.000 0.280 145 N C 0.102 175.740 175.510 0.214 0.000 1.515 145 N CA 0.755 53.871 53.050 0.110 0.000 0.892 145 N CB -0.137 38.400 38.487 0.082 0.000 0.892 145 N HN 0.609 nan 8.380 nan 0.000 0.475 146 E N 1.417 121.697 120.200 0.134 0.000 2.400 146 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 146 E C 1.979 178.621 176.600 0.070 0.000 1.012 146 E CA 0.950 57.411 56.400 0.102 0.000 0.875 146 E CB -0.092 29.641 29.700 0.055 0.000 0.859 146 E HN 0.720 nan 8.360 nan 0.000 0.498 147 G N 1.568 110.415 108.800 0.078 0.000 2.418 147 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 147 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 147 G C 1.704 176.658 174.900 0.091 0.000 1.158 147 G CA 0.395 45.536 45.100 0.068 0.000 0.771 147 G HN 0.162 nan 8.290 nan 0.000 0.545 148 L N -0.096 121.216 121.223 0.149 0.000 2.027 148 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 148 L C 2.850 179.774 176.870 0.089 0.000 1.074 148 L CA 1.318 56.277 54.840 0.199 0.000 0.745 148 L CB -0.344 41.922 42.059 0.345 0.000 0.898 148 L HN 0.187 nan 8.230 nan 0.000 0.433 149 K N -0.020 120.365 120.400 -0.025 0.000 2.209 149 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 149 K C 1.538 178.007 176.600 -0.217 0.000 1.048 149 K CA 1.242 57.291 56.287 -0.398 0.000 0.940 149 K CB 0.005 32.234 32.500 -0.452 0.000 0.729 149 K HN 0.253 nan 8.250 nan 0.000 0.451 150 D N 1.110 121.445 120.400 -0.109 0.000 2.182 150 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 150 D C 1.554 177.759 176.300 -0.159 0.000 0.986 150 D CA 1.094 55.023 54.000 -0.118 0.000 0.847 150 D CB 0.115 40.864 40.800 -0.086 0.000 0.942 150 D HN 0.389 nan 8.370 nan 0.000 0.467 151 E N -0.071 120.075 120.200 -0.089 0.000 2.072 151 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 151 E C 2.287 178.915 176.600 0.047 0.000 0.985 151 E CA 0.490 56.884 56.400 -0.011 0.000 0.801 151 E CB 0.170 29.990 29.700 0.201 0.000 0.750 151 E HN 0.083 nan 8.360 nan 0.000 0.452 152 V N 1.343 121.239 119.914 -0.031 0.000 2.427 152 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 152 V C 2.267 178.319 176.094 -0.069 0.000 1.051 152 V CA 2.093 64.361 62.300 -0.053 0.000 1.048 152 V CB -0.637 31.088 31.823 -0.163 0.000 0.666 152 V HN 0.351 nan 8.190 nan 0.000 0.456 153 T N 0.415 114.899 114.554 -0.116 0.000 2.674 153 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 153 T C 1.898 176.543 174.700 -0.093 0.000 1.039 153 T CA 1.703 63.740 62.100 -0.105 0.000 1.150 153 T CB -0.378 68.420 68.868 -0.118 0.000 0.864 153 T HN 0.270 nan 8.240 nan 0.000 0.427 154 L N 0.817 121.952 121.223 -0.146 0.000 2.046 154 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 154 L C 2.172 179.020 176.870 -0.037 0.000 1.077 154 L CA 1.391 56.118 54.840 -0.188 0.000 0.747 154 L CB -0.871 40.888 42.059 -0.500 0.000 0.896 154 L HN 0.166 nan 8.230 nan 0.000 0.432 155 L N -1.241 120.036 121.223 0.089 0.000 2.056 155 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 155 L C 2.329 179.223 176.870 0.041 0.000 1.078 155 L CA 2.285 57.222 54.840 0.162 0.000 0.749 155 L CB -0.945 41.228 42.059 0.190 0.000 0.901 155 L HN 0.305 nan 8.230 nan 0.000 0.433 156 T N -1.245 113.313 114.554 0.007 0.000 2.746 156 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 156 T C 1.797 176.488 174.700 -0.015 0.000 1.039 156 T CA 1.546 63.636 62.100 -0.015 0.000 1.142 156 T CB -0.237 68.616 68.868 -0.026 0.000 0.866 156 T HN 0.271 nan 8.240 nan 0.000 0.444 157 Q N 1.334 121.123 119.800 -0.018 0.000 2.124 157 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 157 Q C 2.106 178.110 176.000 0.006 0.000 0.977 157 Q CA 1.322 57.115 55.803 -0.016 0.000 0.850 157 Q CB -0.411 28.308 28.738 -0.031 0.000 0.901 157 Q HN 0.378 nan 8.270 nan 0.000 0.429 158 N N -0.415 118.301 118.700 0.027 0.000 2.142 158 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 158 N C 1.697 177.272 175.510 0.108 0.000 1.023 158 N CA 1.189 54.283 53.050 0.073 0.000 0.852 158 N CB -0.157 38.389 38.487 0.097 0.000 0.998 158 N HN 0.330 nan 8.380 nan 0.000 0.424 159 I N 1.022 121.599 120.570 0.011 0.000 2.226 159 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 159 I C 2.383 178.540 176.117 0.065 0.000 1.100 159 I CA 1.027 62.302 61.300 -0.041 0.000 1.374 159 I CB -0.074 37.847 38.000 -0.132 0.000 1.057 159 I HN 0.063 nan 8.210 nan 0.000 0.413 160 R N 0.380 120.888 120.500 0.013 0.000 2.075 160 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 160 R C 1.747 178.003 176.300 -0.073 0.000 1.126 160 R CA 1.467 57.552 56.100 -0.025 0.000 0.963 160 R CB -0.220 30.064 30.300 -0.026 0.000 0.858 160 R HN 0.340 nan 8.270 nan 0.000 0.435 161 D N 0.103 120.482 120.400 -0.035 0.000 2.213 161 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 161 D C 0.333 176.575 176.300 -0.097 0.000 0.961 161 D CA 1.095 55.056 54.000 -0.066 0.000 0.853 161 D CB 0.336 41.123 40.800 -0.021 0.000 0.967 161 D HN 0.111 nan 8.370 nan 0.000 0.496 162 K N -0.102 120.291 120.400 -0.011 0.000 2.258 162 K HA 0.768 5.088 4.320 -0.000 0.000 0.236 162 K C -0.824 175.625 176.600 -0.252 0.000 1.008 162 K CA -0.887 55.379 56.287 -0.035 0.000 0.869 162 K CB 2.535 35.097 32.500 0.103 0.000 1.171 162 K HN -0.131 nan 8.250 nan 0.000 0.447 163 A N 1.257 123.824 122.820 -0.421 0.000 2.513 163 A HA 0.285 4.605 4.320 -0.000 0.000 0.296 163 A C -2.070 175.321 177.584 -0.322 0.000 1.052 163 A CA -0.634 50.975 52.037 -0.714 0.000 0.714 163 A CB 0.630 19.321 19.000 -0.514 0.000 1.279 163 A HN 0.695 nan 8.150 nan 0.000 0.397 164 Y N 2.234 122.168 120.300 -0.610 0.000 2.336 164 Y HA 0.569 5.119 4.550 -0.000 0.000 0.335 164 Y C 0.665 176.618 175.900 0.088 0.000 1.046 164 Y CA 1.299 59.291 58.100 -0.180 0.000 1.198 164 Y CB 0.897 39.253 38.460 -0.174 0.000 1.182 164 Y HN 1.363 nan 8.280 nan 0.000 0.502 165 G N 1.947 110.494 108.800 -0.423 0.000 2.323 165 G HA2 0.085 4.045 3.960 -0.000 0.000 0.291 165 G HA3 0.085 4.045 3.960 -0.000 0.000 0.291 165 G C -0.510 174.333 174.900 -0.096 0.000 1.278 165 G CA -0.238 44.789 45.100 -0.122 0.000 0.860 165 G HN 0.415 nan 8.290 nan 0.000 0.504 166 S N -0.089 115.609 115.700 -0.002 0.000 2.562 166 S HA 0.408 4.878 4.470 -0.000 0.000 0.221 166 S C 1.614 176.033 174.600 -0.302 0.000 0.975 166 S CA 1.532 59.641 58.200 -0.151 0.000 0.918 166 S CB -0.391 62.697 63.200 -0.188 0.000 0.772 166 S HN 2.279 nan 8.310 nan 0.000 0.531 167 G N 1.747 110.115 108.800 -0.721 0.000 2.528 167 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.262 167 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.262 167 G C -0.064 174.302 174.900 -0.891 0.000 1.200 167 G CA 0.054 44.254 45.100 -1.499 0.000 0.951 167 G HN 1.016 nan 8.290 nan 0.000 0.566 168 T N -3.709 110.331 114.554 -0.856 0.000 2.864 168 T HA 0.634 4.984 4.350 -0.000 0.000 0.299 168 T C 0.613 174.873 174.700 -0.733 0.000 1.166 168 T CA 0.200 61.802 62.100 -0.829 0.000 1.007 168 T CB 1.702 70.256 68.868 -0.523 0.000 1.219 168 T HN 0.679 nan 8.240 nan 0.000 0.506 169 Y N 0.488 120.348 120.300 -0.734 0.000 2.224 169 Y HA -0.060 4.490 4.550 -0.000 0.000 0.289 169 Y C 2.739 178.445 175.900 -0.323 0.000 1.146 169 Y CA 1.868 59.746 58.100 -0.371 0.000 1.182 169 Y CB -0.456 37.842 38.460 -0.270 0.000 0.983 169 Y HN 0.685 nan 8.280 nan 0.000 0.524 170 M N 0.028 119.506 119.600 -0.202 0.000 2.159 170 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 170 M C 2.186 178.303 176.300 -0.306 0.000 1.063 170 M CA 2.149 57.265 55.300 -0.308 0.000 1.110 170 M CB -0.883 31.554 32.600 -0.271 0.000 1.374 170 M HN 0.158 nan 8.290 nan 0.000 0.411 171 G N -0.933 107.679 108.800 -0.313 0.000 2.403 171 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 171 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 171 G C 1.416 176.180 174.900 -0.227 0.000 1.154 171 G CA 0.520 45.434 45.100 -0.310 0.000 0.784 171 G HN 0.587 nan 8.290 nan 0.000 0.538 172 Q N 0.282 119.961 119.800 -0.200 0.000 2.020 172 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 172 Q C 3.059 179.034 176.000 -0.041 0.000 0.982 172 Q CA 1.317 57.065 55.803 -0.091 0.000 0.838 172 Q CB -0.305 28.410 28.738 -0.038 0.000 0.899 172 Q HN 0.442 nan 8.270 nan 0.000 0.423 173 A N 1.644 124.432 122.820 -0.054 0.000 1.908 173 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 173 A C 1.933 179.578 177.584 0.102 0.000 1.181 173 A CA 1.596 53.632 52.037 -0.002 0.000 0.627 173 A CB -0.735 18.239 19.000 -0.043 0.000 0.818 173 A HN 0.332 nan 8.150 nan 0.000 0.445 174 N N -0.315 118.391 118.700 0.010 0.000 2.120 174 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 174 N C 1.978 177.529 175.510 0.068 0.000 1.024 174 N CA 1.671 54.778 53.050 0.094 0.000 0.852 174 N CB -0.241 38.225 38.487 -0.034 0.000 1.003 174 N HN 0.479 nan 8.380 nan 0.000 0.424 175 R N 1.204 121.712 120.500 0.014 0.000 2.081 175 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 175 R C 2.334 178.672 176.300 0.064 0.000 1.131 175 R CA 1.045 57.164 56.100 0.030 0.000 0.960 175 R CB -0.696 29.613 30.300 0.015 0.000 0.856 175 R HN 0.247 nan 8.270 nan 0.000 0.436 176 L N -0.257 120.999 121.223 0.055 0.000 2.083 176 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 176 L C 2.244 179.198 176.870 0.140 0.000 1.083 176 L CA 1.136 56.028 54.840 0.087 0.000 0.752 176 L CB -0.436 41.559 42.059 -0.105 0.000 0.899 176 L HN 0.081 nan 8.230 nan 0.000 0.433 177 V N -0.022 119.928 119.914 0.060 0.000 2.515 177 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 177 V C 2.704 178.825 176.094 0.046 0.000 1.058 177 V CA 1.574 63.918 62.300 0.074 0.000 1.064 177 V CB -0.859 30.974 31.823 0.016 0.000 0.675 177 V HN 0.467 nan 8.190 nan 0.000 0.461 178 A N -0.103 122.748 122.820 0.051 0.000 1.930 178 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 178 A C 2.239 179.838 177.584 0.025 0.000 1.175 178 A CA 1.769 53.824 52.037 0.030 0.000 0.627 178 A CB -0.372 18.650 19.000 0.036 0.000 0.815 178 A HN 0.416 nan 8.150 nan 0.000 0.443 179 M N -0.375 119.266 119.600 0.067 0.000 2.132 179 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 179 M C 2.130 178.431 176.300 0.000 0.000 1.065 179 M CA 1.836 57.183 55.300 0.079 0.000 1.122 179 M CB -1.083 31.619 32.600 0.170 0.000 1.365 179 M HN 0.513 nan 8.290 nan 0.000 0.411 180 K N 0.477 120.820 120.400 -0.095 0.000 2.097 180 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 180 K C 1.884 178.299 176.600 -0.308 0.000 1.049 180 K CA 1.484 57.459 56.287 -0.520 0.000 0.933 180 K CB 0.108 32.192 32.500 -0.692 0.000 0.717 180 K HN 0.088 nan 8.250 nan 0.000 0.442 181 E N 0.125 120.234 120.200 -0.150 0.000 2.106 181 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 181 E C 1.745 178.296 176.600 -0.082 0.000 0.984 181 E CA 0.810 57.148 56.400 -0.105 0.000 0.806 181 E CB 0.071 29.733 29.700 -0.063 0.000 0.750 181 E HN 0.078 nan 8.360 nan 0.000 0.458 182 V N 0.315 120.192 119.914 -0.061 0.000 2.407 182 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 182 V C 2.146 178.212 176.094 -0.047 0.000 1.055 182 V CA 1.889 64.161 62.300 -0.047 0.000 1.049 182 V CB -0.580 31.228 31.823 -0.026 0.000 0.662 182 V HN 0.413 nan 8.190 nan 0.000 0.455 183 A N -0.146 122.646 122.820 -0.047 0.000 1.984 183 A HA -0.030 4.289 4.320 -0.000 0.000 0.214 183 A C 2.129 179.700 177.584 -0.021 0.000 1.173 183 A CA 1.666 53.696 52.037 -0.012 0.000 0.673 183 A CB -0.204 18.831 19.000 0.057 0.000 0.830 183 A HN 0.601 nan 8.150 nan 0.000 0.453 184 T N -5.194 109.315 114.554 -0.075 0.000 3.087 184 T HA 0.420 4.770 4.350 -0.000 0.000 0.283 184 T C 1.192 175.849 174.700 -0.071 0.000 0.956 184 T CA 0.776 62.837 62.100 -0.064 0.000 0.894 184 T CB 0.382 69.203 68.868 -0.078 0.000 1.160 184 T HN 0.298 nan 8.240 nan 0.000 0.532 185 G N 1.801 110.555 108.800 -0.078 0.000 2.766 185 G HA2 0.226 4.186 3.960 -0.000 0.000 0.206 185 G HA3 0.226 4.186 3.960 -0.000 0.000 0.206 185 G C 1.203 176.071 174.900 -0.054 0.000 2.072 185 G CA 0.060 45.120 45.100 -0.067 0.000 0.798 185 G HN 0.331 nan 8.290 nan 0.000 0.703 186 R N 0.137 120.604 120.500 -0.055 0.000 2.080 186 R HA -0.097 4.243 4.340 -0.000 0.000 0.236 186 R C 0.249 176.515 176.300 -0.057 0.000 1.137 186 R CA 1.749 57.817 56.100 -0.054 0.000 0.943 186 R CB -0.250 30.015 30.300 -0.058 0.000 0.846 186 R HN 0.360 nan 8.270 nan 0.000 0.431 187 N N 0.532 119.195 118.700 -0.062 0.000 2.790 187 N HA 0.257 4.997 4.740 -0.000 0.000 0.256 187 N C -2.760 172.721 175.510 -0.048 0.000 1.409 187 N CA -2.200 50.812 53.050 -0.063 0.000 0.799 187 N CB 1.420 39.852 38.487 -0.091 0.000 1.170 187 N HN 0.030 nan 8.380 nan 0.000 0.507 188 P HA 0.038 nan 4.420 nan 0.000 0.266 188 P C -0.503 176.793 177.300 -0.007 0.000 1.195 188 P CA -0.012 63.076 63.100 -0.020 0.000 0.768 188 P CB 0.592 32.283 31.700 -0.015 0.000 0.838 189 N N 2.188 120.893 118.700 0.008 0.000 2.454 189 N HA 0.059 4.799 4.740 -0.000 0.000 0.254 189 N C 0.193 175.727 175.510 0.040 0.000 1.228 189 N CA 0.521 53.588 53.050 0.029 0.000 0.900 189 N CB 0.206 38.720 38.487 0.045 0.000 1.089 189 N HN 0.308 nan 8.380 nan 0.000 0.449 190 K N 0.810 121.249 120.400 0.065 0.000 2.323 190 K HA 0.133 4.453 4.320 -0.000 0.000 0.259 190 K C -1.009 175.615 176.600 0.040 0.000 0.947 190 K CA -0.844 55.472 56.287 0.047 0.000 0.819 190 K CB 1.707 34.229 32.500 0.037 0.000 1.109 190 K HN 0.421 nan 8.250 nan 0.000 0.429 191 D N 4.934 125.321 120.400 -0.021 0.000 2.389 191 D HA -0.003 4.637 4.640 -0.000 0.000 0.263 191 D C -1.294 174.920 176.300 -0.143 0.000 1.255 191 D CA -1.820 52.114 54.000 -0.111 0.000 0.914 191 D CB 1.057 41.813 40.800 -0.073 0.000 1.116 191 D HN 0.233 nan 8.370 nan 0.000 0.502 192 P HA -0.134 nan 4.420 nan 0.000 0.220 192 P C 1.660 178.927 177.300 -0.055 0.000 1.148 192 P CA 0.787 63.762 63.100 -0.208 0.000 0.803 192 P CB 0.267 31.684 31.700 -0.471 0.000 0.782 193 L N -0.636 120.500 121.223 -0.144 0.000 2.291 193 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 193 L C 2.147 178.983 176.870 -0.057 0.000 1.120 193 L CA 1.238 55.999 54.840 -0.132 0.000 0.799 193 L CB -0.795 41.111 42.059 -0.256 0.000 0.925 193 L HN -0.073 nan 8.230 nan 0.000 0.446 194 K N 0.284 120.659 120.400 -0.043 0.000 2.458 194 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 194 K C 0.938 177.541 176.600 0.004 0.000 1.024 194 K CA 0.225 56.501 56.287 -0.018 0.000 1.108 194 K CB 0.300 32.787 32.500 -0.022 0.000 0.846 194 K HN 0.297 nan 8.250 nan 0.000 0.518 195 L N -0.804 120.439 121.223 0.034 0.000 3.014 195 L HA 0.242 4.582 4.340 -0.000 0.000 0.263 195 L C 0.975 177.843 176.870 -0.003 0.000 1.207 195 L CA -0.133 54.741 54.840 0.056 0.000 1.017 195 L CB 0.960 43.106 42.059 0.145 0.000 1.360 195 L HN 0.348 nan 8.230 nan 0.000 0.560 196 G N -1.158 107.624 108.800 -0.031 0.000 2.258 196 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.233 196 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.233 196 G C 0.119 174.926 174.900 -0.156 0.000 1.006 196 G CA -0.407 44.624 45.100 -0.114 0.000 0.620 196 G HN 0.182 nan 8.290 nan 0.000 0.511 197 Y N 2.275 122.523 120.300 -0.087 0.000 2.457 197 Y HA 0.461 5.011 4.550 -0.000 0.000 0.341 197 Y C 1.398 177.189 175.900 -0.181 0.000 1.240 197 Y CA 0.997 59.015 58.100 -0.136 0.000 1.437 197 Y CB 0.986 39.355 38.460 -0.152 0.000 1.328 197 Y HN 0.385 nan 8.280 nan 0.000 0.588 198 T N -2.113 112.396 114.554 -0.075 0.000 2.887 198 T HA 0.360 4.709 4.350 -0.000 0.000 0.292 198 T C 0.405 174.914 174.700 -0.317 0.000 1.087 198 T CA -0.772 61.170 62.100 -0.263 0.000 1.009 198 T CB 0.687 69.343 68.868 -0.355 0.000 1.203 198 T HN 0.319 nan 8.240 nan 0.000 0.518 199 F N 0.608 120.389 119.950 -0.281 0.000 2.120 199 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 199 F C 2.558 178.071 175.800 -0.478 0.000 1.095 199 F CA 1.757 59.458 58.000 -0.499 0.000 1.249 199 F CB -0.767 37.648 39.000 -0.975 0.000 0.995 199 F HN 0.715 nan 8.300 nan 0.000 0.480 200 E N 0.514 120.501 120.200 -0.354 0.000 2.046 200 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 200 E C 2.323 178.781 176.600 -0.235 0.000 0.982 200 E CA 1.702 57.983 56.400 -0.199 0.000 0.800 200 E CB -0.481 28.856 29.700 -0.606 0.000 0.756 200 E HN 0.253 nan 8.360 nan 0.000 0.449 201 S N 0.043 115.465 115.700 -0.463 0.000 2.382 201 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 201 S C 2.168 176.659 174.600 -0.181 0.000 1.027 201 S CA 1.297 59.190 58.200 -0.512 0.000 0.991 201 S CB -0.680 62.154 63.200 -0.610 0.000 0.823 201 S HN 0.348 nan 8.310 nan 0.000 0.469 202 I N 2.326 122.859 120.570 -0.063 0.000 2.179 202 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 202 I C 3.089 179.200 176.117 -0.009 0.000 1.088 202 I CA 1.220 62.510 61.300 -0.017 0.000 1.357 202 I CB -0.668 37.321 38.000 -0.018 0.000 1.051 202 I HN 0.447 nan 8.210 nan 0.000 0.409 203 A N -0.150 122.740 122.820 0.117 0.000 2.019 203 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 203 A C 2.228 179.926 177.584 0.190 0.000 1.164 203 A CA 1.369 53.579 52.037 0.288 0.000 0.644 203 A CB -0.472 18.882 19.000 0.590 0.000 0.805 203 A HN 0.495 nan 8.150 nan 0.000 0.449 204 Q N -0.807 119.028 119.800 0.058 0.000 2.245 204 Q HA 0.072 4.412 4.340 -0.000 0.000 0.201 204 Q C 1.853 177.846 176.000 -0.011 0.000 0.955 204 Q CA 0.728 56.543 55.803 0.020 0.000 0.870 204 Q CB -0.126 28.569 28.738 -0.073 0.000 0.945 204 Q HN 0.689 nan 8.270 nan 0.000 0.461 205 L N -0.046 121.148 121.223 -0.048 0.000 2.131 205 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 205 L C 2.004 178.821 176.870 -0.088 0.000 1.087 205 L CA 0.756 55.565 54.840 -0.051 0.000 0.767 205 L CB -0.143 41.890 42.059 -0.044 0.000 0.917 205 L HN 0.203 nan 8.230 nan 0.000 0.441 206 L N -0.522 120.575 121.223 -0.209 0.000 2.376 206 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 206 L C 1.897 178.609 176.870 -0.264 0.000 1.133 206 L CA 0.382 54.951 54.840 -0.451 0.000 0.816 206 L CB -0.462 40.911 42.059 -1.143 0.000 0.933 206 L HN 0.238 nan 8.230 nan 0.000 0.449 207 D N 0.235 120.647 120.400 0.020 0.000 2.144 207 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 207 D C 2.149 178.502 176.300 0.089 0.000 0.984 207 D CA 1.245 55.344 54.000 0.166 0.000 0.834 207 D CB 0.183 41.073 40.800 0.149 0.000 0.955 207 D HN 0.213 nan 8.370 nan 0.000 0.465 208 I N 0.642 121.240 120.570 0.047 0.000 2.296 208 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 208 I C 2.450 178.603 176.117 0.061 0.000 1.087 208 I CA 1.234 62.568 61.300 0.055 0.000 1.393 208 I CB -1.440 36.591 38.000 0.051 0.000 1.093 208 I HN 0.055 nan 8.210 nan 0.000 0.421 209 T N -1.306 113.273 114.554 0.042 0.000 3.088 209 T HA 0.063 4.413 4.350 -0.000 0.000 0.259 209 T C 0.769 175.531 174.700 0.103 0.000 1.122 209 T CA 0.317 62.477 62.100 0.101 0.000 1.095 209 T CB 0.040 68.970 68.868 0.103 0.000 0.930 209 T HN 0.082 nan 8.240 nan 0.000 0.508 210 L N 1.529 122.735 121.223 -0.027 0.000 2.435 210 L HA 0.482 4.822 4.340 -0.000 0.000 0.259 210 L C -2.986 173.904 176.870 0.034 0.000 1.563 210 L CA -1.889 52.881 54.840 -0.116 0.000 0.789 210 L CB 1.484 43.331 42.059 -0.352 0.000 0.989 210 L HN -0.151 nan 8.230 nan 0.000 0.522 211 P HA 0.190 nan 4.420 nan 0.000 0.264 211 P C -0.898 176.435 177.300 0.054 0.000 1.193 211 P CA 0.231 63.389 63.100 0.096 0.000 0.763 211 P CB 0.864 32.606 31.700 0.070 0.000 0.810 212 V N 1.104 121.033 119.914 0.025 0.000 2.823 212 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 212 V C 0.195 176.208 176.094 -0.135 0.000 1.072 212 V CA -0.703 61.548 62.300 -0.082 0.000 0.937 212 V CB 1.861 33.596 31.823 -0.147 0.000 1.013 212 V HN 0.611 nan 8.190 nan 0.000 0.430 213 G N 2.036 110.733 108.800 -0.172 0.000 2.753 213 G HA2 0.825 4.785 3.960 -0.000 0.000 0.285 213 G HA3 0.825 4.785 3.960 -0.000 0.000 0.285 213 G C -2.873 171.859 174.900 -0.280 0.000 1.344 213 G CA -1.719 43.269 45.100 -0.187 0.000 1.050 213 G HN 0.729 nan 8.290 nan 0.000 0.532 214 P HA 0.335 nan 4.420 nan 0.000 0.278 214 P C -2.781 174.247 177.300 -0.454 0.000 1.258 214 P CA -1.593 61.302 63.100 -0.341 0.000 0.811 214 P CB 0.730 32.305 31.700 -0.208 0.000 1.063 215 P HA 0.378 nan 4.420 nan 0.000 0.271 215 P C 0.136 177.167 177.300 -0.449 0.000 1.216 215 P CA 0.607 63.222 63.100 -0.808 0.000 0.776 215 P CB 0.185 31.192 31.700 -1.156 0.000 0.881 219 D N -1.944 118.468 120.400 0.019 0.000 2.531 219 D HA 0.136 4.776 4.640 -0.000 0.000 0.176 219 D C 2.039 178.364 176.300 0.041 0.000 1.217 219 D CA 3.990 58.008 54.000 0.030 0.000 1.125 219 D CB -2.462 38.361 40.800 0.038 0.000 1.148 219 D HN 2.663 nan 8.370 nan 0.000 0.430 220 K N -1.321 119.111 120.400 0.054 0.000 3.393 220 K HA 0.083 4.403 4.320 -0.000 0.000 0.272 220 K C -1.316 175.362 176.600 0.130 0.000 1.004 220 K CA 1.725 58.055 56.287 0.071 0.000 0.764 220 K CB -2.671 29.837 32.500 0.012 0.000 1.373 220 K HN 1.453 nan 8.250 nan 0.000 0.458 221 P HA 0.422 nan 4.420 nan 0.000 0.212 221 P C -0.870 176.638 177.300 0.346 0.000 1.860 221 P CA -0.503 62.720 63.100 0.206 0.000 1.135 221 P CB 0.029 31.819 31.700 0.150 0.000 1.801 222 W N 3.437 124.802 121.300 0.108 0.000 2.781 222 W HA 0.436 5.096 4.660 -0.000 0.000 0.345 222 W C -0.595 175.930 176.519 0.011 0.000 1.085 222 W CA -0.776 56.652 57.345 0.138 0.000 1.198 222 W CB 2.853 32.366 29.460 0.088 0.000 1.423 222 W HN -0.065 nan 8.180 nan 0.000 0.532 223 V N 1.948 121.738 119.914 -0.206 0.000 2.785 223 V HA 0.469 4.589 4.120 -0.000 0.000 0.300 223 V C -2.312 173.896 176.094 0.190 0.000 1.062 223 V CA -1.940 60.255 62.300 -0.175 0.000 1.029 223 V CB 0.498 31.980 31.823 -0.568 0.000 1.024 223 V HN 0.331 nan 8.190 nan 0.000 0.477 224 P HA 0.344 nan 4.420 nan 0.000 0.274 224 P C -0.312 176.922 177.300 -0.111 0.000 1.246 224 P CA -0.580 62.613 63.100 0.154 0.000 0.795 224 P CB 0.417 32.162 31.700 0.075 0.000 1.006 225 L N 1.817 122.803 121.223 -0.396 0.000 2.376 225 L HA 0.114 4.454 4.340 -0.000 0.000 0.250 225 L C 0.574 177.177 176.870 -0.445 0.000 1.335 225 L CA 0.477 54.800 54.840 -0.863 0.000 1.214 225 L CB -1.055 40.198 42.059 -1.343 0.000 1.395 225 L HN 0.567 nan 8.230 nan 0.000 0.424 226 T N -2.358 112.097 114.554 -0.165 0.000 3.192 226 T HA 0.193 4.543 4.350 -0.000 0.000 0.295 226 T C 0.303 175.103 174.700 0.167 0.000 0.947 226 T CA -0.633 61.525 62.100 0.098 0.000 0.916 226 T CB 0.184 69.073 68.868 0.035 0.000 1.169 226 T HN 0.492 nan 8.240 nan 0.000 0.540 227 R N 0.551 121.162 120.500 0.185 0.000 2.837 227 R HA 0.802 5.142 4.340 -0.000 0.000 0.271 227 R C -0.503 175.969 176.300 0.286 0.000 0.993 227 R CA -1.069 55.135 56.100 0.173 0.000 0.931 227 R CB 1.424 31.757 30.300 0.056 0.000 1.206 227 R HN 0.054 nan 8.270 nan 0.000 0.474 228 V N -1.109 118.910 119.914 0.175 0.000 2.924 228 V HA 0.215 4.335 4.120 -0.000 0.000 0.305 228 V C -1.654 174.529 176.094 0.148 0.000 1.073 228 V CA -1.479 60.910 62.300 0.148 0.000 1.098 228 V CB 0.458 32.312 31.823 0.052 0.000 1.000 228 V HN 0.794 nan 8.190 nan 0.000 0.484 229 P HA -0.170 nan 4.420 nan 0.000 0.217 229 P C 1.948 179.306 177.300 0.096 