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 3o8d_1_A DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT 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 -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -15 G C 0.000 174.904 174.900 0.006 0.000 0.946 -15 G CA 0.000 45.104 45.100 0.006 0.000 0.502 -14 S N -0.941 114.750 115.700 -0.015 0.000 2.584 -14 S HA 0.488 4.958 4.470 -0.000 0.000 0.273 -14 S C 0.755 175.319 174.600 -0.059 0.000 1.311 -14 S CA -0.484 57.694 58.200 -0.038 0.000 1.034 -14 S CB 1.532 64.684 63.200 -0.081 0.000 0.939 -14 S HN 0.672 nan 8.310 nan 0.000 0.513 -13 V N 3.190 123.059 119.914 -0.075 0.000 2.763 -13 V HA 0.142 4.262 4.120 -0.000 0.000 0.306 -13 V C 0.006 175.949 176.094 -0.252 0.000 1.059 -13 V CA 0.135 62.351 62.300 -0.141 0.000 1.138 -13 V CB 0.775 32.512 31.823 -0.142 0.000 0.940 -13 V HN 0.619 nan 8.190 nan 0.000 0.489 -12 V N 6.014 125.792 119.914 -0.227 0.000 2.588 -12 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 -12 V C -0.086 175.873 176.094 -0.225 0.000 1.042 -12 V CA -0.646 61.526 62.300 -0.212 0.000 0.877 -12 V CB 1.947 33.685 31.823 -0.140 0.000 0.996 -12 V HN 0.647 nan 8.190 nan 0.000 0.425 -11 I N 4.817 125.257 120.570 -0.217 0.000 2.517 -11 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 -11 I C 1.011 177.047 176.117 -0.136 0.000 1.106 -11 I CA 0.278 61.468 61.300 -0.183 0.000 1.402 -11 I CB 1.183 39.085 38.000 -0.164 0.000 1.399 -11 I HN 0.648 nan 8.210 nan 0.000 0.535 -10 V N 2.576 122.415 119.914 -0.125 0.000 3.477 -10 V HA 0.669 4.789 4.120 -0.000 0.000 0.297 -10 V C 0.577 176.629 176.094 -0.070 0.000 1.433 -10 V CA 0.454 62.700 62.300 -0.089 0.000 1.052 -10 V CB -0.094 31.679 31.823 -0.084 0.000 0.895 -10 V HN 0.873 nan 8.190 nan 0.000 0.438 -9 G N 0.842 109.595 108.800 -0.078 0.000 2.341 -9 G HA2 0.626 4.586 3.960 -0.000 0.000 0.299 -9 G HA3 0.626 4.586 3.960 -0.000 0.000 0.299 -9 G C -1.435 173.423 174.900 -0.070 0.000 1.274 -9 G CA -0.541 44.523 45.100 -0.061 0.000 0.853 -9 G HN 0.695 nan 8.290 nan 0.000 0.493 -8 R N -1.359 119.101 120.500 -0.068 0.000 2.739 -8 R HA 0.727 5.067 4.340 -0.000 0.000 0.271 -8 R C -1.493 174.745 176.300 -0.103 0.000 1.010 -8 R CA -1.012 55.039 56.100 -0.082 0.000 0.897 -8 R CB 1.623 31.872 30.300 -0.085 0.000 1.236 -8 R HN 0.387 nan 8.270 nan 0.000 0.466 -7 I N 2.975 123.480 120.570 -0.109 0.000 2.328 -7 I HA 0.291 4.460 4.170 -0.000 0.000 0.287 -7 I C -0.120 175.874 176.117 -0.204 0.000 1.012 -7 I CA -0.953 60.263 61.300 -0.141 0.000 1.195 -7 I CB 1.387 39.339 38.000 -0.079 0.000 1.350 -7 I HN 0.564 nan 8.210 nan 0.000 0.464 -6 I N 7.152 127.483 120.570 -0.397 0.000 2.352 -6 I HA 0.270 4.439 4.170 -0.000 0.000 0.290 -6 I C 0.348 176.293 176.117 -0.286 0.000 1.036 -6 I CA -0.346 60.688 61.300 -0.442 0.000 1.336 -6 I CB 0.796 38.265 38.000 -0.886 0.000 1.407 -6 I HN 0.295 nan 8.210 nan 0.000 0.497 -5 L N 5.525 126.669 121.223 -0.132 0.000 2.325 -5 L HA 0.328 4.668 4.340 -0.000 0.000 0.279 -5 L C 0.841 177.703 176.870 -0.013 0.000 1.054 -5 L CA -0.623 54.185 54.840 -0.054 0.000 0.804 -5 L CB 1.441 43.483 42.059 -0.029 0.000 1.200 -5 L HN 0.680 nan 8.230 nan 0.000 0.436 -4 S N 0.752 116.460 115.700 0.012 0.000 2.562 -4 S HA 0.150 4.620 4.470 -0.000 0.000 0.281 -4 S C 0.976 175.582 174.600 0.010 0.000 1.333 -4 S CA -0.209 58.008 58.200 0.028 0.000 1.052 -4 S CB 1.452 64.663 63.200 0.018 0.000 0.884 -4 S HN 0.803 nan 8.310 nan 0.000 0.506 -3 G N 1.482 110.292 108.800 0.017 0.000 2.408 -3 G HA2 0.180 4.140 3.960 -0.000 0.000 0.213 -3 G HA3 0.180 4.140 3.960 -0.000 0.000 0.213 -3 G C 0.406 175.306 174.900 0.001 0.000 1.177 -3 G CA 0.361 45.468 45.100 0.012 0.000 0.802 -3 G HN 1.069 nan 8.290 nan 0.000 0.533 -2 S N -0.610 115.089 115.700 -0.002 0.000 2.472 -2 S HA 0.700 5.170 4.470 -0.000 0.000 0.303 -2 S C 0.390 174.976 174.600 -0.024 0.000 1.099 -2 S CA 0.161 58.354 58.200 -0.012 0.000 1.077 -2 S CB 2.130 65.326 63.200 -0.005 0.000 1.031 -2 S HN 1.686 nan 8.310 nan 0.000 0.487 -1 G N 2.605 111.383 108.800 -0.036 0.000 2.512 -1 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.240 -1 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.240 -1 G C 0.103 174.956 174.900 -0.077 0.000 1.246 -1 G CA -0.341 44.731 45.100 -0.047 0.000 0.919 -1 G HN 1.895 nan 8.290 nan 0.000 0.577 4 T N 2.279 116.806 114.554 -0.044 0.000 2.907 4 T HA 0.985 5.335 4.350 -0.000 0.000 0.290 4 T C -0.612 174.113 174.700 0.040 0.000 1.066 4 T CA -0.753 61.352 62.100 0.008 0.000 1.012 4 T CB 2.757 71.643 68.868 0.030 0.000 1.184 4 T HN 0.826 nan 8.240 nan 0.000 0.522 5 A N 0.900 123.766 122.820 0.077 0.000 2.587 5 A HA 0.871 5.191 4.320 -0.000 0.000 0.293 5 A C -1.654 176.032 177.584 0.170 0.000 1.087 5 A CA -1.148 50.930 52.037 0.068 0.000 0.692 5 A CB 1.247 20.257 19.000 0.016 0.000 1.291 5 A HN 1.589 nan 8.150 nan 0.000 0.407 6 Y N -0.646 119.661 120.300 0.012 0.000 2.597 6 Y HA 0.798 5.348 4.550 -0.000 0.000 0.340 6 Y C -0.208 175.701 175.900 0.014 0.000 1.097 6 Y CA -0.538 57.572 58.100 0.016 0.000 1.037 6 Y CB 1.132 39.599 38.460 0.012 0.000 1.305 6 Y HN 1.075 nan 8.280 nan 0.000 0.463 7 S N 1.669 117.454 115.700 0.141 0.000 2.525 7 S HA 0.604 5.074 4.470 -0.000 0.000 0.290 7 S C -1.124 173.530 174.600 0.090 0.000 1.152 7 S CA -0.614 57.609 58.200 0.038 0.000 1.072 7 S CB 1.337 64.573 63.200 0.061 0.000 1.027 7 S HN 0.755 nan 8.310 nan 0.000 0.500 8 Q N 1.909 121.713 119.800 0.008 0.000 2.310 8 Q HA 0.329 4.669 4.340 -0.000 0.000 0.270 8 Q C -1.093 174.911 176.000 0.006 0.000 1.025 8 Q CA -0.411 55.413 55.803 0.036 0.000 0.772 8 Q CB 2.256 31.005 28.738 0.018 0.000 1.253 8 Q HN 0.799 nan 8.270 nan 0.000 0.450 9 Q N 1.256 121.067 119.800 0.017 0.000 2.257 9 Q HA 0.278 4.617 4.340 -0.000 0.000 0.255 9 Q C 0.112 176.110 176.000 -0.005 0.000 0.920 9 Q CA 0.005 55.809 55.803 0.001 0.000 0.927 9 Q CB 1.063 29.806 28.738 0.008 0.000 1.229 9 Q HN 0.827 nan 8.270 nan 0.000 0.433 10 T N 0.501 115.043 114.554 -0.020 0.000 2.959 10 T HA 0.246 4.596 4.350 -0.000 0.000 0.254 10 T C 0.158 174.843 174.700 -0.025 0.000 1.003 10 T CA -0.318 61.768 62.100 -0.022 0.000 0.950 10 T CB 0.215 69.064 68.868 -0.032 0.000 1.090 10 T HN 0.704 nan 8.240 nan 0.000 0.503 11 R N -0.105 120.378 120.500 -0.028 0.000 2.668 11 R HA 0.755 5.095 4.340 -0.000 0.000 0.272 11 R C 0.097 176.384 176.300 -0.022 0.000 1.019 11 R CA -1.078 55.006 56.100 -0.026 0.000 0.894 11 R CB 0.877 31.156 30.300 -0.035 0.000 1.228 11 R HN 0.055 nan 8.270 nan 0.000 0.460 12 G N 0.660 109.450 108.800 -0.016 0.000 2.510 12 G HA2 0.234 4.194 3.960 -0.000 0.000 0.280 12 G HA3 0.234 4.194 3.960 -0.000 0.000 0.280 12 G C 0.284 175.175 174.900 -0.014 0.000 1.386 12 G CA -0.764 44.329 45.100 -0.011 0.000 1.047 12 G HN 0.447 nan 8.290 nan 0.000 0.527 13 L N -0.792 120.426 121.223 -0.008 0.000 2.046 13 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 13 L C 2.539 179.403 176.870 -0.010 0.000 1.077 13 L CA 1.462 56.298 54.840 -0.008 0.000 0.747 13 L CB -0.857 41.202 42.059 -0.001 0.000 0.896 13 L HN 0.415 nan 8.230 nan 0.000 0.432 14 L N -0.051 121.167 121.223 -0.008 0.000 1.989 14 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 14 L C 2.405 179.267 176.870 -0.013 0.000 1.071 14 L CA 2.224 57.059 54.840 -0.008 0.000 0.749 14 L CB -1.593 40.462 42.059 -0.006 0.000 0.890 14 L HN 0.335 nan 8.230 nan 0.000 0.431 15 G N -1.628 107.162 108.800 -0.017 0.000 2.422 15 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.218 15 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.218 15 G C 1.844 176.725 174.900 -0.031 0.000 1.146 15 G CA 0.984 46.070 45.100 -0.023 0.000 0.769 15 G HN 0.575 nan 8.290 nan 0.000 0.547 16 C N 0.540 119.822 119.300 -0.031 0.000 2.413 16 C HA -0.050 4.410 4.460 -0.000 0.000 0.278 16 C C 2.779 177.748 174.990 -0.034 0.000 1.224 16 C CA 0.956 59.950 59.018 -0.039 0.000 1.732 16 C CB -0.925 26.794 27.740 -0.036 0.000 2.050 16 C HN 0.388 nan 8.230 nan 0.000 0.463 17 I N 1.143 121.700 120.570 -0.022 0.000 2.076 17 I HA -0.187 3.983 4.170 -0.000 0.000 0.237 17 I C 2.470 178.577 176.117 -0.017 0.000 1.059 17 I CA 1.892 63.182 61.300 -0.016 0.000 1.317 17 I CB -1.661 36.335 38.000 -0.007 0.000 1.037 17 I HN 0.389 nan 8.210 nan 