0.000 1.148 229 P CA 1.953 65.132 63.100 0.132 0.000 0.828 229 P CB 0.151 31.920 31.700 0.115 0.000 0.783 230 S N -0.305 115.438 115.700 0.073 0.000 2.370 230 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 230 S C 1.804 176.460 174.600 0.092 0.000 1.033 230 S CA 1.020 59.256 58.200 0.060 0.000 1.011 230 S CB -0.512 62.710 63.200 0.037 0.000 0.852 230 S HN 0.121 nan 8.310 nan 0.000 0.457 231 R N 0.100 120.655 120.500 0.092 0.000 2.335 231 R HA 0.223 4.563 4.340 -0.000 0.000 0.223 231 R C 1.080 177.436 176.300 0.093 0.000 0.940 231 R CA 0.020 56.179 56.100 0.098 0.000 1.086 231 R CB -0.016 30.324 30.300 0.068 0.000 1.073 231 R HN 0.433 nan 8.270 nan 0.000 0.504 232 M N 0.380 120.048 119.600 0.113 0.000 2.618 232 M HA 0.097 4.577 4.480 -0.000 0.000 0.240 232 M C -0.225 176.222 176.300 0.245 0.000 1.123 232 M CA 0.567 55.951 55.300 0.140 0.000 1.060 232 M CB 0.087 32.774 32.600 0.145 0.000 1.535 232 M HN -0.052 nan 8.290 nan 0.000 0.507 233 L N 0.928 122.285 121.223 0.223 0.000 2.296 233 L HA 0.484 4.824 4.340 -0.000 0.000 0.286 233 L C -0.200 176.827 176.870 0.261 0.000 1.023 233 L CA -0.545 54.454 54.840 0.265 0.000 0.812 233 L CB 1.246 43.506 42.059 0.335 0.000 1.223 233 L HN -0.246 nan 8.230 nan 0.000 0.421 234 V N 4.638 124.652 119.914 0.167 0.000 2.417 234 V HA 0.280 4.400 4.120 -0.000 0.000 0.291 234 V C 0.399 176.407 176.094 -0.143 0.000 1.024 234 V CA -0.771 61.562 62.300 0.056 0.000 0.861 234 V CB 1.781 33.667 31.823 0.107 0.000 0.985 234 V HN 0.598 nan 8.190 nan 0.000 0.436 235 L N 2.366 123.420 121.223 -0.281 0.000 2.533 235 L HA 0.519 4.859 4.340 -0.000 0.000 0.239 235 L C 1.086 177.789 176.870 -0.278 0.000 1.376 235 L CA 0.198 54.736 54.840 -0.504 0.000 1.240 235 L CB -1.519 40.115 42.059 -0.709 0.000 1.487 235 L HN 0.723 nan 8.230 nan 0.000 0.419 236 T N 0.534 114.972 114.554 -0.193 0.000 2.793 236 T HA 0.441 4.790 4.350 -0.000 0.000 0.289 236 T C 0.989 175.613 174.700 -0.126 0.000 0.956 236 T CA 0.384 62.412 62.100 -0.121 0.000 1.177 236 T CB -0.450 68.370 68.868 -0.080 0.000 0.897 236 T HN 1.377 nan 8.240 nan 0.000 0.533 237 G N 3.726 112.466 108.800 -0.100 0.000 3.429 237 G HA2 0.026 3.986 3.960 -0.000 0.000 0.605 237 G HA3 0.026 3.986 3.960 -0.000 0.000 0.605 237 G C -0.519 174.317 174.900 -0.108 0.000 0.973 237 G CA -0.469 44.578 45.100 -0.087 0.000 0.774 237 G HN 0.945 nan 8.290 nan 0.000 0.422 238 D N 0.372 120.719 120.400 -0.087 0.000 2.368 238 D HA 0.428 5.068 4.640 -0.000 0.000 0.240 238 D C 1.257 177.514 176.300 -0.071 0.000 1.169 238 D CA 0.978 54.926 54.000 -0.087 0.000 0.906 238 D CB 1.246 42.010 40.800 -0.059 0.000 1.187 238 D HN 1.395 nan 8.370 nan 0.000 0.435 239 V N -0.520 119.355 119.914 -0.065 0.000 3.559 239 V HA -0.158 3.962 4.120 -0.000 0.000 0.476 239 V C 0.460 176.526 176.094 -0.048 0.000 0.682 239 V CA 0.834 63.110 62.300 -0.040 0.000 1.988 239 V CB -2.102 29.707 31.823 -0.024 0.000 2.423 239 V HN 0.834 nan 8.190 nan 0.000 0.500 246 E N 2.870 123.005 120.200 -0.107 0.000 2.227 246 E HA 0.623 4.973 4.350 -0.000 0.000 0.282 246 E C -0.748 175.664 176.600 -0.314 0.000 1.015 246 E CA -0.195 56.064 56.400 -0.236 0.000 0.823 246 E CB 1.713 31.254 29.700 -0.265 0.000 1.081 246 E HN 0.942 nan 8.360 nan 0.000 0.396 247 D N 1.436 121.598 120.400 -0.396 0.000 2.349 247 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 247 D C -0.610 175.409 176.300 -0.467 0.000 1.071 247 D CA -0.202 53.640 54.000 -0.263 0.000 0.832 247 D CB 0.794 41.543 40.800 -0.086 0.000 1.086 247 D HN 0.563 nan 8.370 nan 0.000 0.504 248 Y N 1.936 122.156 120.300 -0.132 0.000 2.444 248 Y HA 0.260 4.810 4.550 -0.000 0.000 0.252 248 Y C 0.877 176.880 175.900 0.171 0.000 1.091 248 Y CA -0.244 57.691 58.100 -0.275 0.000 1.276 248 Y CB 0.513 38.679 38.460 -0.489 0.000 1.170 248 Y HN 0.219 nan 8.280 nan 0.000 0.517 249 L N 4.331 125.707 121.223 0.255 0.000 2.455 249 L HA 0.123 4.462 4.340 -0.000 0.000 0.272 249 L C -1.921 175.047 176.870 0.163 0.000 1.174 249 L CA -1.860 53.114 54.840 0.224 0.000 0.869 249 L CB 0.145 42.276 42.059 0.120 0.000 1.130 249 L HN -0.082 nan 8.230 nan 0.000 0.474 250 P HA -0.008 nan 4.420 nan 0.000 0.267 250 P C -0.847 176.128 177.300 -0.542 0.000 1.200 250 P CA -0.321 62.540 63.100 -0.398 0.000 0.772 250 P CB 0.642 32.264 31.700 -0.131 0.000 0.855 251 K N 2.351 122.170 120.400 -0.968 0.000 2.276 251 K HA 0.359 4.679 4.320 -0.000 0.000 0.283 251 K C -0.154 176.247 176.600 -0.331 0.000 1.044 251 K CA -0.336 55.660 56.287 -0.485 0.000 0.944 251 K CB -0.414 31.864 32.500 -0.370 0.000 1.012 251 K HN 0.402 nan 8.250 nan 0.000 0.472 252 I N 1.058 121.521 120.570 -0.178 0.000 2.569 252 I HA 0.424 4.594 4.170 -0.000 0.000 0.296 252 I C -0.340 175.711 176.117 -0.111 0.000 1.028 252 I CA -0.863 60.361 61.300 -0.127 0.000 1.082 252 I CB 1.852 39.783 38.000 -0.114 0.000 1.264 252 I HN 0.566 nan 8.210 nan 0.000 0.429 253 N N 6.661 125.299 118.700 -0.104 0.000 2.430 253 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 253 N C 0.282 175.740 175.510 -0.086 0.000 1.100 253 N CA -0.374 52.628 53.050 -0.079 0.000 0.961 253 N CB 1.420 39.872 38.487 -0.058 0.000 1.075 253 N HN 0.911 nan 8.380 nan 0.000 0.478 254 L N 2.150 123.332 121.223 -0.068 0.000 2.549 254 L HA -0.087 4.252 4.340 -0.000 0.000 0.229 254 L C 1.747 178.581 176.870 -0.061 0.000 1.158 254 L CA 0.834 55.635 54.840 -0.065 0.000 0.842 254 L CB -0.279 41.750 42.059 -0.050 0.000 0.952 254 L HN 0.581 nan 8.230 nan 0.000 0.452 255 K N -0.384 119.982 120.400 -0.058 0.000 2.354 255 K HA 0.104 4.424 4.320 -0.000 0.000 0.194 255 K C 1.111 177.669 176.600 -0.069 0.000 1.045 255 K CA 0.113 56.373 56.287 -0.046 0.000 1.026 255 K CB 0.433 32.919 32.500 -0.022 0.000 0.866 255 K HN 0.274 nan 8.250 nan 0.000 0.530 256 S N 1.553 117.190 115.700 -0.104 0.000 2.593 256 S HA 0.108 4.578 4.470 -0.000 0.000 0.269 256 S C 0.426 174.937 174.600 -0.149 0.000 1.334 256 S CA -0.849 57.257 58.200 -0.156 0.000 1.015 256 S CB 1.014 64.102 63.200 -0.186 0.000 0.912 256 S HN 0.211 nan 8.310 nan 0.000 0.541 257 S N 0.991 116.582 115.700 -0.182 0.000 2.564 257 S HA 0.197 4.667 4.470 -0.000 0.000 0.278 257 S C 1.086 175.612 174.600 -0.123 0.000 1.333 257 S CA -0.204 57.918 58.200 -0.129 0.000 1.048 257 S CB 1.141 64.265 63.200 -0.127 0.000 0.900 257 S HN 0.890 nan 8.310 nan 0.000 0.505 258 S N 3.456 119.115 115.700 -0.069 0.000 2.382 258 S HA 0.215 4.685 4.470 -0.000 0.000 0.228 258 S C 1.318 175.899 174.600 -0.032 0.000 1.027 258 S CA 1.400 59.580 58.200 -0.034 0.000 0.991 258 S CB -1.578 61.640 63.200 0.030 0.000 0.823 258 S HN 2.124 nan 8.310 nan 0.000 0.469 259 G N 0.072 108.833 108.800 -0.065 0.000 2.725 259 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 259 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 259 G C -0.573 174.280 174.900 -0.078 0.000 1.357 259 G CA -0.362 44.662 45.100 -0.127 0.000 0.866 259 G HN 0.596 nan 8.290 nan 0.000 0.548 260 L N 1.544 122.680 121.223 -0.146 0.000 2.485 260 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 260 L C -1.090 175.651 176.870 -0.214 0.000 1.207 260 L CA -0.882 53.833 54.840 -0.208 0.000 0.855 260 L CB 0.720 42.638 42.059 -0.235 0.000 1.114 260 L HN 0.483 nan 8.230 nan 0.000 0.485 261 P HA 0.109 nan 4.420 nan 0.000 0.236 261 P C -1.013 175.810 177.300 -0.795 0.000 1.749 261 P CA 0.085 62.717 63.100 -0.781 0.000 0.994 261 P CB -0.156 30.884 31.700 -1.100 0.000 1.599 262 Y N -0.999 119.257 120.300 -0.075 0.000 2.511 262 Y HA 0.196 4.746 4.550 -0.000 0.000 0.356 262 Y C 0.514 176.401 175.900 -0.022 0.000 1.002 262 Y CA -1.157 56.921 58.100 -0.037 0.000 1.127 262 Y CB 0.566 39.001 38.460 -0.042 0.000 1.137 262 Y HN -0.277 nan 8.280 nan 0.000 0.652 263 V N 1.182 121.151 119.914 0.090 0.000 2.673 263 V HA 0.293 4.413 4.120 -0.000 0.000 0.303 263 V C 1.289 177.462 176.094 0.132 0.000 1.046 263 V CA 0.971 63.333 62.300 0.103 0.000 1.126 263 V CB 0.491 32.401 31.823 0.145 0.000 0.934 263 V HN 0.965 nan 8.190 nan 0.000 0.487 264 G N 4.164 113.049 108.800 0.141 0.000 2.147 264 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 264 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 264 G C 0.098 175.050 174.900 0.087 0.000 1.005 264 G CA 0.332 45.510 45.100 0.129 0.000 0.713 264 G HN 0.700 nan 8.290 nan 0.000 0.515 265 R N -0.277 120.268 120.500 0.074 0.000 2.795 265 R HA 0.666 5.006 4.340 -0.000 0.000 0.275 265 R C 0.323 176.625 176.300 0.003 0.000 0.981 265 R CA -0.193 55.928 56.100 0.035 0.000 0.917 265 R CB 1.498 31.818 30.300 0.034 0.000 1.202 265 R HN 0.289 nan 8.270 nan 0.000 0.469 266 T N -1.486 113.053 114.554 -0.026 0.000 2.927 266 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 266 T C 0.978 175.632 174.700 -0.077 0.000 0.998 266 T CA -0.987 61.084 62.100 -0.049 0.000 1.019 266 T CB 1.499 70.342 68.868 -0.042 0.000 1.061 266 T HN 0.433 nan 8.240 nan 0.000 0.518 267 K N 0.920 121.267 120.400 -0.089 0.000 2.103 267 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 267 K C 2.463 179.004 176.600 -0.098 0.000 1.048 267 K CA 1.509 57.735 56.287 -0.101 0.000 0.930 267 K CB -0.821 31.608 32.500 -0.117 0.000 0.716 267 K HN 0.823 nan 8.250 nan 0.000 0.444 268 G N 1.590 110.341 108.800 -0.083 0.000 2.422 268 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 268 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 268 G C 1.150 176.000 174.900 -0.083 0.000 1.146 268 G CA 0.545 45.601 45.100 -0.073 0.000 0.769 268 G HN 0.361 nan 8.290 nan 0.000 0.547 269 E N -0.253 119.893 120.200 -0.090 0.000 2.427 269 E HA -0.003 4.346 4.350 -0.000 0.000 0.196 269 E C 1.725 178.224 176.600 -0.168 0.000 1.028 269 E CA 1.119 57.457 56.400 -0.104 0.000 0.864 269 E CB 0.161 29.811 29.700 -0.083 0.000 0.813 269 E HN 0.550 nan 8.360 nan 0.000 0.514 270 T N -2.893 111.541 114.554 -0.200 0.000 3.288 270 T HA 0.292 4.641 4.350 -0.000 0.000 0.293 270 T C 1.299 175.874 174.700 -0.209 0.000 1.008 270 T CA -0.401 61.510 62.100 -0.315 0.000 0.929 270 T CB -0.211 68.360 68.868 -0.494 0.000 1.152 270 T HN -0.046 nan 8.240 nan 0.000 0.517 271 I N 1.843 122.329 120.570 -0.139 0.000 2.127 271 I HA -0.076 4.094 4.170 -0.000 0.000 0.241 271 I C 2.896 178.962 176.117 -0.086 0.000 1.075 271 I CA 1.890 63.133 61.300 -0.096 0.000 1.334 271 I CB -0.580 37.372 38.000 -0.079 0.000 1.040 271 I HN 0.520 nan 8.210 nan 0.000 0.405 272 G N 0.052 108.794 108.800 -0.097 0.000 2.446 272 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 272 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 272 G C 1.465 176.326 174.900 -0.065 0.000 1.168 272 G CA 0.907 45.959 45.100 -0.080 0.000 0.771 272 G HN 0.335 nan 8.290 nan 0.000 0.551 273 E N -0.338 119.801 120.200 -0.102 0.000 2.077 273 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 273 E C 2.346 178.961 176.600 0.025 0.000 0.989 273 E CA 0.885 57.249 56.400 -0.058 0.000 0.800 273 E CB -0.335 29.209 29.700 -0.261 0.000 0.746 273 E HN 0.511 nan 8.360 nan 0.000 0.452 274 M N 0.075 119.668 119.600 -0.012 0.000 2.108 274 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 274 M C 1.880 178.201 176.300 0.035 0.000 1.066 274 M CA 1.673 56.994 55.300 0.034 0.000 1.107 274 M CB -0.081 32.520 32.600 0.001 0.000 1.356 274 M HN 0.119 nan 8.290 nan 0.000 0.406 275 I N 0.521 121.099 120.570 0.013 0.000 2.202 275 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 275 I C 2.743 178.872 176.117 0.019 0.000 1.091 275 I CA 1.146 62.456 61.300 0.016 0.000 1.368 275 I CB -0.679 37.322 38.000 0.001 0.000 1.058 275 I HN 0.406 nan 8.210 nan 0.000 0.410 276 A N 1.192 124.023 122.820 0.018 0.000 1.883 276 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 276 A C 2.293 179.909 177.584 0.054 0.000 1.186 276 A CA 1.751 53.800 52.037 0.022 0.000 0.624 276 A CB -0.941 18.068 19.000 0.014 0.000 0.822 276 A HN 0.395 nan 8.150 nan 0.000 0.444 277 I N -0.145 120.483 120.570 0.096 0.000 2.226 277 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 277 I C 2.681 178.835 176.117 0.062 0.000 1.100 277 I CA 1.444 62.831 61.300 0.146 0.000 1.374 277 I CB -0.371 37.760 38.000 0.218 0.000 1.057 277 I HN 0.235 nan 8.210 nan 0.000 0.413 278 S N 0.939 116.647 115.700 0.013 0.000 2.356 278 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 278 S C 1.764 176.341 174.600 -0.038 0.000 1.032 278 S CA 1.463 59.636 58.200 -0.045 0.000 1.005 278 S CB -0.476 62.706 63.200 -0.029 0.000 0.867 278 S HN 0.419 nan 8.310 nan 0.000 0.449 279 N N 1.432 120.126 118.700 -0.010 0.000 2.018 279 N HA -0.112 4.628 4.740 -0.000 0.000 0.196 279 N C 1.907 177.396 175.510 -0.035 0.000 1.043 279 N CA 1.202 54.240 53.050 -0.019 0.000 0.856 279 N CB -0.561 37.924 38.487 -0.003 0.000 1.042 279 N HN 0.258 nan 8.380 nan 0.000 0.423 280 Q N -0.146 119.657 119.800 0.006 0.000 2.061 280 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 280 Q C 2.063 178.047 176.000 -0.027 0.000 0.984 280 Q CA 0.986 56.808 55.803 0.031 0.000 0.846 280 Q CB -0.745 28.071 28.738 0.130 0.000 0.902 280 Q HN 0.433 nan 8.270 nan 0.000 0.421 281 F N 0.935 120.705 119.950 -0.300 0.000 2.069 281 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 281 F C 2.079 177.636 175.800 -0.405 0.000 1.113 281 F CA 1.370 59.012 58.000 -0.596 0.000 1.214 281 F CB -0.345 38.153 39.000 -0.837 0.000 0.978 281 F HN 0.013 nan 8.300 nan 0.000 0.474 282 L N -0.265 120.772 121.223 -0.310 0.000 2.131 282 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 282 L C 2.605 179.267 176.870 -0.346 0.000 1.092 282 L CA 1.217 55.796 54.840 -0.435 0.000 0.759 282 L CB -0.515 41.295 42.059 -0.415 0.000 0.903 282 L HN 0.091 nan 8.230 nan 0.000 0.435 283 R N -0.278 120.084 120.500 -0.229 0.000 2.073 283 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 283 R C 2.180 178.379 176.300 -0.168 0.000 1.120 283 R CA 1.048 57.054 56.100 -0.157 0.000 0.967 283 R CB -0.090 30.157 30.300 -0.088 0.000 0.862 283 R HN 0.367 nan 8.270 nan 0.000 0.436 284 E N 0.468 120.552 120.200 -0.194 0.000 2.110 284 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 284 E C 1.847 178.298 176.600 -0.249 0.000 0.988 284 E CA 0.917 57.213 56.400 -0.172 0.000 0.804 284 E CB -0.039 29.594 29.700 -0.111 0.000 0.745 284 E HN 0.089 nan 8.360 nan 0.000 0.458 285 L N 1.123 122.097 121.223 -0.416 0.000 2.017 285 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 285 L C 2.282 179.007 176.870 -0.242 0.000 1.073 285 L CA 2.212 56.810 54.840 -0.403 0.000 0.745 285 L CB -0.654 41.050 42.059 -0.591 0.000 0.894 285 L HN 0.042 nan 8.230 nan 0.000 0.432 286 S N -2.747 112.820 115.700 -0.223 0.000 2.447 286 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 286 S C 1.796 176.336 174.600 -0.099 0.000 1.006 286 S CA 1.328 59.443 58.200 -0.142 0.000 0.957 286 S CB -1.082 62.042 63.200 -0.126 0.000 0.773 286 S HN 0.530 nan 8.310 nan 0.000 0.507 287 T N 3.090 117.583 114.554 -0.102 0.000 2.770 287 T HA 0.163 4.513 4.350 -0.000 0.000 0.263 287 T C 1.679 176.342 174.700 -0.062 0.000 1.039 287 T CA 1.134 63.193 62.100 -0.070 0.000 1.142 287 T CB -0.512 68.319 68.868 -0.061 0.000 0.868 287 T HN 0.299 nan 8.240 nan 0.000 0.435 288 L N 0.576 121.752 121.223 -0.078 0.000 2.127 288 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 288 L C 2.277 179.117 176.870 -0.050 0.000 1.089 288 L CA 1.098 55.901 54.840 -0.062 0.000 0.757 288 L CB -0.536 41.477 42.059 -0.077 0.000 0.899 288 L HN 0.284 nan 8.230 nan 0.000 0.434 289 L N -0.833 120.356 121.223 -0.057 0.000 2.249 289 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 289 L C 2.598 179.451 176.870 -0.028 0.000 1.090 289 L CA 0.661 55.478 54.840 -0.039 0.000 0.802 289 L CB -0.415 41.620 42.059 -0.041 0.000 0.947 289 L HN 0.193 nan 8.230 nan 0.000 0.453 290 K N 0.523 120.902 120.400 -0.034 0.000 2.057 290 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 290 K C 2.022 178.610 176.600 -0.020 0.000 1.050 290 K CA 1.364 57.636 56.287 -0.025 0.000 0.935 290 K CB 0.061 32.544 32.500 -0.028 0.000 0.715 290 K HN 0.347 nan 8.250 nan 0.000 0.439 291 Q N -0.103 119.683 119.800 -0.023 0.000 2.297 291 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 291 Q C 0.874 176.866 176.000 -0.014 0.000 0.962 291 Q CA 0.537 56.329 55.803 -0.017 0.000 0.879 291 Q CB 0.126 28.853 28.738 -0.019 0.000 0.947 291 Q HN 0.549 nan 8.270 nan 0.000 0.462 292 G N 0.308 109.099 108.800 -0.015 0.000 2.645 292 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.239 292 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.239 292 G C 0.335 175.229 174.900 -0.009 0.000 1.331 292 G CA -0.145 44.949 45.100 -0.010 0.000 0.890 292 G HN 0.393 nan 8.290 nan 0.000 0.572 293 A N -0.056 122.762 122.820 -0.005 0.000 2.251 293 A HA 0.634 4.954 4.320 -0.000 0.000 0.209 293 A C 2.354 179.936 177.584 -0.003 0.000 1.187 293 A CA 1.776 53.811 52.037 -0.003 0.000 0.823 293 A CB -0.894 18.107 19.000 0.000 0.000 0.846 293 A HN 2.945 nan 8.150 nan 0.000 0.486 294 G N -0.489 108.308 108.800 -0.004 0.000 2.752 294 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.234 294 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.234 294 G C 0.180 175.079 174.900 -0.002 0.000 1.367 294 G CA -0.051 45.047 45.100 -0.004 0.000 0.879 294 G HN 1.508 nan 8.290 nan 0.000 0.563 295 T N -1.938 112.614 114.554 -0.002 0.000 2.814 295 T HA 0.513 4.863 4.350 -0.000 0.000 0.297 295 T C 0.714 175.413 174.700 -0.001 0.000 0.956 295 T CA 0.716 62.815 62.100 -0.002 0.000 1.123 295 T CB 1.350 70.217 68.868 -0.002 0.000 0.902 295 T HN 1.526 nan 8.240 nan 0.000 0.528 296 K N 1.987 122.386 120.400 -0.001 0.000 3.077 296 K HA -0.233 4.087 4.320 -0.000 0.000 0.264 296 K C 1.096 177.695 176.600 -0.001 0.000 1.008 296 K CA 0.706 56.993 56.287 -0.001 0.000 0.740 296 K CB -1.706 30.793 32.500 -0.001 0.000 1.273 296 K HN 1.664 nan 8.250 nan 0.000 0.477 297 G N -0.128 108.671 108.800 -0.001 0.000 2.203 297 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.263 297 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.263 297 G C 0.192 175.090 174.900 -0.003 0.000 1.012 297 G CA 0.861 45.960 45.100 -0.001 0.000 0.749 297 G HN 1.040 nan 8.290 nan 0.000 0.512 298 S N -1.446 114.253 115.700 -0.003 0.000 2.967 298 S HA 0.273 4.743 4.470 -0.000 0.000 0.254 298 S C 0.798 175.396 174.600 -0.003 0.000 1.089 298 S CA 0.540 58.738 58.200 -0.003 0.000 1.183 298 S CB -0.270 62.928 63.200 -0.002 0.000 0.848 298 S HN 0.611 nan 8.310 nan 0.000 0.477 299 N N -0.476 118.222 118.700 -0.003 0.000 2.082 299 N HA 0.208 4.948 4.740 -0.000 0.000 0.228 299 N C 0.992 176.500 175.510 -0.003 0.000 1.341 299 N CA -0.199 52.849 53.050 -0.004 0.000 0.873 299 N CB 0.332 38.815 38.487 -0.006 0.000 1.137 299 N HN 0.103 nan 8.380 nan 0.000 0.505 300 K N 1.431 121.830 120.400 -0.002 0.000 2.057 300 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 300 K C 1.537 178.138 176.600 0.002 0.000 1.049 300 K CA 1.268 57.554 56.287 -0.001 0.000 0.931 300 K CB 0.102 32.599 32.500 -0.004 0.000 0.714 300 K HN -0.010 nan 8.250 nan 0.000 0.440 301 K N 0.740 121.140 120.400 0.000 0.000 2.074 301 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 301 K C 1.824 178.428 176.600 0.007 0.000 1.048 301 K CA 1.384 57.673 56.287 0.003 0.000 0.926 301 K CB 0.002 32.502 32.500 0.001 0.000 0.713 301 K HN -0.007 nan 8.250 nan 0.000 0.444 302 K N 0.314 120.716 120.400 0.004 0.000 2.097 302 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 302 K C 2.147 178.752 176.600 0.007 0.000 1.050 302 K CA 0.933 57.222 56.287 0.004 0.000 0.938 302 K CB -0.281 32.217 32.500 -0.003 0.000 0.718 302 K HN 0.127 nan 8.250 nan 0.000 0.442 303 L N 1.106 122.333 121.223 0.006 0.000 2.044 303 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 303 L C 2.168 179.057 176.870 0.031 0.000 1.075 303 L CA 1.136 55.982 54.840 0.009 0.000 0.747 303 L CB -0.240 41.821 42.059 0.004 0.000 0.903 303 L HN 0.032 nan 8.230 nan 0.000 0.435 304 L N -1.209 120.031 121.223 0.029 0.000 2.083 304 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 304 L C 2.747 179.646 176.870 0.049 0.000 1.083 304 L CA 1.341 56.204 54.840 0.038 0.000 0.752 304 L CB -0.975 41.097 42.059 0.022 0.000 0.899 304 L HN 0.367 nan 8.230 nan 0.000 0.433 305 S N -0.007 115.716 115.700 0.038 0.000 2.359 305 S HA -0.296 4.174 4.470 -0.000 0.000 0.223 305 S C 2.071 176.709 174.600 0.064 0.000 1.039 305 S CA 1.866 60.089 58.200 0.040 0.000 1.042 305 S CB -0.199 63.016 63.200 0.025 0.000 0.915 305 S HN 0.353 nan 8.310 nan 0.000 0.439 306 M N 0.471 120.119 119.600 0.081 0.000 2.059 306 M HA -0.076 4.404 4.480 -0.000 0.000 0.259 306 M C 2.129 178.578 176.300 0.247 0.000 1.072 306 M CA 1.708 57.099 55.300 0.152 0.000 1.117 306 M CB -0.530 32.137 32.600 0.112 0.000 1.320 306 M HN 0.416 nan 8.290 nan 0.000 0.408 307 L N -0.317 121.025 121.223 0.199 0.000 2.079 307 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 307 L C 2.451 179.453 176.870 0.220 0.000 1.081 307 L CA 1.360 56.339 54.840 0.231 0.000 0.752 307 L CB -0.612 41.542 42.059 0.158 0.000 0.896 307 L HN 0.340 nan 8.230 nan 0.000 0.433 308 S N -0.722 115.079 115.700 0.168 0.000 2.383 308 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 308 S C 1.501 176.244 174.600 0.240 0.000 1.026 308 S CA 1.111 59.418 58.200 0.178 0.000 0.981 308 S CB -0.214 63.044 63.200 0.095 0.000 0.818 308 S HN 0.433 nan 8.310 nan 0.000 0.472 309 D N 0.186 120.664 120.400 0.131 0.000 2.178 309 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 309 D C 0.426 176.639 176.300 -0.145 0.000 0.974 309 D CA 0.991 54.996 54.000 0.009 0.000 0.841 309 D CB -0.106 40.602 40.800 -0.154 0.000 0.953 309 D HN 0.502 nan 8.370 nan 0.000 0.478 310 Y N 0.714 121.016 120.300 0.003 0.000 2.683 310 Y HA 0.070 4.620 4.550 -0.000 0.000 0.297 310 Y C 1.631 177.259 175.900 -0.452 0.000 1.147 310 Y CA -0.983 56.883 58.100 -0.390 0.000 1.274 310 Y CB -0.388 37.974 38.460 -0.164 0.000 1.143 310 Y HN 0.115 nan 8.280 nan 0.000 0.527 311 W N 0.370 121.615 121.300 -0.092 0.000 2.321 311 W HA -0.355 4.305 4.660 -0.000 0.000 0.306 311 W C 1.246 177.739 176.519 -0.043 0.000 1.217 311 W CA 1.782 59.112 57.345 -0.024 0.000 1.257 311 W CB -1.628 27.851 29.460 0.031 0.000 1.145 311 W HN 0.486 nan 8.180 nan 0.000 0.509 312 Y N 0.278 119.892 120.300 -1.143 0.000 2.483 312 Y HA 0.027 4.577 4.550 -0.000 0.000 0.291 312 Y C 2.312 177.929 175.900 -0.471 0.000 1.143 312 Y CA 1.068 58.437 58.100 -1.219 0.000 1.289 312 Y CB -1.502 36.083 38.460 -1.457 0.000 0.983 312 Y HN -0.081 nan 8.280 nan 0.000 0.556 313 L N 0.745 121.617 121.223 -0.585 0.000 2.456 313 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 313 L C 1.801 178.625 176.870 -0.077 0.000 1.148 313 L CA 1.330 55.980 54.840 -0.317 0.000 0.825 313 L CB -0.449 41.339 42.059 -0.452 0.000 0.937 313 L HN 0.514 nan 8.230 nan 0.000 0.450 314 S N -2.656 113.047 115.700 0.004 0.000 2.602 314 S HA 0.110 4.580 4.470 -0.000 0.000 0.240 314 S C 0.048 174.834 174.600 0.311 0.000 0.992 314 S CA -0.747 57.571 58.200 0.196 0.000 0.971 314 S CB -0.067 63.235 63.200 0.171 0.000 0.855 