0.000 0.398 18 I N 0.748 121.309 120.570 -0.016 0.000 2.113 18 I HA -0.388 3.782 4.170 -0.000 0.000 0.242 18 I C 2.533 178.636 176.117 -0.023 0.000 1.057 18 I CA 2.109 63.399 61.300 -0.016 0.000 1.314 18 I CB -0.676 37.315 38.000 -0.015 0.000 1.022 18 I HN 0.297 nan 8.210 nan 0.000 0.408 19 T N -0.710 113.825 114.554 -0.032 0.000 2.788 19 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 19 T C 2.053 176.724 174.700 -0.050 0.000 1.044 19 T CA 1.676 63.749 62.100 -0.044 0.000 1.139 19 T CB -0.221 68.613 68.868 -0.057 0.000 0.867 19 T HN 0.332 nan 8.240 nan 0.000 0.454 20 S N 0.330 116.003 115.700 -0.046 0.000 2.419 20 S HA 0.003 4.473 4.470 -0.000 0.000 0.233 20 S C 1.832 176.414 174.600 -0.029 0.000 1.016 20 S CA 0.759 58.933 58.200 -0.044 0.000 0.974 20 S CB -0.391 62.790 63.200 -0.033 0.000 0.786 20 S HN 0.408 nan 8.310 nan 0.000 0.492 21 L N 0.674 121.885 121.223 -0.021 0.000 2.062 21 L HA 0.013 4.353 4.340 -0.000 0.000 0.202 21 L C 3.025 179.887 176.870 -0.014 0.000 1.079 21 L CA 1.556 56.390 54.840 -0.011 0.000 0.755 21 L CB -1.559 40.497 42.059 -0.004 0.000 0.913 21 L HN 0.402 nan 8.230 nan 0.000 0.445 22 T N -2.019 112.524 114.554 -0.018 0.000 2.849 22 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 22 T C 1.617 176.302 174.700 -0.026 0.000 1.066 22 T CA 1.034 63.123 62.100 -0.018 0.000 1.130 22 T CB -0.702 68.154 68.868 -0.020 0.000 0.864 22 T HN 0.608 nan 8.240 nan 0.000 0.481 23 G N 1.878 110.656 108.800 -0.037 0.000 2.175 23 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.265 23 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.265 23 G C 0.136 175.000 174.900 -0.060 0.000 0.979 23 G CA 0.253 45.321 45.100 -0.053 0.000 0.663 23 G HN 0.764 nan 8.290 nan 0.000 0.533 24 R N 0.602 121.072 120.500 -0.050 0.000 2.215 24 R HA 0.478 4.818 4.340 -0.000 0.000 0.336 24 R C -1.352 174.915 176.300 -0.056 0.000 0.996 24 R CA -0.721 55.349 56.100 -0.049 0.000 0.847 24 R CB 1.231 31.510 30.300 -0.035 0.000 1.127 24 R HN 0.141 nan 8.270 nan 0.000 0.465 25 D N 2.924 123.284 120.400 -0.068 0.000 2.471 25 D HA 0.132 4.771 4.640 -0.000 0.000 0.245 25 D C 0.275 176.539 176.300 -0.061 0.000 1.116 25 D CA -0.558 53.400 54.000 -0.071 0.000 0.853 25 D CB 1.227 41.968 40.800 -0.098 0.000 1.123 25 D HN 0.252 nan 8.370 nan 0.000 0.540 26 K N 2.119 122.490 120.400 -0.048 0.000 2.361 26 K HA 0.075 4.395 4.320 -0.000 0.000 0.196 26 K C 0.330 176.906 176.600 -0.040 0.000 1.039 26 K CA -0.206 56.057 56.287 -0.040 0.000 1.001 26 K CB -0.186 32.295 32.500 -0.031 0.000 0.795 26 K HN 0.281 nan 8.250 nan 0.000 0.495 27 N N 2.928 121.601 118.700 -0.045 0.000 2.407 27 N HA -0.087 4.653 4.740 -0.000 0.000 0.250 27 N C 0.091 175.576 175.510 -0.043 0.000 1.236 27 N CA 0.327 53.351 53.050 -0.042 0.000 0.879 27 N CB 0.367 38.825 38.487 -0.048 0.000 1.088 27 N HN 0.158 nan 8.380 nan 0.000 0.450 28 Q N 1.284 121.064 119.800 -0.034 0.000 2.297 28 Q HA 0.152 4.492 4.340 -0.000 0.000 0.267 28 Q C -0.602 175.375 176.000 -0.038 0.000 1.006 28 Q CA -0.290 55.493 55.803 -0.032 0.000 0.896 28 Q CB 0.737 29.461 28.738 -0.023 0.000 1.186 28 Q HN 0.464 nan 8.270 nan 0.000 0.392 29 V N 4.088 123.977 119.914 -0.042 0.000 2.509 29 V HA 0.440 4.560 4.120 -0.000 0.000 0.284 29 V C -0.870 175.203 176.094 -0.035 0.000 1.047 29 V CA -0.038 62.234 62.300 -0.047 0.000 0.952 29 V CB 1.420 33.209 31.823 -0.058 0.000 0.988 29 V HN 0.955 nan 8.190 nan 0.000 0.469 30 E N 3.927 124.106 120.200 -0.036 0.000 2.410 30 E HA 0.725 5.075 4.350 -0.000 0.000 0.269 30 E C 0.147 176.727 176.600 -0.034 0.000 0.937 30 E CA -0.433 55.950 56.400 -0.029 0.000 0.793 30 E CB 1.939 31.624 29.700 -0.026 0.000 1.314 30 E HN 1.406 nan 8.360 nan 0.000 0.447 31 G N 1.237 110.020 108.800 -0.028 0.000 2.752 31 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 31 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 31 G C 0.423 175.314 174.900 -0.016 0.000 1.367 31 G CA 0.379 45.460 45.100 -0.031 0.000 0.879 31 G HN 0.715 nan 8.290 nan 0.000 0.563 32 E N -1.783 118.411 120.200 -0.010 0.000 2.434 32 E HA 0.228 4.578 4.350 -0.000 0.000 0.207 32 E C 0.685 177.300 176.600 0.024 0.000 0.929 32 E CA 0.643 57.053 56.400 0.016 0.000 1.001 32 E CB 0.656 30.374 29.700 0.029 0.000 1.016 32 E HN 0.585 nan 8.360 nan 0.000 0.502 33 V N 3.544 123.458 119.914 0.000 0.000 2.334 33 V HA 0.214 4.334 4.120 -0.000 0.000 0.281 33 V C -0.367 175.714 176.094 -0.022 0.000 1.016 33 V CA -0.703 61.600 62.300 0.006 0.000 0.832 33 V CB 1.374 33.198 31.823 0.000 0.000 0.999 33 V HN 0.098 nan 8.190 nan 0.000 0.439 34 Q N 3.244 123.034 119.800 -0.016 0.000 2.230 34 Q HA 0.543 4.883 4.340 -0.000 0.000 0.253 34 Q C -0.536 175.419 176.000 -0.075 0.000 0.919 34 Q CA -0.620 55.150 55.803 -0.055 0.000 0.908 34 Q CB 2.527 31.225 28.738 -0.067 0.000 1.245 34 Q HN 0.494 nan 8.270 nan 0.000 0.437 35 V N 2.888 122.743 119.914 -0.099 0.000 2.406 35 V HA 0.337 4.456 4.120 -0.000 0.000 0.272 35 V C 0.286 176.262 176.094 -0.197 0.000 1.043 35 V CA -0.587 61.637 62.300 -0.127 0.000 0.915 35 V CB 1.070 32.837 31.823 -0.092 0.000 0.988 35 V HN 0.578 nan 8.190 nan 0.000 0.466 36 V N 2.369 122.088 119.914 -0.325 0.000 2.815 36 V HA 0.959 5.079 4.120 -0.000 0.000 0.314 36 V C -0.279 175.498 176.094 -0.528 0.000 1.064 36 V CA -0.447 61.584 62.300 -0.447 0.000 0.952 36 V CB 2.011 33.498 31.823 -0.561 0.000 1.020 36 V HN 0.760 nan 8.190 nan 0.000 0.439 37 S N 1.545 117.028 115.700 -0.362 0.000 2.536 37 S HA 0.781 5.251 4.470 -0.000 0.000 0.271 37 S C -0.194 174.341 174.600 -0.108 0.000 1.134 37 S CA 0.136 58.211 58.200 -0.208 0.000 0.897 37 S CB 1.937 65.068 63.200 -0.114 0.000 1.094 37 S HN 1.565 nan 8.310 nan 0.000 0.473 38 T N 1.162 115.725 114.554 0.016 0.000 2.892 38 T HA 0.719 5.069 4.350 -0.000 0.000 0.280 38 T C 1.622 176.341 174.700 0.031 0.000 1.004 38 T CA -0.120 62.008 62.100 0.047 0.000 0.950 38 T CB 0.389 69.326 68.868 0.116 0.000 1.309 38 T HN 0.817 nan 8.240 nan 0.000 0.592 39 A N 0.428 123.266 122.820 0.030 0.000 1.933 39 A HA 0.007 4.326 4.320 -0.000 0.000 0.218 39 A C 2.372 179.977 177.584 0.035 0.000 1.175 39 A CA 2.222 54.273 52.037 0.024 0.000 0.628 39 A CB -1.529 17.484 19.000 0.021 0.000 0.814 39 A HN 1.062 nan 8.150 nan 0.000 0.444 40 T N -4.602 109.982 114.554 0.051 0.000 2.990 40 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 40 T C 0.618 175.364 174.700 0.077 0.000 1.039 40 T CA 0.350 62.482 62.100 0.054 0.000 1.036 40 T CB 0.093 68.989 68.868 0.047 0.000 0.994 40 T HN 0.436 nan 8.240 nan 0.000 0.489 41 Q N 0.235 120.105 119.800 0.115 0.000 2.451 41 Q HA 0.659 4.999 4.340 -0.000 0.000 0.281 41 Q C -1.794 174.345 176.000 0.233 0.000 1.099 41 Q CA -0.726 55.181 55.803 0.175 0.000 0.806 41 Q CB 2.473 31.324 28.738 0.188 0.000 1.419 41 Q HN 0.210 nan 8.270 nan 0.000 0.427 42 S N 1.547 117.404 115.700 0.262 0.000 2.536 42 S HA 0.900 5.370 4.470 -0.000 0.000 0.287 42 S C -1.525 173.271 174.600 0.328 0.000 1.101 42 S CA -0.390 57.908 58.200 0.165 0.000 0.950 42 S CB 0.662 63.892 63.200 0.052 0.000 1.056 42 S HN 0.526 nan 8.310 nan 0.000 0.481 43 F N 1.249 121.201 119.950 0.003 0.000 3.559 43 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 43 F C -2.134 173.675 175.800 0.014 0.000 1.128 43 F CA -1.328 56.677 58.000 0.008 0.000 0.859 43 F CB 0.431 39.438 39.000 0.011 0.000 1.590 43 F HN 0.435 nan 8.300 nan 0.000 0.504 44 L N 1.121 122.474 121.223 0.216 0.000 2.303 44 L HA 0.960 5.299 4.340 -0.000 0.000 0.266 44 L C -0.666 176.302 176.870 0.163 0.000 1.011 44 L CA -1.231 53.664 54.840 0.092 0.000 0.818 44 L CB 1.866 43.994 42.059 0.116 0.000 1.326 44 L HN 0.990 nan 8.230 nan 0.000 0.435 45 A N 0.265 123.150 122.820 0.109 0.000 2.455 45 A HA 0.797 5.116 4.320 -0.000 0.000 0.300 45 A C -0.924 176.754 177.584 0.158 0.000 1.040 45 A CA -0.410 51.739 52.037 0.187 0.000 0.697 45 A CB 1.844 20.963 19.000 0.199 0.000 1.265 45 A HN 0.571 nan 8.150 nan 0.000 0.407 46 T N 1.307 115.991 114.554 0.217 0.000 2.812 46 T HA 0.424 4.774 4.350 -0.000 0.000 0.282 46 T C -0.481 174.380 174.700 0.268 0.000 0.990 46 T CA -0.220 61.997 62.100 0.195 0.000 0.960 46 T CB 0.716 69.690 68.868 0.177 0.000 0.948 46 T HN 0.713 nan 8.240 nan 0.000 0.438 47 C N 3.843 123.257 119.300 0.189 