314 S HN 0.279 nan 8.310 nan 0.000 0.481 315 C N 2.073 121.447 119.300 0.124 0.000 2.346 315 C HA 0.829 5.288 4.460 -0.000 0.000 0.326 315 C C 0.808 175.586 174.990 -0.353 0.000 1.224 315 C CA -0.233 58.825 59.018 0.067 0.000 1.408 315 C CB -0.033 27.804 27.740 0.162 0.000 2.089 315 C HN 0.663 nan 8.230 nan 0.000 0.456 316 G N 5.053 113.369 108.800 -0.807 0.000 2.437 316 G HA2 0.603 4.562 3.960 -0.000 0.000 0.319 316 G HA3 0.603 4.562 3.960 -0.000 0.000 0.319 316 G C -0.854 173.615 174.900 -0.717 0.000 1.158 316 G CA -0.616 43.611 45.100 -1.455 0.000 0.899 316 G HN 0.867 nan 8.290 nan 0.000 0.502 317 L N 0.875 121.732 121.223 -0.609 0.000 2.292 317 L HA 0.287 4.627 4.340 -0.000 0.000 0.284 317 L C 0.460 177.186 176.870 -0.239 0.000 1.065 317 L CA -0.622 53.923 54.840 -0.490 0.000 0.806 317 L CB 1.570 43.120 42.059 -0.848 0.000 1.175 317 L HN 0.251 nan 8.230 nan 0.000 0.431 318 L N 4.437 125.683 121.223 0.039 0.000 2.382 318 L HA 0.127 4.467 4.340 -0.000 0.000 0.259 318 L C -0.138 176.948 176.870 0.360 0.000 1.291 318 L CA -0.128 54.842 54.840 0.217 0.000 1.176 318 L CB -0.302 41.897 42.059 0.234 0.000 1.373 318 L HN 0.459 nan 8.230 nan 0.000 0.426 319 F N 6.612 126.649 119.950 0.144 0.000 2.504 319 F HA 0.279 4.805 4.527 -0.000 0.000 0.369 319 F C -1.736 174.121 175.800 0.095 0.000 1.082 319 F CA -2.117 55.987 58.000 0.172 0.000 1.216 319 F CB 0.642 39.687 39.000 0.075 0.000 1.108 319 F HN 0.242 nan 8.300 nan 0.000 0.554 320 P HA 0.067 nan 4.420 nan 0.000 0.281 320 P C -1.177 175.783 177.300 -0.566 0.000 1.286 320 P CA -0.357 62.461 63.100 -0.470 0.000 0.772 320 P CB 0.878 32.266 31.700 -0.519 0.000 0.862 321 K N 3.167 123.510 120.400 -0.095 0.000 2.368 321 K HA 0.399 4.719 4.320 -0.000 0.000 0.282 321 K C -0.118 176.481 176.600 -0.001 0.000 1.035 321 K CA -0.459 55.883 56.287 0.091 0.000 0.973 321 K CB 0.333 32.938 32.500 0.175 0.000 0.957 321 K HN 0.460 nan 8.250 nan 0.000 0.474 322 A N 4.978 127.769 122.820 -0.048 0.000 2.309 322 A HA 0.277 4.597 4.320 -0.000 0.000 0.290 322 A C -0.620 176.740 177.584 -0.375 0.000 1.206 322 A CA -0.299 51.561 52.037 -0.295 0.000 0.850 322 A CB 0.122 18.913 19.000 -0.347 0.000 1.118 322 A HN 0.921 nan 8.150 nan 0.000 0.523 323 E N 1.536 121.362 120.200 -0.624 0.000 2.435 323 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 323 E C -1.122 175.202 176.600 -0.461 0.000 1.031 323 E CA -1.221 54.903 56.400 -0.460 0.000 0.872 323 E CB 0.717 30.148 29.700 -0.447 0.000 1.588 323 E HN 0.321 nan 8.360 nan 0.000 0.460 324 R N 0.965 121.376 120.500 -0.147 0.000 2.893 324 R HA 0.254 4.594 4.340 -0.000 0.000 0.243 324 R C -1.089 175.133 176.300 -0.131 0.000 1.481 324 R CA 0.007 56.083 56.100 -0.040 0.000 1.250 324 R CB -0.859 29.499 30.300 0.096 0.000 1.213 324 R HN 0.285 nan 8.270 nan 0.000 0.609 325 Y N 0.442 120.771 120.300 0.047 0.000 2.326 325 Y HA 0.058 4.608 4.550 -0.000 0.000 0.333 325 Y C 0.887 176.827 175.900 0.066 0.000 1.240 325 Y CA -0.764 57.376 58.100 0.067 0.000 1.365 325 Y CB 0.599 39.112 38.460 0.088 0.000 1.289 325 Y HN 0.488 nan 8.280 nan 0.000 0.548 326 D N -0.233 120.295 120.400 0.214 0.000 2.210 326 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 326 D C 0.148 176.486 176.300 0.063 0.000 1.062 326 D CA -0.776 53.272 54.000 0.080 0.000 0.891 326 D CB 1.349 42.174 40.800 0.042 0.000 1.186 326 D HN 0.421 nan 8.370 nan 0.000 0.432 327 K N 0.648 120.952 120.400 -0.161 0.000 2.127 327 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 327 K C 1.946 178.539 176.600 -0.011 0.000 1.047 327 K CA 1.808 57.892 56.287 -0.338 0.000 0.927 327 K CB -0.216 31.748 32.500 -0.893 0.000 0.716 327 K HN 0.601 nan 8.250 nan 0.000 0.450 328 S N 0.135 115.832 115.700 -0.004 0.000 2.442 328 S HA -0.126 4.344 4.470 -0.000 0.000 0.236 328 S C 1.706 176.363 174.600 0.095 0.000 1.007 328 S CA 1.541 59.772 58.200 0.051 0.000 0.965 328 S CB -0.428 62.787 63.200 0.025 0.000 0.773 328 S HN 0.407 nan 8.310 nan 0.000 0.504 329 T N -4.081 110.543 114.554 0.116 0.000 3.182 329 T HA 0.194 4.544 4.350 -0.000 0.000 0.277 329 T C 0.960 175.719 174.700 0.098 0.000 1.013 329 T CA -0.560 61.595 62.100 0.092 0.000 0.900 329 T CB -0.646 68.258 68.868 0.060 0.000 1.098 329 T HN 0.557 nan 8.240 nan 0.000 0.543 330 W N 1.406 122.700 121.300 -0.010 0.000 2.341 330 W HA -0.028 4.631 4.660 -0.000 0.000 0.283 330 W C 0.712 177.180 176.519 -0.086 0.000 1.215 330 W CA 0.616 57.950 57.345 -0.018 0.000 1.211 330 W CB -0.013 29.566 29.460 0.197 0.000 1.131 330 W HN 0.379 nan 8.180 nan 0.000 0.552 331 L N -0.007 121.253 121.223 0.060 0.000 2.554 331 L HA -0.022 4.318 4.340 -0.000 0.000 0.225 331 L C 2.104 178.896 176.870 -0.130 0.000 1.104 331 L CA 1.362 56.162 54.840 -0.067 0.000 0.866 331 L CB -0.373 41.692 42.059 0.010 0.000 1.047 331 L HN -0.109 nan 8.230 nan 0.000 0.468 332 T N -4.482 110.015 114.554 -0.096 0.000 2.975 332 T HA 0.111 4.461 4.350 -0.000 0.000 0.257 332 T C 0.531 175.175 174.700 -0.092 0.000 1.003 332 T CA -0.222 61.832 62.100 -0.078 0.000 0.932 332 T CB 0.525 69.383 68.868 -0.017 0.000 1.087 332 T HN -0.020 nan 8.240 nan 0.000 0.512 333 K N 1.444 121.750 120.400 -0.157 0.000 2.652 333 K HA 0.462 4.782 4.320 -0.000 0.000 0.249 333 K C -1.770 174.599 176.600 -0.384 0.000 0.986 333 K CA -0.306 55.887 56.287 -0.156 0.000 0.867 333 K CB 1.809 34.290 32.500 -0.031 0.000 1.201 333 K HN 0.039 nan 8.250 nan 0.000 0.450 334 T N 3.818 118.164 114.554 -0.345 0.000 2.949 334 T HA 0.361 4.711 4.350 -0.000 0.000 0.300 334 T C -0.515 174.133 174.700 -0.086 0.000 0.988 334 T CA -0.701 61.111 62.100 -0.480 0.000 0.993 334 T CB 1.087 69.619 68.868 -0.560 0.000 0.984 334 T HN 0.482 nan 8.240 nan 0.000 0.442 335 R N 2.525 123.116 120.500 0.152 0.000 2.590 335 R HA 0.272 4.612 4.340 -0.000 0.000 0.274 335 R C 0.018 176.394 176.300 0.127 0.000 1.061 335 R CA 0.008 56.205 56.100 0.161 0.000 1.081 335 R CB 0.400 30.818 30.300 0.197 0.000 0.984 335 R HN 0.607 nan 8.270 nan 0.000 0.448 336 N N 1.798 120.583 118.700 0.140 0.000 2.361 336 N HA 0.368 5.108 4.740 -0.000 0.000 0.302 336 N C -0.884 174.768 175.510 0.237 0.000 1.074 336 N CA -0.587 52.566 53.050 0.173 0.000 0.850 336 N CB 1.788 40.383 38.487 0.180 0.000 1.228 336 N HN 0.274 nan 8.380 nan 0.000 0.491 337 I N 1.397 122.149 120.570 0.303 0.000 2.339 337 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 337 I C -0.739 175.571 176.117 0.322 0.000 0.994 337 I CA -0.605 60.886 61.300 0.318 0.000 1.191 337 I CB 1.103 39.297 38.000 0.324 0.000 1.343 337 I HN 0.519 nan 8.210 nan 0.000 0.458 338 W N 7.009 128.386 121.300 0.128 0.000 2.430 338 W HA 0.196 4.856 4.660 -0.000 0.000 0.380 338 W C 0.192 176.750 176.519 0.065 0.000 1.045 338 W CA -0.201 57.204 57.345 0.100 0.000 1.547 338 W CB 0.625 30.143 29.460 0.097 0.000 1.554 338 W HN 0.393 nan 8.180 nan 0.000 0.378 339 S N 5.213 120.814 115.700 -0.164 0.000 2.686 339 S HA 0.335 4.805 4.470 -0.000 0.000 0.324 339 S C 0.598 174.968 174.600 -0.384 0.000 1.172 339 S CA -0.384 57.686 58.200 -0.217 0.000 1.127 339 S CB -0.274 62.769 63.200 -0.261 0.000 1.338 339 S HN 0.587 nan 8.310 nan 0.000 0.547 340 A N 5.646 128.370 122.820 -0.160 0.000 2.498 340 A HA 0.367 4.686 4.320 -0.000 0.000 0.239 340 A C -2.230 175.295 177.584 -0.098 0.000 1.068 340 A CA -1.109 50.859 52.037 -0.116 0.000 0.766 340 A CB -0.334 18.868 19.000 0.336 0.000 1.003 340 A HN 0.387 nan 8.150 nan 0.000 0.497 341 P HA 0.058 nan 4.420 nan 0.000 0.268 341 P C 1.002 178.325 177.300 0.038 0.000 1.205 341 P CA 0.447 63.523 63.100 -0.040 0.000 0.771 341 P CB 0.754 32.441 31.700 -0.021 0.000 0.858 342 S N 4.212 119.936 115.700 0.040 0.000 2.374 342 S HA -0.141 4.328 4.470 -0.000 0.000 0.227 342 S C -0.912 173.742 174.600 0.090 0.000 1.037 342 S CA 1.523 59.753 58.200 0.050 0.000 1.024 342 S CB -2.428 60.780 63.200 0.013 0.000 0.861 342 S HN 0.372 nan 8.310 nan 0.000 0.456 343 P HA -0.020 nan 4.420 nan 0.000 0.215 343 P C 1.524 178.831 177.300 0.011 0.000 1.153 343 P CA 1.544 64.660 63.100 0.026 0.000 0.853 343 P CB -0.470 31.223 31.700 -0.011 0.000 0.788 344 T N -2.022 112.545 114.554 0.021 0.000 2.746 344 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 344 T C 1.701 176.507 174.700 0.177 0.000 1.039 344 T CA 1.612 63.756 62.100 0.073 0.000 1.142 344 T CB -1.022 67.891 68.868 0.075 0.000 0.866 344 T HN 0.287 nan 8.240 nan 0.000 0.444 345 H N 0.771 119.899 119.070 0.097 0.000 2.293 345 H HA -0.031 4.525 4.556 -0.000 0.000 0.300 345 H C 2.181 177.580 175.328 0.118 0.000 1.082 345 H CA 1.532 57.648 56.048 0.113 0.000 1.308 345 H CB -0.427 29.381 29.762 0.076 0.000 1.375 345 H HN 0.175 nan 8.280 nan 0.000 0.495 346 L N 0.144 121.529 121.223 0.269 0.000 2.013 346 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 346 L C 2.217 179.196 176.870 0.182 0.000 1.073 346 L CA 1.999 56.959 54.840 0.201 0.000 0.753 346 L CB -0.549 41.593 42.059 0.139 0.000 0.890 346 L HN 0.468 nan 8.230 nan 0.000 0.432 347 M N -1.281 118.418 119.600 0.165 0.000 2.156 347 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 347 M C 2.258 178.804 176.300 0.411 0.000 1.067 347 M CA 1.782 57.212 55.300 0.216 0.000 1.131 347 M CB -0.328 32.183 32.600 -0.149 0.000 1.368 347 M HN 0.279 nan 8.290 nan 0.000 0.416 348 I N -0.016 120.767 120.570 0.354 0.000 2.252 348 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 348 I C 2.552 178.783 176.117 0.189 0.000 1.102 348 I CA 1.529 63.006 61.300 0.295 0.000 1.385 348 I CB -0.438 37.656 38.000 0.156 0.000 1.064 348 I HN 0.337 nan 8.210 nan 0.000 0.414 349 S N 0.289 116.044 115.700 0.093 0.000 2.474 349 S HA -0.081 4.388 4.470 -0.000 0.000 0.235 349 S C 1.948 176.700 174.600 0.254 0.000 0.997 349 S CA 0.639 58.911 58.200 0.120 0.000 0.949 349 S CB -0.358 62.834 63.200 -0.013 0.000 0.766 349 S HN 0.374 nan 8.310 nan 0.000 0.517 350 M N 0.569 120.310 119.600 0.236 0.000 2.319 350 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 350 M C 1.681 178.064 176.300 0.138 0.000 1.068 350 M CA 1.263 56.687 55.300 0.206 0.000 1.118 350 M CB -0.374 32.295 32.600 0.115 0.000 1.395 350 M HN 0.386 nan 8.290 nan 0.000 0.435 351 I N -1.726 118.926 120.570 0.137 0.000 2.480 351 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 351 I C 2.282 178.644 176.117 0.409 0.000 1.124 351 I CA 0.928 62.302 61.300 0.123 0.000 1.444 351 I CB -0.359 37.707 38.000 0.110 0.000 1.098 351 I HN 0.154 nan 8.210 nan 0.000 0.428 352 T N -0.818 113.913 114.554 0.296 0.000 2.953 352 T HA -0.100 4.250 4.350 -0.000 0.000 0.247 352 T C 1.396 176.219 174.700 0.205 0.000 1.029 352 T CA 0.669 62.905 62.100 0.228 0.000 1.144 352 T CB -0.121 68.849 68.868 0.170 0.000 0.870 352 T HN 0.451 nan 8.240 nan 0.000 0.446 353 W N 2.550 123.898 121.300 0.080 0.000 2.407 353 W HA 0.053 4.713 4.660 -0.000 0.000 0.305 353 W C -1.556 174.914 176.519 -0.082 0.000 1.196 353 W CA 0.769 58.131 57.345 0.028 0.000 1.311 353 W CB -1.026 28.479 29.460 0.075 0.000 1.135 353 W HN 0.240 nan 8.180 nan 0.000 0.514 354 P HA -0.204 nan 4.420 nan 0.000 0.218 354 P C 1.674 178.462 177.300 -0.853 0.000 1.148 354 P CA 1.946 64.620 63.100 -0.709 0.000 0.822 354 P CB -0.142 31.239 31.700 -0.532 0.000 0.784 355 V N -1.243 118.303 119.914 -0.614 0.000 2.346 355 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 355 V C 2.340 178.177 176.094 -0.428 0.000 1.037 355 V CA 1.570 63.521 62.300 -0.581 0.000 1.029 355 V CB -0.924 30.604 31.823 -0.491 0.000 0.663 355 V HN 0.075 nan 8.190 nan 0.000 0.454 356 M N 0.818 120.213 119.600 -0.341 0.000 2.254 356 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 356 M C 2.321 178.485 176.300 -0.226 0.000 1.066 356 M CA 1.827 56.992 55.300 -0.225 0.000 1.123 356 M CB -1.155 31.370 32.600 -0.126 0.000 1.388 356 M HN 0.592 nan 8.290 nan 0.000 0.425 357 S N -0.789 114.566 115.700 -0.575 0.000 2.607 357 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 357 S C 1.146 175.464 174.600 -0.470 0.000 0.969 357 S CA 0.431 58.255 58.200 -0.626 0.000 0.927 357 S CB -0.532 61.859 63.200 -1.348 0.000 0.772 357 S HN 0.551 nan 8.310 nan 0.000 0.533 358 N N 0.196 118.649 118.700 -0.413 0.000 2.241 358 N HA 0.197 4.937 4.740 -0.000 0.000 0.238 358 N C -1.069 174.319 175.510 -0.203 0.000 1.244 358 N CA -0.031 52.822 53.050 -0.327 0.000 0.880 358 N CB 0.765 38.989 38.487 -0.437 0.000 1.179 358 N HN 0.177 nan 8.380 nan 0.000 0.513 359 S N 1.840 117.472 115.700 -0.113 0.000 2.112 359 S HA 0.281 4.751 4.470 -0.000 0.000 0.151 359 S C -2.622 172.039 174.600 0.102 0.000 1.723 359 S CA -0.711 57.474 58.200 -0.026 0.000 1.263 359 S CB 1.552 64.721 63.200 -0.052 0.000 1.194 359 S HN 0.176 nan 8.310 nan 0.000 0.419 360 P HA 0.242 nan 4.420 nan 0.000 0.220 360 P C -1.016 176.327 177.300 0.072 0.000 1.806 360 P CA -0.397 62.721 63.100 0.030 0.000 0.976 360 P CB -0.380 31.301 31.700 -0.033 0.000 1.952 361 N N 2.805 121.590 118.700 0.142 0.000 2.501 361 N HA 0.186 4.926 4.740 -0.000 0.000 0.245 361 N C 0.063 175.669 175.510 0.160 0.000 0.974 361 N CA -0.248 52.873 53.050 0.118 0.000 0.941 361 N CB 1.276 39.816 38.487 0.088 0.000 1.122 361 N HN 0.340 nan 8.380 nan 0.000 0.507 362 N N -1.217 117.562 118.700 0.132 0.000 3.343 362 N HA 0.176 4.916 4.740 -0.000 0.000 0.330 362 N C 0.470 176.032 175.510 0.087 0.000 1.560 362 N CA -0.904 52.230 53.050 0.141 0.000 0.752 362 N CB 0.302 38.894 38.487 0.175 0.000 1.863 362 N HN -0.046 nan 8.380 nan 0.000 0.636 363 V N -0.157 119.781 119.914 0.041 0.000 2.568 363 V HA -0.022 4.098 4.120 -0.000 0.000 0.253 363 V C 1.405 177.509 176.094 0.017 0.000 1.072 363 V CA 1.549 63.835 62.300 -0.023 0.000 1.084 363 V CB -0.886 30.800 31.823 -0.228 0.000 0.676 363 V HN 0.536 nan 8.190 nan 0.000 0.469 364 L N 1.145 122.396 121.223 0.046 0.000 2.554 364 L HA 0.100 4.440 4.340 -0.000 0.000 0.226 364 L C 1.532 178.443 176.870 0.067 0.000 1.137 364 L CA 1.038 55.919 54.840 0.068 0.000 0.863 364 L CB -0.377 41.739 42.059 0.095 0.000 0.985 364 L HN 0.650 nan 8.230 nan 0.000 0.451 365 N N -0.617 118.121 118.700 0.065 0.000 2.036 365 N HA 0.146 4.886 4.740 -0.000 0.000 0.228 365 N C -0.147 175.398 175.510 0.058 0.000 1.368 365 N CA -0.106 52.978 53.050 0.056 0.000 0.846 365 N CB 0.607 39.121 38.487 0.044 0.000 1.145 365 N HN 0.100 nan 8.380 nan 0.000 0.502 366 I N 1.196 121.807 120.570 0.068 0.000 2.478 366 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 366 I C 0.079 176.247 176.117 0.085 0.000 1.042 366 I CA -0.864 60.478 61.300 0.070 0.000 1.067 366 I CB 1.941 39.982 38.000 0.069 0.000 1.233 366 I HN 0.114 nan 8.210 nan 0.000 0.431 367 E N 3.750 124.002 120.200 0.086 0.000 2.384 367 E HA 0.462 4.812 4.350 -0.000 0.000 0.266 367 E C 1.140 177.804 176.600 0.107 0.000 1.012 367 E CA 0.265 56.728 56.400 0.104 0.000 0.901 367 E CB 0.699 30.453 29.700 0.090 0.000 0.967 367 E HN 1.127 nan 8.360 nan 0.000 0.435 368 G N 0.389 109.271 108.800 0.137 0.000 2.299 368 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.237 368 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.237 368 G C 1.091 176.074 174.900 0.139 0.000 1.027 368 G CA 0.512 45.693 45.100 0.136 0.000 0.619 368 G HN 1.689 nan 8.290 nan 0.000 0.513 369 C N 4.048 123.419 119.300 0.119 0.000 2.627 369 C HA 0.564 5.024 4.460 -0.000 0.000 0.404 369 C C 0.284 175.330 174.990 0.094 0.000 1.340 369 C CA -0.571 58.510 59.018 0.104 0.000 1.758 369 C CB 0.671 28.467 27.740 0.092 0.000 2.501 369 C HN 0.422 nan 8.230 nan 0.000 0.588 370 P HA 0.028 nan 4.420 nan 0.000 0.245 370 P C 0.518 177.855 177.300 0.061 0.000 1.203 370 P CA 0.434 63.574 63.100 0.067 0.000 0.792 370 P CB -0.025 31.737 31.700 0.103 0.000 0.997 371 S N 0.382 116.164 115.700 0.137 0.000 2.549 371 S HA 0.116 4.586 4.470 -0.000 0.000 0.286 371 S C 0.811 175.550 174.600 0.231 0.000 1.314 371 S CA -0.218 58.135 58.200 0.256 0.000 1.062 371 S CB -0.260 63.102 63.200 0.269 0.000 0.865 371 S HN 0.011 nan 8.310 nan 0.000 0.498 372 L N 4.839 126.282 121.223 0.367 0.000 2.965 372 L HA 0.288 4.628 4.340 -0.000 0.000 0.254 372 L C -0.197 177.055 176.870 0.637 0.000 1.220 372 L CA -0.421 54.623 54.840 0.340 0.000 1.023 372 L CB -0.124 42.039 42.059 0.173 0.000 1.355 372 L HN 0.706 nan 8.230 nan 0.000 0.545 373 Y N 2.010 122.611 120.300 0.502 0.000 2.717 373 Y HA -0.095 4.454 4.550 -0.000 0.000 0.330 373 Y C 1.236 177.323 175.900 0.312 0.000 1.217 373 Y CA -0.022 58.350 58.100 0.455 0.000 1.506 373 Y CB 0.192 38.780 38.460 0.213 0.000 1.268 373 Y HN 0.134 nan 8.280 nan 0.000 0.561 374 K N 3.797 124.013 120.400 -0.306 0.000 3.020 374 K HA -0.312 4.008 4.320 -0.000 0.000 0.266 374 K C -0.294 176.277 176.600 -0.049 0.000 1.067 374 K CA 0.785 56.885 56.287 -0.312 0.000 0.780 374 K CB -1.777 30.413 32.500 -0.516 0.000 1.220 374 K HN 0.532 nan 8.250 nan 0.000 0.483 375 F N 1.822 121.741 119.950 -0.053 0.000 2.529 375 F HA 0.192 4.719 4.527 -0.000 0.000 0.365 375 F C 0.287 176.023 175.800 -0.106 0.000 1.102 375 F CA -0.018 57.941 58.000 -0.067 0.000 1.271 375 F CB 0.487 39.453 39.000 -0.057 0.000 1.120 375 F HN 0.090 nan 8.300 nan 0.000 0.579 376 N N 6.558 124.592 118.700 -1.110 0.000 2.352 376 N HA 0.440 5.180 4.740 -0.000 0.000 0.291 376 N C -2.203 172.431 175.510 -1.459 0.000 1.040 376 N CA -1.898 50.521 53.050 -1.052 0.000 0.864 376 N CB 2.244 40.505 38.487 -0.376 0.000 1.440 376 N HN 0.274 nan 8.380 nan 0.000 0.483 377 P HA 0.025 nan 4.420 nan 0.000 0.229 377 P C -0.285 176.526 177.300 -0.814 0.000 1.160 377 P CA 0.680 63.069 63.100 -1.185 0.000 0.777 377 P CB 0.146 30.938 31.700 -1.514 0.000 0.814 378 F N 0.287 119.976 119.950 -0.434 0.000 2.352 378 F HA 0.376 4.903 4.527 -0.000 0.000 0.304 378 F C 1.790 177.519 175.800 -0.117 0.000 1.215 378 F CA -0.578 57.311 58.000 -0.185 0.000 1.121 378 F CB -0.165 38.824 39.000 -0.019 0.000 1.329 378 F HN -0.272 nan 8.300 nan 0.000 0.528 379 R N -0.101 120.493 120.500 0.157 0.000 3.770 379 R HA -0.192 4.148 4.340 -0.000 0.000 0.305 379 R C 0.803 177.098 176.300 -0.007 0.000 1.184 379 R CA 0.785 56.894 56.100 0.015 0.000 0.823 379 R CB -2.481 27.780 30.300 -0.065 0.000 1.285 379 R HN 1.319 nan 8.270 nan 0.000 0.499 380 G N -2.278 106.527 108.800 0.008 0.000 2.141 380 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 380 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 380 G C 0.974 175.884 174.900 0.017 0.000 0.982 380 G CA 0.760 45.869 45.100 0.015 0.000 0.662 380 G HN 0.687 nan 8.290 nan 0.000 0.527 381 G N 0.187 108.963 108.800 -0.041 0.000 2.394 381 G HA2 0.138 4.098 3.960 -0.000 0.000 0.214 381 G HA3 0.138 4.098 3.960 -0.000 0.000 0.214 381 G C 1.709 176.690 174.900 0.136 0.000 1.176 381 G CA 1.487 46.567 45.100 -0.032 0.000 0.786 381 G HN 0.971 nan 8.290 nan 0.000 0.533 382 L N 0.935 122.183 121.223 0.042 0.000 2.056 382 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 382 L C 2.424 179.352 176.870 0.097 0.000 1.078 382 L CA 2.111 57.014 54.840 0.104 0.000 0.749 382 L CB -0.585 41.468 42.059 -0.010 0.000 0.901 382 L HN 0.303 nan 8.230 nan 0.000 0.433 383 N N -0.272 118.504 118.700 0.127 0.000 2.091 383 N HA -0.275 4.465 4.740 -0.000 0.000 0.193 383 N C 2.014 177.622 175.510 0.164 0.000 1.021 383 N CA 1.831 55.003 53.050 0.203 0.000 0.862 383 N CB -0.091 38.512 38.487 0.193 0.000 1.018 383 N HN 0.279 nan 8.380 nan 0.000 0.429 384 R N -0.739 119.843 120.500 0.136 0.000 2.115 384 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 384 R C 1.869 178.256 176.300 0.144 0.000 1.111 384 R CA 1.078 57.261 56.100 0.139 0.000 0.976 384 R CB -0.228 30.147 30.300 0.125 0.000 0.870 384 R HN 0.300 nan 8.270 nan 0.000 0.445 385 I N -0.176 120.446 120.570 0.087 0.000 2.353 385 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 385 I C 2.075 178.256 176.117 0.108 0.000 1.119 385 I CA 1.039 62.356 61.300 0.028 0.000 1.417 385 I CB -0.061 37.827 38.000 -0.188 0.000 1.078 385 I HN -0.101 nan 8.210 nan 0.000 0.421 386 V N 0.102 120.007 119.914 -0.015 0.000 2.343 386 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 386 V C 2.308 178.384 176.094 -0.030 0.000 1.051 386 V CA 1.750 63.956 62.300 -0.157 0.000 1.036 386 V CB -0.731 30.783 31.823 -0.515 0.000 0.654 386 V HN 0.437 nan 8.190 nan 0.000 0.451 387 E N -1.155 119.097 120.200 0.086 0.000 2.153 387 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 387 E C 1.923 178.614 176.600 0.152 0.000 0.988 387 E CA 1.603 58.081 56.400 0.131 0.000 0.811 387 E CB -0.205 29.591 29.700 0.160 0.000 0.746 387 E HN 0.809 nan 8.360 nan 0.000 0.466 388 W N 1.346 122.654 121.300 0.013 0.000 2.381 388 W HA -0.134 4.526 4.660 -0.000 0.000 0.301 388 W C 1.740 178.282 176.519 0.037 0.000 1.205 388 W CA 1.227 58.591 57.345 0.031 0.000 1.285 388 W CB -0.106 29.374 29.460 0.033 0.000 1.133 388 W HN -0.077 nan 8.180 nan 0.000 0.521 389 I N 0.455 121.158 120.570 0.221 0.000 2.202 389 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 389 I C 2.353 178.417 176.117 -0.089 0.000 1.091 389 I CA 1.330 62.655 61.300 0.042 0.000 1.368 389 I CB -0.816 37.254 38.000 0.117 0.000 1.058 389 I HN -0.035 nan 8.210 nan 0.000 0.410 390 L N 0.867 122.060 121.223 -0.050 0.000 2.191 390 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 390 L C 1.540 178.371 176.870 -0.065 0.000 1.103 390 L CA -0.079 54.735 54.840 -0.043 0.000 0.769 390 L CB -0.691 41.368 42.059 -0.001 0.000 0.908 390 L HN 0.196 nan 8.230 nan 0.000 0.438 391 A N 0.444 123.199 122.820 -0.108 0.000 2.565 391 A HA 0.080 4.400 4.320 -0.000 0.000 0.237 391 A C -1.355 176.145 177.584 -0.140 0.000 1.053 391 A CA -0.820 51.141 52.037 -0.126 0.000 0.755 391 A CB -0.184 18.706 19.000 -0.183 0.000 0.980 391 A HN 0.026 nan 8.150 nan 0.000 0.506 392 P HA -0.109 nan 4.420 nan 0.000 0.218 392 P C 0.034 177.276 177.300 -0.098 0.000 1.146 392 P CA 1.011 64.064 63.100 -0.078 0.000 0.813 392 P CB 0.034 31.702 31.700 -0.053 0.000 0.778 393 E N 0.801 120.924 120.200 -0.128 0.000 2.502 393 E HA 0.056 4.406 4.350 -0.000 0.000 0.261 393 E C 0.441 176.958 176.600 -0.139 0.000 0.974 393 E CA 0.868 57.191 56.400 -0.129 0.000 0.936 393 E CB -0.306 29.303 29.700 -0.151 0.000 0.926 393 E HN 0.413 nan 8.360 nan 0.000 0.459 394 E N 1.243 121.388 120.200 -0.091 0.000 2.401 394 E HA 0.391 4.741 4.350 -0.000 0.000 0.283 394 E C -2.768 173.785 176.600 -0.078 0.000 1.053 394 E CA -1.722 54.639 56.400 -0.064 0.000 0.842 394 E CB 0.208 29.869 29.700 -0.064 0.000 1.222 394 E HN 0.128 nan 8.360 nan 0.000 0.429 395 P HA 0.260 nan 4.420 nan 0.000 0.275 395 P C -1.381 176.071 177.300 0.254 0.000 1.228 395 P CA -0.474 62.716 63.100 0.150 0.000 0.786 395 P CB 0.476 32.372 31.700 0.326 0.000 0.927 396 K N 0.071 120.689 120.400 0.362 0.000 2.527 396 K HA 0.858 5.178 4.320 -0.000 0.000 0.260 396 K C -1.667 175.230 176.600 0.495 0.000 0.937 396 K CA -1.099 55.424 56.287 0.394 0.000 0.826 396 K CB 2.215 34.810 32.500 0.158 0.000 1.359 396 K HN 0.366 nan 8.250 nan 0.000 0.434 397 A N 2.261 125.378 122.820 0.496 0.000 2.380 397 A HA 0.783 5.103 4.320 -0.000 0.000 0.315 397 A C -1.568 176.149 177.584 0.222 0.000 1.101 397 A CA -0.827 51.371 52.037 0.268 0.000 0.771 397 A CB 1.182 20.262 19.000 0.134 0.000 1.287 397 A HN 0.471 nan 8.150 nan 0.000 0.436 398 L N 1.041 122.310 121.223 0.077 0.000 2.381 398 L HA 0.702 5.042 4.340 -0.000 0.000 0.268 398 L C -0.509 176.390 176.870 0.049 0.000 0.997 398 L CA -0.531 54.311 54.840 0.003 0.000 0.818 398 L CB 2.031 44.027 42.059 -0.105 0.000 1.310 398 L HN 0.659 nan 8.230 nan 0.000 0.416 399 V N 0.865 120.805 119.914 0.045 0.000 2.656 399 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 399 V C -1.474 174.711 176.094 0.151 0.000 1.051 399 V CA -0.911 61.366 62.300 -0.038 0.000 0.893 399 V CB 1.743 33.383 31.823 -0.304 0.000 0.999 399 V HN 0.663 nan 8.190 nan 0.000 0.426 400 Y N 3.744 124.042 120.300 -0.004 0.000 2.307 400 Y HA 0.655 5.205 4.550 -0.000 0.000 0.323 400 Y C 0.551 176.467 175.900 0.027 0.000 1.100 400 Y CA 0.412 58.630 58.100 0.198 0.000 1.140 400 Y CB 1.346 40.020 38.460 0.357 0.000 1.159 400 Y HN 1.514 nan 8.280 nan 0.000 0.436 401 A N 3.368 125.924 122.820 -0.441 0.000 5.251 401 A HA -0.380 3.940 4.320 -0.000 0.000 0.334 401 A C 1.272 178.659 177.584 -0.329 0.000 1.764 401 A CA 2.214 53.915 52.037 -0.560 0.000 0.708 401 A CB -1.699 17.073 19.000 -0.379 0.000 1.420 401 A HN 0.963 nan 8.150 nan 0.000 0.394 402 D N 1.410 121.716 120.400 -0.156 0.000 2.352 402 D HA 0.099 4.739 4.640 -0.000 0.000 0.236 402 D C -0.109 176.113 176.300 -0.130 0.000 1.148 402 D CA 0.343 54.263 54.000 -0.134 0.000 0.844 402 D CB -0.871 39.889 40.800 -0.067 0.000 0.933 402 D HN 0.528 nan 8.370 nan 0.000 0.507 403 N N 0.893 119.508 118.700 -0.141 0.000 2.372 403 N HA 0.387 5.127 4.740 -0.000 0.000 0.285 403 N C -0.676 174.606 175.510 -0.380 0.000 1.008 403 N CA -0.504 52.394 53.050 -0.254 0.000 0.880 403 N CB 2.358 40.766 38.487 -0.132 0.000 1.239 403 N HN 0.047 nan 8.380 nan 0.000 0.484 404 I N 2.628 122.882 120.570 -0.526 0.000 2.436 404 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 404 I C -1.091 174.619 176.117 -0.678 0.000 1.010 404 I CA -0.737 60.270 61.300 -0.488 0.000 1.098 404 I CB 1.038 38.796 38.000 -0.403 0.000 1.266 404 I HN 0.351 nan 8.210 nan 0.000 0.434 405 Y N 6.528 126.642 120.300 -0.311 0.000 2.335 405 Y HA 0.661 5.211 4.550 -0.000 0.000 0.338 405 Y C -0.126 175.496 175.900 -0.463 0.000 0.977 405 Y CA -0.672 57.117 58.100 -0.518 0.000 1.114 405 Y CB 1.508 39.642 38.460 -0.543 0.000 1.182 405 Y HN 0.319 nan 8.280 nan 0.000 0.463 406 I N 4.172 124.506 120.570 -0.393 0.000 2.499 406 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 406 I C -1.020 175.098 176.117 0.002 0.000 1.048 406 I CA -1.207 59.977 61.300 -0.193 0.000 1.062 406 I CB 2.062 39.813 38.000 -0.416 0.000 1.238 406 I HN 0.407 nan 8.210 nan 0.000 0.426 407 V N 5.304 125.336 119.914 0.195 0.000 2.394 407 V HA 0.610 4.730 4.120 -0.000 0.000 0.282 407 V C -1.015 175.273 176.094 0.324 0.000 1.031 407 V CA 0.116 62.587 62.300 0.286 0.000 0.881 407 V CB 1.339 33.336 31.823 0.290 0.000 0.982 407 V HN 0.837 nan 8.190 nan 0.000 0.451 408 H N 3.726 122.952 119.070 0.260 0.000 3.042 408 H HA 0.310 4.866 4.556 -0.000 0.000 0.345 408 H C -0.002 175.458 175.328 0.219 0.000 1.052 408 H CA 0.392 56.583 56.048 0.238 0.000 1.311 408 H CB 1.945 31.841 29.762 0.224 0.000 1.810 408 H HN 1.066 nan 8.280 nan 0.000 0.505 409 S N 3.812 119.562 115.700 0.083 0.000 3.550 409 S HA -0.280 4.190 4.470 -0.000 0.000 0.372 409 S C 0.776 175.456 174.600 0.133 0.000 0.966 409 S CA 1.017 59.294 58.200 0.127 0.000 1.229 409 S CB -1.512 61.845 63.200 0.261 0.000 0.917 409 S HN 0.910 nan 8.310 nan 0.000 0.496 410 N N -0.481 118.275 118.700 0.094 0.000 2.708 410 N HA -0.182 4.557 4.740 -0.000 0.000 0.249 410 N C -0.554 175.010 175.510 0.089 0.000 1.097 410 N CA 1.738 54.835 53.050 0.077 0.000 0.710 410 N CB -1.196 37.318 38.487 0.044 0.000 1.032 410 N HN 0.756 nan 8.380 nan 0.000 0.551 411 T N -0.004 114.628 114.554 0.130 0.000 2.841 411 T HA 0.296 4.645 4.350 -0.000 0.000 0.283 411 T C -0.650 174.061 174.700 0.017 0.000 1.000 411 T CA -0.680 61.422 62.100 0.003 0.000 0.977 411 T CB 1.483 70.277 68.868 -0.123 0.000 0.979 411 T HN 0.313 nan 8.240 nan 0.000 0.446 412 W N 4.736 125.892 121.300 -0.239 0.000 2.338 412 W HA 0.487 5.147 4.660 -0.000 0.000 0.307 412 W C -2.086 174.252 176.519 -0.301 0.000 1.167 412 W CA -0.908 56.361 57.345 -0.127 0.000 1.208 412 W CB 0.454 29.884 29.460 -0.050 0.000 1.228 412 W HN 0.657 nan 8.180 nan 0.000 0.499 413 Y N 3.967 123.958 120.300 -0.515 0.000 2.328 413 Y HA 0.189 4.739 4.550 -0.000 0.000 0.336 413 Y C 0.405 175.907 175.900 -0.664 0.000 0.960 413 Y CA -0.588 57.225 58.100 -0.478 0.000 1.134 413 Y CB 1.987 40.197 38.460 -0.416 0.000 1.166 413 Y HN 0.266 nan 8.280 nan 0.000 0.464 414 S N 5.188 120.724 115.700 -0.272 0.000 2.420 414 S HA 0.672 5.142 4.470 -0.000 0.000 0.313 414 S C -0.808 173.654 174.600 -0.229 0.000 1.079 414 S CA -0.378 57.685 58.200 -0.228 0.000 1.104 414 S CB -0.373 62.876 63.200 0.081 0.000 0.969 414 S HN 0.563 nan 8.310 nan 0.000 0.471 415 I N 4.057 124.403 120.570 -0.374 0.000 2.530 415 I HA 0.505 4.675 4.170 -0.000 0.000 0.297 415 I C -0.598 175.368 176.117 -0.251 0.000 1.011 415 I CA -0.750 60.387 61.300 -0.272 0.000 1.107 415 I CB 1.988 39.792 38.000 -0.326 0.000 1.285 415 I HN 0.465 nan 8.210 nan 0.000 0.436 416 D N 5.842 126.174 120.400 -0.113 0.000 2.481 416 D HA 0.478 5.118 4.640 -0.000 0.000 0.244 416 D C -0.565 175.742 176.300 0.012 0.000 1.057 416 D CA -0.419 53.539 54.000 -0.070 0.000 0.848 416 D CB 2.622 43.404 40.800 -0.029 0.000 1.388 416 D HN 0.249 nan 8.370 nan 0.000 0.475 417 L N 1.831 123.054 121.223 -0.001 0.000 2.380 417 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 417 L C 1.995 178.882 176.870 0.029 0.000 1.138 417 L CA -0.347 54.520 54.840 0.046 0.000 0.832 417 L CB 0.763 42.816 42.059 -0.009 0.000 1.124 417 L HN 0.374 nan 8.230 nan 0.000 0.454 418 E N 2.002 122.220 120.200 0.029 0.000 2.045 418 E HA -0.254 4.096 4.350 -0.000 0.000 0.212 418 E C 1.048 177.656 176.600 0.012 0.000 1.039 418 E CA 2.007 58.413 56.400 0.009 0.000 0.860 418 E CB 0.161 29.851 29.700 -0.017 0.000 0.776 418 E HN 0.445 nan 8.360 nan 0.000 0.467 419 K N -1.795 118.609 120.400 0.006 0.000 2.402 419 K HA 0.159 4.478 4.320 -0.000 0.000 0.204 419 K C 0.599 177.204 176.600 0.007 0.000 1.056 419 K CA 0.617 56.915 56.287 0.018 0.000 1.069 419 K CB 1.306 33.822 32.500 0.027 0.000 0.888 419 K HN 0.351 nan 8.250 nan 0.000 0.546 420 G N 1.583 110.375 108.800 -0.015 0.000 4.230 420 G HA2 -0.519 3.441 3.960 -0.000 0.000 0.340 420 G HA3 -0.519 3.441 3.960 -0.000 0.000 0.340 420 G C 1.151 176.017 174.900 -0.057 0.000 1.315 420 G CA 1.021 46.096 45.100 -0.042 0.000 1.033 420 G HN 0.375 nan 8.290 nan 0.000 0.741 421 E N 1.171 121.351 120.200 -0.034 0.000 2.169 421 E HA 0.025 4.375 4.350 -0.000 0.000 0.202 421 E C 2.857 179.433 176.600 -0.040 0.000 1.016 421 E CA 2.403 58.778 56.400 -0.041 0.000 0.817 421 E CB -0.559 29.133 29.700 -0.013 0.000 0.736 421 E HN 1.004 nan 8.360 nan 0.000 0.462 422 A N 0.927 123.740 122.820 -0.012 0.000 2.015 422 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 422 A C 1.719 179.297 177.584 -0.011 0.000 1.163 422 A CA 1.287 53.331 52.037 0.011 0.000 0.646 422 A CB -0.274 18.744 19.000 0.028 0.000 0.806 422 A HN 0.154 nan 8.150 nan 0.000 0.448 423 N N -0.762 117.907 118.700 -0.051 0.000 2.463 423 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 423 N C 0.384 175.817 175.510 -0.128 0.000 1.078 423 N CA 0.379 53.380 53.050 -0.081 0.000 0.902 423 N CB -0.398 38.026 38.487 -0.106 0.000 0.970 423 N HN 0.457 nan 8.380 nan 0.000 0.451 424 C N 2.790 122.010 119.300 -0.133 0.000 2.576 424 C HA 0.283 4.743 4.460 -0.000 0.000 0.401 424 C C 1.340 176.338 174.990 0.013 0.000 1.314 424 C CA -0.386 58.543 59.018 -0.148 0.000 1.855 424 C CB -0.950 26.715 27.740 -0.125 0.000 2.537 424 C HN 0.444 nan 8.230 nan 0.000 0.578 425 T N 3.683 118.362 114.554 0.209 0.000 2.923 425 T HA 0.405 4.755 4.350 -0.000 0.000 0.281 425 T C 1.198 175.961 174.700 0.105 0.000 0.995 425 T CA -0.658 61.541 62.100 0.164 0.000 0.985 425 T CB 0.757 69.729 68.868 0.173 0.000 1.114 425 T HN 0.756 nan 8.240 nan 0.000 0.548 426 R N -0.003 120.523 120.500 0.043 0.000 2.115 426 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 426 R C 2.444 178.770 176.300 0.044 0.000 1.111 426 R CA 1.257 57.371 56.100 0.022 0.000 0.976 426 R CB -0.325 29.977 30.300 0.004 0.000 0.870 426 R HN 0.621 nan 8.270 nan 0.000 0.445 427 Q N -0.532 119.284 119.800 0.028 0.000 2.172 427 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 427 Q C 1.845 177.853 176.000 0.013 0.000 0.964 427 Q CA 1.054 56.876 55.803 0.031 0.000 0.855 427 Q CB -0.125 28.575 28.738 -0.064 0.000 0.918 427 Q HN 0.441 nan 8.270 nan 0.000 0.444 428 H N -0.383 118.697 119.070 0.018 0.000 2.319 428 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 428 H C 1.895 177.230 175.328 0.012 0.000 1.092 428 H CA 1.659 57.701 56.048 -0.010 0.000 1.302 428 H CB -0.190 29.542 29.762 -0.050 0.000 1.373 428 H HN 0.303 nan 8.280 nan 0.000 0.497 429 M N 1.161 120.838 119.600 0.128 0.000 2.175 429 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 429 M C 2.468 178.801 176.300 0.055 0.000 1.063 429 M CA 1.588 56.925 55.300 0.062 0.000 1.119 429 M CB -0.008 32.598 32.600 0.011 0.000 1.377 429 M HN 0.309 nan 8.290 nan 0.000 0.415 430 Q N -0.519 119.319 119.800 0.064 0.000 2.297 430 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 430 Q C 1.655 177.678 176.000 0.038 0.000 0.962 430 Q CA 1.315 57.132 55.803 0.024 0.000 0.879 430 Q CB -0.442 28.305 28.738 0.014 0.000 0.947 430 Q HN 0.519 nan 8.270 nan 0.000 0.462 431 A N 1.594 124.543 122.820 0.214 0.000 1.898 431 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 431 A C 2.444 180.177 177.584 0.248 0.000 1.181 431 A CA 1.454 53.684 52.037 0.323 0.000 0.620 431 A CB -0.975 18.204 19.000 0.297 0.000 0.819 431 A HN 0.556 nan 8.150 nan 0.000 0.442 432 A N -0.842 122.073 122.820 0.159 0.000 1.908 432 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 432 A C 2.157 179.832 177.584 0.151 0.000 1.181 432 A CA 2.059 54.181 52.037 0.141 0.000 0.627 432 A CB -0.493 18.552 19.000 0.076 0.000 0.818 432 A HN 0.408 nan 8.150 nan 0.000 0.445 433 M N -1.863 117.788 119.600 0.085 0.000 2.117 433 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 433 M C 2.137 178.444 176.300 0.011 0.000 1.065 433 M CA 1.438 56.755 55.300 0.028 0.000 1.114 433 M CB -1.498 31.081 32.600 -0.034 0.000 1.361 433 M HN 0.669 nan 8.290 nan 0.000 0.408 434 Y N -0.148 120.095 120.300 -0.096 0.000 2.181 434 Y HA -0.327 4.223 4.550 -0.000 0.000 0.288 434 Y C 2.553 178.465 175.900 0.020 0.000 1.146 434 Y CA 1.998 60.033 58.100 -0.109 0.000 1.164 434 Y CB -0.711 37.627 38.460 -0.204 0.000 0.982 434 Y HN 0.244 nan 8.280 nan 0.000 0.515 435 Y N 0.112 120.439 120.300 0.044 0.000 2.145 435 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 435 Y C 2.172 178.019 175.900 -0.089 0.000 1.145 435 Y CA 1.868 59.952 58.100 -0.027 0.000 1.148 435 Y CB -0.352 38.141 38.460 0.056 0.000 0.981 435 Y HN 0.101 nan 8.280 nan 0.000 0.507 436 I N 0.386 120.925 120.570 -0.052 0.000 2.163 436 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 436 I C 2.401 178.471 176.117 -0.078 0.000 1.085 436 I CA 1.539 62.781 61.300 -0.096 0.000 1.347 436 I CB -1.440 36.602 38.000 0.070 0.000 1.044 436 I HN 0.380 nan 8.210 nan 0.000 0.408 437 L N -0.191 120.978 121.223 -0.091 0.000 2.093 437 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 437 L C 2.525 179.338 176.870 -0.094 0.000 1.085 437 L CA 1.231 56.000 54.840 -0.118 0.000 0.755 437 L CB -0.707 41.039 42.059 -0.523 0.000 0.904 437 L HN 0.235 nan 8.230 nan 0.000 0.435 438 T N -0.559 113.825 114.554 -0.283 0.000 2.668 438 T HA -0.090 4.259 4.350 -0.000 0.000 0.262 438 T C 1.916 176.487 174.700 -0.214 0.000 1.045 438 T CA 1.015 62.950 62.100 -0.275 0.000 1.152 438 T CB -0.026 68.517 68.868 -0.543 0.000 0.864 438 T HN 0.252 nan 8.240 nan 0.000 0.419 439 R N 0.570 120.840 120.500 -0.382 0.000 2.210 439 R HA 0.234 4.574 4.340 -0.000 0.000 0.203 439 R C 2.468 178.577 176.300 -0.317 0.000 1.010 439 R CA 0.811 56.692 56.100 -0.366 0.000 1.008 439 R CB -0.539 29.406 30.300 -0.591 0.000 0.923 439 R HN 0.459 nan 8.270 nan 0.000 0.469 440 G N -0.431 108.168 108.800 -0.336 0.000 2.645 440 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.207 440 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.207 440 G C 0.281 174.935 174.900 -0.410 0.000 1.145 440 G CA -0.359 44.497 45.100 -0.407 0.000 0.831 440 G HN 0.226 nan 8.290 nan 0.000 0.563 441 W N 1.973 123.203 121.300 -0.116 0.000 2.987 441 W HA 0.698 5.358 4.660 -0.000 0.000 0.441 441 W C 0.043 176.620 176.519 0.097 0.000 0.853 441 W CA -0.390 56.951 57.345 -0.007 0.000 2.222 441 W CB 0.490 29.953 29.460 0.005 0.000 1.139 441 W HN -0.073 nan 8.180 nan 0.000 0.819 442 S N 0.626 116.420 115.700 0.157 0.000 2.677 442 S HA 0.044 4.514 4.470 -0.000 0.000 0.283 442 S C -1.299 173.319 174.600 0.031 0.000 1.159 442 S CA -0.723 57.547 58.200 0.116 0.000 1.001 442 S CB 1.297 64.563 63.200 0.110 0.000 1.032 442 S HN 0.030 nan 8.310 nan 0.000 0.487 443 D N 3.082 123.498 120.400 0.026 0.000 2.422 443 D HA 0.176 4.816 4.640 -0.000 0.000 0.227 443 D C 0.643 176.946 176.300 0.004 0.000 1.190 443 D CA 0.438 54.442 54.000 0.007 0.000 0.905 443 D CB -0.267 40.539 40.800 0.010 0.000 1.034 443 D HN 0.625 nan 8.370 nan 0.000 0.507 444 N N 3.361 122.064 118.700 0.005 0.000 2.740 444 N HA -0.276 4.464 4.740 -0.000 0.000 0.248 444 N C 0.834 176.360 175.510 0.027 0.000 1.062 444 N CA 0.928 53.987 53.050 0.016 0.000 0.704 444 N CB -0.916 37.581 38.487 0.018 0.000 0.968 444 N HN 0.802 nan 8.380 nan 0.000 0.547 445 G N -0.698 108.116 108.800 0.023 0.000 2.399 445 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 445 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 445 G C -0.260 174.624 174.900 -0.027 0.000 1.096 445 G CA 0.300 45.414 45.100 0.024 0.000 0.650 445 G HN 0.512 nan 8.290 nan 0.000 0.512 446 D N 3.487 123.862 120.400 -0.041 0.000 2.424 446 D HA 0.441 5.081 4.640 -0.000 0.000 0.244 446 D C -2.334 173.901 176.300 -0.108 0.000 1.134 446 D CA -0.545 53.401 54.000 -0.091 0.000 0.881 446 D CB 1.230 41.990 40.800 -0.067 0.000 1.191 446 D HN 0.163 nan 8.370 nan 0.000 0.445 447 P HA 0.170 nan 4.420 nan 0.000 0.276 447 P C 0.024 177.128 177.300 -0.327 0.000 1.235 447 P CA -0.085 62.718 63.100 -0.494 0.000 0.772 447 P CB 0.501 31.543 31.700 -1.098 0.000 0.871 448 M N 3.999 123.578 119.600 -0.036 0.000 2.853 448 M HA 0.258 4.738 4.480 -0.000 0.000 0.274 448 M C -0.751 175.653 176.300 0.173 0.000 1.289 448 M CA 0.012 55.380 55.300 0.113 0.000 1.031 448 M CB -0.649 32.124 32.600 0.288 0.000 1.352 448 M HN 0.294 nan 8.290 nan 0.000 0.485 449 F N -1.807 118.135 119.950 -0.013 0.000 2.628 449 F HA 0.590 5.117 4.527 -0.000 0.000 0.309 449 F C -0.529 175.277 175.800 0.011 0.000 1.108 449 F CA -1.819 56.139 58.000 -0.069 0.000 0.971 449 F CB 0.341 39.267 39.000 -0.123 0.000 1.279 449 F HN 0.055 nan 8.300 nan 0.000 0.441 450 N N 0.913 119.734 118.700 0.203 0.000 2.366 450 N HA 0.221 4.961 4.740 -0.000 0.000 0.277 450 N C 0.472 176.137 175.510 0.257 0.000 1.275 450 N CA -0.238 52.904 53.050 0.152 0.000 0.964 450 N CB 0.394 38.967 38.487 0.142 0.000 1.167 450 N HN 0.783 nan 8.380 nan 0.000 0.568 451 Q N -1.366 118.524 119.800 0.151 0.000 2.389 451 Q HA 0.120 4.460 4.340 -0.000 0.000 0.204 451 Q C 1.225 177.296 176.000 0.117 0.000 0.944 451 Q CA 1.150 57.040 55.803 0.145 0.000 0.908 451 Q CB -0.521 28.261 28.738 0.073 0.000 1.002 451 Q HN 0.811 nan 8.270 nan 0.000 0.493 452 T N -1.200 113.399 114.554 0.075 0.000 2.737 452 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 452 T C 0.999 175.667 174.700 -0.052 0.000 1.038 452 T CA 1.326 63.393 62.100 -0.054 0.000 1.144 452 T CB -0.378 68.384 68.868 -0.176 0.000 0.866 452 T HN 0.432 nan 8.240 nan 0.000 0.434 453 W N 1.294 122.629 121.300 0.058 0.000 2.436 453 W HA 0.234 4.894 4.660 -0.000 0.000 0.284 453 W C 2.777 179.333 176.519 0.060 0.000 1.225 453 W CA 0.407 57.788 57.345 0.060 0.000 1.271 453 W CB -0.363 29.080 29.460 -0.028 0.000 1.114 453 W HN 0.218 nan 8.180 nan 0.000 0.559 454 A N -0.758 122.247 122.820 0.308 0.000 1.902 454 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 454 A C 1.891 179.537 177.584 0.104 0.000 1.181 454 A CA 2.284 54.420 52.037 0.164 0.000 0.623 454 A CB -1.298 17.907 19.000 0.342 0.000 0.818 454 A HN 0.188 nan 8.150 nan 0.000 0.443 455 T N -1.694 112.929 114.554 0.115 0.000 2.904 455 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 455 T C 1.534 176.279 174.700 0.076 0.000 1.059 455 T CA 1.425 63.567 62.100 0.069 0.000 1.137 455 T CB -0.382 68.513 68.868 0.045 0.000 0.879 455 T HN 0.443 nan 8.240 nan 0.000 0.467 456 F N 1.918 121.847 119.950 -0.035 0.000 2.113 456 F HA 0.098 4.625 4.527 -0.000 0.000 0.297 456 F C 2.307 178.116 175.800 0.014 0.000 1.103 456 F CA 1.210 59.196 58.000 -0.024 0.000 1.248 456 F CB -0.764 38.168 39.000 -0.112 0.000 0.999 456 F HN 0.168 nan 8.300 nan 0.000 0.475 457 A N 0.497 123.306 122.820 -0.019 0.000 1.873 457 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 457 A C 2.182 179.665 177.584 -0.168 0.000 1.186 457 A CA 1.902 53.862 52.037 -0.128 0.000 0.616 457 A CB -0.621 18.366 19.000 -0.021 0.000 0.823 457 A HN 0.416 nan 8.150 nan 0.000 0.442 458 M N -0.543 118.991 119.600 -0.110 0.000 2.193 458 M HA 0.024 4.504 4.480 -0.000 0.000 0.265 458 M C 1.092 177.342 176.300 -0.084 0.000 1.071 458 M CA 1.171 56.408 55.300 -0.105 0.000 1.140 458 M CB -1.167 31.384 32.600 -0.082 0.000 1.369 458 M HN 0.392 nan 8.290 nan 0.000 0.423 459 N N -0.713 117.943 118.700 -0.074 0.000 2.332 459 N HA 0.256 4.996 4.740 -0.000 0.000 0.190 459 N C 1.622 177.095 175.510 -0.062 0.000 1.117 459 N CA 0.448 53.473 53.050 -0.042 0.000 0.883 459 N CB 1.304 39.790 38.487 -0.001 0.000 1.089 459 N HN 0.296 nan 8.380 nan 0.000 0.480 460 I N 0.365 120.852 120.570 -0.138 0.000 3.136 460 I HA 0.135 4.305 4.170 -0.000 0.000 0.262 460 I C 2.220 178.158 176.117 -0.299 0.000 1.132 460 I CA 0.305 61.522 61.300 -0.138 0.000 1.450 460 I CB -0.173 37.849 38.000 0.037 0.000 1.315 460 I HN -0.107 nan 8.210 nan 0.000 0.460 461 A N 2.008 124.428 122.820 -0.667 0.000 1.892 461 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 461 A C -0.184 177.241 177.584 -0.265 0.000 1.188 461 A CA 2.126 53.789 52.037 -0.623 0.000 0.631 461 A CB -2.060 16.455 19.000 -0.810 0.000 0.822 461 A HN 0.268 nan 8.150 nan 0.000 0.447 462 P HA -0.053 nan 4.420 nan 0.000 0.218 462 P C 1.554 178.800 177.300 -0.089 0.000 1.149 462 P CA 1.702 64.735 63.100 -0.112 0.000 0.817 462 P CB -0.107 31.551 31.700 -0.071 0.000 0.785 463 A N -0.754 122.019 122.820 -0.077 0.000 2.015 463 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 463 A C 2.114 179.685 177.584 -0.021 0.000 1.163 463 A CA 1.102 53.116 52.037 -0.038 0.000 0.646 463 A CB -1.520 17.472 19.000 -0.014 0.000 0.806 463 A HN 0.130 nan 8.150 nan 0.000 0.448 464 L N -1.371 119.832 121.223 -0.034 0.000 2.156 464 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 464 L C 2.097 179.001 176.870 0.057 0.000 1.095 464 L CA 0.813 55.671 54.840 0.030 0.000 0.770 464 L CB -0.135 41.929 42.059 0.008 0.000 0.914 464 L HN 0.251 nan 8.230 nan 0.000 0.439 465 V N -1.609 118.257 119.914 -0.080 0.000 3.455 465 V HA 0.135 4.255 4.120 -0.000 0.000 0.250 465 V C 0.445 176.285 176.094 -0.423 0.000 1.230 465 V CA 0.145 62.275 62.300 -0.284 0.000 1.105 465 V CB 1.735 33.462 31.823 -0.161 0.000 0.850 465 V HN -0.050 nan 8.190 nan 0.000 0.461 466 V N 1.133 120.908 119.914 -0.232 0.000 2.417 466 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 466 V C 0.339 176.346 176.094 -0.145 0.000 1.024 466 V CA -0.631 61.551 62.300 -0.197 0.000 0.861 466 V CB 1.309 33.064 31.823 -0.113 0.000 0.985 466 V HN 0.486 nan 8.190 nan 0.000 0.436 467 D N 2.153 122.457 120.400 -0.159 0.000 2.911 467 D HA -0.172 4.468 4.640 -0.000 0.000 0.227 467 D C 1.188 177.415 176.300 -0.121 0.000 1.164 467 D CA 1.391 55.304 54.000 -0.145 0.000 0.782 467 D CB -0.343 40.394 40.800 -0.104 0.000 1.094 467 D HN 0.820 nan 8.370 nan 0.000 0.425 468 S N -0.825 114.827 115.700 -0.080 0.000 2.646 468 S HA 0.562 5.032 4.470 -0.000 0.000 0.192 468 S C 0.741 175.397 174.600 0.092 0.000 1.218 468 S CA 0.517 58.737 58.200 0.034 0.000 1.545 468 S CB 1.306 64.580 63.200 0.123 0.000 0.737 468 S HN 0.402 nan 8.310 nan 0.000 0.467 469 S N -0.718 115.145 115.700 0.272 0.000 2.685 469 S HA 0.757 5.226 4.470 -0.000 0.000 0.282 469 S C -0.562 174.325 174.600 0.478 0.000 1.159 469 S CA -0.497 57.884 58.200 0.302 0.000 0.833 469 S CB 0.887 64.227 63.200 0.233 0.000 1.151 469 S HN 1.714 nan 8.310 nan 0.000 0.485 470 C N 0.268 119.785 119.300 0.362 0.000 3.090 470 C HA 0.872 5.332 4.460 -0.000 0.000 0.305 470 C C -0.992 174.102 174.990 0.174 0.000 1.292 470 C CA -0.937 58.221 59.018 0.233 0.000 1.482 470 C CB 0.246 28.160 27.740 0.290 0.000 1.897 470 C HN 1.118 nan 8.230 nan 0.000 0.469 471 L N 2.958 124.236 121.223 0.092 0.000 2.276 471 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 471 L C 0.217 177.181 176.870 0.157 0.000 1.024 471 L CA -0.167 54.749 54.840 0.126 0.000 0.826 471 L CB 0.612 42.742 42.059 0.118 0.000 1.211 471 L HN 0.894 nan 8.230 nan 0.000 0.422 472 I N 4.925 125.591 120.570 0.159 0.000 4.236 472 I HA 0.148 4.318 4.170 -0.000 0.000 0.224 472 I C 1.481 177.627 176.117 0.048 0.000 0.995 472 I CA 0.923 62.330 61.300 0.178 0.000 1.505 472 I CB -0.008 38.086 38.000 0.157 0.000 1.378 472 I HN 0.739 nan 8.210 nan 0.000 0.438 473 M N 0.952 120.479 119.600 -0.121 0.000 2.225 473 M HA 0.002 4.482 4.480 -0.000 0.000 0.233 473 M C 1.178 177.233 176.300 -0.407 0.000 1.280 473 M CA 1.585 56.565 55.300 -0.534 0.000 1.063 473 M CB -0.653 31.671 32.600 -0.460 0.000 1.015 473 M HN 0.484 nan 8.290 nan 0.000 0.465 474 N N 0.628 119.229 118.700 -0.166 0.000 2.230 474 N HA 0.195 4.935 4.740 -0.000 0.000 0.202 474 N C -0.622 174.909 175.510 0.035 0.000 1.119 474 N CA 0.115 53.180 53.050 0.024 0.000 0.851 474 N CB -0.418 38.140 38.487 0.119 0.000 0.990 474 N HN 0.293 nan 8.380 nan 0.000 0.497 475 L N 0.853 122.087 121.223 0.018 0.000 2.275 475 L HA 0.353 4.693 4.340 -0.000 0.000 0.288 475 L C -0.089 176.835 176.870 0.091 0.000 1.046 475 L CA -0.595 54.271 54.840 0.044 0.000 0.805 475 L CB 1.388 43.471 42.059 0.040 0.000 1.193 475 L HN -0.067 nan 8.230 nan 0.000 0.426 476 Q N 5.186 125.045 119.800 0.098 0.000 2.377 476 Q HA 0.499 4.839 4.340 -0.000 0.000 0.249 476 Q C -0.592 175.488 176.000 0.133 0.000 1.005 476 Q CA -0.148 55.735 55.803 0.134 0.000 0.912 476 Q CB 1.312 30.124 28.738 0.122 0.000 1.223 476 Q HN 0.545 nan 8.270 nan 0.000 0.459 477 I N -1.676 119.003 120.570 0.183 0.000 2.740 477 I HA 0.553 4.723 4.170 -0.000 0.000 0.303 477 I C -0.452 175.800 176.117 0.226 0.000 1.044 477 I CA -1.343 60.094 61.300 0.228 