0.000 2.394 47 C HA 0.671 5.131 4.460 -0.000 0.000 0.362 47 C C 0.317 175.452 174.990 0.243 0.000 1.268 47 C CA -0.686 58.447 59.018 0.191 0.000 1.828 47 C CB -1.007 26.789 27.740 0.094 0.000 2.442 47 C HN 0.669 nan 8.230 nan 0.000 0.549 48 V N 4.664 124.813 119.914 0.393 0.000 2.623 48 V HA 0.456 4.575 4.120 -0.000 0.000 0.304 48 V C -0.262 176.044 176.094 0.354 0.000 1.054 48 V CA -0.603 61.891 62.300 0.322 0.000 0.882 48 V CB 1.767 33.743 31.823 0.254 0.000 1.002 48 V HN 0.896 nan 8.190 nan 0.000 0.424 49 N N 3.215 122.029 118.700 0.189 0.000 2.747 49 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 49 N C 1.112 176.706 175.510 0.139 0.000 1.107 49 N CA 1.899 55.044 53.050 0.158 0.000 0.707 49 N CB -1.226 37.377 38.487 0.193 0.000 1.054 49 N HN 1.724 nan 8.380 nan 0.000 0.555 50 G N -3.059 105.801 108.800 0.100 0.000 2.162 50 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 50 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 50 G C -0.036 174.870 174.900 0.010 0.000 0.976 50 G CA 0.443 45.575 45.100 0.054 0.000 0.655 50 G HN 0.594 nan 8.290 nan 0.000 0.533 51 V N 0.275 120.171 119.914 -0.030 0.000 2.555 51 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 51 V C 0.755 176.605 176.094 -0.407 0.000 1.038 51 V CA -0.605 61.503 62.300 -0.321 0.000 0.887 51 V CB 1.767 33.139 31.823 -0.751 0.000 0.991 51 V HN 0.500 nan 8.190 nan 0.000 0.434 52 C N 6.545 125.686 119.300 -0.264 0.000 2.322 52 C HA 0.500 4.960 4.460 -0.000 0.000 0.343 52 C C -0.357 174.593 174.990 -0.067 0.000 1.190 52 C CA -0.891 58.102 59.018 -0.042 0.000 1.704 52 C CB -1.380 26.441 27.740 0.135 0.000 2.293 52 C HN 0.824 nan 8.230 nan 0.000 0.523 53 W N 4.504 125.899 121.300 0.159 0.000 2.496 53 W HA 0.619 5.279 4.660 -0.000 0.000 0.327 53 W C 0.649 177.246 176.519 0.131 0.000 1.086 53 W CA -0.190 57.211 57.345 0.094 0.000 1.222 53 W CB 1.597 31.088 29.460 0.051 0.000 1.304 53 W HN 0.656 nan 8.180 nan 0.000 0.547 54 T N 0.120 114.873 114.554 0.331 0.000 2.645 54 T HA 0.482 4.832 4.350 -0.000 0.000 0.300 54 T C -1.220 173.561 174.700 0.134 0.000 1.210 54 T CA -0.690 61.575 62.100 0.276 0.000 1.034 54 T CB 0.411 69.536 68.868 0.429 0.000 1.537 54 T HN 0.380 nan 8.240 nan 0.000 0.492 55 V N 1.918 121.837 119.914 0.009 0.000 2.546 55 V HA 0.485 4.604 4.120 -0.000 0.000 0.284 55 V C 1.041 177.012 176.094 -0.205 0.000 1.050 55 V CA -0.417 61.774 62.300 -0.181 0.000 0.981 55 V CB 0.667 32.163 31.823 -0.544 0.000 0.990 55 V HN 0.919 nan 8.190 nan 0.000 0.474 56 Y N 4.202 124.391 120.300 -0.184 0.000 2.224 56 Y HA -0.214 4.335 4.550 -0.000 0.000 0.289 56 Y C 2.555 178.365 175.900 -0.150 0.000 1.146 56 Y CA 2.460 60.481 58.100 -0.130 0.000 1.182 56 Y CB -0.292 38.129 38.460 -0.066 0.000 0.983 56 Y HN 0.929 nan 8.280 nan 0.000 0.524 57 H N -2.507 116.504 119.070 -0.099 0.000 2.521 57 H HA 0.041 4.597 4.556 -0.000 0.000 0.286 57 H C 1.943 177.066 175.328 -0.342 0.000 1.034 57 H CA 1.054 56.989 56.048 -0.187 0.000 1.278 57 H CB -0.387 29.308 29.762 -0.113 0.000 1.386 57 H HN 0.456 nan 8.280 nan 0.000 0.567 58 G N 0.315 108.659 108.800 -0.761 0.000 2.556 58 G HA2 0.144 4.104 3.960 -0.000 0.000 0.209 58 G HA3 0.144 4.104 3.960 -0.000 0.000 0.209 58 G C 1.738 176.278 174.900 -0.599 0.000 1.159 58 G CA 0.485 44.975 45.100 -1.016 0.000 0.828 58 G HN 0.534 nan 8.290 nan 0.000 0.553 59 A N -0.248 122.383 122.820 -0.314 0.000 2.169 59 A HA 0.532 4.852 4.320 -0.000 0.000 0.210 59 A C 1.861 179.380 177.584 -0.109 0.000 1.168 59 A CA 1.365 53.461 52.037 0.097 0.000 0.813 59 A CB -0.572 18.643 19.000 0.358 0.000 0.861 59 A HN 1.607 nan 8.150 nan 0.000 0.481 60 G N -0.292 108.207 108.800 -0.502 0.000 2.582 60 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.288 60 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.288 60 G C 0.727 175.432 174.900 -0.325 0.000 1.247 60 G CA 0.471 45.108 45.100 -0.771 0.000 0.972 60 G HN 0.797 nan 8.290 nan 0.000 0.557 61 S N 1.141 116.807 115.700 -0.057 0.000 2.572 61 S HA 0.228 4.698 4.470 -0.000 0.000 0.228 61 S C 0.896 175.550 174.600 0.090 0.000 0.963 61 S CA 0.217 58.459 58.200 0.071 0.000 0.939 61 S CB 0.137 63.400 63.200 0.105 0.000 0.804 61 S HN 0.558 nan 8.310 nan 0.000 0.480 62 K N 2.972 123.449 120.400 0.127 0.000 2.440 62 K HA 0.068 4.387 4.320 -0.000 0.000 0.270 62 K C 0.768 177.593 176.600 0.376 0.000 0.980 62 K CA 0.243 56.650 56.287 0.200 0.000 0.953 62 K CB 0.234 32.848 32.500 0.191 0.000 0.925 62 K HN 0.316 nan 8.250 nan 0.000 0.497 63 T N -0.325 114.381 114.554 0.253 0.000 2.828 63 T HA 0.277 4.626 4.350 -0.000 0.000 0.290 63 T C -0.151 174.553 174.700 0.005 0.000 1.019 63 T CA -0.941 61.309 62.100 0.250 0.000 1.031 63 T CB 0.687 69.605 68.868 0.082 0.000 1.001 63 T HN 0.311 nan 8.240 nan 0.000 0.531 64 L N 1.708 122.673 121.223 -0.430 0.000 2.296 64 L HA 0.685 5.025 4.340 -0.000 0.000 0.286 64 L C 0.243 176.856 176.870 -0.428 0.000 1.023 64 L CA -0.737 53.609 54.840 -0.823 0.000 0.812 64 L CB 0.604 41.636 42.059 -1.713 0.000 1.223 64 L HN 1.003 nan 8.230 nan 0.000 0.421 65 A N 3.623 126.254 122.820 -0.316 0.000 2.520 65 A HA 0.571 4.891 4.320 -0.000 0.000 0.245 65 A C 0.426 177.893 177.584 -0.195 0.000 1.072 65 A CA 0.644 52.561 52.037 -0.200 0.000 0.761 65 A CB -0.587 18.320 19.000 -0.156 0.000 1.004 65 A HN 1.029 nan 8.150 nan 0.000 0.499 66 G N 1.677 110.395 108.800 -0.138 0.000 2.725 66 G HA2 0.587 4.547 3.960 -0.000 0.000 0.288 66 G HA3 0.587 4.547 3.960 -0.000 0.000 0.288 66 G C -2.466 172.388 174.900 -0.078 0.000 1.399 66 G CA -1.022 44.009 45.100 -0.115 0.000 0.859 66 G HN 0.309 nan 8.290 nan 0.000 0.479 67 P HA -0.064 nan 4.420 nan 0.000 0.213 67 P C 1.349 178.626 177.300 -0.038 0.000 1.170 67 P CA 1.538 64.610 63.100 -0.047 0.000 0.898 67 P CB 0.155 31.831 31.700 -0.040 0.000 0.787 68 K N -0.982 119.398 120.400 -0.034 0.000 2.574 68 K HA 0.269 4.589 4.320 -0.000 0.000 0.193 68 K C 1.122 177.706 176.600 -0.027 0.000 1.035 68 K CA 0.516 56.787 56.287 -0.026 0.000 0.982 68 K CB -0.482 32.006 32.500 -0.021 0.000 0.795 68 K HN 0.277 nan 8.250 nan 0.000 0.491 69 G N 0.736 109.514 108.800 -0.037 0.000 2.362 69 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.517 69 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.517 69 G C -2.960 171.911 174.900 -0.048 0.000 1.256 69 G CA -1.370 43.708 45.100 -0.037 0.000 1.027 69 G HN -0.164 nan 8.290 nan 0.000 0.491 70 P HA 0.379 nan 4.420 nan 0.000 0.265 70 P C -0.108 177.174 177.300 -0.031 0.000 1.193 70 P CA 0.223 63.295 63.100 -0.046 0.000 0.765 70 P CB 0.322 32.011 31.700 -0.019 0.000 0.823 71 I N 2.632 123.172 120.570 -0.050 0.000 2.330 71 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 71 I C 0.970 177.175 176.117 0.146 0.000 1.001 71 I CA -0.573 60.732 61.300 0.009 0.000 1.193 71 I CB 1.210 39.181 38.000 -0.049 0.000 1.345 71 I HN 0.300 nan 8.210 nan 0.000 0.461 72 T N 2.480 117.115 114.554 0.135 0.000 2.918 72 T HA 0.208 4.558 4.350 -0.000 0.000 0.302 72 T C 0.121 174.933 174.700 0.186 0.000 1.045 72 T CA -0.771 61.423 62.100 0.158 0.000 1.114 72 T CB 0.756 69.657 68.868 0.055 0.000 0.965 72 T HN 0.506 nan 8.240 nan 0.000 0.540 73 Q N 1.920 121.759 119.800 0.064 0.000 2.286 73 Q HA 0.081 4.421 4.340 -0.000 0.000 0.290 73 Q C 1.167 177.003 176.000 -0.273 0.000 1.049 73 Q CA -0.073 55.563 55.803 -0.279 0.000 0.923 73 Q CB 0.603 29.095 28.738 -0.410 0.000 1.183 73 Q HN 0.702 nan 8.270 nan 0.000 0.383 74 M N 1.625 120.995 119.600 -0.382 0.000 2.193 74 M HA -0.053 4.426 4.480 -0.000 0.000 0.265 74 M C -0.378 175.447 176.300 -0.792 0.000 1.071 74 M CA 1.404 56.327 55.300 -0.627 0.000 1.140 74 M CB 0.438 32.537 32.600 -0.836 0.000 1.369 74 M HN 0.553 nan 8.290 nan 0.000 0.423 75 Y N -0.993 119.160 120.300 -0.245 0.000 2.425 75 Y HA 0.335 4.885 4.550 -0.000 0.000 0.344 75 Y C -0.419 175.386 175.900 -0.158 0.000 0.969 75 Y CA -1.068 56.940 58.100 -0.154 0.000 1.052 75 Y CB 1.640 40.086 38.460 -0.023 0.000 1.215 75 Y HN -0.238 nan 8.280 nan 0.000 0.451 76 T N 2.734 117.305 114.554 0.027 0.000 3.038 76 T HA 0.165 4.515 4.350 -0.000 0.000 0.344 76 T C -0.929 173.743 174.700 -0.048 0.000 1.054 76 T CA -0.782 61.308 62.100 -0.017 0.000 1.092 76 T CB 0.015 68.854 68.868 -0.047 0.000 1.031 76 T HN 0.467 nan 