0.000 1.064 477 I CB 1.799 39.998 38.000 0.331 0.000 1.249 477 I HN 0.239 nan 8.210 nan 0.000 0.433 478 K N 2.678 123.150 120.400 0.120 0.000 2.355 478 K HA 0.201 4.521 4.320 -0.000 0.000 0.270 478 K C -0.161 176.431 176.600 -0.013 0.000 1.003 478 K CA 0.046 56.288 56.287 -0.075 0.000 0.957 478 K CB 0.710 32.973 32.500 -0.396 0.000 0.939 478 K HN 0.911 nan 8.250 nan 0.000 0.482 479 T N 0.642 115.173 114.554 -0.039 0.000 2.895 479 T HA 0.347 4.696 4.350 -0.000 0.000 0.283 479 T C -0.804 173.761 174.700 -0.225 0.000 1.014 479 T CA -0.671 61.455 62.100 0.043 0.000 1.037 479 T CB 0.576 69.522 68.868 0.131 0.000 1.006 479 T HN 0.371 nan 8.240 nan 0.000 0.468 480 Y N 1.526 121.829 120.300 0.004 0.000 2.331 480 Y HA 0.582 5.132 4.550 -0.000 0.000 0.338 480 Y C 1.343 177.217 175.900 -0.043 0.000 0.976 480 Y CA 0.509 58.585 58.100 -0.039 0.000 1.137 480 Y CB 1.358 39.793 38.460 -0.042 0.000 1.172 480 Y HN 1.416 nan 8.280 nan 0.000 0.478 481 G N 2.487 111.314 108.800 0.045 0.000 2.598 481 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 481 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 481 G C -0.582 174.254 174.900 -0.107 0.000 1.302 481 G CA -0.481 44.610 45.100 -0.016 0.000 0.903 481 G HN 0.737 nan 8.290 nan 0.000 0.575 482 Q N 0.446 120.169 119.800 -0.128 0.000 2.299 482 Q HA 0.515 4.855 4.340 -0.000 0.000 0.246 482 Q C 0.989 176.831 176.000 -0.265 0.000 0.935 482 Q CA 0.016 55.681 55.803 -0.230 0.000 0.887 482 Q CB 0.595 29.232 28.738 -0.167 0.000 1.223 482 Q HN 1.288 nan 8.270 nan 0.000 0.439 483 G N 1.685 110.158 108.800 -0.545 0.000 2.441 483 G HA2 0.077 4.037 3.960 -0.000 0.000 0.243 483 G HA3 0.077 4.037 3.960 -0.000 0.000 0.243 483 G C -0.495 174.384 174.900 -0.035 0.000 1.281 483 G CA -0.504 44.333 45.100 -0.439 0.000 0.854 483 G HN 0.616 nan 8.290 nan 0.000 0.560 484 S N 1.580 117.360 115.700 0.132 0.000 3.455 484 S HA 0.316 4.786 4.470 -0.000 0.000 0.288 484 S C 1.277 176.010 174.600 0.222 0.000 1.231 484 S CA -0.096 58.200 58.200 0.159 0.000 1.031 484 S CB 0.147 63.444 63.200 0.163 0.000 1.570 484 S HN 0.885 nan 8.310 nan 0.000 0.519 485 G N 1.840 110.765 108.800 0.207 0.000 2.546 485 G HA2 0.250 4.210 3.960 -0.000 0.000 0.239 485 G HA3 0.250 4.210 3.960 -0.000 0.000 0.239 485 G C 0.641 175.651 174.900 0.184 0.000 1.476 485 G CA -0.215 45.016 45.100 0.217 0.000 1.064 485 G HN 0.552 nan 8.290 nan 0.000 0.561 486 N N -3.534 115.280 118.700 0.191 0.000 2.011 486 N HA 0.138 4.878 4.740 -0.000 0.000 0.254 486 N C 1.619 177.271 175.510 0.236 0.000 1.205 486 N CA 0.725 53.896 53.050 0.201 0.000 0.783 486 N CB 0.085 38.683 38.487 0.186 0.000 1.472 486 N HN 0.408 nan 8.380 nan 0.000 0.524 487 A N 0.521 123.473 122.820 0.220 0.000 1.878 487 A HA 0.441 4.761 4.320 -0.000 0.000 0.213 487 A C 2.112 179.829 177.584 0.221 0.000 1.192 487 A CA 1.500 53.670 52.037 0.223 0.000 0.619 487 A CB -0.955 18.172 19.000 0.212 0.000 0.837 487 A HN 0.269 nan 8.150 nan 0.000 0.446 488 A N -0.087 122.851 122.820 0.197 0.000 2.019 488 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 488 A C 2.227 179.889 177.584 0.130 0.000 1.164 488 A CA 2.302 54.426 52.037 0.145 0.000 0.644 488 A CB -1.080 18.014 19.000 0.156 0.000 0.805 488 A HN 0.751 nan 8.150 nan 0.000 0.449 489 T N -4.454 110.188 114.554 0.147 0.000 3.081 489 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 489 T C 1.421 176.180 174.700 0.099 0.000 1.100 489 T CA 0.574 62.731 62.100 0.094 0.000 1.038 489 T CB -0.454 68.461 68.868 0.077 0.000 0.962 489 T HN 0.277 nan 8.240 nan 0.000 0.516 490 F N 2.473 122.439 119.950 0.028 0.000 2.069 490 F HA 0.019 4.545 4.527 -0.000 0.000 0.298 490 F C 1.800 177.578 175.800 -0.037 0.000 1.113 490 F CA 1.380 59.377 58.000 -0.005 0.000 1.214 490 F CB -0.339 38.661 39.000 -0.001 0.000 0.978 490 F HN 0.104 nan 8.300 nan 0.000 0.474 491 I N 0.301 120.900 120.570 0.048 0.000 2.315 491 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 491 I C 1.978 178.026 176.117 -0.115 0.000 1.117 491 I CA 1.077 62.337 61.300 -0.067 0.000 1.404 491 I CB -0.694 37.337 38.000 0.052 0.000 1.071 491 I HN 0.200 nan 8.210 nan 0.000 0.419 492 N N 1.140 119.797 118.700 -0.071 0.000 2.084 492 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 492 N C 1.608 177.030 175.510 -0.147 0.000 1.030 492 N CA 1.244 54.246 53.050 -0.080 0.000 0.849 492 N CB -0.607 37.847 38.487 -0.055 0.000 1.012 492 N HN 0.346 nan 8.380 nan 0.000 0.423 493 N N 0.487 119.080 118.700 -0.177 0.000 2.120 493 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 493 N C 1.665 177.008 175.510 -0.280 0.000 1.024 493 N CA 0.764 53.685 53.050 -0.216 0.000 0.852 493 N CB -0.658 37.714 38.487 -0.191 0.000 1.003 493 N HN 0.432 nan 8.380 nan 0.000 0.424 494 H N 1.072 119.849 119.070 -0.489 0.000 2.387 494 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 494 H C 2.212 177.343 175.328 -0.328 0.000 1.099 494 H CA 0.924 56.669 56.048 -0.505 0.000 1.315 494 H CB -0.173 29.137 29.762 -0.753 0.000 1.380 494 H HN 0.165 nan 8.280 nan 0.000 0.513 495 L N -0.037 121.108 121.223 -0.130 0.000 2.017 495 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 495 L C 2.311 179.083 176.870 -0.163 0.000 1.073 495 L CA 0.834 55.601 54.840 -0.123 0.000 0.745 495 L CB -0.262 41.749 42.059 -0.081 0.000 0.894 495 L HN 0.140 nan 8.230 nan 0.000 0.432 496 L N -0.440 120.661 121.223 -0.204 0.000 2.042 496 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 496 L C 2.670 179.413 176.870 -0.211 0.000 1.076 496 L CA 1.900 56.597 54.840 -0.238 0.000 0.749 496 L CB -1.071 40.821 42.059 -0.278 0.000 0.893 496 L HN 0.221 nan 8.230 nan 0.000 0.432 497 S N -1.592 113.961 115.700 -0.246 0.000 2.402 497 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 497 S C 1.901 176.359 174.600 -0.237 0.000 1.021 497 S CA 1.492 59.531 58.200 -0.268 0.000 0.974 497 S CB -0.391 62.597 63.200 -0.354 0.000 0.800 497 S HN 0.501 nan 8.310 nan 0.000 0.484 498 T N 2.955 117.377 114.554 -0.219 0.000 2.788 498 T HA 0.057 4.407 4.350 -0.000 0.000 0.268 498 T C 1.679 176.312 174.700 -0.111 0.000 1.044 498 T CA 0.865 62.877 62.100 -0.145 0.000 1.139 498 T CB -0.353 68.445 68.868 -0.116 0.000 0.867 498 T HN 0.286 nan 8.240 nan 0.000 0.454 499 L N 0.598 121.731 121.223 -0.149 0.000 2.056 499 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 499 L C 2.647 179.470 176.870 -0.079 0.000 1.078 499 L CA 0.766 55.516 54.840 -0.152 0.000 0.749 499 L CB -0.755 41.148 42.059 -0.259 0.000 0.901 499 L HN 0.139 nan 8.230 nan 0.000 0.433 500 V N -0.075 119.764 119.914 -0.124 0.000 2.332 500 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 500 V C 2.452 178.471 176.094 -0.124 0.000 1.055 500 V CA 1.450 63.645 62.300 -0.175 0.000 1.038 500 V CB -0.401 31.240 31.823 -0.303 0.000 0.651 500 V HN 0.253 nan 8.190 nan 0.000 0.450 501 L N 0.263 121.445 121.223 -0.068 0.000 2.056 501 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 501 L C 2.199 179.166 176.870 0.162 0.000 1.078 501 L CA 2.215 57.108 54.840 0.089 0.000 0.749 501 L CB -0.978 41.112 42.059 0.051 0.000 0.901 501 L HN 0.445 nan 8.230 nan 0.000 0.433 502 D N -1.347 119.102 120.400 0.082 0.000 2.104 502 D HA -0.255 4.385 4.640 -0.000 0.000 0.194 502 D C 2.174 178.522 176.300 0.081 0.000 0.994 502 D CA 1.141 55.193 54.000 0.087 0.000 0.830 502 D CB 0.123 40.999 40.800 0.127 0.000 0.959 502 D HN 0.160 nan 8.370 nan 0.000 0.452 503 Q N -1.031 118.819 119.800 0.083 0.000 2.124 503 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 503 Q C 1.556 177.580 176.000 0.040 0.000 0.977 503 Q CA 1.308 57.141 55.803 0.050 0.000 0.850 503 Q CB -0.587 28.169 28.738 0.030 0.000 0.901 503 Q HN 0.551 nan 8.270 nan 0.000 0.429 504 W N 0.910 122.112 121.300 -0.165 0.000 2.358 504 W HA -0.149 4.511 4.660 -0.000 0.000 0.303 504 W C 1.372 177.860 176.519 -0.052 0.000 1.208 504 W CA 1.742 58.992 57.345 -0.158 0.000 1.274 504 W CB -0.558 28.815 29.460 -0.145 0.000 1.138 504 W HN 0.207 nan 8.180 nan 0.000 0.515 505 N N 0.386 119.019 118.700 -0.110 0.000 2.120 505 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 505 N C 1.926 177.329 175.510 -0.178 0.000 1.024 505 N CA 2.090 54.992 53.050 -0.246 0.000 0.852 505 N CB -1.150 37.269 38.487 -0.114 0.000 1.003 505 N HN 0.252 nan 8.380 nan 0.000 0.424 506 L N 0.855 122.021 121.223 -0.095 0.000 2.131 506 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 506 L C 1.611 178.432 176.870 -0.082 0.000 1.092 506 L CA 0.819 55.611 54.840 -0.079 0.000 0.759 506 L CB -0.451 41.575 42.059 -0.055 0.000 0.903 506 L HN 0.279 nan 8.230 nan 0.000 0.435 507 M N -1.053 118.495 119.600 -0.087 0.000 2.859 507 M HA 0.314 4.794 4.480 -0.000 0.000 0.297 507 M C -0.049 176.191 176.300 -0.101 0.000 1.268 507 M CA -0.118 55.141 55.300 -0.069 0.000 1.003 507 M CB 0.355 32.938 32.600 -0.029 0.000 1.308 507 M HN 0.035 nan 8.290 nan 0.000 0.502 508 R N 0.351 120.757 120.500 -0.157 0.000 3.770 508 R HA -0.178 4.162 4.340 -0.000 0.000 0.305 508 R C -0.854 175.295 176.300 -0.251 0.000 1.184 508 R CA 0.863 56.858 56.100 -0.175 0.000 0.823 508 R CB -2.727 27.517 30.300 -0.092 0.000 1.285 508 R HN 0.827 nan 8.270 nan 0.000 0.499 509 Q N -2.810 116.691 119.800 -0.497 0.000 2.448 509 Q HA -0.158 4.182 4.340 -0.000 0.000 0.357 509 Q C -2.343 173.644 176.000 -0.022 0.000 1.443 509 Q CA 0.411 55.685 55.803 -0.882 0.000 0.996 509 Q CB -0.823 27.267 28.738 -1.080 0.000 1.180 509 Q HN 0.315 nan 8.270 nan 0.000 0.338 510 P HA 0.032 nan 4.420 nan 0.000 0.274 510 P C -0.259 177.138 177.300 0.161 0.000 1.246 510 P CA -0.450 62.809 63.100 0.265 0.000 0.795 510 P CB 0.609 32.456 31.700 0.245 0.000 1.006 511 R N 2.598 122.915 120.500 -0.304 0.000 2.449 511 R HA 0.039 4.379 4.340 -0.000 0.000 0.296 511 R C -1.554 174.353 176.300 -0.655 0.000 1.047 511 R CA -1.127 54.449 56.100 -0.873 0.000 1.018 511 R CB -0.267 29.724 30.300 -0.514 0.000 0.962 511 R HN 0.351 nan 8.270 nan 0.000 0.428 512 P HA -0.211 nan 4.420 nan 0.000 0.217 512 P C 0.257 176.997 177.300 -0.933 0.000 1.148 512 P CA 1.583 63.659 63.100 -1.705 0.000 0.834 512 P CB 0.125 30.666 31.700 -1.931 0.000 0.783 513 D N -1.388 118.644 120.400 -0.614 0.000 2.347 513 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 513 D C 0.653 176.898 176.300 -0.093 0.000 0.976 513 D CA 0.179 54.044 54.000 -0.225 0.000 0.884 513 D CB -0.860 39.901 40.800 -0.064 0.000 0.915 513 D HN 0.170 nan 8.370 nan 0.000 0.526 514 S N -0.717 114.928 115.700 -0.091 0.000 2.608 514 S HA 0.034 4.504 4.470 -0.000 0.000 0.261 514 S C 1.172 175.816 174.600 0.073 0.000 1.314 514 S CA -0.560 57.644 58.200 0.007 0.000 0.992 514 S CB 1.549 64.759 63.200 0.017 0.000 0.935 514 S HN 0.188 nan 8.310 nan 0.000 0.564 515 E N 0.337 120.575 120.200 0.064 0.000 2.106 515 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 515 E C 1.581 178.236 176.600 0.092 0.000 0.984 515 E CA 1.187 57.627 56.400 0.068 0.000 0.806 515 E CB -0.157 29.567 29.700 0.041 0.000 0.750 515 E HN 0.799 nan 8.360 nan 0.000 0.458 516 E N 0.066 120.324 120.200 0.098 0.000 2.077 516 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 516 E C 1.584 178.273 176.600 0.149 0.000 0.989 516 E CA 1.132 57.592 56.400 0.101 0.000 0.800 516 E CB -0.329 29.426 29.700 0.090 0.000 0.746 516 E HN 0.300 nan 8.360 nan 0.000 0.452 517 F N 1.069 121.055 119.950 0.060 0.000 2.186 517 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 517 F C 2.076 177.991 175.800 0.192 0.000 1.090 517 F CA 1.160 59.214 58.000 0.091 0.000 1.307 517 F CB 0.196 39.186 39.000 -0.018 0.000 1.019 517 F HN -0.147 nan 8.300 nan 0.000 0.489 518 K N 0.593 121.216 120.400 0.372 0.000 2.211 518 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 518 K C 2.050 178.702 176.600 0.087 0.000 1.050 518 K CA 1.368 57.811 56.287 0.260 0.000 0.945 518 K CB -0.505 32.074 32.500 0.132 0.000 0.732 518 K HN 0.301 nan 8.250 nan 0.000 0.451 519 S N -0.476 115.268 115.700 0.073 0.000 2.603 519 S HA -0.012 4.458 4.470 -0.000 0.000 0.229 519 S C 1.744 176.355 174.600 0.017 0.000 0.972 519 S CA 0.426 58.639 58.200 0.021 0.000 0.935 519 S CB -0.534 62.678 63.200 0.021 0.000 0.769 519 S HN 0.297 nan 8.310 nan 0.000 0.536 520 I N 2.490 123.092 120.570 0.053 0.000 2.439 520 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 520 I C 2.791 178.970 176.117 0.104 0.000 1.139 520 I CA 1.556 62.889 61.300 0.054 0.000 1.438 520 I CB -0.315 37.644 38.000 -0.069 0.000 1.085 520 I HN 0.567 nan 8.210 nan 0.000 0.427 521 E N 0.656 120.870 120.200 0.024 0.000 2.216 521 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 521 E C 1.128 177.669 176.600 -0.098 0.000 0.988 521 E CA 0.987 57.303 56.400 -0.139 0.000 0.834 521 E CB -0.231 29.094 29.700 -0.624 0.000 0.772 521 E HN 0.475 nan 8.360 nan 0.000 0.479 522 D N 1.432 121.786 120.400 -0.077 0.000 2.224 522 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 522 D C 1.597 177.886 176.300 -0.019 0.000 0.965 522 D CA 0.851 54.821 54.000 -0.050 0.000 0.852 522 D CB 0.088 40.861 40.800 -0.043 0.000 0.947 522 D HN 0.260 nan 8.370 nan 0.000 0.494 523 K N 0.056 120.455 120.400 -0.001 0.000 2.186 523 K HA 0.117 4.437 4.320 -0.000 0.000 0.202 523 K C 2.002 178.625 176.600 0.038 0.000 1.052 523 K CA 0.326 56.624 56.287 0.018 0.000 0.965 523 K CB 0.438 32.951 32.500 0.023 0.000 0.746 523 K HN 0.067 nan 8.250 nan 0.000 0.457 524 L N -1.252 119.994 121.223 0.038 0.000 2.575 524 L HA 0.206 4.546 4.340 -0.000 0.000 0.228 524 L C 1.049 177.941 176.870 0.037 0.000 1.075 524 L CA 0.296 55.166 54.840 0.050 0.000 0.867 524 L CB 0.546 42.634 42.059 0.047 0.000 1.097 524 L HN 0.385 nan 8.230 nan 0.000 0.485 525 G N 1.335 110.140 108.800 0.008 0.000 2.148 525 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 525 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 525 G C 0.142 175.026 174.900 -0.026 0.000 0.981 525 G CA -0.017 45.079 45.100 -0.007 0.000 0.670 525 G HN 0.273 nan 8.290 nan 0.000 0.528 526 I N 1.099 121.654 120.570 -0.026 0.000 2.321 526 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 526 I C -0.269 175.813 176.117 -0.058 0.000 0.998 526 I CA -1.062 60.220 61.300 -0.029 0.000 1.227 526 I CB 1.192 39.193 38.000 0.002 0.000 1.368 526 I HN -0.039 nan 8.210 nan 0.000 0.466 527 N N 7.364 126.013 118.700 -0.085 0.000 2.514 527 N HA 0.588 5.328 4.740 -0.000 0.000 0.277 527 N C -0.839 174.635 175.510 -0.060 0.000 1.126 527 N CA -0.085 52.862 53.050 -0.170 0.000 0.978 527 N CB 0.791 39.207 38.487 -0.118 0.000 1.106 527 N HN 0.456 nan 8.380 nan 0.000 0.461 528 F N -1.588 118.338 119.950 -0.041 0.000 2.662 528 F HA 0.774 5.301 4.527 -0.000 0.000 0.312 528 F C -1.020 174.768 175.800 -0.019 0.000 1.113 528 F CA -1.383 56.595 58.000 -0.038 0.000 0.951 528 F CB 1.607 40.583 39.000 -0.039 0.000 1.344 528 F HN 0.318 nan 8.300 nan 0.000 0.462 529 K N 0.795 121.366 120.400 0.285 0.000 2.551 529 K HA 0.648 4.968 4.320 -0.000 0.000 0.269 529 K C -1.888 174.773 176.600 0.101 0.000 0.949 529 K CA -0.830 55.555 56.287 0.164 0.000 0.849 529 K CB 2.372 34.908 32.500 0.060 0.000 1.411 529 K HN 0.744 nan 8.250 nan 0.000 0.432 530 I N 2.828 123.434 120.570 0.059 0.000 2.363 530 I HA 0.005 4.175 4.170 -0.000 0.000 0.292 530 I C 1.370 177.496 176.117 0.016 0.000 1.075 530 I CA -0.160 61.142 61.300 0.004 0.000 1.333 530 I CB 0.862 38.867 38.000 0.008 0.000 1.415 530 I HN 0.834 nan 8.210 nan 0.000 0.502 531 E N 7.182 127.382 120.200 -0.000 0.000 2.107 531 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 531 E C 0.552 177.175 176.600 0.038 0.000 0.982 531 E CA 0.959 57.371 56.400 0.019 0.000 0.809 531 E CB 0.480 30.188 29.700 0.013 0.000 0.756 531 E HN 0.631 nan 8.360 nan 0.000 0.459 532 R N -0.608 119.917 120.500 0.042 0.000 2.634 532 R HA 0.218 4.558 4.340 -0.000 0.000 0.263 532 R C -1.784 174.541 176.300 0.041 0.000 1.060 532 R CA -0.087 56.051 56.100 0.065 0.000 0.898 532 R CB 1.297 31.669 30.300 0.120 0.000 1.253 532 R HN 0.063 nan 8.270 nan 0.000 0.461 533 S N 3.359 119.065 115.700 0.010 0.000 2.536 533 S HA 0.603 5.073 4.470 -0.000 0.000 0.271 533 S C -0.751 173.814 174.600 -0.059 0.000 1.134 533 S CA -0.842 57.280 58.200 -0.130 0.000 0.897 533 S CB 1.440 64.446 63.200 -0.323 0.000 1.094 533 S HN 0.487 nan 8.310 nan 0.000 0.473 534 I N 2.421 122.974 120.570 -0.028 0.000 2.411 534 I HA 0.342 4.512 4.170 -0.000 0.000 0.284 534 I C -0.695 175.397 176.117 -0.042 0.000 1.012 534 I CA -0.610 60.694 61.300 0.005 0.000 1.119 534 I CB 1.401 39.436 38.000 0.058 0.000 1.261 534 I HN 0.606 nan 8.210 nan 0.000 0.448 535 D N 5.387 125.759 120.400 -0.047 0.000 2.382 535 D HA 0.008 4.648 4.640 -0.000 0.000 0.245 535 D C 0.365 176.663 176.300 -0.004 0.000 1.120 535 D CA 0.659 54.642 54.000 -0.029 0.000 0.890 535 D CB 0.904 41.696 40.800 -0.013 0.000 1.201 535 D HN 0.590 nan 8.370 nan 0.000 0.433 536 D N 1.361 121.767 120.400 0.009 0.000 2.746 536 D HA -0.221 4.419 4.640 -0.000 0.000 0.241 536 D C 0.792 177.096 176.300 0.006 0.000 1.140 536 D CA 0.040 54.047 54.000 0.012 0.000 0.707 536 D CB -1.068 39.737 40.800 0.008 0.000 1.034 536 D HN 0.372 nan 8.370 nan 0.000 0.423 537 I N 1.056 121.636 120.570 0.017 0.000 2.252 537 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 537 I C 2.346 178.449 176.117 -0.024 0.000 1.102 537 I CA 1.509 62.810 61.300 0.003 0.000 1.385 537 I CB -0.070 37.969 38.000 0.066 0.000 1.064 537 I HN 0.222 nan 8.210 nan 0.000 0.414 538 R N 0.057 120.553 120.500 -0.007 0.000 2.075 538 R HA -0.050 4.289 4.340 -0.000 0.000 0.232 538 R C 2.333 178.626 176.300 -0.011 0.000 1.126 538 R CA 1.248 57.338 56.100 -0.017 0.000 0.963 538 R CB -0.961 29.334 30.300 -0.009 0.000 0.858 538 R HN 0.539 nan 8.270 nan 0.000 0.435 539 G N 1.284 110.081 108.800 -0.005 0.000 2.418 539 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.217 539 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.217 539 G C 1.277 176.176 174.900 -0.001 0.000 1.158 539 G CA 0.618 45.717 45.100 -0.002 0.000 0.771 539 G HN 0.228 nan 8.290 nan 0.000 0.545 540 K N -0.290 120.105 120.400 -0.008 0.000 2.097 540 K HA 0.126 4.446 4.320 -0.000 0.000 0.205 540 K C 2.491 179.091 176.600 -0.001 0.000 1.050 540 K CA 0.587 56.869 56.287 -0.008 0.000 0.938 540 K CB -0.224 32.264 32.500 -0.020 0.000 0.718 540 K HN 0.251 nan 8.250 nan 0.000 0.442 541 L N 0.377 121.586 121.223 -0.024 0.000 2.056 541 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 541 L C 2.438 179.376 176.870 0.113 0.000 1.078 541 L CA 1.265 56.095 54.840 -0.016 0.000 0.749 541 L CB -0.282 41.688 42.059 -0.149 0.000 0.901 541 L HN 0.120 nan 8.230 nan 0.000 0.433 542 R N -0.302 120.236 120.500 0.064 0.000 2.096 542 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 542 R C 2.273 178.579 176.300 0.010 0.000 1.127 542 R CA 1.548 57.680 56.100 0.055 0.000 0.968 542 R CB -0.301 30.009 30.300 0.017 0.000 0.861 542 R HN 0.408 nan 8.270 nan 0.000 0.440 543 Q N 1.148 120.956 119.800 0.013 0.000 2.226 543 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 543 Q C 1.914 177.915 176.000 0.002 0.000 0.975 543 Q CA 1.038 56.840 55.803 -0.002 0.000 0.866 543 Q CB -0.062 28.678 28.738 0.005 0.000 0.915 543 Q HN 0.345 nan 8.270 nan 0.000 0.440 544 L N -0.231 121.022 121.223 0.049 0.000 2.187 544 L HA -0.195 4.144 4.340 -0.000 0.000 0.213 544 L C 2.194 179.057 176.870 -0.013 0.000 1.100 544 L CA 0.729 55.621 54.840 0.087 0.000 0.765 544 L CB -0.369 41.836 42.059 0.243 0.000 0.904 544 L HN 0.177 nan 8.230 nan 0.000 0.437 545 V N -0.648 119.140 119.914 -0.210 0.000 2.548 545 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 545 V C 2.144 178.075 176.094 -0.270 0.000 1.055 545 V CA 1.289 63.238 62.300 -0.585 0.000 1.065 545 V CB -0.201 31.191 31.823 -0.719 0.000 0.681 545 V HN 0.310 nan 8.190 nan 0.000 0.462 546 L N -0.764 120.378 121.223 -0.134 0.000 2.202 546 L HA 0.184 4.524 4.340 -0.000 0.000 0.205 546 L C 1.737 178.594 176.870 -0.022 0.000 1.083 546 L CA 1.698 56.497 54.840 -0.068 0.000 0.790 546 L CB -0.083 41.946 42.059 -0.050 0.000 0.942 546 L HN 0.183 nan 8.230 nan 0.000 0.452 547 L N 0.009 121.229 121.223 -0.005 0.000 2.700 547 L HA 0.359 4.699 4.340 -0.000 0.000 0.234 547 L C 0.763 177.655 176.870 0.038 0.000 1.156 547 L CA -0.260 54.590 54.840 0.016 0.000 0.946 547 L CB -0.521 41.548 42.059 0.016 0.000 1.216 547 L HN 0.148 nan 8.230 nan 0.000 0.493 548 A N 0.790 123.647 122.820 0.062 0.000 2.524 548 A HA 0.231 4.550 4.320 -0.000 0.000 0.250 548 A C 0.369 177.995 177.584 0.070 0.000 1.078 548 A CA -0.038 52.059 52.037 0.100 0.000 0.761 548 A CB 0.179 19.294 19.000 0.192 0.000 1.012 548 A HN 0.222 nan 8.150 nan 0.000 0.500 549 Q N 1.477 121.311 119.800 0.057 0.000 2.256 549 Q HA 0.382 4.722 4.340 -0.000 0.000 0.232 549 Q C -2.318 173.703 176.000 0.035 0.000 0.965 549 Q CA -1.923 53.900 55.803 0.035 0.000 0.908 549 Q CB -0.082 28.667 28.738 0.019 0.000 1.209 549 Q HN 0.485 nan 8.270 nan 0.000 0.489 550 P HA 0.226 nan 4.420 nan 0.000 0.266 550 P C -0.412 176.881 177.300 -0.013 0.000 1.195 550 P CA 0.277 63.376 63.100 -0.002 0.000 0.768 550 P CB 0.520 32.210 31.700 -0.017 0.000 0.838 551 G N 0.321 109.106 108.800 -0.026 0.000 2.494 551 G HA2 0.145 4.105 3.960 -0.000 0.000 0.308 551 G HA3 0.145 4.105 3.960 -0.000 0.000 0.308 551 G C -0.550 174.302 174.900 -0.079 0.000 1.263 551 G CA -0.410 44.661 45.100 -0.049 0.000 0.840 551 G HN 0.262 nan 8.290 nan 0.000 0.479 552 Y N -0.236 120.106 120.300 0.070 0.000 2.242 552 Y HA 0.159 4.709 4.550 -0.000 0.000 0.291 552 Y C 2.499 178.331 175.900 -0.112 0.000 1.137 552 Y CA 1.342 59.420 58.100 -0.036 0.000 1.181 552 Y CB -0.049 38.359 38.460 -0.086 0.000 0.989 552 Y HN 0.131 nan 8.280 nan 0.000 0.527 553 L N -1.338 119.895 121.223 0.018 0.000 2.700 553 L HA 0.218 4.558 4.340 -0.000 0.000 0.234 553 L C -0.054 176.789 176.870 -0.046 0.000 1.156 553 L CA 0.200 54.993 54.840 -0.078 0.000 0.946 553 L CB 0.195 42.139 42.059 -0.192 0.000 1.216 553 L HN -0.158 nan 8.230 nan 0.000 0.493 554 S N -0.126 115.571 115.700 -0.005 0.000 2.385 554 S HA 0.512 4.982 4.470 -0.000 0.000 0.191 554 S C 0.562 175.158 174.600 -0.006 0.000 1.196 554 S CA 0.079 58.276 58.200 -0.005 0.000 1.178 554 S CB 1.368 64.583 63.200 0.026 0.000 1.258 554 S HN 0.436 nan 8.310 nan 0.000 0.430 555 G N 1.050 109.842 108.800 -0.014 0.000 2.238 555 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 555 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 555 G C 0.830 175.719 174.900 -0.018 0.000 0.996 555 G CA 0.131 45.222 45.100 -0.015 0.000 0.632 555 G HN 1.896 nan 8.290 nan 0.000 0.503 556 G N -1.106 107.686 108.800 -0.012 0.000 2.272 556 G HA2 0.175 4.135 3.960 -0.000 0.000 0.280 556 G HA3 0.175 4.135 3.960 -0.000 0.000 0.280 556 G C 0.632 175.529 174.900 -0.005 0.000 1.067 556 G CA 1.304 46.412 45.100 0.013 0.000 0.902 556 G HN 2.257 nan 8.290 nan 0.000 0.500 557 V N -3.773 116.087 119.914 -0.090 0.000 3.074 557 V HA 0.819 4.939 4.120 -0.000 0.000 0.314 557 V C 0.374 176.228 176.094 -0.400 0.000 1.117 557 V CA -1.320 60.891 62.300 -0.150 0.000 1.014 557 V CB 2.022 33.786 31.823 -0.099 0.000 1.057 557 V HN 0.415 nan 8.190 nan 0.000 0.438 558 E N 3.360 123.356 120.200 -0.340 0.000 2.299 558 E HA 0.282 4.632 4.350 -0.000 0.000 0.272 558 E C -2.288 174.141 176.600 -0.285 0.000 1.043 558 E CA -1.736 54.399 56.400 -0.442 0.000 0.895 558 E CB 0.889 30.503 29.700 -0.144 0.000 1.011 558 E HN 0.668 nan 8.360 nan 0.000 0.432 559 P HA 0.031 nan 4.420 nan 0.000 0.271 559 P C -0.386 176.883 177.300 -0.052 0.000 1.226 559 P CA 0.136 63.157 63.100 -0.131 0.000 0.765 559 P CB 1.247 32.901 31.700 -0.077 0.000 0.835 560 E N 1.172 121.351 120.200 -0.035 0.000 2.158 560 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 560 E C 0.826 177.434 176.600 0.014 0.000 0.982 560 E CA 1.114 57.510 56.400 -0.007 0.000 0.823 560 E CB 0.277 29.970 29.700 -0.011 0.000 0.766 560 E HN 0.519 nan 8.360 nan 0.000 0.468 561 Q N -0.476 119.327 119.800 0.006 0.000 2.389 561 Q HA 0.319 4.659 4.340 -0.000 0.000 0.277 561 Q C -1.096 174.901 176.000 -0.006 0.000 1.082 561 Q CA -0.611 55.202 55.803 0.017 0.000 0.810 561 Q CB 1.897 30.643 28.738 0.014 0.000 1.374 561 Q HN 0.056 nan 8.270 nan 0.000 0.422 562 S N 1.583 117.277 115.700 -0.009 0.000 2.533 562 S HA 0.122 4.591 4.470 -0.000 0.000 0.282 562 S C -0.297 174.251 174.600 -0.087 0.000 1.304 562 S CA -0.016 58.122 58.200 -0.103 0.000 1.063 562 S CB 0.731 63.886 63.200 -0.074 0.000 0.881 562 S HN 0.543 nan 8.310 nan 0.000 0.493 563 S N 5.210 120.834 115.700 -0.126 0.000 2.525 563 S HA 0.520 4.990 4.470 -0.000 0.000 0.278 563 S C -2.536 172.031 174.600 -0.056 0.000 1.234 563 S CA -1.651 56.521 58.200 -0.047 0.000 1.058 563 S CB 0.319 63.529 63.200 0.016 0.000 0.983 563 S HN 0.636 nan 8.310 nan 0.000 0.495 564 P HA 0.165 nan 4.420 nan 0.000 0.268 564 P C -0.642 176.682 177.300 0.041 0.000 1.208 564 P CA 0.026 63.139 63.100 0.022 0.000 0.777 564 P CB 0.476 32.199 31.700 0.038 0.000 0.875 565 T N -1.785 112.797 114.554 0.046 0.000 2.896 565 T HA 0.541 4.891 4.350 -0.000 0.000 0.297 565 T C -0.834 173.891 174.700 0.041 0.000 1.108 565 T CA -0.800 61.337 62.100 0.062 0.000 1.004 565 T CB 0.822 69.729 68.868 0.066 0.000 1.159 565 T HN -0.000 nan 8.240 nan 0.000 0.499 566 V N 2.459 122.383 119.914 0.017 0.000 2.370 566 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 566 V C 0.170 176.234 176.094 -0.050 0.000 1.029 566 V CA -0.683 61.593 62.300 -0.040 0.000 0.870 566 V CB 1.317 33.073 31.823 -0.110 0.000 0.984 566 V HN 0.908 nan 8.190 nan 0.000 0.451 567 E N 5.506 125.691 120.200 -0.025 0.000 1.852 567 E HA 0.160 4.510 4.350 -0.000 0.000 0.276 567 E C 0.875 177.467 176.600 -0.014 0.000 1.163 567 E CA -0.057 56.347 56.400 0.007 0.000 1.117 567 E CB 0.720 30.443 29.700 0.038 0.000 1.124 567 E HN 0.599 nan 8.360 nan 0.000 0.458 568 L N 0.525 121.688 121.223 -0.101 0.000 2.141 568 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 568 L C 0.929 177.918 176.870 0.198 0.000 1.094 568 L CA 0.541 55.264 54.840 -0.195 0.000 0.763 568 L CB -0.217 41.538 42.059 -0.507 0.000 0.908 568 L HN 0.432 nan 8.230 nan 0.000 0.437 569 D N 0.010 120.500 120.400 0.150 0.000 2.811 569 D HA -0.230 4.410 4.640 -0.000 0.000 0.231 569 D C 0.019 176.473 176.300 0.257 0.000 1.157 569 D CA 0.301 54.420 54.000 0.199 0.000 0.716 569 D CB -0.976 39.964 40.800 0.233 0.000 1.077 569 D HN 0.087 nan 8.370 nan 0.000 0.428 570 L N 0.906 122.201 121.223 0.121 0.000 2.515 570 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 570 L C 0.628 177.550 176.870 0.086 0.000 1.131 570 L CA 0.020 54.796 54.840 -0.107 0.000 0.905 570 L CB -0.137 41.789 42.059 -0.222 0.000 1.246 570 L HN 0.314 nan 8.230 nan 0.000 0.463 571 L N 5.964 127.275 121.223 0.147 0.000 3.739 571 L HA -0.307 4.033 4.340 -0.000 0.000 0.442 571 L C 1.273 178.139 176.870 -0.008 0.000 1.241 571 L CA 0.618 55.553 54.840 0.158 0.000 0.819 571 L CB -2.231 39.916 42.059 0.147 0.000 1.679 571 L HN 1.087 nan 8.230 nan 0.000 0.889 572 G N -2.426 106.353 108.800 -0.034 0.000 2.162 572 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 572 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 572 G C -0.200 174.473 174.900 -0.378 0.000 0.976 572 G CA 0.327 45.285 45.100 -0.238 0.000 0.655 572 G HN 0.506 nan 8.290 nan 0.000 0.533 573 W N 0.287 121.612 121.300 0.042 0.000 2.627 573 W HA 0.743 5.403 4.660 -0.000 0.000 0.339 573 W C 0.439 176.951 176.519 -0.013 0.000 1.058 573 W CA -0.744 56.607 57.345 0.010 0.000 1.223 573 W CB 1.844 31.297 29.460 -0.011 0.000 1.389 573 W HN 0.124 nan 8.180 nan 0.000 0.541 574 S N 0.866 116.736 115.700 0.284 0.000 2.739 574 S HA 0.852 5.322 4.470 -0.000 0.000 0.306 574 S C -0.732 173.941 174.600 0.122 0.000 1.115 574 S CA -0.821 57.460 58.200 0.135 0.000 0.985 574 S CB 1.525 64.796 63.200 0.119 0.000 1.133 574 S HN 0.492 nan 8.310 nan 0.000 0.541 575 A N 1.134 123.985 122.820 0.052 0.000 2.318 575 A HA 0.743 5.062 4.320 -0.000 0.000 0.317 575 A C -0.253 177.435 177.584 0.172 0.000 1.159 575 A CA -0.508 51.579 52.037 0.083 0.000 0.799 575 A CB 1.216 20.172 19.000 -0.072 0.000 1.194 575 A HN 0.577 nan 8.150 nan 0.000 0.479 576 T N 0.612 115.327 114.554 0.268 0.000 2.901 576 T HA 0.586 4.936 4.350 -0.000 0.000 0.293 576 T C -1.613 173.311 174.700 0.375 0.000 1.084 576 T CA -0.283 61.994 62.100 0.294 0.000 1.008 576 T CB 1.014 70.008 68.868 0.210 0.000 1.170 576 T HN 0.581 nan 8.240 nan 0.000 0.509 577 Y N 1.786 122.171 120.300 0.142 0.000 2.342 577 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 577 Y C 0.019 175.920 175.900 0.003 0.000 1.067 577 Y CA -0.523 57.550 58.100 -0.045 0.000 1.128 577 Y CB 1.464 39.794 38.460 -0.217 0.000 1.200 577 Y HN 0.515 nan 8.280 nan 0.000 0.464 578 S N 5.405 120.679 115.700 -0.710 0.000 2.429 578 S HA 0.320 4.790 4.470 -0.000 0.000 0.302 578 S C 0.424 174.573 174.600 -0.751 0.000 1.115 578 S CA -0.659 57.241 58.200 -0.499 0.000 1.095 578 S CB 0.771 63.787 63.200 -0.306 0.000 0.987 578 S HN 0.927 nan 8.310 nan 0.000 0.474 579 K N 2.880 123.094 120.400 -0.311 0.000 2.228 579 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 579 K C 0.774 177.304 176.600 -0.116 0.000 1.051 579 K CA 0.891 57.102 56.287 -0.128 0.000 0.960 579 K CB 0.018 32.538 32.500 0.034 0.000 0.743 579 K HN 0.576 nan 8.250 nan 0.000 0.458 580 D N 1.065 121.393 120.400 -0.121 0.000 2.117 580 D HA -0.102 4.537 4.640 -0.000 0.000 0.198 580 D C 1.722 177.957 176.300 -0.108 0.000 0.982 580 D CA 1.122 55.068 54.000 -0.091 0.000 0.828 580 D CB 0.103 40.855 40.800 -0.080 0.000 0.967 580 D HN 0.130 nan 8.370 nan 0.000 0.464 581 L N -0.965 120.160 121.223 -0.163 0.000 2.513 581 L HA 0.220 4.560 4.340 -0.000 0.000 0.222 581 L C 1.451 178.224 176.870 -0.162 0.000 1.096 581 L CA 0.391 55.143 54.840 -0.146 0.000 0.857 581 L CB 0.222 42.195 42.059 -0.144 0.000 1.026 581 L HN 0.098 nan 8.230 nan 0.000 0.469 582 G N 1.705 110.346 108.800 -0.264 0.000 2.153 582 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 582 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 582 G C 0.148 174.935 174.900 -0.189 0.000 0.994 582 G CA 0.739 45.727 45.100 -0.186 0.000 0.698 582 G HN 0.474 nan 8.290 nan 0.000 0.521 583 I N -4.589 115.737 120.570 -0.408 0.000 3.095 583 I HA 0.781 4.951 4.170 -0.000 0.000 0.310 583 I C -0.125 175.830 176.117 -0.270 0.000 1.196 583 I CA -2.344 58.844 61.300 -0.187 0.000 0.985 583 I CB 1.134 39.116 38.000 -0.030 0.000 1.250 583 I HN -0.100 nan 8.210 nan 0.000 0.446 584 Y N 2.754 123.104 120.300 0.083 0.000 2.425 584 Y HA 0.495 5.045 4.550 -0.000 0.000 0.331 584 Y C 0.522 176.447 175.900 0.041 0.000 1.157 584 Y CA -0.129 58.032 58.100 0.101 0.000 1.372 584 Y CB 1.071 39.609 38.460 0.129 0.000 1.253 584 Y HN 0.464 nan 8.280 nan 0.000 0.536 585 V N 1.837 121.883 119.914 0.220 0.000 2.823 585 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 585 V C -2.813 173.415 176.094 0.223 0.000 1.072 585 V CA -3.104 59.299 62.300 0.172 0.000 0.937 585 V CB 1.964 33.870 31.823 0.137 0.000 1.013 585 V HN 0.513 nan 8.190 nan 0.000 0.430 586 P HA 0.430 nan 4.420 nan 0.000 0.278 586 P C -0.929 176.594 177.300 0.371 0.000 1.238 586 P CA -0.186 62.971 63.100 0.095 0.000 0.794 586 P CB 1.684 33.115 31.700 -0.448 0.000 0.955 587 V N 3.667 123.808 119.914 0.378 0.000 2.638 587 V HA 0.172 4.292 4.120 -0.000 0.000 0.306 587 V C 0.275 176.621 176.094 0.420 0.000 1.052 587 V CA -1.079 61.422 62.300 0.335 0.000 0.885 587 V CB 1.907 33.763 31.823 0.055 0.000 0.999 587 V HN 0.446 nan 8.190 nan 0.000 0.424 588 L N 3.400 124.847 121.223 0.373 0.000 2.525 588 L HA 0.207 4.547 4.340 -0.000 0.000 0.278 588 L C 0.551 177.451 176.870 0.051 0.000 1.218 588 L CA 0.525 55.401 54.840 0.060 0.000 0.878 588 L CB 0.123 42.087 42.059 -0.158 0.000 1.127 588 L HN 0.850 nan 8.230 nan 0.000 0.492 589 D N 3.326 123.717 120.400 -0.015 0.000 2.752 589 D HA -0.150 4.490 4.640 -0.000 0.000 0.225 589 D C 1.148 177.472 176.300 0.040 0.000 1.104 589 D CA 0.868 54.883 54.000 0.024 0.000 0.832 589 D CB 0.657 41.452 40.800 -0.008 0.000 1.161 589 D HN 0.632 nan 8.370 nan 0.000 0.505 590 K N 2.748 123.183 120.400 0.057 0.000 2.032 590 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 590 K C 1.510 178.141 176.600 0.052 0.000 1.048 590 K CA 1.489 57.789 56.287 0.023 0.000 0.927 590 K CB 0.065 32.539 32.500 -0.043 0.000 0.712 590 K HN 0.579 nan 8.250 nan 0.000 0.441 591 E N -0.064 120.149 120.200 0.022 0.000 2.051 591 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 591 E C 2.221 178.871 176.600 0.083 0.000 0.991 591 E CA 1.245 57.667 56.400 0.038 0.000 0.799 591 E CB 0.027 29.740 29.700 0.020 0.000 0.748 591 E HN 0.236 nan 8.360 nan 0.000 0.449 592 R N 0.222 120.759 120.500 0.062 0.000 2.083 592 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 592 R C 2.446 178.805 176.300 0.098 0.000 1.137 592 R CA 1.100 57.241 56.100 0.068 0.000 0.951 592 R CB -0.399 29.915 30.300 0.023 0.000 0.851 592 R HN 0.122 nan 8.270 nan 0.000 0.434 593 L N -0.194 121.072 121.223 0.072 0.000 2.012 593 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 593 L C 1.712 178.560 176.870 -0.036 0.000 1.073 593 L CA 1.793 56.638 54.840 0.008 0.000 0.748 593 L CB -0.361 41.672 42.059 -0.044 0.000 0.891 593 L HN 0.040 nan 8.230 nan 0.000 0.431 594 F N -2.123 117.782 119.950 -0.075 0.000 2.512 594 F HA -0.066 4.461 4.527 -0.000 0.000 0.296 594 F C 2.616 178.409 175.800 -0.012 0.000 1.110 594 F CA 1.014 58.975 58.000 -0.066 0.000 1.446 594 F CB -0.885 38.047 39.000 -0.114 0.000 1.092 594 F HN 0.238 nan 8.300 nan 0.000 0.554 595 C N -0.971 118.429 119.300 0.168 0.000 2.457 595 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 595 C C 3.032 178.097 174.990 0.124 0.000 1.309 595 C CA 1.484 60.587 59.018 0.142 0.000 1.735 595 C CB -1.139 26.672 27.740 0.118 0.000 1.992 595 C HN 0.381 nan 8.230 nan 0.000 0.493 596 S N 0.371 116.135 115.700 0.108 0.000 2.387 596 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 596 S C 2.118 176.735 174.600 0.028 0.000 1.026 596 S CA 1.219 59.475 58.200 0.093 0.000 0.972 596 S CB -0.366 62.990 63.200 0.260 0.000 0.814 596 S HN 0.786 nan 8.310 nan 0.000 0.477 597 A N 1.290 124.097 122.820 -0.021 0.000 1.930 597 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 597 A C 2.267 179.800 177.584 -0.085 0.000 1.175 597 A CA 1.628 53.611 52.037 -0.089 0.000 0.627 597 A CB -0.852 18.007 19.000 -0.235 0.000 0.815 597 A HN 0.504 nan 8.150 nan 0.000 0.443 598 A N -1.818 120.959 122.820 -0.071 0.000 1.872 598 A HA 0.171 4.491 4.320 -0.000 0.000 0.214 598 A C 0.542 177.892 177.584 -0.390 0.000 1.187 598 A CA 0.800 52.716 52.037 -0.200 0.000 0.614 598 A CB -0.291 18.622 19.000 -0.144 0.000 0.826 598 A HN 0.465 nan 8.150 nan 0.000 0.442 599 Y N 0.530 120.825 120.300 -0.008 0.000 2.555 599 Y HA 0.363 4.913 4.550 -0.000 0.000 0.326 599 Y C -2.490 173.303 175.900 -0.178 0.000 0.984 599 Y CA -3.181 54.900 58.100 -0.032 0.000 1.298 599 Y CB 1.118 39.612 38.460 0.057 0.000 1.094 599 Y HN 0.174 nan 8.280 nan 0.000 0.500 600 P HA 0.096 nan 4.420 nan 0.000 0.272 600 P C -0.501 176.556 177.300 -0.404 0.000 1.223 600 P CA -0.399 62.580 63.100 -0.201 0.000 0.784 600 P CB 1.382 32.992 31.700 -0.149 0.000 0.923 601 K N 0.741 120.836 120.400 -0.508 0.000 2.258 601 K HA 0.358 4.678 4.320 -0.000 0.000 0.264 601 K C 1.159 177.633 176.600 -0.210 0.000 1.007 601 K CA -0.304 55.601 56.287 -0.637 0.000 0.941 601 K CB 0.188 32.442 32.500 -0.409 0.000 0.966 601 K HN 0.550 nan 8.250 nan 0.000 0.480 602 G N 0.080 108.888 108.800 0.012 0.000 2.634 602 G HA2 0.265 4.225 3.960 -0.000 0.000 0.255 602 G HA3 0.265 4.225 3.960 -0.000 0.000 0.255 602 G C 1.166 176.065 174.900 -0.003 0.000 1.205 602 G CA -0.095 45.143 45.100 0.229 0.000 0.884 602 G HN 0.515 nan 8.290 nan 0.000 0.549 603 V N 0.092 119.947 119.914 -0.099 0.000 2.261 603 V HA 0.343 4.463 4.120 -0.000 0.000 0.246 603 V C 1.597 177.602 176.094 -0.148 0.000 1.047 603 V CA 3.823 65.923 62.300 -0.334 0.000 1.015 603 V CB -1.793 29.836 31.823 -0.322 0.000 0.642 603 V HN 2.307 nan 8.190 nan 0.000 0.446 604 E N -1.097 119.101 120.200 -0.003 0.000 5.278 604 E HA 0.411 4.761 4.350 -0.000 0.000 0.173 604 E C 0.786 177.416 176.600 0.050 0.000 1.365 604 E CA 1.196 57.633 56.400 0.061 0.000 1.205 604 E CB -2.615 27.138 29.700 0.088 0.000 1.015 604 E HN 2.907 nan 8.360 nan 0.000 0.350 605 N N 0.521 119.252 118.700 0.052 0.000 3.886 605 N HA 0.209 4.949 4.740 -0.000 0.000 0.294 605 N C -0.185 175.365 175.510 0.067 0.000 2.109 605 N CA 1.006 54.090 53.050 0.056 0.000 2.630 605 N CB -0.231 38.293 38.487 0.061 0.000 0.502 605 N HN 1.499 nan 8.380 nan 0.000 0.624 606 K N 1.041 121.481 120.400 0.066 0.000 2.705 606 K HA 0.718 5.038 4.320 -0.000 0.000 0.238 606 K C 0.849 177.496 176.600 0.079 0.000 0.996 606 K CA 0.539 56.880 56.287 0.091 0.000 1.007 606 K CB 0.598 33.154 32.500 0.094 0.000 1.206 606 K HN 1.196 nan 8.250 nan 0.000 0.488 607 S N 2.152 117.900 115.700 0.080 0.000 2.078 607 S HA 0.339 4.809 4.470 -0.000 0.000 0.194 607 S C 1.824 176.466 174.600 0.069 0.000 1.346 607 S CA 0.694 58.933 58.200 0.065 0.000 1.309 607 S CB -0.653 62.581 63.200 0.056 0.000 0.721 607 S HN 0.451 nan 8.310 nan 0.000 0.396 608 L N 0.091 121.351 121.223 0.061 0.000 2.362 608 L HA 0.483 4.823 4.340 -0.000 0.000 0.219 608 L C 1.954 178.869 176.870 0.075 0.000 1.134 608 L CA 1.929 56.804 54.840 0.059 0.000 0.807 608 L CB -2.711 39.375 42.059 0.045 0.000 0.927 608 L HN 0.925 nan 8.230 nan 0.000 0.447 609 K N 0.557 121.013 120.400 0.094 0.000 2.163 609 K HA 0.451 4.771 4.320 -0.000 0.000 0.267 609 K C 0.958 177.651 176.600 0.154 0.000 1.098 609 K CA 0.866 57.227 56.287 0.123 0.000 1.062 609 K CB -1.341 31.249 32.500 0.150 0.000 1.033 609 K HN 1.637 nan 8.250 nan 0.000 0.396 610 S N 0.358 116.139 115.700 0.135 0.000 3.307 610 S HA -0.102 4.368 4.470 -0.000 0.000 0.634 610 S C 1.222 175.898 174.600 0.125 0.000 2.711 610 S CA 2.842 61.135 58.200 0.155 0.000 2.940 610 S CB -1.133 62.228 63.200 0.269 0.000 0.331 610 S HN 2.041 nan 8.310 nan 0.000 1.766 611 K N -1.556 118.916 120.400 0.119 0.000 2.941 611 K HA 0.795 5.115 4.320 -0.000 0.000 0.249 611 K C 2.173 178.812 176.600 0.066 0.000 2.165 611 K CA 1.296 57.634 56.287 0.084 0.000 1.282 611 K CB -1.269 31.270 32.500 0.065 0.000 2.449 611 K HN 1.831 nan 8.250 nan 0.000 0.426 612 V N 1.717 121.664 119.914 0.055 0.000 2.667 612 V HA 0.191 4.311 4.120 -0.000 0.000 0.252 612 V C 2.411 178.495 176.094 -0.017 0.000 1.065 612 V CA 2.699 65.021 62.300 0.037 0.000 1.083 612 V CB -1.037 30.821 31.823 0.059 0.000 0.692 612 V HN 0.700 nan 8.190 nan 0.000 0.468 613 G N -0.055 108.714 108.800 -0.051 0.000 2.394 613 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 613 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 613 G C 1.519 176.094 174.900 -0.542 0.000 1.165 613 G CA 1.081 45.959 45.100 -0.370 0.000 0.784 613 G HN 0.409 nan 8.290 nan 0.000 0.535 614 I N 1.814 122.296 120.570 -0.147 0.000 2.226 614 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 614 I C 3.204 179.356 176.117 0.057 0.000 1.100 614 I CA 1.735 63.033 61.300 -0.004 0.000 1.374 614 I CB -1.431 36.714 38.000 0.241 0.000 1.057 614 I HN 0.444 nan 8.210 nan 0.000 0.413 615 E N 0.808 121.029 120.200 0.035 0.000 2.085 615 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 615 E C 1.996 178.603 176.600 0.012 0.000 0.994 615 E CA 1.324 57.753 56.400 0.049 0.000 0.801 615 E CB -0.717 28.994 29.700 0.019 0.000 0.743 615 E HN 0.551 nan 8.360 nan 0.000 0.453 616 Q N -0.648 119.102 119.800 -0.084 0.000 2.079 616 Q HA 0.038 4.378 4.340 -0.000 0.000 0.200 616 Q C 2.624 178.518 176.000 -0.177 0.000 0.974 616 Q CA 1.457 57.198 55.803 -0.104 0.000 0.840 616 Q CB -0.430 28.252 28.738 -0.093 0.000 0.898 616 Q HN 0.604 nan 8.270 nan 0.000 0.430 617 A N 0.132 122.708 122.820 -0.407 0.000 1.902 617 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 617 A C 1.900 179.317 177.584 -0.279 0.000 1.181 617 A CA 1.188 52.859 52.037 -0.611 0.000 0.623 617 A CB -0.928 17.237 19.000 -1.392 0.000 0.818 617 A HN 0.354 nan 8.150 nan 0.000 0.443 618 Y N 0.092 120.340 120.300 -0.087 0.000 2.333 618 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 618 Y C 2.425 178.336 175.900 0.019 0.000 1.144 618 Y CA 1.801 59.949 58.100 0.080 0.000 1.228 618 Y CB -0.010 38.504 38.460 0.090 0.000 0.985 618 Y HN 0.274 nan 8.280 nan 0.000 0.542 619 K N -0.717 119.761 120.400 0.129 0.000 2.103 619 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 619 K C 1.931 178.623 176.600 0.154 0.000 1.052 619 K CA 1.259 57.604 56.287 0.096 0.000 0.945 619 K CB -0.263 32.340 32.500 0.171 0.000 0.722 619 K HN 0.104 nan 8.250 nan 0.000 0.443 620 V N 1.133 121.101 119.914 0.090 0.000 2.287 620 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 620 V C 2.287 178.400 176.094 0.032 0.000 1.053 620 V CA 1.602 63.938 62.300 0.060 0.000 1.027 620 V CB -0.468 31.346 31.823 -0.015 0.000 0.646 620 V HN 0.067 nan 8.190 nan 0.000 0.447 621 V N 0.288 120.228 119.914 0.043 0.000 2.255 621 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 621 V C 2.570 178.684 176.094 0.034 0.000 1.051 621 V CA 2.611 64.935 62.300 0.041 0.000 1.018 621 V CB -0.869 31.044 31.823 0.150 0.000 0.641 621 V HN 0.554 nan 8.190 nan 0.000 0.445 622 R N -0.717 119.798 120.500 0.024 0.000 2.094 622 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 622 R C 2.330 178.562 176.300 -0.113 0.000 1.137 622 R CA 2.414 58.462 56.100 -0.087 0.000 0.943 622 R CB -0.556 29.576 30.300 -0.279 0.000 0.850 622 R HN 0.571 nan 8.270 nan 0.000 0.433 623 Y N 0.406 120.716 120.300 0.017 0.000 2.220 623 Y HA -0.058 4.492 4.550 -0.000 0.000 0.291 623 Y C 2.585 178.463 175.900 -0.036 0.000 1.129 623 Y CA 0.894 58.989 58.100 -0.009 0.000 1.161 623 Y CB 0.132 38.579 38.460 -0.021 0.000 0.997 623 Y HN 0.148 nan 8.280 nan 0.000 0.522 624 E N 0.084 120.322 120.200 0.064 0.000 2.106 624 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 624 E C 2.375 178.896 176.600 -0.132 0.000 0.984 624 E CA 1.007 57.363 56.400 -0.074 0.000 0.806 624 E CB -0.349 29.239 29.700 -0.187 0.000 0.750 624 E HN 0.451 nan 8.360 nan 0.000 0.458 625 A N 1.241 123.994 122.820 -0.112 0.000 1.969 625 A HA -0.088 4.231 4.320 -0.000 0.000 0.218 625 A C 2.317 179.931 177.584 0.050 0.000 1.169 625 A CA 0.694 52.703 52.037 -0.046 0.000 0.635 625 A CB -0.565 18.526 19.000 0.152 0.000 0.810 625 A HN 0.147 nan 8.150 nan 0.000 0.445 626 L N -0.847 120.420 121.223 0.074 0.000 2.017 626 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 626 L C 2.933 179.809 176.870 0.010 0.000 1.073 626 L CA 1.341 56.195 54.840 0.023 0.000 0.745 626 L CB -0.390 41.700 42.059 0.053 0.000 0.894 626 L HN 0.396 nan 8.230 nan 0.000 0.432 627 R N -0.561 119.974 120.500 0.057 0.000 2.083 627 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 627 R C 2.153 178.597 176.300 0.240 0.000 1.137 627 R CA 1.321 57.496 56.100 0.123 0.000 0.951 627 R CB -0.725 29.626 30.300 0.084 0.000 0.851 627 R HN 0.217 nan 8.270 nan 0.000 0.434 628 L N 1.212 122.510 121.223 0.124 0.000 2.083 628 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 628 L C 2.335 179.468 176.870 0.439 0.000 1.083 628 L CA 1.472 56.410 54.840 0.164 0.000 0.752 628 L CB -0.311 41.664 42.059 -0.140 0.000 0.899 628 L HN 0.070 nan 8.230 nan 0.000 0.433 629 V N -3.724 116.387 119.914 0.329 0.000 2.871 629 V HA 0.333 4.453 4.120 -0.000 0.000 0.256 629 V C 1.570 177.925 176.094 0.435 0.000 1.082 629 V CA 1.186 63.753 62.300 0.445 0.000 1.105 629 V CB -0.372 31.407 31.823 -0.074 0.000 0.713 629 V HN 0.494 nan 8.190 nan 0.000 0.473 630 G N -1.280 107.643 108.800 0.204 0.000 4.511 630 G HA2 0.062 4.022 3.960 -0.000 0.000 0.220 630 G HA3 0.062 4.022 3.960 -0.000 0.000 0.220 630 G C 0.940 175.681 174.900 -0.265 0.000 0.733 630 G CA 0.145 45.148 45.100 -0.162 0.000 0.897 630 G HN 0.738 nan 8.290 nan 0.000 0.691 631 G N 1.404 110.178 108.800 -0.043 0.000 2.448 631 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 631 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 631 G C 1.620 176.587 174.900 0.111 0.000 1.127 631 G CA 1.408 46.538 45.100 0.051 0.000 0.766 631 G HN 0.704 nan 8.290 nan 0.000 0.552 632 W N 1.041 122.444 121.300 0.171 0.000 2.421 632 W HA -0.047 4.613 4.660 -0.000 0.000 0.270 632 W C 1.380 178.035 176.519 0.225 0.000 1.233 632 W CA 0.695 58.171 57.345 0.218 0.000 1.226 632 W CB -0.608 28.930 29.460 0.130 0.000 1.121 632 W HN 0.278 nan 8.180 nan 0.000 0.579 633 N N -0.100 118.299 118.700 -0.502 0.000 2.463 633 N HA -0.074 4.666 4.740 -0.000 0.000 0.181 633 N C -0.766 174.404 175.510 -0.567 0.000 1.078 633 N CA 0.453 53.108 53.050 -0.658 0.000 0.902 633 N CB -0.405 37.331 38.487 -1.252 0.000 0.970 633 N HN 0.058 nan 8.380 nan 0.000 0.451 634 Y N 0.237 120.529 120.300 -0.013 0.000 2.575 634 Y HA 0.352 4.902 4.550 -0.000 0.000 0.326 634 Y C -1.505 174.457 175.900 0.104 0.000 0.979 634 Y CA -2.259 55.885 58.100 0.073 0.000 1.286 634 Y CB 1.676 40.225 38.460 0.149 0.000 1.093 634 Y HN 0.036 nan 8.280 nan 0.000 0.501 635 P HA -0.252 nan 4.420 nan 0.000 0.216 635 P C 1.469 178.865 177.300 0.160 0.000 1.157 635 P CA 1.641 64.827 63.100 0.142 0.000 0.880 635 P CB 0.666 32.428 31.700 0.103 0.000 0.791 636 L N -1.735 119.600 121.223 0.187 0.000 2.072 636 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 636 L C 2.684 179.643 176.870 0.150 0.000 1.079 636 L CA 0.859 55.803 54.840 0.172 0.000 0.752 636 L CB -0.861 41.312 42.059 0.190 0.000 0.906 636 L HN -0.025 nan 8.230 nan 0.000 0.436 637 L N 0.553 121.874 121.223 0.164 0.000 2.056 637 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 637 L C 2.119 179.041 176.870 0.086 0.000 1.078 637 L CA 1.962 56.843 54.840 0.069 0.000 0.749 637 L CB -0.780 41.239 42.059 -0.066 0.000 0.901 637 L HN 0.271 nan 8.230 nan 0.000 0.433 638 N N -0.409 118.380 118.700 0.149 0.000 2.069 638 N HA -0.286 4.454 4.740 -0.000 0.000 0.191 638 N C 1.920 177.515 175.510 0.143 0.000 1.031 638 N CA 1.810 54.967 53.050 0.178 0.000 0.852 638 N CB -0.173 38.477 