8.240 nan 0.000 0.482 77 N N 3.273 121.953 118.700 -0.033 0.000 2.816 77 N HA 0.199 4.939 4.740 -0.000 0.000 0.236 77 N C 1.115 176.529 175.510 -0.160 0.000 1.076 77 N CA -0.368 52.635 53.050 -0.078 0.000 0.902 77 N CB 0.904 39.376 38.487 -0.025 0.000 1.149 77 N HN 0.245 nan 8.380 nan 0.000 0.506 78 V N 1.642 121.370 119.914 -0.310 0.000 2.490 78 V HA -0.178 3.941 4.120 -0.000 0.000 0.250 78 V C 1.475 177.440 176.094 -0.215 0.000 1.061 78 V CA 1.412 63.441 62.300 -0.451 0.000 1.064 78 V CB -0.202 31.249 31.823 -0.619 0.000 0.670 78 V HN 0.486 nan 8.190 nan 0.000 0.461 79 D N -0.043 120.266 120.400 -0.153 0.000 2.144 79 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 79 D C 2.146 178.400 176.300 -0.077 0.000 0.984 79 D CA 1.125 55.067 54.000 -0.097 0.000 0.834 79 D CB -0.127 40.624 40.800 -0.081 0.000 0.955 79 D HN 0.498 nan 8.370 nan 0.000 0.465 80 Q N 0.169 119.923 119.800 -0.077 0.000 2.319 80 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 80 Q C -0.235 175.744 176.000 -0.035 0.000 0.896 80 Q CA -0.013 55.752 55.803 -0.063 0.000 0.942 80 Q CB 0.806 29.499 28.738 -0.076 0.000 1.083 80 Q HN 0.087 nan 8.270 nan 0.000 0.510 81 D N 0.670 121.058 120.400 -0.020 0.000 2.723 81 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 81 D C -1.379 174.958 176.300 0.061 0.000 1.138 81 D CA 0.418 54.452 54.000 0.056 0.000 0.676 81 D CB -1.039 39.809 40.800 0.081 0.000 1.069 81 D HN 0.224 nan 8.370 nan 0.000 0.430 82 L N 0.110 121.364 121.223 0.052 0.000 2.409 82 L HA 0.715 5.055 4.340 -0.000 0.000 0.272 82 L C -0.751 176.199 176.870 0.133 0.000 0.980 82 L CA -0.793 54.098 54.840 0.086 0.000 0.826 82 L CB 2.009 44.083 42.059 0.026 0.000 1.268 82 L HN 0.041 nan 8.230 nan 0.000 0.407 83 V N 1.336 121.327 119.914 0.129 0.000 3.074 83 V HA 1.111 5.231 4.120 -0.000 0.000 0.314 83 V C -0.331 175.716 176.094 -0.078 0.000 1.117 83 V CA 0.010 62.302 62.300 -0.013 0.000 1.014 83 V CB 1.652 33.332 31.823 -0.238 0.000 1.057 83 V HN 1.026 nan 8.190 nan 0.000 0.438 84 G N 1.174 109.755 108.800 -0.366 0.000 2.746 84 G HA2 0.586 4.546 3.960 -0.000 0.000 0.297 84 G HA3 0.586 4.546 3.960 -0.000 0.000 0.297 84 G C -1.617 172.913 174.900 -0.615 0.000 1.426 84 G CA -0.599 44.130 45.100 -0.618 0.000 0.989 84 G HN 0.762 nan 8.290 nan 0.000 0.520 85 W N 0.952 122.100 121.300 -0.253 0.000 2.627 85 W HA 0.433 5.092 4.660 -0.000 0.000 0.339 85 W C 0.362 176.742 176.519 -0.233 0.000 1.058 85 W CA -0.862 56.362 57.345 -0.202 0.000 1.223 85 W CB 1.773 31.153 29.460 -0.134 0.000 1.389 85 W HN 0.619 nan 8.180 nan 0.000 0.541 86 Q N 1.900 121.721 119.800 0.035 0.000 2.263 86 Q HA 0.296 4.636 4.340 -0.000 0.000 0.289 86 Q C 0.213 176.217 176.000 0.008 0.000 1.061 86 Q CA 0.017 55.811 55.803 -0.015 0.000 0.927 86 Q CB 0.763 29.491 28.738 -0.017 0.000 1.154 86 Q HN 0.452 nan 8.270 nan 0.000 0.378 87 A N 6.793 129.604 122.820 -0.015 0.000 2.566 87 A HA 0.215 4.534 4.320 -0.000 0.000 0.245 87 A C -2.032 175.543 177.584 -0.016 0.000 1.056 87 A CA -0.984 51.047 52.037 -0.009 0.000 0.757 87 A CB -0.346 18.651 19.000 -0.005 0.000 0.979 87 A HN 0.724 nan 8.150 nan 0.000 0.508 88 P HA 0.258 nan 4.420 nan 0.000 0.272 88 P C -2.703 174.580 177.300 -0.029 0.000 1.230 88 P CA -1.400 61.675 63.100 -0.041 0.000 0.788 88 P CB -0.494 31.165 31.700 -0.068 0.000 0.949 89 P HA 0.083 nan 4.420 nan 0.000 0.264 89 P C 1.070 178.357 177.300 -0.021 0.000 1.183 89 P CA 1.272 64.361 63.100 -0.019 0.000 0.763 89 P CB -0.144 31.545 31.700 -0.018 0.000 0.807 90 G N 1.688 110.479 108.800 -0.015 0.000 2.313 90 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 90 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 90 G C 0.408 175.300 174.900 -0.014 0.000 1.023 90 G CA -0.035 45.056 45.100 -0.015 0.000 0.626 90 G HN 0.847 nan 8.290 nan 0.000 0.503 91 A N 1.115 123.926 122.820 -0.015 0.000 2.462 91 A HA 0.700 5.019 4.320 -0.000 0.000 0.243 91 A C 0.706 178.292 177.584 0.002 0.000 1.076 91 A CA 0.485 52.516 52.037 -0.009 0.000 0.773 91 A CB 0.200 19.195 19.000 -0.010 0.000 1.010 91 A HN 0.614 nan 8.150 nan 0.000 0.493 92 R N 1.347 121.851 120.500 0.007 0.000 2.787 92 R HA 0.616 4.955 4.340 -0.000 0.000 0.271 92 R C -0.653 175.664 176.300 0.029 0.000 0.993 92 R CA -0.580 55.529 56.100 0.015 0.000 0.993 92 R CB 1.833 32.139 30.300 0.011 0.000 1.155 92 R HN 0.649 nan 8.270 nan 0.000 0.486 93 S N 1.327 117.049 115.700 0.036 0.000 2.549 93 S HA 0.405 4.875 4.470 -0.000 0.000 0.297 93 S C 0.039 174.665 174.600 0.043 0.000 1.115 93 S CA -0.796 57.438 58.200 0.056 0.000 1.059 93 S CB 0.961 64.203 63.200 0.070 0.000 1.046 93 S HN 0.291 nan 8.310 nan 0.000 0.506 94 L N 2.293 123.548 121.223 0.054 0.000 2.436 94 L HA 0.329 4.668 4.340 -0.000 0.000 0.265 94 L C 1.095 177.963 176.870 -0.004 0.000 1.168 94 L CA -0.387 54.472 54.840 0.032 0.000 0.815 94 L CB 0.582 42.670 42.059 0.048 0.000 1.109 94 L HN 0.676 nan 8.230 nan 0.000 0.462 95 T N 0.214 114.722 114.554 -0.076 0.000 2.837 95 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 95 T C -2.497 172.087 174.700 -0.193 0.000 0.984 95 T CA -2.038 59.959 62.100 -0.171 0.000 1.049 95 T CB 1.441 70.127 68.868 -0.303 0.000 0.947 95 T HN 0.212 nan 8.240 nan 0.000 0.472 96 P HA 0.127 nan 4.420 nan 0.000 0.265 96 P C -0.040 177.229 177.300 -0.051 0.000 1.193 96 P CA -0.552 62.507 63.100 -0.068 0.000 0.765 96 P CB 0.157 31.826 31.700 -0.052 0.000 0.823 97 C N 4.346 123.672 119.300 0.042 0.000 2.482 97 C HA 0.377 4.837 4.460 -0.000 0.000 0.378 97 C C 0.652 175.690 174.990 0.080 0.000 1.284 97 C CA 0.273 59.370 59.018 0.131 0.000 1.826 97 C CB -1.497 26.319 27.740 0.127 0.000 2.473 97 C HN 0.714 nan 8.230 nan 0.000 0.562 98 T N 2.361 116.975 114.554 0.100 0.000 3.401 98 T HA 0.359 4.708 4.350 -0.000 0.000 0.341 98 T C 0.149 174.889 174.700 0.066 0.000 1.674 98 T CA -0.181 61.956 62.100 0.062 0.000 1.600 98 T CB -0.251 68.642 68.868 0.041 0.000 0.974 98 T HN 1.168 nan 8.240 nan 0.000 0.672 99 C N -1.080 118.254 119.300 0.058 0.000 4.150 99 C HA 0.697 5.157 4.460 -0.000 0.000 0.330 99 C C 1.915 176.922 174.990 0.029 0.000 1.905 99 C CA 0.019 59.062 59.018 0.042 0.000 1.724 99 C CB -0.837 26.926 27.740 0.038 0.000 3.096 99 C HN 1.268 nan 8.230 nan 0.000 0.601 100 G N 2.320 111.139 108.800 0.031 0.000 2.269 100 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.277 100 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.277 100 G C 0.183 175.095 174.900 0.020 0.000 1.008 100 G CA 0.993 46.109 45.100 0.027 0.000 0.774 100 G HN 1.532 nan 8.290 nan 0.000 0.511 101 S N -0.710 115.001 115.700 0.017 0.000 2.533 101 S HA 0.485 4.955 4.470 -0.000 0.000 0.282 101 S C 1.448 176.049 174.600 0.002 0.000 1.304 101 S CA 0.623 58.829 58.200 0.010 0.000 1.063 101 S CB 0.855 64.062 63.200 0.011 0.000 0.881 101 S HN 0.460 nan 8.310 nan 0.000 0.493 102 S N 2.992 118.689 115.700 -0.005 0.000 2.540 102 S HA 0.173 4.643 4.470 -0.000 0.000 0.218 102 S C -0.453 174.113 174.600 -0.056 0.000 0.977 102 S CA -0.374 57.816 58.200 -0.017 0.000 0.918 102 S CB 0.059 63.256 63.200 -0.005 0.000 0.806 102 S HN 0.720 nan 8.310 nan 0.000 0.496 103 D N 2.178 122.541 120.400 -0.062 0.000 2.347 103 D HA 0.395 5.035 4.640 -0.000 0.000 0.235 103 D C -0.400 175.765 176.300 -0.225 0.000 1.149 103 D CA 0.145 54.059 54.000 -0.143 0.000 0.850 103 D CB 0.883 41.648 40.800 -0.059 0.000 1.061 103 D HN 0.213 nan 8.370 nan 0.000 0.487 104 L N 2.041 123.014 121.223 -0.417 0.000 2.301 104 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 104 L C -0.982 175.455 176.870 -0.722 0.000 1.016 104 L CA -1.086 53.531 54.840 -0.372 0.000 0.821 104 L CB 1.502 43.413 42.059 -0.246 0.000 1.346 104 L HN 0.262 nan 8.230 nan 0.000 0.429 105 Y N 1.469 121.721 120.300 -0.080 0.000 2.354 105 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 105 Y C -0.606 175.244 175.900 -0.084 0.000 1.011 105 Y CA -0.644 57.417 58.100 -0.065 0.000 1.099 105 Y CB 2.061 40.495 38.460 -0.043 0.000 1.179 105 Y HN 0.263 nan 8.280 nan 0.000 0.442 106 L N 4.509 125.738 121.223 0.010 0.000 2.282 106 L HA 0.751 5.091 4.340 -0.000 0.000 0.288 106 L C -1.196 175.663 176.870 -0.019 0.000 1.033 106 L CA -0.599 54.204 54.840 -0.061 0.000 0.807 106 L CB 1.088 43.036 42.059 -0.185 0.000 1.209 106 