38.487 0.270 0.000 1.018 638 N HN 0.232 nan 8.380 nan 0.000 0.423 639 K N 0.045 120.521 120.400 0.128 0.000 2.103 639 K HA 0.192 4.512 4.320 -0.000 0.000 0.204 639 K C 1.758 178.389 176.600 0.052 0.000 1.052 639 K CA 1.219 57.564 56.287 0.097 0.000 0.945 639 K CB -0.649 31.910 32.500 0.099 0.000 0.722 639 K HN 0.270 nan 8.250 nan 0.000 0.443 640 A N -0.030 122.818 122.820 0.045 0.000 1.898 640 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 640 A C 2.471 179.987 177.584 -0.113 0.000 1.181 640 A CA 1.604 53.635 52.037 -0.011 0.000 0.620 640 A CB -1.107 17.904 19.000 0.019 0.000 0.819 640 A HN 0.485 nan 8.150 nan 0.000 0.442 641 C N -0.675 118.594 119.300 -0.053 0.000 2.429 641 C HA -0.075 4.385 4.460 -0.000 0.000 0.277 641 C C 2.706 177.625 174.990 -0.118 0.000 1.262 641 C CA 1.368 60.343 59.018 -0.072 0.000 1.733 641 C CB -0.914 26.899 27.740 0.122 0.000 2.010 641 C HN 0.686 nan 8.230 nan 0.000 0.483 642 K N 0.791 121.171 120.400 -0.034 0.000 2.057 642 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 642 K C 1.756 178.313 176.600 -0.071 0.000 1.049 642 K CA 1.553 57.826 56.287 -0.024 0.000 0.931 642 K CB -0.210 32.310 32.500 0.033 0.000 0.714 642 K HN 0.446 nan 8.250 nan 0.000 0.440 643 N N 1.216 119.863 118.700 -0.090 0.000 2.106 643 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 643 N C 1.488 176.888 175.510 -0.184 0.000 1.029 643 N CA 1.216 54.202 53.050 -0.108 0.000 0.848 643 N CB -0.617 37.819 38.487 -0.084 0.000 1.007 643 N HN 0.225 nan 8.380 nan 0.000 0.423 644 N N 1.120 119.623 118.700 -0.328 0.000 2.120 644 N HA -0.053 4.687 4.740 -0.000 0.000 0.188 644 N C 1.637 176.941 175.510 -0.342 0.000 1.024 644 N CA 1.268 54.027 53.050 -0.485 0.000 0.852 644 N CB -0.509 37.328 38.487 -1.082 0.000 1.003 644 N HN 0.247 nan 8.380 nan 0.000 0.424 645 A N 0.353 123.013 122.820 -0.267 0.000 1.873 645 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 645 A C 2.369 179.922 177.584 -0.051 0.000 1.186 645 A CA 1.828 53.837 52.037 -0.047 0.000 0.616 645 A CB -1.247 17.763 19.000 0.017 0.000 0.823 645 A HN 0.349 nan 8.150 nan 0.000 0.442 646 G N -0.593 108.166 108.800 -0.068 0.000 2.432 646 G HA2 0.014 3.974 3.960 -0.000 0.000 0.219 646 G HA3 0.014 3.974 3.960 -0.000 0.000 0.219 646 G C 1.671 176.545 174.900 -0.044 0.000 1.135 646 G CA 1.427 46.498 45.100 -0.048 0.000 0.767 646 G HN 0.778 nan 8.290 nan 0.000 0.550 647 A N 1.137 123.916 122.820 -0.068 0.000 1.873 647 A HA 0.327 4.647 4.320 -0.000 0.000 0.215 647 A C 2.806 180.374 177.584 -0.026 0.000 1.186 647 A CA 2.142 54.143 52.037 -0.060 0.000 0.616 647 A CB -0.748 18.191 19.000 -0.102 0.000 0.823 647 A HN 0.722 nan 8.150 nan 0.000 0.442 648 A N -0.406 122.397 122.820 -0.029 0.000 1.930 648 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 648 A C 2.236 179.825 177.584 0.008 0.000 1.175 648 A CA 1.625 53.662 52.037 0.001 0.000 0.627 648 A CB -0.474 18.526 19.000 0.000 0.000 0.815 648 A HN 0.552 nan 8.150 nan 0.000 0.443 649 R N -0.385 120.108 120.500 -0.011 0.000 2.073 649 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 649 R C 2.371 178.669 176.300 -0.003 0.000 1.134 649 R CA 1.621 57.712 56.100 -0.016 0.000 0.952 649 R CB -0.247 30.041 30.300 -0.020 0.000 0.850 649 R HN 0.499 nan 8.270 nan 0.000 0.433 650 R N -0.927 119.578 120.500 0.008 0.000 2.092 650 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 650 R C 2.463 178.783 176.300 0.033 0.000 1.119 650 R CA 1.520 57.629 56.100 0.015 0.000 0.970 650 R CB -0.597 29.711 30.300 0.012 0.000 0.864 650 R HN 0.490 nan 8.270 nan 0.000 0.440 651 H N 1.087 120.129 119.070 -0.047 0.000 2.321 651 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 651 H C 2.026 177.325 175.328 -0.048 0.000 1.087 651 H CA 1.604 57.623 56.048 -0.049 0.000 1.319 651 H CB 0.079 29.802 29.762 -0.064 0.000 1.379 651 H HN 0.124 nan 8.280 nan 0.000 0.501 652 L N 0.738 121.872 121.223 -0.148 0.000 2.056 652 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 652 L C 3.216 180.047 176.870 -0.065 0.000 1.078 652 L CA 1.535 56.270 54.840 -0.175 0.000 0.749 652 L CB -0.754 41.207 42.059 -0.163 0.000 0.901 652 L HN 0.452 nan 8.230 nan 0.000 0.433 653 E N 0.504 120.684 120.200 -0.034 0.000 2.153 653 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 653 E C 2.216 178.801 176.600 -0.024 0.000 0.988 653 E CA 1.392 57.788 56.400 -0.008 0.000 0.811 653 E CB -0.658 29.041 29.700 -0.002 0.000 0.746 653 E HN 0.592 nan 8.360 nan 0.000 0.466 654 A N -0.047 122.742 122.820 -0.053 0.000 2.016 654 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 654 A C 2.192 179.732 177.584 -0.074 0.000 1.162 654 A CA 1.593 53.598 52.037 -0.053 0.000 0.662 654 A CB -0.085 18.887 19.000 -0.046 0.000 0.812 654 A HN 0.350 nan 8.150 nan 0.000 0.450 655 K N -1.279 119.047 120.400 -0.124 0.000 2.365 655 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 655 K C 0.896 177.483 176.600 -0.021 0.000 1.042 655 K CA 0.716 56.937 56.287 -0.111 0.000 0.987 655 K CB -0.092 32.275 32.500 -0.222 0.000 0.779 655 K HN 0.639 nan 8.250 nan 0.000 0.484 656 G N 0.956 109.758 108.800 0.004 0.000 2.149 656 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.235 656 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.235 656 G C -0.229 174.703 174.900 0.054 0.000 1.018 656 G CA -0.135 44.977 45.100 0.021 0.000 0.728 656 G HN 0.298 nan 8.290 nan 0.000 0.508 657 F N 2.384 122.291 119.950 -0.071 0.000 2.495 657 F HA 0.516 5.043 4.527 -0.000 0.000 0.365 657 F C -1.010 174.768 175.800 -0.038 0.000 1.090 657 F CA -1.855 56.106 58.000 -0.065 0.000 1.235 657 F CB 0.930 39.867 39.000 -0.106 0.000 1.119 657 F HN 0.013 nan 8.300 nan 0.000 0.562 658 P HA 0.001 nan 4.420 nan 0.000 0.241 658 P C 0.633 177.868 177.300 -0.108 0.000 1.760 658 P CA 0.146 63.088 63.100 -0.264 0.000 1.081 658 P CB 0.330 31.848 31.700 -0.303 0.000 1.975 659 L N 1.786 123.099 121.223 0.151 0.000 2.093 659 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 659 L C 1.694 178.702 176.870 0.230 0.000 1.085 659 L CA 1.919 56.938 54.840 0.297 0.000 0.755 659 L CB -0.573 41.621 42.059 0.224 0.000 0.904 659 L HN 0.035 nan 8.230 nan 0.000 0.435 660 D N 0.182 120.660 120.400 0.130 0.000 2.084 660 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 660 D C 2.144 178.511 176.300 0.111 0.000 0.990 660 D CA 1.724 55.786 54.000 0.103 0.000 0.826 660 D CB -0.276 40.558 40.800 0.057 0.000 0.971 660 D HN 0.601 nan 8.370 nan 0.000 0.453 661 E N 0.722 120.970 120.200 0.080 0.000 2.153 661 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 661 E C 1.747 178.404 176.600 0.095 0.000 0.988 661 E CA 0.701 57.135 56.400 0.056 0.000 0.811 661 E CB -1.201 28.502 29.700 0.006 0.000 0.746 661 E HN 0.363 nan 8.360 nan 0.000 0.466 662 F N 0.549 120.507 119.950 0.013 0.000 2.113 662 F HA 0.043 4.570 4.527 -0.000 0.000 0.297 662 F C 2.032 177.876 175.800 0.073 0.000 1.103 662 F CA 1.485 59.519 58.000 0.056 0.000 1.248 662 F CB 0.038 39.143 39.000 0.175 0.000 0.999 662 F HN 0.132 nan 8.300 nan 0.000 0.475 663 L N 0.120 121.508 121.223 0.275 0.000 2.650 663 L HA 0.049 4.389 4.340 -0.000 0.000 0.235 663 L C 2.411 179.408 176.870 0.212 0.000 1.149 663 L CA 0.369 55.357 54.840 0.246 0.000 0.887 663 L CB -1.104 41.104 42.059 0.249 0.000 1.021 663 L HN 0.234 nan 8.230 nan 0.000 0.441 664 A N 0.712 123.585 122.820 0.089 0.000 1.948 664 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 664 A C 1.183 178.767 177.584 -0.000 0.000 1.177 664 A CA 1.555 53.622 52.037 0.050 0.000 0.636 664 A CB -0.160 18.845 19.000 0.008 0.000 0.815 664 A HN 0.452 nan 8.150 nan 0.000 0.449 665 E N -0.337 119.828 120.200 -0.058 0.000 3.898 665 E HA 0.131 4.481 4.350 -0.000 0.000 0.219 665 E C 0.610 177.113 176.600 -0.162 0.000 1.207 665 E CA -0.428 55.882 56.400 -0.150 0.000 1.240 665 E CB -0.046 29.575 29.700 -0.131 0.000 1.239 665 E HN 0.768 nan 8.360 nan 0.000 0.422 666 W N 0.162 121.408 121.300 -0.090 0.000 2.421 666 W HA -0.139 4.521 4.660 -0.000 0.000 0.270 666 W C 1.312 177.807 176.519 -0.040 0.000 1.233 666 W CA 0.856 58.147 57.345 -0.090 0.000 1.226 666 W CB -0.660 28.769 29.460 -0.052 0.000 1.121 666 W HN 0.309 nan 8.180 nan 0.000 0.579 667 S N 1.710 116.996 115.700 -0.690 0.000 2.387 667 S HA -0.241 4.229 4.470 -0.000 0.000 0.230 667 S C 1.750 176.258 174.600 -0.154 0.000 1.035 667 S CA 2.084 59.933 58.200 -0.585 0.000 1.014 667 S CB -0.241 62.597 63.200 -0.602 0.000 0.836 667 S HN 0.297 nan 8.310 nan 0.000 0.466 668 E N 0.790 120.923 120.200 -0.111 0.000 2.285 668 E HA 0.034 4.384 4.350 -0.000 0.000 0.194 668 E C 1.938 178.562 176.600 0.040 0.000 0.997 668 E CA 0.528 56.909 56.400 -0.032 0.000 0.845 668 E CB -0.319 29.352 29.700 -0.048 0.000 0.782 668 E HN 0.559 nan 8.360 nan 0.000 0.491 669 L N 0.389 121.655 121.223 0.073 0.000 2.446 669 L HA 0.105 4.445 4.340 -0.000 0.000 0.219 669 L C 1.371 178.386 176.870 0.241 0.000 1.116 669 L CA 0.034 54.975 54.840 0.167 0.000 0.844 669 L CB 0.164 42.255 42.059 0.055 0.000 0.970 669 L HN -0.119 nan 8.230 nan 0.000 0.457 670 S N -0.125 115.713 115.700 0.230 0.000 2.565 670 S HA 0.142 4.612 4.470 -0.000 0.000 0.290 670 S C 0.977 175.643 174.600 0.111 0.000 1.150 670 S CA -0.686 57.653 58.200 0.231 0.000 1.058 670 S CB 1.433 64.880 63.200 0.412 0.000 1.032 670 S HN 0.420 nan 8.310 nan 0.000 0.510 671 E N 2.344 122.504 120.200 -0.066 0.000 2.418 671 E HA -0.032 4.318 4.350 -0.000 0.000 0.197 671 E C 0.144 176.574 176.600 -0.283 0.000 1.026 671 E CA 1.094 57.342 56.400 -0.252 0.000 0.862 671 E CB -0.254 29.160 29.700 -0.476 0.000 0.799 671 E HN 0.655 nan 8.360 nan 0.000 0.518 672 F N 0.484 120.567 119.950 0.222 0.000 2.678 672 F HA 0.411 4.938 4.527 -0.000 0.000 0.305 672 F C 2.145 178.197 175.800 0.421 0.000 1.090 672 F CA -0.093 58.099 58.000 0.319 0.000 1.272 672 F CB 0.398 39.653 39.000 0.424 0.000 1.060 672 F HN 0.120 nan 8.300 nan 0.000 0.576 673 G N 0.079 109.132 108.800 0.421 0.000 2.462 673 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 673 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 673 G C 1.607 176.605 174.900 0.163 0.000 1.121 673 G CA 0.934 46.201 45.100 0.278 0.000 0.758 673 G HN 0.432 nan 8.290 nan 0.000 0.559 674 E N 0.532 120.815 120.200 0.138 0.000 2.085 674 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 674 E C 2.658 179.230 176.600 -0.047 0.000 0.994 674 E CA 1.045 57.475 56.400 0.050 0.000 0.801 674 E CB -0.258 29.487 29.700 0.075 0.000 0.743 674 E HN 0.363 nan 8.360 nan 0.000 0.453 675 A N -0.276 122.501 122.820 -0.071 0.000 2.121 675 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 675 A C 1.034 178.083 177.584 -0.892 0.000 1.154 675 A CA 0.638 52.463 52.037 -0.353 0.000 0.679 675 A CB -0.295 18.577 19.000 -0.212 0.000 0.795 675 A HN 0.318 nan 8.150 nan 0.000 0.458 676 F N -0.145 119.550 119.950 -0.425 0.000 2.708 676 F HA 0.310 4.837 4.527 -0.000 0.000 0.300 676 F C 0.514 175.961 175.800 -0.589 0.000 1.118 676 F CA -0.573 56.944 58.000 -0.805 0.000 1.307 676 F CB 0.147 38.883 39.000 -0.440 0.000 0.986 676 F HN 0.104 nan 8.300 nan 0.000 0.522 677 E N 0.295 120.329 120.200 -0.277 0.000 2.290 677 E HA 0.405 4.755 4.350 -0.000 0.000 0.277 677 E C 1.199 177.877 176.600 0.131 0.000 1.035 677 E CA 0.664 57.021 56.400 -0.070 0.000 0.873 677 E CB 0.633 30.308 29.700 -0.041 0.000 1.029 677 E HN 0.468 nan 8.360 nan 0.000 0.419 678 G N 3.684 112.552 108.800 0.113 0.000 2.168 678 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 678 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 678 G C 0.469 175.519 174.900 0.249 0.000 0.977 678 G CA 0.360 45.552 45.100 0.153 0.000 0.659 678 G HN 0.564 nan 8.290 nan 0.000 0.533 679 F N 0.744 120.676 119.950 -0.031 0.000 2.456 679 F HA 0.184 4.710 4.527 -0.000 0.000 0.298 679 F C 2.131 177.926 175.800 -0.008 0.000 1.104 679 F CA 1.257 59.253 58.000 -0.007 0.000 1.435 679 F CB -0.774 38.249 39.000 0.038 0.000 1.078 679 F HN 0.997 nan 8.300 nan 0.000 0.546 680 N N 1.126 119.917 118.700 0.152 0.000 2.727 680 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 680 N C 0.020 175.596 175.510 0.110 0.000 1.048 680 N CA 1.113 54.209 53.050 0.077 0.000 0.714 680 N CB -2.867 35.644 38.487 0.040 0.000 0.959 680 N HN 0.528 nan 8.380 nan 0.000 0.544 681 I N -4.432 116.246 120.570 0.181 0.000 2.493 681 I HA 0.602 4.772 4.170 -0.000 0.000 0.298 681 I C 0.352 176.662 176.117 0.322 0.000 0.998 681 I CA -1.350 60.070 61.300 0.201 0.000 1.137 681 I CB 1.727 39.844 38.000 0.195 0.000 1.310 681 I HN 0.128 nan 8.210 nan 0.000 0.445 682 K N 4.362 124.879 120.400 0.195 0.000 2.258 682 K HA 0.377 4.697 4.320 -0.000 0.000 0.264 682 K C -0.642 175.935 176.600 -0.038 0.000 1.007 682 K CA -0.437 55.940 56.287 0.149 0.000 0.941 682 K CB 0.869 33.394 32.500 0.042 0.000 0.966 682 K HN 0.545 nan 8.250 nan 0.000 0.480 683 L N 3.239 124.258 121.223 -0.341 0.000 2.433 683 L HA 0.025 4.365 4.340 -0.000 0.000 0.284 683 L C 0.232 176.900 176.870 -0.336 0.000 1.120 683 L CA 0.385 54.844 54.840 -0.636 0.000 0.879 683 L CB 0.072 41.543 42.059 -0.981 0.000 1.232 683 L HN 0.888 nan 8.230 nan 0.000 0.454 684 T N -0.754 113.637 114.554 -0.272 0.000 3.177 684 T HA 0.019 4.369 4.350 -0.000 0.000 0.262 684 T C 0.552 175.130 174.700 -0.204 0.000 0.959 684 T CA -0.141 61.844 62.100 -0.190 0.000 0.996 684 T CB 0.449 69.235 68.868 -0.136 0.000 1.185 684 T HN 0.144 nan 8.240 nan 0.000 0.486 685 V N 3.913 123.681 119.914 -0.242 0.000 6.029 685 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 685 V C 0.549 176.422 176.094 -0.369 0.000 0.637 685 V CA 0.851 62.973 62.300 -0.297 0.000 0.603 685 V CB -2.658 29.019 31.823 -0.243 0.000 0.423 685 V HN 0.891 nan 8.190 nan 0.000 0.520 686 T N -1.969 112.394 114.554 -0.319 0.000 2.841 686 T HA 0.625 4.975 4.350 -0.000 0.000 0.276 686 T C 1.067 175.603 174.700 -0.273 0.000 1.003 686 T CA 0.143 62.081 62.100 -0.270 0.000 0.995 686 T CB 1.865 70.660 68.868 -0.121 0.000 1.260 686 T HN 0.442 nan 8.240 nan 0.000 0.581 687 S N -0.279 115.378 115.700 -0.072 0.000 2.368 687 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 687 S C 1.741 176.291 174.600 -0.083 0.000 1.030 687 S CA 1.765 59.960 58.200 -0.008 0.000 0.999 687 S CB -0.827 62.421 63.200 0.081 0.000 0.844 687 S HN 0.725 nan 8.310 nan 0.000 0.459 688 E N 1.354 121.509 120.200 -0.075 0.000 2.028 688 E HA -0.067 4.282 4.350 -0.000 0.000 0.191 688 E C 2.538 179.078 176.600 -0.099 0.000 0.988 688 E CA 1.482 57.837 56.400 -0.075 0.000 0.799 688 E CB -0.513 29.155 29.700 -0.054 0.000 0.755 688 E HN 0.679 nan 8.360 nan 0.000 0.447 689 S N 0.475 116.103 115.700 -0.120 0.000 2.383 689 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 689 S C 2.062 176.567 174.600 -0.159 0.000 1.030 689 S CA 0.933 59.057 58.200 -0.126 0.000 1.002 689 S CB -0.524 62.591 63.200 -0.142 0.000 0.829 689 S HN 0.179 nan 8.310 nan 0.000 0.467 690 L N 1.022 122.106 121.223 -0.231 0.000 2.093 690 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 690 L C 3.126 179.862 176.870 -0.223 0.000 1.085 690 L CA 1.086 55.744 54.840 -0.303 0.000 0.755 690 L CB -0.660 41.093 42.059 -0.510 0.000 0.904 690 L HN 0.505 nan 8.230 nan 0.000 0.435 691 A N -0.236 122.481 122.820 -0.172 0.000 1.897 691 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 691 A C 2.150 179.681 177.584 -0.089 0.000 1.181 691 A CA 1.640 53.602 52.037 -0.124 0.000 0.620 691 A CB -0.382 18.558 19.000 -0.100 0.000 0.821 691 A HN 0.398 nan 8.150 nan 0.000 0.443 692 E N -0.075 120.075 120.200 -0.082 0.000 2.077 692 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 692 E C 1.730 178.301 176.600 -0.049 0.000 0.989 692 E CA 1.362 57.725 56.400 -0.061 0.000 0.800 692 E CB -0.413 29.254 29.700 -0.054 0.000 0.746 692 E HN 0.410 nan 8.360 nan 0.000 0.452 693 L N 0.558 121.750 121.223 -0.051 0.000 2.191 693 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 693 L C 1.229 178.123 176.870 0.040 0.000 1.103 693 L CA 1.672 56.499 54.840 -0.022 0.000 0.769 693 L CB -0.231 41.763 42.059 -0.108 0.000 0.908 693 L HN 0.150 nan 8.230 nan 0.000 0.438 694 N N -0.758 117.950 118.700 0.014 0.000 2.250 694 N HA -0.003 4.737 4.740 -0.000 0.000 0.190 694 N C 0.117 175.629 175.510 0.003 0.000 1.116 694 N CA -0.020 53.059 53.050 0.047 0.000 0.881 694 N CB 0.317 38.817 38.487 0.022 0.000 1.006 694 N HN 0.303 nan 8.380 nan 0.000 0.491 695 K N 3.016 123.401 120.400 -0.025 0.000 2.437 695 K HA 0.049 4.369 4.320 -0.000 0.000 0.277 695 K C -2.467 174.116 176.600 -0.030 0.000 1.073 695 K CA -1.077 55.189 56.287 -0.035 0.000 1.105 695 K CB 0.397 32.870 32.500 -0.045 0.000 0.881 695 K HN -0.122 nan 8.250 nan 0.000 0.475 696 P HA -0.063 nan 4.420 nan 0.000 0.264 696 P C -1.136 176.147 177.300 -0.028 0.000 1.183 696 P CA -0.122 62.969 63.100 -0.015 0.000 0.763 696 P CB 0.710 32.410 31.700 -0.001 0.000 0.807 697 V N 5.907 125.800 119.914 -0.036 0.000 2.588 697 V HA 0.338 4.458 4.120 -0.000 0.000 0.304 697 V C -2.089 173.985 176.094 -0.033 0.000 1.042 697 V CA -2.033 60.239 62.300 -0.048 0.000 0.877 697 V CB 1.703 33.475 31.823 -0.084 0.000 0.996 697 V HN 0.528 nan 8.190 nan 0.000 0.425 698 P HA 0.109 nan 4.420 nan 0.000 0.261 698 P C -2.599 174.691 177.300 -0.018 0.000 1.173 698 P CA -0.567 62.526 63.100 -0.013 0.000 0.760 698 P CB -0.409 31.284 31.700 -0.012 0.000 0.783 699 P HA 0.068 nan 4.420 nan 0.000 0.269 699 P C 0.046 177.341 177.300 -0.007 0.000 1.209 699 P CA 0.105 63.204 63.100 -0.003 0.000 0.776 699 P CB 0.325 32.037 31.700 0.020 0.000 0.876 700 K N 3.544 123.936 120.400 -0.014 0.000 2.448 700 K HA 0.129 4.449 4.320 -0.000 0.000 0.278 700 K C -2.052 174.545 176.600 -0.005 0.000 1.009 700 K CA -1.397 54.880 56.287 -0.017 0.000 0.995 700 K CB -0.749 31.736 32.500 -0.025 0.000 0.917 700 K HN 0.396 nan 8.250 nan 0.000 0.481 701 P HA 0.088 nan 4.420 nan 0.000 0.268 701 P C -2.365 174.934 177.300 -0.002 0.000 1.204 701 P CA -1.004 62.095 63.100 -0.001 0.000 0.768 701 P CB -0.294 31.402 31.700 -0.006 0.000 0.842 702 P HA 0.132 nan 4.420 nan 0.000 0.271 702 P C -0.488 176.809 177.300 -0.006 0.000 1.218 702 P CA -0.049 63.057 63.100 0.009 0.000 0.780 702 P CB 0.366 32.079 31.700 0.022 0.000 0.901 703 N N 1.997 120.687 118.700 -0.016 0.000 2.696 703 N HA 0.293 5.033 4.740 -0.000 0.000 0.246 703 N C -1.612 173.871 175.510 -0.045 0.000 1.057 703 N CA -0.489 52.538 53.050 -0.038 0.000 0.867 703 N CB 0.277 38.727 38.487 -0.062 0.000 1.141 703 N HN -0.019 nan 8.380 nan 0.000 0.517 704 V N 2.932 122.826 119.914 -0.033 0.000 2.448 704 V HA 0.298 4.418 4.120 -0.000 0.000 0.295 704 V C 1.222 177.287 176.094 -0.048 0.000 1.025 704 V CA -0.907 61.371 62.300 -0.036 0.000 0.859 704 V CB 1.601 33.421 31.823 -0.005 0.000 0.988 704 V HN 0.536 nan 8.190 nan 0.000 0.431 705 N N 3.277 121.932 118.700 -0.075 0.000 2.364 705 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 705 N C 0.740 176.222 175.510 -0.046 0.000 1.022 705 N CA 0.865 53.868 53.050 -0.079 0.000 0.883 705 N CB 0.163 38.578 38.487 -0.120 0.000 0.965 705 N HN 0.817 nan 8.380 nan 0.000 0.438 706 R N -0.276 120.206 120.500 -0.030 0.000 2.892 706 R HA 0.557 4.897 4.340 -0.000 0.000 0.265 706 R C -2.592 173.712 176.300 0.006 0.000 1.025 706 R CA -1.804 54.292 56.100 -0.006 0.000 0.982 706 R CB -0.128 30.174 30.300 0.003 0.000 1.185 706 R HN -0.126 nan 8.270 nan 0.000 0.484 707 P HA -0.083 nan 4.420 nan 0.000 0.261 707 P C -0.026 177.290 177.300 0.027 0.000 1.165 707 P CA -0.067 63.045 63.100 0.021 0.000 0.759 707 P CB 0.257 31.973 31.700 0.026 0.000 0.772 708 V N 4.375 124.306 119.914 0.027 0.000 2.540 708 V HA -0.034 4.086 4.120 -0.000 0.000 0.297 708 V C 1.180 177.298 176.094 0.041 0.000 1.024 708 V CA 0.238 62.559 62.300 0.034 0.000 1.105 708 V CB -0.248 31.595 31.823 0.033 0.000 0.938 708 V HN 0.590 nan 8.190 nan 0.000 0.482 709 N N 3.666 122.395 118.700 0.048 0.000 2.434 709 N HA 0.197 4.937 4.740 -0.000 0.000 0.272 709 N C 0.645 176.188 175.510 0.055 0.000 1.040 709 N CA 0.186 53.266 53.050 0.051 0.000 0.956 709 N CB 1.686 40.207 38.487 0.056 0.000 1.108 709 N HN 0.832 nan 8.380 nan 0.000 0.481 710 T N -0.983 113.602 114.554 0.053 0.000 3.091 710 T HA 0.223 4.573 4.350 -0.000 0.000 0.277 710 T C 1.409 176.143 174.700 0.058 0.000 0.996 710 T CA -0.085 62.050 62.100 0.058 0.000 0.897 710 T CB 0.163 69.063 68.868 0.054 0.000 1.109 710 T HN 0.338 nan 8.240 nan 0.000 0.534 711 G N 1.301 110.133 108.800 0.053 0.000 2.534 711 G HA2 0.435 4.395 3.960 -0.000 0.000 0.217 711 G HA3 0.435 4.395 3.960 -0.000 0.000 0.217 711 G C 1.030 175.961 174.900 0.053 0.000 1.128 711 G CA 0.101 45.229 45.100 0.047 0.000 0.784 711 G HN 1.166 nan 8.290 nan 0.000 0.542 712 G N -1.189 107.651 108.800 0.066 0.000 2.781 712 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.683 712 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.683 712 G C 0.405 175.344 174.900 0.065 0.000 1.390 712 G CA -0.126 45.022 45.100 0.079 0.000 0.850 712 G HN 0.743 nan 8.290 nan 0.000 0.557 713 L N 0.599 121.869 121.223 0.078 0.000 2.072 713 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 713 L C 2.791 179.684 176.870 0.038 0.000 1.079 713 L CA 2.813 57.691 54.840 0.063 0.000 0.752 713 L CB -0.521 41.592 42.059 0.090 0.000 0.906 713 L HN 0.786 nan 8.230 nan 0.000 0.436 714 K N -0.563 119.857 120.400 0.033 0.000 2.089 714 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 714 K C 1.912 178.501 176.600 -0.017 0.000 1.048 714 K CA 1.650 57.930 56.287 -0.013 0.000 0.926 714 K CB -0.214 32.267 32.500 -0.032 0.000 0.714 714 K HN 0.487 nan 8.250 nan 0.000 0.448 715 A N 0.370 123.190 122.820 -0.001 0.000 1.898 715 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 715 A C 2.203 179.785 177.584 -0.003 0.000 1.181 715 A CA 1.426 53.462 52.037 -0.001 0.000 0.620 715 A CB -0.445 18.561 19.000 0.011 0.000 0.819 715 A HN 0.168 nan 8.150 nan 0.000 0.442 716 V N 0.010 119.925 119.914 0.002 0.000 2.490 716 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 716 V C 2.710 178.786 176.094 -0.030 0.000 1.061 716 V CA 2.189 64.484 62.300 -0.009 0.000 1.064 716 V CB -0.796 31.026 31.823 -0.002 0.000 0.670 716 V HN 0.535 nan 8.190 nan 0.000 0.461 717 S N 0.671 116.356 115.700 -0.025 0.000 2.382 717 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 717 S C 1.868 176.438 174.600 -0.050 0.000 1.027 717 S CA 1.464 59.642 58.200 -0.037 0.000 0.991 717 S CB -0.368 62.815 63.200 -0.027 0.000 0.823 717 S HN 0.650 nan 8.310 nan 0.000 0.469 718 N N 1.775 120.451 118.700 -0.040 0.000 2.250 718 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 718 N C 1.785 177.281 175.510 -0.023 0.000 1.017 718 N CA 1.047 54.075 53.050 -0.037 0.000 0.866 718 N CB -0.528 37.938 38.487 -0.034 0.000 0.985 718 N HN 0.393 nan 8.380 nan 0.000 0.429 719 A N 0.637 123.450 122.820 -0.013 0.000 2.019 719 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 719 A C 2.037 179.633 177.584 0.020 0.000 1.164 719 A CA 0.978 53.022 52.037 0.012 0.000 0.644 719 A CB -0.288 18.724 19.000 0.021 0.000 0.805 719 A HN 0.097 nan 8.150 