L HN 0.414 nan 8.230 nan 0.000 0.423 107 V N 4.463 124.368 119.914 -0.015 0.000 2.383 107 V HA 0.471 4.590 4.120 -0.000 0.000 0.275 107 V C 0.690 176.765 176.094 -0.031 0.000 1.036 107 V CA -0.125 62.174 62.300 -0.002 0.000 0.889 107 V CB 0.979 32.807 31.823 0.009 0.000 0.985 107 V HN 0.958 nan 8.190 nan 0.000 0.459 108 T N 2.059 116.586 114.554 -0.046 0.000 2.912 108 T HA 0.361 4.710 4.350 -0.000 0.000 0.280 108 T C 1.150 175.763 174.700 -0.146 0.000 0.989 108 T CA -0.496 61.535 62.100 -0.116 0.000 0.995 108 T CB 1.042 69.803 68.868 -0.179 0.000 1.077 108 T HN 0.724 nan 8.240 nan 0.000 0.531 109 R N -0.226 120.107 120.500 -0.278 0.000 2.241 109 R HA -0.064 4.276 4.340 -0.000 0.000 0.224 109 R C 1.100 177.248 176.300 -0.253 0.000 1.101 109 R CA 1.212 57.149 56.100 -0.271 0.000 0.995 109 R CB -0.603 29.517 30.300 -0.299 0.000 0.870 109 R HN 0.705 nan 8.270 nan 0.000 0.463 110 H N 0.202 119.250 119.070 -0.037 0.000 2.539 110 H HA 0.352 4.908 4.556 -0.000 0.000 0.269 110 H C 0.920 176.257 175.328 0.016 0.000 0.980 110 H CA 0.330 56.369 56.048 -0.014 0.000 1.152 110 H CB 0.862 30.604 29.762 -0.033 0.000 1.407 110 H HN 0.414 nan 8.280 nan 0.000 0.564 111 A N 0.879 123.740 122.820 0.068 0.000 2.945 111 A HA -0.189 4.131 4.320 -0.000 0.000 0.251 111 A C -0.243 177.397 177.584 0.092 0.000 1.355 111 A CA 0.706 52.782 52.037 0.064 0.000 0.905 111 A CB -1.894 17.154 19.000 0.080 0.000 1.104 111 A HN 0.331 nan 8.150 nan 0.000 0.733 112 D N -0.584 119.885 120.400 0.114 0.000 2.339 112 D HA 0.483 5.122 4.640 -0.000 0.000 0.245 112 D C 0.183 176.543 176.300 0.100 0.000 1.115 112 D CA 0.271 54.352 54.000 0.136 0.000 0.917 112 D CB 1.397 42.335 40.800 0.230 0.000 1.192 112 D HN 0.340 nan 8.370 nan 0.000 0.428 113 V N 2.845 122.821 119.914 0.103 0.000 2.378 113 V HA 0.346 4.466 4.120 -0.000 0.000 0.288 113 V C 0.182 176.359 176.094 0.138 0.000 1.016 113 V CA -0.801 61.562 62.300 0.105 0.000 0.840 113 V CB 1.029 32.900 31.823 0.079 0.000 0.994 113 V HN 0.357 nan 8.190 nan 0.000 0.431 114 I N 3.679 124.322 120.570 0.122 0.000 2.406 114 I HA 0.704 4.873 4.170 -0.000 0.000 0.290 114 I C -2.565 173.573 176.117 0.034 0.000 0.999 114 I CA -2.563 58.790 61.300 0.087 0.000 1.124 114 I CB 2.400 40.440 38.000 0.067 0.000 1.289 114 I HN 0.344 nan 8.210 nan 0.000 0.441 115 P HA 0.190 nan 4.420 nan 0.000 0.271 115 P C -0.748 176.428 177.300 -0.206 0.000 1.216 115 P CA -0.095 62.881 63.100 -0.207 0.000 0.771 115 P CB 1.788 33.425 31.700 -0.106 0.000 0.864 116 V N 4.042 123.774 119.914 -0.304 0.000 2.686 116 V HA 0.373 4.492 4.120 -0.000 0.000 0.306 116 V C 0.130 176.115 176.094 -0.182 0.000 1.065 116 V CA -0.803 61.387 62.300 -0.184 0.000 0.894 116 V CB 2.257 33.989 31.823 -0.153 0.000 1.004 116 V HN 0.455 nan 8.190 nan 0.000 0.424 117 R N 3.992 124.432 120.500 -0.100 0.000 2.207 117 R HA 0.385 4.724 4.340 -0.000 0.000 0.334 117 R C 0.022 176.312 176.300 -0.017 0.000 1.013 117 R CA -0.317 55.740 56.100 -0.070 0.000 0.858 117 R CB 0.465 30.736 30.300 -0.048 0.000 1.094 117 R HN 0.687 nan 8.270 nan 0.000 0.457 118 R N 3.556 124.051 120.500 -0.008 0.000 2.522 118 R HA 0.051 4.391 4.340 -0.000 0.000 0.284 118 R C 0.059 176.393 176.300 0.057 0.000 1.032 118 R CA 0.130 56.266 56.100 0.061 0.000 1.049 118 R CB 0.576 30.914 30.300 0.063 0.000 0.956 118 R HN 0.615 nan 8.270 nan 0.000 0.422 119 R N 1.962 122.509 120.500 0.078 0.000 2.257 119 R HA 0.242 4.582 4.340 -0.000 0.000 0.195 119 R C 0.749 177.069 176.300 0.033 0.000 0.921 119 R CA 0.673 56.799 56.100 0.042 0.000 1.069 119 R CB 0.746 31.065 30.300 0.032 0.000 1.115 119 R HN 0.762 nan 8.270 nan 0.000 0.571 120 G N -0.435 108.389 108.800 0.041 0.000 2.870 120 G HA2 0.190 4.150 3.960 -0.000 0.000 0.299 120 G HA3 0.190 4.150 3.960 -0.000 0.000 0.299 120 G C -0.504 174.403 174.900 0.011 0.000 1.324 120 G CA -0.376 44.729 45.100 0.007 0.000 0.808 120 G HN -0.198 nan 8.290 nan 0.000 0.535 121 D N -0.151 120.227 120.400 -0.037 0.000 2.218 121 D HA -0.059 4.581 4.640 -0.000 0.000 0.204 121 D C 2.139 178.335 176.300 -0.175 0.000 0.976 121 D CA 1.993 55.971 54.000 -0.038 0.000 0.853 121 D CB 0.224 40.993 40.800 -0.052 0.000 0.939 121 D HN 0.377 nan 8.370 nan 0.000 0.481 122 S N -1.539 113.913 115.700 -0.414 0.000 2.960 122 S HA 0.364 4.834 4.470 -0.000 0.000 0.256 122 S C 0.405 174.352 174.600 -1.088 0.000 1.017 122 S CA -0.671 56.887 58.200 -1.070 0.000 1.144 122 S CB 1.199 64.036 63.200 -0.605 0.000 1.109 122 S HN -0.149 nan 8.310 nan 0.000 0.638 123 R N 0.633 120.880 120.500 -0.422 0.000 2.744 123 R HA 0.848 5.187 4.340 -0.000 0.000 0.279 123 R C -0.461 175.969 176.300 0.215 0.000 0.977 123 R CA 0.164 56.225 56.100 -0.065 0.000 0.906 123 R CB 1.935 32.206 30.300 -0.048 0.000 1.197 123 R HN 0.354 nan 8.270 nan 0.000 0.463 124 G N 0.328 109.274 108.800 0.244 0.000 2.746 124 G HA2 0.405 4.364 3.960 -0.000 0.000 0.297 124 G HA3 0.405 4.364 3.960 -0.000 0.000 0.297 124 G C -1.336 173.621 174.900 0.094 0.000 1.426 124 G CA -0.626 44.576 45.100 0.170 0.000 0.989 124 G HN 0.594 nan 8.290 nan 0.000 0.520 125 S N 1.145 116.870 115.700 0.042 0.000 2.562 125 S HA 0.643 5.112 4.470 -0.000 0.000 0.275 125 S C 0.236 174.833 174.600 -0.005 0.000 1.281 125 S CA -0.709 57.503 58.200 0.019 0.000 1.045 125 S CB 1.372 64.576 63.200 0.006 0.000 0.962 125 S HN 0.545 nan 8.310 nan 0.000 0.503 126 L N 2.442 123.662 121.223 -0.004 0.000 2.397 126 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 126 L C 0.932 177.783 176.870 -0.031 0.000 1.148 126 L CA -0.718 54.108 54.840 -0.023 0.000 0.825 126 L CB 0.394 42.446 42.059 -0.012 0.000 1.117 126 L HN 0.653 nan 8.230 nan 0.000 0.456 127 L N 1.459 122.656 121.223 -0.043 0.000 2.179 127 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 127 L C 0.805 177.655 176.870 -0.033 0.000 1.096 127 L CA 1.027 55.843 54.840 -0.039 0.000 0.779 127 L CB -0.210 41.823 42.059 -0.043 0.000 0.922 127 L HN 0.711 nan 8.230 nan 0.000 0.443 128 S N -1.735 113.942 115.700 -0.038 0.000 2.779 128 S HA 0.606 5.076 4.470 -0.000 0.000 0.293 128 S C -2.632 171.937 174.600 -0.051 0.000 1.150 128 S CA -1.512 56.662 58.200 -0.043 0.000 1.057 128 S CB 1.198 64.368 63.200 -0.049 0.000 1.021 128 S HN -0.186 nan 8.310 nan 0.000 0.485 129 P HA 0.255 nan 4.420 nan 0.000 0.267 129 P C -0.362 176.906 177.300 -0.052 0.000 1.201 129 P CA -0.120 62.962 63.100 -0.032 0.000 0.775 129 P CB 0.386 32.071 31.700 -0.024 0.000 0.854 130 R N 1.685 122.166 120.500 -0.032 0.000 2.707 130 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 130 R C -2.771 173.547 176.300 0.029 0.000 1.011 130 R CA -2.141 53.929 56.100 -0.050 0.000 0.893 130 R CB 1.618 31.834 30.300 -0.141 0.000 1.233 130 R HN 0.252 nan 8.270 nan 0.000 0.464 131 P HA -0.075 nan 4.420 nan 0.000 0.265 131 P C 0.945 178.331 177.300 0.144 0.000 1.187 131 P CA -0.042 63.106 63.100 0.080 0.000 0.766 131 P CB 0.529 32.277 31.700 0.081 0.000 0.820 132 V N 1.572 121.562 119.914 0.126 0.000 2.490 132 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 132 V C 2.176 178.377 176.094 0.178 0.000 1.061 132 V CA 2.255 64.647 62.300 0.155 0.000 1.064 132 V CB -2.051 29.843 31.823 0.118 0.000 0.670 132 V HN 0.663 nan 8.190 nan 0.000 0.461 133 S N 0.029 115.824 115.700 0.158 0.000 2.420 133 S HA -0.319 4.150 4.470 -0.000 0.000 0.237 133 S C 1.912 176.631 174.600 0.197 0.000 1.023 133 S CA 1.849 60.140 58.200 0.152 0.000 0.991 133 S CB -0.998 62.278 63.200 0.127 0.000 0.792 133 S HN 0.739 nan 8.310 nan 0.000 0.488 134 Y N 1.819 122.188 120.300 0.115 0.000 2.314 134 Y HA 0.200 4.750 4.550 -0.000 0.000 0.293 134 Y C 1.863 177.873 175.900 0.183 0.000 1.129 134 Y CA 1.163 59.347 58.100 0.140 0.000 1.201 134 Y CB -0.106 38.411 38.460 0.095 0.000 0.999 134 Y HN 0.216 nan 8.280 nan 0.000 0.541 135 L N 0.304 121.616 121.223 0.149 0.000 2.446 135 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 135 L C 0.471 177.443 176.870 0.170 0.000 1.116 135 L CA 0.030 54.945 54.840 0.125 0.000 0.844 135 L CB -0.281 41.962 42.059 0.307 0.000 0.970 135 L HN -0.100 nan 8.230 nan 0.000 0.457 136 K N 1.472 121.957 120.400 0.141 0.000 2.472 136 K HA 0.159 4.478 4.320 -0.000 0.000 0.280 136 K C 1.065 177.721 176.600 0.094 0.000 1.028 136 K CA 0.838 57.200 56.287 0.126 0.000 1.045 136 K CB 0.079 32.645 32.500 0.110 0.000 0.902 136 K HN 0.292 nan 8.250 nan 0.000 0.478 137 G N 1.751 110.622 108.800 0.117 0.000 2.176 137 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 137 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 137 G C 0.630 175.596 174.900 0.111 0.000 0.986 137 G CA 0.285 45.454 45.100 0.114 0.000 0.643 137 G HN 0.466 nan 8.290 nan 0.000 0.522 138 S N 0.295 116.099 115.700 0.174 0.000 2.554 138 S HA 0.400 4.870 4.470 -0.000 0.000 0.226 138 S C 1.109 175.977 174.600 0.447 0.000 0.980 138 S CA 0.420 58.762 58.200 0.238 0.000 0.939 138 S CB 0.550 63.846 63.200 0.159 0.000 0.832 138 S HN 0.533 nan 8.310 nan 0.000 0.486 139 S N 1.352 117.225 115.700 0.288 0.000 2.563 139 S HA 0.357 4.827 4.470 -0.000 0.000 0.294 139 S C 1.430 176.161 174.600 0.218 0.000 1.279 139 S CA 0.928 59.194 58.200 0.110 0.000 1.069 139 S CB 0.452 63.621 63.200 -0.053 0.000 0.828 139 S HN 0.760 nan 8.310 nan 0.000 0.497 140 G N 2.437 111.356 108.800 0.198 0.000 2.213 140 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 140 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 140 G C 0.382 175.416 174.900 0.223 0.000 0.991 140 G CA -0.177 45.062 45.100 0.232 0.000 0.629 140 G HN 1.116 nan 8.290 nan 0.000 0.517 141 G N 0.983 109.926 108.800 0.239 0.000 2.539 141 G HA2 0.595 4.555 3.960 -0.000 0.000 0.258 141 G HA3 0.595 4.555 3.960 -0.000 0.000 0.258 141 G C -2.006 172.983 174.900 0.149 0.000 1.202 141 G CA -0.340 44.862 45.100 0.170 0.000 0.851 141 G HN 0.311 nan 8.290 nan 0.000 0.556 142 P HA 0.338 nan 4.420 nan 0.000 0.282 142 P C -0.862 176.438 177.300 0.000 0.000 1.249 142 P CA -0.602 62.528 63.100 0.050 0.000 0.806 142 P CB 1.782 33.508 31.700 0.043 0.000 0.984 143 L N 3.002 124.184 121.223 -0.068 0.000 2.295 143 L HA 0.416 4.755 4.340 -0.000 0.000 0.285 143 L C 0.233 177.042 176.870 -0.102 0.000 1.035 143 L CA -0.215 54.535 54.840 -0.151 0.000 0.806 143 L CB 0.775 42.598 42.059 -0.392 0.000 1.214 143 L HN 0.220 nan 8.230 nan 0.000 0.426 144 L N 1.932 123.143 121.223 -0.021 0.000 2.342 144 L HA 0.569 4.908 4.340 -0.000 0.000 0.271 144 L C -0.428 176.494 176.870 0.087 0.000 1.008 144 L CA -0.688 54.177 54.840 0.042 0.000 0.818 144 L CB 2.041 44.144 42.059 0.073 0.000 1.296 144 L HN 0.570 nan 8.230 nan 0.000 0.427 145 C N 1.770 121.114 119.300 0.073 0.000 2.500 145 C HA 0.203 4.663 4.460 -0.000 0.000 0.367 145 C C -0.818 174.229 174.990 0.096 0.000 1.283 145 C CA -0.585 58.480 59.018 0.078 0.000 2.456 145 C CB 0.963 28.719 27.740 0.027 0.000 2.457 145 C HN 0.655 nan 8.230 nan 0.000 0.632 146 P HA -0.115 nan 4.420 nan 0.000 0.218 146 P C 1.264 178.515 177.300 -0.081 0.000 1.146 146 P CA 1.670 64.792 63.100 0.036 0.000 0.813 146 P CB -0.068 31.669 31.700 0.060 0.000 0.778 147 S N -2.460 113.157 115.700 -0.139 0.000 2.603 147 S HA 0.241 4.711 4.470 -0.000 0.000 0.220 147 S C 1.692 176.182 174.600 -0.184 0.000 0.967 147 S CA 0.476 58.522 58.200 -0.256 0.000 0.920 147 S CB -1.098 61.769 63.200 -0.555 0.000 0.773 147 S HN 0.287 nan 8.310 nan 0.000 0.529 148 G N 0.909 109.669 108.800 -0.066 0.000 2.159 148 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.256 148 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.256 148 G C -0.166 174.838 174.900 0.173 0.000 0.977 148 G CA 0.144 45.265 45.100 0.036 0.000 0.652 148 G HN 0.642 nan 8.290 nan 0.000 0.531 149 H N 0.649 119.723 119.070 0.006 0.000 2.629 149 H HA 0.634 5.190 4.556 -0.000 0.000 0.357 149 H C 0.809 176.136 175.328 -0.002 0.000 1.121 149 H CA -0.020 56.031 56.048 0.005 0.000 1.406 149 H CB 1.154 30.919 29.762 0.005 0.000 1.456 149 H HN 0.574 nan 8.280 nan 0.000 0.579 150 A N 2.710 125.591 122.820 0.101 0.000 2.320 150 A HA 0.351 4.671 4.320 -0.000 0.000 0.287 150 A C 0.906 178.491 177.584 0.001 0.000 1.181 150 A CA -0.575 51.482 52.037 0.033 0.000 0.831 150 A CB 0.406 19.419 19.000 0.022 0.000 1.102 150 A HN 0.585 nan 8.150 nan 0.000 0.513 151 V N 2.233 122.115 119.914 -0.054 0.000 2.992 151 V HA 0.396 4.516 4.120 -0.000 0.000 0.250 151 V C 1.315 177.362 176.094 -0.078 0.000 1.090 151 V CA 1.498 63.748 62.300 -0.084 0.000 1.101 151 V CB -0.478 31.234 31.823 -0.185 0.000 0.743 151 V HN 1.312 nan 8.190 nan 0.000 0.468 152 G N 0.019 108.754 108.800 -0.110 0.000 2.320 152 G HA2 0.439 4.399 3.960 -0.000 0.000 0.296 152 G HA3 0.439 4.399 3.960 -0.000 0.000 0.296 152 G C -1.718 173.194 174.900 0.021 0.000 1.306 152 G CA -0.334 44.773 45.100 0.011 0.000 0.836 152 G HN 0.280 nan 8.290 nan 0.000 0.517 153 I N -2.459 118.188 120.570 0.127 0.000 2.530 153 I HA 0.794 4.963 4.170 -0.000 0.000 0.297 153 I C -0.491 175.806 176.117 0.300 0.000 1.011 153 I CA -1.205 60.198 61.300 0.171 0.000 1.107 153 I CB 2.064 40.152 38.000 0.146 0.000 1.285 153 I HN 0.373 nan 8.210 nan 0.000 0.436 154 F N 5.680 125.706 119.950 0.127 0.000 2.578 154 F HA 0.293 4.819 4.527 -0.000 0.000 0.381 154 F C 1.187 177.080 175.800 0.154 0.000 1.069 154 F CA -0.391 57.701 58.000 0.154 0.000 1.231 154 F CB 0.624 39.689 39.000 0.107 0.000 1.086 154 F HN 0.717 nan 8.300 nan 0.000 0.564 155 R N 3.579 123.917 120.500 -0.269 0.000 2.412 155 R HA 0.732 5.071 4.340 -0.000 0.000 0.212 155 R C -0.607 175.420 176.300 -0.455 0.000 0.878 155 R CA 0.276 56.213 56.100 -0.272 0.000 1.022 155 R CB 0.349 30.632 30.300 -0.029 0.000 1.265 155 R HN 0.526 nan 8.270 nan 0.000 0.620 156 A N 0.851 123.333 122.820 -0.564 0.000 2.604 156 A HA 0.771 5.091 4.320 -0.000 0.000 0.295 156 A C -1.637 175.934 177.584 -0.021 0.000 1.067 156 A CA -0.512 51.337 52.037 -0.313 0.000 0.683 156 A CB 1.555 20.460 19.000 -0.157 0.000 1.281 156 A HN 0.322 nan 8.150 nan 0.000 0.407 157 A N 0.499 123.365 122.820 0.076 0.000 2.312 157 A HA 0.681 5.000 4.320 -0.000 0.000 0.326 157 A C -0.512 177.131 177.584 0.099 0.000 1.172 157 A CA -0.441 51.718 52.037 0.202 0.000 0.821 157 A CB 0.779 19.918 19.000 0.232 0.000 1.166 157 A HN 1.473 nan 8.150 nan 0.000 0.493 158 V N 1.884 121.852 119.914 0.091 0.000 2.333 158 V HA 0.324 4.444 4.120 -0.000 0.000 0.274 158 V C -0.117 175.983 176.094 0.010 0.000 1.028 158 V CA -0.492 61.828 62.300 0.032 0.000 0.851 158 V CB 0.120 31.958 31.823 0.025 0.000 1.000 158 V HN 0.974 nan 8.190 nan 0.000 0.456 159 C N 3.252 122.532 119.300 -0.032 0.000 2.470 159 C HA 0.837 5.297 4.460 -0.000 0.000 0.341 159 C C 0.633 175.558 174.990 -0.108 0.000 1.190 159 C CA -0.595 58.393 59.018 -0.049 0.000 1.904 159 C CB 1.851 29.568 27.740 -0.039 0.000 2.354 159 C HN 0.903 nan 8.230 nan 0.000 0.509 160 T N -0.617 113.883 114.554 -0.091 0.000 2.864 160 T HA 0.481 4.831 4.350 -0.000 0.000 0.310 160 T C -0.107 174.532 174.700 -0.102 0.000 1.040 160 T CA -0.540 61.491 62.100 -0.115 0.000 0.977 160 T CB 0.261 69.080 68.868 -0.081 0.000 0.976 160 T HN 0.772 nan 8.240 nan 0.000 0.459 161 R N 2.191 122.604 120.500 -0.144 0.000 3.158 161 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 161 R C 1.334 177.608 176.300 -0.044 0.000 0.900 161 R CA 0.841 56.881 56.100 -0.099 0.000 0.618 161 R CB -2.042 28.216 30.300 -0.071 0.000 1.061 161 R HN 1.638 nan 8.270 nan 0.000 0.471 162 G N -1.680 107.098 108.800 -0.036 0.000 2.199 162 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 162 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 162 G C 0.132 175.043 174.900 0.019 0.000 0.982 162 G CA 0.040 45.147 45.100 0.011 0.000 0.632 162 G HN 0.310 nan 8.290 nan 0.000 0.529 163 V N 1.792 121.705 119.914 -0.002 0.000 2.328 163 V HA 0.728 4.848 4.120 -0.000 0.000 0.278 163 V C 0.858 176.959 176.094 0.011 0.000 1.021 163 V CA -0.386 61.918 62.300 0.007 0.000 0.838 163 V CB 1.110 32.928 31.823 -0.008 0.000 0.999 163 V HN 1.078 nan 8.190 nan 0.000 0.447 164 A N 4.898 127.743 122.820 0.041 0.000 2.492 164 A HA 0.408 4.728 4.320 -0.000 0.000 0.254 164 A C 0.882 178.486 177.584 0.034 0.000 1.091 164 A CA 0.070 52.141 52.037 0.057 0.000 0.768 164 A CB 0.155 19.222 19.000 0.110 0.000 1.028 164 A HN 0.937 nan 8.150 nan 0.000 0.498 165 K N 0.908 121.325 120.400 0.027 0.000 2.450 165 K HA 0.441 4.761 4.320 -0.000 0.000 0.206 165 K C 0.165 176.780 176.600 0.024 0.000 1.148 165 K CA 0.797 57.092 56.287 0.013 0.000 1.014 165 K CB 0.997 33.494 32.500 -0.004 0.000 0.966 165 K HN 0.809 nan 8.250 