nan 0.000 0.449 720 L N -0.156 121.045 121.223 -0.037 0.000 2.307 720 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 720 L C 2.389 179.228 176.870 -0.052 0.000 1.099 720 L CA 2.022 56.809 54.840 -0.089 0.000 0.816 720 L CB -0.421 41.507 42.059 -0.218 0.000 0.952 720 L HN 0.631 nan 8.230 nan 0.000 0.455 721 K N -0.823 119.539 120.400 -0.062 0.000 2.283 721 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 721 K C 1.748 178.322 176.600 -0.044 0.000 1.048 721 K CA 1.605 57.848 56.287 -0.073 0.000 0.948 721 K CB -0.739 31.715 32.500 -0.075 0.000 0.742 721 K HN 0.351 nan 8.250 nan 0.000 0.458 722 T N -3.100 111.448 114.554 -0.010 0.000 2.915 722 T HA 0.082 4.432 4.350 -0.000 0.000 0.269 722 T C 1.797 176.491 174.700 -0.010 0.000 1.071 722 T CA 1.013 63.109 62.100 -0.006 0.000 1.132 722 T CB -0.412 68.464 68.868 0.013 0.000 0.878 722 T HN 0.550 nan 8.240 nan 0.000 0.479 723 G N 0.950 109.775 108.800 0.042 0.000 2.254 723 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 723 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 723 G C 0.249 175.152 174.900 0.005 0.000 1.003 723 G CA -0.046 45.063 45.100 0.015 0.000 0.622 723 G HN 0.717 nan 8.290 nan 0.000 0.507 724 R N 0.824 121.354 120.500 0.049 0.000 2.207 724 R HA 0.623 4.963 4.340 -0.000 0.000 0.334 724 R C -0.843 175.547 176.300 0.151 0.000 1.013 724 R CA -0.477 55.632 56.100 0.015 0.000 0.858 724 R CB 0.134 30.447 30.300 0.023 0.000 1.094 724 R HN 0.730 nan 8.270 nan 0.000 0.457 725 Y N 0.158 120.527 120.300 0.114 0.000 2.558 725 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 725 Y C -0.763 175.246 175.900 0.182 0.000 1.125 725 Y CA -1.320 56.845 58.100 0.109 0.000 1.039 725 Y CB 0.812 39.304 38.460 0.054 0.000 1.331 725 Y HN 0.471 nan 8.280 nan 0.000 0.456 726 R N 1.874 122.558 120.500 0.307 0.000 2.490 726 R HA 0.209 4.549 4.340 -0.000 0.000 0.280 726 R C -0.342 176.177 176.300 0.365 0.000 1.077 726 R CA -0.407 55.851 56.100 0.263 0.000 1.065 726 R CB 0.472 30.886 30.300 0.190 0.000 1.003 726 R HN 0.843 nan 8.270 nan 0.000 0.470 727 N N 2.756 121.689 118.700 0.389 0.000 2.605 727 N HA -0.048 4.692 4.740 -0.000 0.000 0.282 727 N C -0.571 175.142 175.510 0.337 0.000 1.206 727 N CA 0.340 53.690 53.050 0.500 0.000 1.074 727 N CB 0.453 39.241 38.487 0.502 0.000 1.434 727 N HN 0.604 nan 8.380 nan 0.000 0.506 728 E N 1.140 121.513 120.200 0.289 0.000 2.445 728 E HA 0.087 4.437 4.350 -0.000 0.000 0.189 728 E C 0.974 177.684 176.600 0.182 0.000 1.069 728 E CA -0.077 56.445 56.400 0.203 0.000 0.871 728 E CB 0.260 30.058 29.700 0.163 0.000 0.991 728 E HN 0.684 nan 8.360 nan 0.000 0.481 729 A N 0.755 123.719 122.820 0.240 0.000 2.030 729 A HA 0.346 4.666 4.320 -0.000 0.000 0.215 729 A C 1.371 179.047 177.584 0.153 0.000 1.164 729 A CA 0.838 52.986 52.037 0.186 0.000 0.697 729 A CB -0.208 18.967 19.000 0.292 0.000 0.827 729 A HN 0.351 nan 8.150 nan 0.000 0.457 730 G N -0.984 107.932 108.800 0.194 0.000 2.542 730 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.235 730 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.235 730 G C 0.646 175.631 174.900 0.142 0.000 1.286 730 G CA 0.219 45.422 45.100 0.172 0.000 0.904 730 G HN 1.211 nan 8.290 nan 0.000 0.577 731 L N 1.250 122.456 121.223 -0.028 0.000 2.017 731 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 731 L C 3.219 180.060 176.870 -0.048 0.000 1.073 731 L CA 3.632 58.334 54.840 -0.230 0.000 0.745 731 L CB -0.999 40.628 42.059 -0.720 0.000 0.894 731 L HN 1.440 nan 8.230 nan 0.000 0.432 732 S N -0.845 114.847 115.700 -0.014 0.000 2.400 732 S HA -0.124 4.346 4.470 -0.000 0.000 0.232 732 S C 2.101 176.822 174.600 0.201 0.000 1.025 732 S CA 0.922 59.174 58.200 0.087 0.000 0.993 732 S CB -1.750 61.532 63.200 0.137 0.000 0.808 732 S HN 0.557 nan 8.310 nan 0.000 0.478 733 G N 1.815 110.736 108.800 0.202 0.000 2.408 733 G HA2 0.012 3.971 3.960 -0.000 0.000 0.217 733 G HA3 0.012 3.971 3.960 -0.000 0.000 0.217 733 G C 1.431 176.579 174.900 0.413 0.000 1.150 733 G CA 0.828 46.154 45.100 0.378 0.000 0.776 733 G HN 0.538 nan 8.290 nan 0.000 0.542 734 L N 0.343 121.724 121.223 0.264 0.000 2.156 734 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 734 L C 2.885 179.845 176.870 0.152 0.000 1.095 734 L CA 0.106 55.057 54.840 0.184 0.000 0.770 734 L CB -0.380 41.753 42.059 0.122 0.000 0.914 734 L HN 0.054 nan 8.230 nan 0.000 0.439 735 V N 0.204 120.204 119.914 0.144 0.000 2.343 735 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 735 V C 2.320 178.527 176.094 0.187 0.000 1.051 735 V CA 1.630 64.011 62.300 0.135 0.000 1.036 735 V CB -0.366 31.521 31.823 0.107 0.000 0.654 735 V HN 0.363 nan 8.190 nan 0.000 0.451 736 L N -1.001 120.373 121.223 0.250 0.000 2.240 736 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 736 L C 2.308 179.289 176.870 0.185 0.000 1.106 736 L CA 0.965 55.938 54.840 0.223 0.000 0.793 736 L CB -0.368 41.845 42.059 0.257 0.000 0.927 736 L HN 0.302 nan 8.230 nan 0.000 0.446 737 L N -0.402 120.969 121.223 0.247 0.000 2.109 737 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 737 L C 2.843 179.807 176.870 0.156 0.000 1.086 737 L CA 1.040 56.023 54.840 0.239 0.000 0.760 737 L CB -0.534 41.677 42.059 0.254 0.000 0.910 737 L HN 0.228 nan 8.230 nan 0.000 0.437 738 A N -0.528 122.364 122.820 0.120 0.000 1.898 738 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 738 A C 2.335 179.966 177.584 0.079 0.000 1.181 738 A CA 2.163 54.249 52.037 0.080 0.000 0.620 738 A CB -0.835 18.203 19.000 0.064 0.000 0.819 738 A HN 0.356 nan 8.150 nan 0.000 0.442 739 T N 0.336 114.944 114.554 0.090 0.000 2.746 739 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 739 T C 2.194 176.935 174.700 0.067 0.000 1.039 739 T CA 1.556 63.701 62.100 0.076 0.000 1.142 739 T CB -0.387 68.533 68.868 0.087 0.000 0.866 739 T HN 0.574 nan 8.240 nan 0.000 0.444 740 A N 1.250 124.117 122.820 0.077 0.000 1.897 740 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 740 A C 2.266 179.920 177.584 0.116 0.000 1.181 740 A CA 1.298 53.392 52.037 0.096 0.000 0.620 740 A CB -0.393 18.685 19.000 0.130 0.000 0.821 740 A HN 0.320 nan 8.150 nan 0.000 0.443 741 R N -0.066 120.505 120.500 0.118 0.000 2.297 741 R HA 0.078 4.418 4.340 -0.000 0.000 0.197 741 R C 0.701 177.037 176.300 0.059 0.000 0.943 741 R CA 0.694 56.850 56.100 0.094 0.000 1.038 741 R CB 0.042 30.395 30.300 0.088 0.000 0.957 741 R HN 0.696 nan 8.270 nan 0.000 0.484 742 S N -1.436 114.298 115.700 0.056 0.000 2.776 742 S HA 0.406 4.876 4.470 -0.000 0.000 0.306 742 S C -0.033 174.592 174.600 0.042 0.000 1.114 742 S CA -0.985 57.240 58.200 0.041 0.000 0.973 742 S CB 1.567 64.788 63.200 0.035 0.000 1.250 742 S HN 0.100 nan 8.310 nan 0.000 0.549 743 R N -0.589 119.932 120.500 0.034 0.000 2.707 743 R HA 0.345 4.685 4.340 -0.000 0.000 0.270 743 R C 1.329 177.646 176.300 0.028 0.000 1.083 743 R CA -0.271 55.848 56.100 0.032 0.000 1.182 743 R CB 0.153 30.469 30.300 0.026 0.000 1.084 743 R HN 0.755 nan 8.270 nan 0.000 0.528 744 L N 1.681 122.919 121.223 0.025 0.000 2.005 744 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 744 L C 1.923 178.799 176.870 0.011 0.000 1.072 744 L CA 1.652 56.504 54.840 0.020 0.000 0.744 744 L CB -0.082 41.988 42.059 0.018 0.000 0.895 744 L HN 0.716 nan 8.230 nan 0.000 0.433 745 Q N -0.931 118.873 119.800 0.006 0.000 2.436 745 Q HA -0.117 4.223 4.340 -0.000 0.000 0.209 745 Q C 0.244 176.245 176.000 0.001 0.000 0.965 745 Q CA 0.636 56.438 55.803 -0.002 0.000 0.910 745 Q CB 0.120 28.855 28.738 -0.004 0.000 0.980 745 Q HN 0.545 nan 8.270 nan 0.000 0.491 746 D N 0.158 120.563 120.400 0.009 0.000 2.561 746 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 746 D C 0.851 177.161 176.300 0.016 0.000 1.198 746 D CA 0.006 54.013 54.000 0.011 0.000 0.826 746 D CB 0.647 41.455 40.800 0.013 0.000 0.992 746 D HN 0.158 nan 8.370 nan 0.000 0.490 747 A N 0.147 122.978 122.820 0.017 0.000 1.930 747 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 747 A C 2.207 179.808 177.584 0.028 0.000 1.175 747 A CA 0.632 52.686 52.037 0.028 0.000 0.627 747 A CB -0.275 18.742 19.000 0.029 0.000 0.815 747 A HN 0.245 nan 8.150 nan 0.000 0.443 748 V N -0.242 119.682 119.914 0.016 0.000 2.667 748 V HA -0.142 3.977 4.120 -0.000 0.000 0.252 748 V C 2.240 178.340 176.094 0.011 0.000 1.065 748 V CA 2.115 64.423 62.300 0.013 0.000 1.083 748 V CB -0.454 31.371 31.823 0.004 0.000 0.692 748 V HN 0.553 nan 8.190 nan 0.000 0.468 749 K N -0.267 120.140 120.400 0.011 0.000 2.155 749 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 749 K C 2.217 178.826 176.600 0.015 0.000 1.052 749 K CA 1.137 57.431 56.287 0.010 0.000 0.948 749 K CB -0.250 32.255 32.500 0.008 0.000 0.728 749 K HN 0.527 nan 8.250 nan 0.000 0.448 750 A N 2.015 124.849 122.820 0.022 0.000 1.877 750 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 750 A C 2.049 179.652 177.584 0.032 0.000 1.186 750 A CA 1.666 53.721 52.037 0.030 0.000 0.620 750 A CB -0.380 18.645 19.000 0.041 0.000 0.822 750 A HN 0.208 nan 8.150 nan 0.000 0.443 751 K N -0.309 120.110 120.400 0.032 0.000 2.032 751 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 751 K C 2.174 178.780 176.600 0.011 0.000 1.048 751 K CA 1.380 57.681 56.287 0.024 0.000 0.927 751 K CB -0.370 32.138 32.500 0.014 0.000 0.712 751 K HN 0.361 nan 8.250 nan 0.000 0.441 752 A N 0.966 123.791 122.820 0.008 0.000 1.908 752 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 752 A C 1.971 179.561 177.584 0.011 0.000 1.181 752 A CA 2.006 54.046 52.037 0.006 0.000 0.627 752 A CB -0.568 18.435 19.000 0.004 0.000 0.818 752 A HN 0.487 nan 8.150 nan 0.000 0.445 753 E N -0.295 119.912 120.200 0.012 0.000 2.150 753 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 753 E C 1.959 178.568 176.600 0.015 0.000 0.985 753 E CA 1.093 57.499 56.400 0.011 0.000 0.814 753 E CB -0.302 29.402 29.700 0.007 0.000 0.752 753 E HN 0.525 nan 8.360 nan 0.000 0.466 754 A N 0.399 123.233 122.820 0.022 0.000 2.066 754 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 754 A C 1.806 179.419 177.584 0.048 0.000 1.157 754 A CA 1.152 53.209 52.037 0.033 0.000 0.670 754 A CB -0.259 18.765 19.000 0.041 0.000 0.804 754 A HN 0.225 nan 8.150 nan 0.000 0.453 755 E N -0.492 119.729 120.200 0.035 0.000 2.230 755 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 755 E C 1.752 178.393 176.600 0.067 0.000 0.987 755 E CA 0.669 57.101 56.400 0.052 0.000 0.841 755 E CB -0.031 29.679 29.700 0.016 0.000 0.783 755 E HN 0.440 nan 8.360 nan 0.000 0.481 756 K N 1.097 121.520 120.400 0.039 0.000 2.097 756 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 756 K C 1.974 178.591 176.600 0.028 0.000 1.049 756 K CA 0.617 56.920 56.287 0.027 0.000 0.933 756 K CB -0.068 32.440 32.500 0.012 0.000 0.717 756 K HN 0.072 nan 8.250 nan 0.000 0.442 757 L N -0.153 121.093 121.223 0.037 0.000 2.072 757 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 757 L C 2.431 179.331 176.870 0.050 0.000 1.079 757 L CA 1.337 56.194 54.840 0.027 0.000 0.752 757 L CB -0.278 41.792 42.059 0.017 0.000 0.906 757 L HN 0.462 nan 8.230 nan 0.000 0.436 758 H N 0.399 119.466 119.070 -0.004 0.000 2.421 758 H HA -0.176 4.379 4.556 -0.000 0.000 0.298 758 H C 1.937 177.266 175.328 0.002 0.000 1.087 758 H CA 1.388 57.438 56.048 0.003 0.000 1.330 758 H CB 0.386 30.154 29.762 0.010 0.000 1.388 758 H HN 0.287 nan 8.280 nan 0.000 0.526 759 K N 0.917 121.340 120.400 0.039 0.000 2.283 759 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 759 K C 0.666 177.237 176.600 -0.048 0.000 1.048 759 K CA 0.673 56.956 56.287 -0.007 0.000 0.948 759 K CB 0.096 32.612 32.500 0.026 0.000 0.742 759 K HN 0.182 nan 8.250 nan 0.000 0.458 760 S N 1.037 116.708 115.700 -0.049 0.000 2.399 760 S HA 0.315 4.785 4.470 -0.000 0.000 0.301 760 S C -0.198 174.355 174.600 -0.079 0.000 1.093 760 S CA -0.884 57.285 58.200 -0.052 0.000 1.077 760 S CB 1.110 64.290 63.200 -0.034 0.000 0.980 760 S HN 0.148 nan 8.310 nan 0.000 0.494 761 K N 2.559 122.912 120.400 -0.079 0.000 2.349 761 K HA 0.713 5.033 4.320 -0.000 0.000 0.288 761 K C -0.601 175.966 176.600 -0.054 0.000 1.058 761 K CA -0.675 55.561 56.287 -0.085 0.000 0.953 761 K CB -1.346 31.110 32.500 -0.072 0.000 0.997 761 K HN 0.951 nan 8.250 nan 0.000 0.477 767 A N 1.213 124.066 122.820 0.055 0.000 2.569 767 A HA 0.459 4.779 4.320 -0.000 0.000 0.288 767 A C 0.548 178.163 177.584 0.052 0.000 1.326 767 A CA 1.767 53.834 52.037 0.051 0.000 0.978 767 A CB -1.337 17.680 19.000 0.029 0.000 1.054 767 A HN 1.289 nan 8.150 nan 0.000 0.558 768 D N 0.661 121.107 120.400 0.077 0.000 10.405 768 D HA -0.183 4.457 4.640 -0.000 0.000 0.309 768 D C 0.085 176.446 176.300 0.102 0.000 2.986 768 D CA 0.914 54.957 54.000 0.072 0.000 2.704 768 D CB -0.594 40.233 40.800 0.045 0.000 1.147 768 D HN 0.717 nan 8.370 nan 0.000 0.881 769 W N 5.332 126.567 121.300 -0.108 0.000 2.539 769 W HA 0.082 4.742 4.660 0.000 0.000 0.281 769 W C 1.981 178.471 176.519 -0.048 0.000 1.220 769 W CA 0.900 58.208 57.345 -0.063 0.000 1.332 769 W CB -0.420 28.999 29.460 -0.068 0.000 1.095 769 W HN 0.496 nan 8.180 nan 0.000 0.571 770 F N 2.106 122.031 119.950 -0.042 0.000 2.146 770 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 770 F C 2.478 178.151 175.800 -0.212 0.000 1.096 770 F CA 2.878 60.803 58.000 -0.125 0.000 1.275 770 F CB -0.951 38.041 39.000 -0.013 0.000 1.008 770 F HN 0.001 nan 8.300 nan 0.000 0.480 771 E N 0.422 120.605 120.200 -0.028 0.000 2.347 771 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 771 E C 2.105 178.585 176.600 -0.199 0.000 1.008 771 E CA 1.229 57.571 56.400 -0.097 0.000 0.852 771 E CB -0.822 28.878 29.700 0.000 0.000 0.783 771 E HN 0.537 nan 8.360 nan 0.000 0.505 772 R N -0.445 119.900 120.500 -0.257 0.000 2.090 772 R HA 0.029 4.369 4.340 -0.000 0.000 0.219 772 R C 2.666 178.712 176.300 -0.423 0.000 1.100 772 R CA 1.308 57.242 56.100 -0.278 0.000 0.991 772 R CB -0.169 29.997 30.300 -0.223 0.000 0.893 772 R HN 0.360 nan 8.270 nan 0.000 0.443 773 S N 0.156 115.424 115.700 -0.720 0.000 2.402 773 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 773 S C 1.454 175.723 174.600 -0.552 0.000 1.021 773 S CA 1.161 58.870 58.200 -0.819 0.000 0.974 773 S CB -0.044 62.284 63.200 -1.453 0.000 0.800 773 S HN 0.401 nan 8.310 nan 0.000 0.484 774 E N 0.131 119.995 120.200 -0.559 0.000 2.122 774 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 774 E C 2.132 178.577 176.600 -0.258 0.000 0.977 774 E CA 1.434 57.577 56.400 -0.428 0.000 0.820 774 E CB -0.210 29.192 29.700 -0.498 0.000 0.770 774 E HN 0.795 nan 8.360 nan 0.000 0.462 775 T N -0.185 114.233 114.554 -0.226 0.000 3.072 775 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 775 T C 1.900 176.525 174.700 -0.124 0.000 1.127 775 T CA 0.314 62.326 62.100 -0.146 0.000 1.107 775 T CB -0.031 68.767 68.868 -0.117 0.000 0.910 775 T HN 0.035 nan 8.240 nan 0.000 0.513 776 L N 0.564 121.695 121.223 -0.153 0.000 2.127 776 L HA 0.094 4.434 4.340 -0.000 0.000 0.203 776 L C 2.623 179.439 176.870 -0.091 0.000 1.080 776 L CA 0.767 55.541 54.840 -0.110 0.000 0.768 776 L CB -0.266 41.722 42.059 -0.120 0.000 0.924 776 L HN 0.173 nan 8.230 nan 0.000 0.444 777 S N -0.083 115.545 115.700 -0.120 0.000 2.423 777 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 777 S C 1.314 175.873 174.600 -0.068 0.000 1.014 777 S CA 1.381 59.527 58.200 -0.089 0.000 0.965 777 S CB -0.327 62.804 63.200 -0.114 0.000 0.785 777 S HN 0.517 nan 8.310 nan 0.000 0.495 778 D N 1.507 121.861 120.400 -0.077 0.000 2.123 778 D HA 0.030 4.670 4.640 -0.000 0.000 0.200 778 D C 1.807 178.082 176.300 -0.041 0.000 0.976 778 D CA 0.628 54.594 54.000 -0.057 0.000 0.831 778 D CB -0.320 40.444 40.800 -0.061 0.000 0.974 778 D HN 0.272 nan 8.370 nan 0.000 0.469 779 L N 0.185 121.382 121.223 -0.043 0.000 2.131 779 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 779 L C 2.237 179.096 176.870 -0.019 0.000 1.092 779 L CA 0.666 55.488 54.840 -0.029 0.000 0.759 779 L CB -0.235 41.807 42.059 -0.028 0.000 0.903 779 L HN 0.084 nan 8.230 nan 0.000 0.435 780 L N -0.356 120.855 121.223 -0.020 0.000 2.156 780 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 780 L C 3.061 179.926 176.870 -0.008 0.000 1.095 780 L CA 1.287 56.121 54.840 -0.009 0.000 0.770 780 L CB -0.987 41.069 42.059 -0.006 0.000 0.914 780 L HN 0.336 nan 8.230 nan 0.000 0.439 781 E N 0.801 120.992 120.200 -0.015 0.000 2.216 781 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 781 E C 2.107 178.701 176.600 -0.010 0.000 0.988 781 E CA 0.796 57.189 56.400 -0.012 0.000 0.834 781 E CB -0.327 29.363 29.700 -0.018 0.000 0.772 781 E HN 0.436 nan 8.360 nan 0.000 0.479 782 K N -0.635 119.758 120.400 -0.013 0.000 2.211 782 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 782 K C 2.157 178.753 176.600 -0.006 0.000 1.050 782 K CA 0.895 57.176 56.287 -0.011 0.000 0.945 782 K CB 0.076 32.568 32.500 -0.013 0.000 0.732 782 K HN 0.357 nan 8.250 nan 0.000 0.451 783 A N 0.570 123.388 122.820 -0.005 0.000 2.308 783 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 783 A C 0.676 178.260 177.584 0.001 0.000 1.216 783 A CA 1.041 53.077 52.037 -0.001 0.000 0.864 783 A CB -0.309 18.691 19.000 -0.000 0.000 0.902 783 A HN 0.459 nan 8.150 nan 0.000 0.499 784 D N -0.506 119.894 120.400 0.001 0.000 3.012 784 D HA -0.247 4.393 4.640 -0.000 0.000 0.222 784 D C 0.823 177.127 176.300 0.008 0.000 1.167 784 D CA 1.547 55.550 54.000 0.004 0.000 0.854 784 D CB -2.626 38.177 40.800 0.004 0.000 1.107 784 D HN 1.242 nan 8.370 nan 0.000 0.421 785 I N -4.219 116.356 120.570 0.008 0.000 3.228 785 I HA 0.566 4.736 4.170 -0.000 0.000 0.279 785 I C 1.782 177.909 176.117 0.017 0.000 1.221 785 I CA 0.498 61.806 61.300 0.012 0.000 1.458 785 I CB 0.038 38.045 38.000 0.012 0.000 1.105 785 I HN 0.701 nan 8.210 nan 0.000 0.445 786 A N 2.697 125.526 122.820 0.014 0.000 2.548 786 A HA 0.293 4.613 4.320 -0.000 0.000 0.247 786 A C 0.861 178.459 177.584 0.024 0.000 1.067 786 A CA 0.421 52.468 52.037 0.017 0.000 0.757 786 A CB -0.328 18.676 19.000 0.007 0.000 0.996 786 A HN 0.627 nan 8.150 nan 0.000 0.504 787 S N 2.018 117.738 115.700 0.033 0.000 2.592 787 S HA 0.586 5.056 4.470 -0.000 0.000 0.271 787 S C 0.488 175.113 174.600 0.043 0.000 1.326 787 S CA -0.053 58.175 58.200 0.045 0.000 1.024 787 S CB 0.693 63.927 63.200 0.056 0.000 0.921 787 S HN 1.306 nan 8.310 nan 0.000 0.527 788 K N 1.439 121.877 120.400 0.064 0.000 2.319 788 K HA 0.511 4.831 4.320 -0.000 0.000 0.265 788 K C 0.501 177.095 176.600 -0.011 0.000 1.000 788 K CA -0.245 56.069 56.287 0.045 0.000 0.943 788 K CB -0.620 31.947 32.500 0.112 0.000 0.950 788 K HN 1.509 nan 8.250 nan 0.000 0.485 789 V N -1.405 118.468 119.914 -0.067 0.000 2.763 789 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 789 V C 1.520 177.465 176.094 -0.248 0.000 1.059 789 V CA 0.231 62.466 62.300 -0.108 0.000 1.138 789 V CB -0.503 31.268 31.823 -0.087 0.000 0.940 789 V HN 2.333 nan 8.190 nan 0.000 0.489 790 A N 2.202 124.916 122.820 -0.178 0.000 3.721 790 A HA -0.273 4.047 4.320 -0.000 0.000 0.270 790 A C 0.659 178.146 177.584 -0.161 0.000 1.036 790 A CA 1.841 53.757 52.037 -0.201 0.000 1.102 790 A CB -2.799 16.044 19.000 -0.261 0.000 1.100 790 A HN 1.381 nan 8.150 nan 0.000 0.887 791 H N 0.621 119.697 119.070 0.010 0.000 2.500 791 H HA 0.452 5.008 4.556 -0.000 0.000 0.243 791 H C 0.835 176.172 175.328 0.016 0.000 1.318 791 H CA 0.072 56.127 56.048 0.011 0.000 1.077 791 H CB 0.267 30.035 29.762 0.009 0.000 1.748 791 H HN 0.660 nan 8.280 nan 0.000 0.556 792 S N -0.009 115.751 115.700 0.100 0.000 2.596 792 S HA 0.242 4.712 4.470 -0.000 0.000 0.260 792 S C 1.864 176.507 174.600 0.073 0.000 1.336 792 S CA -0.250 57.995 58.200 0.074 0.000 0.993 792 S CB 1.383 64.619 63.200 0.060 0.000 0.923 792 S HN 0.466 nan 8.310 nan 0.000 0.567 793 A N 0.505 123.362 122.820 0.062 0.000 1.978 793 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 793 A C 2.065 179.675 177.584 0.043 0.000 1.170 793 A CA 1.161 53.228 52.037 0.050 0.000 0.636 793 A CB -0.883 18.144 19.000 0.045 0.000 0.810 793 A HN 0.836 nan 8.150 nan 0.000 0.448 794 L N -0.581 120.669 121.223 0.045 0.000 2.131 794 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 794 L C 2.395 179.285 176.870 0.034 0.000 1.087 794 L CA 0.932 55.792 54.840 0.033 0.000 0.767 794 L CB -0.126 41.955 42.059 0.037 0.000 0.917 794 L HN 0.278 nan 8.230 nan 0.000 0.441 795 V N -0.418 119.524 119.914 0.046 0.000 2.358 795 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 795 V C 2.456 178.578 176.094 0.047 0.000 1.047 795 V CA 1.383 63.712 62.300 0.049 0.000 1.035 795 V CB -0.474 31.392 31.823 0.072 0.000 0.658 795 V HN 0.415 nan 8.190 nan 0.000 0.452 796 E N 0.145 120.374 120.200 0.049 0.000 2.085 796 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 796 E C 2.410 179.030 176.600 0.034 0.000 0.994 796 E CA 1.955 58.376 56.400 0.035 0.000 0.801 796 E CB -0.613 29.106 29.700 0.032 0.000 0.743 796 E HN 0.640 nan 8.360 nan 0.000 0.453 797 T N -0.425 114.152 114.554 0.039 0.000 2.985 797 T HA -0.022 4.327 4.350 -0.000 0.000 0.266 797 T C 2.100 176.829 174.700 0.049 0.000 1.076 797 T CA 1.331 63.460 62.100 0.048 0.000 1.135 797 T CB 0.014 68.912 68.868 0.050 0.000 0.890 797 T HN -0.042 nan 8.240 nan 0.000 0.480 798 S N 1.002 116.723 115.700 0.036 0.000 2.368 798 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 798 S C 1.750 176.370 174.600 0.033 0.000 1.029 798 S CA 1.256 59.475 58.200 0.031 0.000 0.988 798 S CB -0.351 62.859 63.200 0.018 0.000 0.838 798 S HN 0.613 nan 8.310 nan 0.000 0.462 799 D N 1.292 121.709 120.400 0.029 0.000 2.224 799 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 799 D C 1.950 178.266 176.300 0.027 0.000 0.965 799 D CA 0.852 54.864 54.000 0.021 0.000 0.852 799 D CB -0.124 40.683 40.800 0.012 0.000 0.947 799 D HN 0.395 nan 8.370 nan 0.000 0.494 800 A N 0.667 123.511 122.820 0.040 0.000 2.014 800 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 800 A C 2.247 179.878 177.584 0.080 0.000 1.163 800 A CA 0.410 52.478 52.037 0.052 0.000 0.652 800 A CB -0.484 18.551 19.000 0.059 0.000 0.808 800 A HN 0.163 nan 8.150 nan 0.000 0.449 801 L N -0.514 120.765 121.223 0.093 0.000 2.376 801 L HA -0.045 4.295 4.340 -0.000 0.000 0.219 801 L C -0.107 176.850 176.870 0.144 0.000 1.133 801 L CA 0.564 55.490 54.840 0.145 0.000 0.816 801 L CB -0.140 42.003 42.059 0.141 0.000 0.933 801 L HN 0.470 nan 8.230 nan 0.000 0.449 802 E N -0.484 119.756 120.200 0.067 0.000 2.437 802 E HA 0.643 4.993 4.350 -0.000 0.000 0.238 802 E C -0.586 176.000 176.600 -0.022 0.000 0.969 802 E CA -0.251 56.152 56.400 0.005 0.000 0.759 802 E CB 1.335 31.035 29.700 -0.001 0.000 1.283 802 E HN 0.084 nan 8.360 nan 0.000 0.416 803 A N 0.000 122.794 122.820 -0.043 0.000 2.254 803 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 803 A CA 0.000 52.013 52.037 -0.039 0.000 0.836 803 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 803 A HN 0.000 nan 8.150 nan 0.000 0.486