nan 0.000 0.566 166 A N 0.890 123.740 122.820 0.050 0.000 2.609 166 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 166 A C -1.405 176.259 177.584 0.133 0.000 1.096 166 A CA -0.742 51.338 52.037 0.070 0.000 0.684 166 A CB 1.473 20.505 19.000 0.052 0.000 1.282 166 A HN -0.039 nan 8.150 nan 0.000 0.412 167 V N -1.190 118.833 119.914 0.182 0.000 2.823 167 V HA 0.806 4.926 4.120 -0.000 0.000 0.312 167 V C -0.951 175.337 176.094 0.323 0.000 1.072 167 V CA -0.592 61.909 62.300 0.336 0.000 0.937 167 V CB 1.631 33.668 31.823 0.357 0.000 1.013 167 V HN 0.945 nan 8.190 nan 0.000 0.430 168 D N 2.845 123.424 120.400 0.297 0.000 2.192 168 D HA 0.738 5.378 4.640 -0.000 0.000 0.246 168 D C -0.768 175.657 176.300 0.210 0.000 1.042 168 D CA -0.388 53.676 54.000 0.106 0.000 0.847 168 D CB 1.538 42.333 40.800 -0.008 0.000 1.186 168 D HN 0.688 nan 8.370 nan 0.000 0.461 169 F N 1.044 121.047 119.950 0.090 0.000 2.613 169 F HA 0.622 5.149 4.527 -0.000 0.000 0.314 169 F C -1.288 174.523 175.800 0.018 0.000 1.075 169 F CA -1.394 56.657 58.000 0.085 0.000 0.945 169 F CB 0.765 39.840 39.000 0.125 0.000 1.310 169 F HN 0.014 nan 8.300 nan 0.000 0.467 170 V N 3.549 123.576 119.914 0.188 0.000 2.427 170 V HA 0.306 4.426 4.120 -0.000 0.000 0.268 170 V C -1.987 174.203 176.094 0.160 0.000 1.046 170 V CA -1.563 60.772 62.300 0.058 0.000 0.970 170 V CB 0.381 32.202 31.823 -0.004 0.000 1.001 170 V HN 0.583 nan 8.190 nan 0.000 0.476 171 P HA 0.085 nan 4.420 nan 0.000 0.274 171 P C 1.007 178.294 177.300 -0.022 0.000 1.231 171 P CA 0.025 63.223 63.100 0.164 0.000 0.790 171 P CB 1.508 33.263 31.700 0.091 0.000 0.951 172 V N 2.493 122.389 119.914 -0.030 0.000 2.469 172 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 172 V C 2.183 178.177 176.094 -0.167 0.000 1.064 172 V CA 2.202 64.418 62.300 -0.141 0.000 1.066 172 V CB -1.034 30.734 31.823 -0.092 0.000 0.667 172 V HN 0.591 nan 8.190 nan 0.000 0.461 173 E N -0.282 119.860 120.200 -0.096 0.000 2.204 173 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 173 E C 2.184 178.701 176.600 -0.139 0.000 0.990 173 E CA 1.531 57.873 56.400 -0.097 0.000 0.821 173 E CB -0.705 28.963 29.700 -0.054 0.000 0.750 173 E HN 0.643 nan 8.360 nan 0.000 0.477 174 S N 1.183 116.783 115.700 -0.167 0.000 2.383 174 S HA -0.033 4.437 4.470 -0.000 0.000 0.227 174 S C 2.071 176.482 174.600 -0.316 0.000 1.026 174 S CA 1.207 59.289 58.200 -0.198 0.000 0.981 174 S CB -0.229 62.864 63.200 -0.178 0.000 0.818 174 S HN 0.246 nan 8.310 nan 0.000 0.472 175 M N 0.977 120.282 119.600 -0.491 0.000 2.117 175 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 175 M C 2.278 178.318 176.300 -0.433 0.000 1.065 175 M CA 1.396 56.192 55.300 -0.839 0.000 1.114 175 M CB -0.435 31.421 32.600 -1.240 0.000 1.361 175 M HN 0.216 nan 8.290 nan 0.000 0.408 176 E N 0.064 120.104 120.200 -0.266 0.000 2.051 176 E HA -0.136 4.213 4.350 -0.000 0.000 0.192 176 E C 1.909 178.440 176.600 -0.115 0.000 0.991 176 E CA 1.924 58.241 56.400 -0.138 0.000 0.799 176 E CB 0.039 29.682 29.700 -0.095 0.000 0.748 176 E HN 0.393 nan 8.360 nan 0.000 0.449 177 T N -0.057 114.425 114.554 -0.121 0.000 2.607 177 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 177 T C 1.904 176.550 174.700 -0.090 0.000 1.049 177 T CA 1.941 63.988 62.100 -0.088 0.000 1.162 177 T CB -0.792 68.026 68.868 -0.083 0.000 0.863 177 T HN 0.241 nan 8.240 nan 0.000 0.424 178 T N 2.488 116.957 114.554 -0.142 0.000 2.620 178 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 178 T C 2.013 176.610 174.700 -0.171 0.000 1.044 178 T CA 1.637 63.648 62.100 -0.148 0.000 1.161 178 T CB -0.511 68.228 68.868 -0.214 0.000 0.862 178 T HN 0.348 nan 8.240 nan 0.000 0.438 179 M N 0.910 120.362 119.600 -0.247 0.000 2.279 179 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 179 M C 1.623 177.966 176.300 0.072 0.000 1.062 179 M CA 1.300 56.522 55.300 -0.130 0.000 1.099 179 M CB -0.241 32.334 32.600 -0.042 0.000 1.394 179 M HN 0.272 nan 8.290 nan 0.000 0.426 180 R N -0.770 119.747 120.500 0.028 0.000 2.831 180 R HA 0.383 4.723 4.340 -0.000 0.000 0.337 180 R C -0.687 175.642 176.300 0.048 0.000 1.200 180 R CA -0.210 55.919 56.100 0.048 0.000 1.088 180 R CB 0.058 30.373 30.300 0.025 0.000 1.397 180 R HN -0.079 nan 8.270 nan 0.000 0.581 181 S N 1.215 116.959 115.700 0.073 0.000 2.570 181 S HA 0.497 4.966 4.470 -0.000 0.000 0.286 181 S C -2.603 172.054 174.600 0.095 0.000 1.099 181 S CA -1.408 56.831 58.200 0.065 0.000 0.913 181 S CB 2.066 65.289 63.200 0.039 0.000 1.085 181 S HN 0.104 nan 8.310 nan 0.000 0.480 182 P HA 0.114 nan 4.420 nan 0.000 0.264 182 P C 0.501 177.829 177.300 0.047 0.000 1.193 182 P CA -0.094 63.057 63.100 0.085 0.000 0.763 182 P CB 0.405 32.154 31.700 0.081 0.000 0.810 183 V N 2.610 122.520 119.914 -0.008 0.000 2.591 183 V HA -0.070 4.050 4.120 -0.000 0.000 0.249 183 V C 0.670 176.500 176.094 -0.439 0.000 1.053 183 V CA 1.308 63.445 62.300 -0.270 0.000 1.068 183 V CB -0.645 30.889 31.823 -0.481 0.000 0.689 183 V HN 0.410 nan 8.190 nan 0.000 0.462 184 F N 0.768 120.714 119.950 -0.006 0.000 2.415 184 F HA 0.483 5.010 4.527 -0.000 0.000 0.348 184 F C 0.461 176.261 175.800 0.000 0.000 1.119 184 F CA -0.539 57.457 58.000 -0.007 0.000 1.069 184 F CB 1.347 40.340 39.000 -0.011 0.000 1.124 184 F HN -0.137 nan 8.300 nan 0.000 0.472 185 T N -0.797 113.841 114.554 0.141 0.000 3.141 185 T HA 0.148 4.498 4.350 -0.000 0.000 0.377 185 T C -0.876 173.883 174.700 0.098 0.000 1.258 185 T CA -0.857 61.296 62.100 0.090 0.000 1.263 185 T CB 0.462 69.352 68.868 0.038 0.000 1.066 185 T HN 0.506 nan 8.240 nan 0.000 0.546 186 D N 3.011 123.467 120.400 0.093 0.000 2.435 186 D HA 0.062 4.702 4.640 -0.000 0.000 0.230 186 D C -0.039 176.283 176.300 0.035 0.000 1.215 186 D CA -0.353 53.691 54.000 0.075 0.000 0.947 186 D CB 0.269 41.102 40.800 0.056 0.000 1.048 186 D HN 0.361 nan 8.370 nan 0.000 0.512 187 N N 2.044 120.760 118.700 0.027 0.000 2.597 187 N HA -0.048 4.691 4.740 -0.000 0.000 0.269 187 N C 1.161 176.656 175.510 -0.024 0.000 1.204 187 N CA -0.015 53.002 53.050 -0.054 0.000 0.947 187 N CB 0.582 38.914 38.487 -0.258 0.000 1.258 187 N HN 0.379 nan 8.380 nan 0.000 0.508 188 S N -1.954 113.751 115.700 0.008 0.000 2.527 188 S HA 0.134 4.604 4.470 -0.000 0.000 0.222 188 S C 0.880 175.475 174.600 -0.009 0.000 0.985 188 S CA -0.206 58.003 58.200 0.015 0.000 0.921 188 S CB 0.304 63.515 63.200 0.019 0.000 0.772 188 S HN -0.032 nan 8.310 nan 0.000 0.529 189 S N 3.699 119.386 115.700 -0.022 0.000 2.578 189 S HA 0.545 5.015 4.470 -0.000 0.000 0.283 189 S C -2.685 171.886 174.600 -0.048 0.000 1.195 189 S CA -1.240 56.937 58.200 -0.037 0.000 1.050 189 S CB 1.066 64.246 63.200 -0.034 0.000 1.012 189 S HN 0.303 nan 8.310 nan 0.000 0.511 190 P HA 0.201 nan 4.420 nan 0.000 0.264 190 P C -2.597 174.696 177.300 -0.011 0.000 1.193 190 P CA -1.024 62.029 63.100 -0.078 0.000 0.763 190 P CB -0.877 30.662 31.700 -0.269 0.000 0.810 191 P HA 0.075 nan 4.420 nan 0.000 0.267 191 P C -0.078 177.259 177.300 0.062 0.000 1.200 191 P CA 0.147 63.256 63.100 0.014 0.000 0.772 191 P CB 0.318 31.996 31.700 -0.037 0.000 0.855 192 A N 2.621 125.446 122.820 0.008 0.000 2.386 192 A HA 0.258 4.578 4.320 -0.000 0.000 0.248 192 A C -0.093 177.458 177.584 -0.055 0.000 1.082 192 A CA -0.396 51.648 52.037 0.012 0.000 0.789 192 A CB 0.030 19.028 19.000 -0.004 0.000 1.025 192 A HN 0.390 nan 8.150 nan 0.000 0.490 193 V N 4.812 124.669 119.914 -0.095 0.000 2.405 193 V HA 0.243 4.363 4.120 -0.000 0.000 0.264 193 V C -1.496 174.521 176.094 -0.129 0.000 1.048 193 V CA -0.867 61.288 62.300 -0.242 0.000 0.966 193 V CB 0.183 31.697 31.823 -0.515 0.000 1.015 193 V HN 0.896 nan 8.190 nan 0.000 0.477 194 P HA 0.164 nan 4.420 nan 0.000 0.276 194 P C 0.512 177.785 177.300 -0.044 0.000 1.261 194 P CA -0.450 62.602 63.100 -0.080 0.000 0.800 194 P CB 1.241 32.876 31.700 -0.109 0.000 1.066 195 Q N 0.726 120.516 119.800 -0.017 0.000 2.020 195 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 195 Q C 0.539 176.548 176.000 0.014 0.000 0.982 195 Q CA 1.259 57.066 55.803 0.006 0.000 0.838 195 Q CB -0.042 28.701 28.738 0.009 0.000 0.899 195 Q HN 0.652 nan 8.270 nan 0.000 0.423 196 S N -1.295 114.412 115.700 0.012 0.000 2.689 196 S HA 0.363 4.833 4.470 -0.000 0.000 0.306 196 S C -0.423 174.209 174.600 0.054 0.000 1.104 196 S CA -1.022 57.206 58.200 0.048 0.000 0.973 196 S CB 0.812 64.043 63.200 0.052 0.000 1.121 196 S HN 0.298 nan 8.310 nan 0.000 0.523 197 F N 2.208 122.133 119.950 -0.043 0.000 2.623 197 F HA 0.194 4.721 4.527 -0.000 0.000 0.386 197 F C 0.290 176.053 175.800 -0.061 0.000 1.068 197 F CA 0.971 58.938 58.000 -0.056 0.000 1.265 197 F CB 0.138 39.110 39.000 -0.045 0.000 1.026 197 F HN 0.515 nan 8.300 nan 0.000 0.568 198 Q N 4.797 124.066 119.800 -0.886 0.000 2.377 198 Q HA 0.460 4.800 4.340 -0.000 0.000 0.279 198 Q C -1.390 174.083 176.000 -0.878 0.000 1.049 198 Q CA -0.951 54.431 55.803 -0.702 0.000 0.825 198 Q CB 2.184 30.714 28.738 -0.345 0.000 1.401 198 Q HN 0.435 nan 8.270 nan 0.000 0.404 199 V N 0.825 120.381 119.914 -0.596 0.000 2.427 199 V HA 0.871 4.991 4.120 -0.000 0.000 0.286 199 V C -0.296 175.571 176.094 -0.377 0.000 1.034 199 V CA -0.358 61.663 62.300 -0.464 0.000 0.893 199 V CB 1.298 32.931 31.823 -0.317 0.000 0.982 199 V HN 0.878 nan 8.190 nan 0.000 0.452 200 A N 3.983 126.561 122.820 -0.403 0.000 2.532 200 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 200 A C -1.043 176.259 177.584 -0.470 0.000 1.143 200 A CA -0.669 51.163 52.037 -0.341 0.000 0.728 200 A CB 1.644 20.517 19.000 -0.212 0.000 1.317 200 A HN 0.843 nan 8.150 nan 0.000 0.414 201 H N -0.060 118.894 119.070 -0.193 0.000 2.524 201 H HA 0.572 5.128 4.556 -0.000 0.000 0.353 201 H C -1.574 173.548 175.328 -0.343 0.000 1.136 201 H CA -0.479 55.400 56.048 -0.281 0.000 1.193 201 H CB 1.979 31.493 29.762 -0.413 0.000 1.558 201 H HN 0.457 nan 8.280 nan 0.000 0.515 202 L N 3.789 124.914 121.223 -0.163 0.000 2.342 202 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 202 L C -1.147 175.747 176.870 0.040 0.000 0.997 202 L CA -0.278 54.506 54.840 -0.094 0.000 0.838 202 L CB 0.618 42.669 42.059 -0.012 0.000 1.224 202 L HN 0.628 nan 8.230 nan 0.000 0.416 203 H N 4.708 123.808 119.070 0.051 0.000 2.708 203 H HA 0.879 5.435 4.556 -0.000 0.000 0.320 203 H C -0.691 174.653 175.328 0.026 0.000 0.991 203 H CA -0.679 55.394 56.048 0.041 0.000 1.243 203 H CB 1.634 31.413 29.762 0.029 0.000 1.446 203 H HN 0.847 nan 8.280 nan 0.000 0.502 204 A N 4.284 127.193 122.820 0.147 0.000 2.612 204 A HA 0.525 4.844 4.320 -0.000 0.000 0.293 204 A C -3.007 174.617 177.584 0.067 0.000 1.075 204 A CA -1.770 50.316 52.037 0.080 0.000 0.680 204 A CB 1.270 20.304 19.000 0.055 0.000 1.279 204 A HN 0.355 nan 8.150 nan 0.000 0.411 205 P HA 0.229 nan 4.420 nan 0.000 0.269 205 P C 0.353 177.725 177.300 0.120 0.000 1.217 205 P CA 0.268 63.402 63.100 0.057 0.000 0.783 205 P CB 0.231 31.908 31.700 -0.037 0.000 0.898 206 T N -1.528 113.124 114.554 0.165 0.000 2.946 206 T HA 0.278 4.628 4.350 -0.000 0.000 0.312 206 T C 1.262 176.075 174.700 0.189 0.000 1.066 206 T CA 0.340 62.523 62.100 0.139 0.000 1.138 206 T CB -0.573 68.330 68.868 0.059 0.000 1.014 206 T HN 0.894 nan 8.240 nan 0.000 0.544 207 G N 1.930 110.803 108.800 0.121 0.000 2.184 207 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.264 207 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.264 207 G C 1.042 176.008 174.900 0.108 0.000 0.975 207 G CA 0.930 46.093 45.100 0.104 0.000 0.642 207 G HN 1.671 nan 8.290 nan 0.000 0.536 208 S N -1.029 114.734 115.700 0.105 0.000 2.436 208 S HA 0.420 4.889 4.470 -0.000 0.000 0.228 208 S C 2.022 176.664 174.600 0.070 0.000 1.014 208 S CA 1.550 59.796 58.200 0.076 0.000 0.950 208 S CB 0.320 63.553 63.200 0.055 0.000 0.784 208 S HN 2.291 nan 8.310 nan 0.000 0.504 209 G N 0.781 109.628 108.800 0.079 0.000 2.321 209 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.174 209 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.174 209 G C 0.663 175.587 174.900 0.040 0.000 1.008 209 G CA 0.063 45.210 45.100 0.078 0.000 0.739 209 G HN 0.394 nan 8.290 nan 0.000 0.502 210 K N 0.682 121.110 120.400 0.046 0.000 2.113 210 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 210 K C 2.218 178.818 176.600 -0.001 0.000 1.047 210 K CA 1.751 58.054 56.287 0.026 0.000 0.928 210 K CB -0.137 32.400 32.500 0.061 0.000 0.716 210 K HN 0.289 nan 8.250 nan 0.000 0.446 211 S N -0.413 115.293 115.700 0.010 0.000 2.548 211 S HA -0.005 4.465 4.470 -0.000 0.000 0.215 211 S C 1.539 176.043 174.600 -0.160 0.000 0.976 211 S CA 0.984 59.120 58.200 -0.107 0.000 0.908 211 S CB 0.356 63.487 63.200 -0.115 0.000 0.781 211 S HN 0.513 nan 8.310 nan 0.000 0.519 212 T N -0.059 114.477 114.554 -0.029 0.000 3.330 212 T HA 0.264 4.613 4.350 -0.000 0.000 0.240 212 T C 1.603 176.174 174.700 -0.215 0.000 0.988 212 T CA 0.003 62.118 62.100 0.026 0.000 1.253 212 T CB -0.384 68.668 68.868 0.307 0.000 1.163 212 T HN 0.099 nan 8.240 nan 0.000 0.382 213 K N 1.013 121.314 120.400 -0.165 0.000 2.063 213 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 213 K C 2.216 178.653 176.600 -0.272 0.000 1.048 213 K CA 1.618 57.724 56.287 -0.302 0.000 0.928 213 K CB -0.560 31.929 32.500 -0.019 0.000 0.713 213 K HN 0.237 nan 8.250 nan 0.000 0.442 214 V N 1.947 121.746 119.914 -0.190 0.000 2.261 214 V HA -0.153 3.966 4.120 -0.000 0.000 0.246 214 V C -1.034 174.924 176.094 -0.227 0.000 1.047 214 V CA 1.964 64.116 62.300 -0.246 0.000 1.015 214 V CB -1.017 30.704 31.823 -0.169 0.000 0.642 214 V HN 0.405 nan 8.190 nan 0.000 0.446 215 P HA -0.113 nan 4.420 nan 0.000 0.218 215 P C 1.573 178.843 177.300 -0.050 0.000 1.149 215 P CA 2.001 65.086 63.100 -0.025 0.000 0.817 215 P CB -0.095 31.515 31.700 -0.150 0.000 0.785 216 A N 0.550 123.273 122.820 -0.161 0.000 1.933 216 A HA -0.050 4.269 4.320 -0.000 0.000 0.218 216 A C 2.446 179.980 177.584 -0.083 0.000 1.175 216 A CA 2.097 54.045 52.037 -0.148 0.000 0.628 216 A CB -1.461 17.318 19.000 -0.369 0.000 0.814 216 A HN 0.229 nan 8.150 nan 0.000 0.444 217 A N -1.489 121.247 122.820 -0.139 0.000 1.897 217 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 217 A C 2.051 179.624 177.584 -0.019 0.000 1.181 217 A CA 1.376 53.347 52.037 -0.110 0.000 0.620 217 A CB -0.739 18.143 19.000 -0.196 0.000 0.821 217 A HN 0.509 nan 8.150 nan 0.000 0.443 218 Y N 0.108 120.413 120.300 0.007 0.000 2.165 218 Y HA -0.156 4.393 4.550 -0.000 0.000 0.286 218 Y C 2.940 178.928 175.900 0.146 0.000 1.155 218 Y CA 0.668 58.822 58.100 0.091 0.000 1.164 218 Y CB -0.903 37.561 38.460 0.008 0.000 0.978 218 Y HN 0.329 nan 8.280 nan 0.000 0.513 219 A N -0.286 122.664 122.820 0.216 0.000 1.930 219 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 219 A C 2.428 180.055 177.584 0.072 0.000 1.175 219 A CA 1.554 53.668 52.037 0.128 0.000 0.627 219 A CB -1.137 17.906 19.000 0.072 0.000 0.815 219 A HN 0.365 nan 8.150 nan 0.000 0.443 220 A N -0.674 122.181 122.820 0.059 0.000 2.067 220 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 220 A C 1.891 179.484 177.584 0.015 0.000 1.158 220 A CA 1.413 53.467 52.037 0.028 0.000 0.661 220 A CB -0.408 18.605 19.000 0.022 0.000 0.801 220 A HN 0.665 nan 8.150 nan 0.000 0.452 221 Q N -1.562 118.267 119.800 0.049 0.000 2.403 221 Q HA 0.304 4.644 4.340 -0.000 0.000 0.203 221 Q C 0.980 176.853 176.000 -0.213 0.000 0.932 221 Q CA 0.362 56.163 55.803 -0.003 0.000 0.945 221 Q CB 0.236 29.069 28.738 0.159 0.000 1.045 221 Q HN 0.819 nan 8.270 nan 0.000 0.511 222 G N -0.149 108.549 108.800 -0.172 0.000 2.144 222 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 222 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 222 G C -0.517 174.186 174.900 -0.329 0.000 0.988 222 G CA -0.518 44.426 45.100 -0.260 0.000 0.659 222 G HN 0.243 nan 8.290 nan 0.000 0.522 223 Y N 0.803 121.116 120.300 0.022 0.000 2.352 223 Y HA 0.588 5.138 4.550 -0.000 0.000 0.326 223 Y C 1.005 176.908 175.900 0.006 0.000 1.166 223 Y CA -0.700 57.400 58.100 0.000 0.000 1.182 223 Y CB 1.008 39.451 38.460 -0.028 0.000 1.216 223 Y HN -0.015 nan 8.280 nan 0.000 0.474 224 K N 2.433 122.941 120.400 0.180 0.000 2.248 224 K HA 0.547 4.867 4.320 -0.000 0.000 0.281 224 K C -1.275 175.451 176.600 0.211 0.000 1.054 224 K CA -0.532 55.846 56.287 0.151 0.000 0.903 224 K CB 1.133 33.673 32.500 0.067 0.000 1.077 224 K HN 0.320 nan 8.250 nan 0.000 0.474 225 V N 4.302 124.317 119.914 0.169 0.000 2.540 225 V HA 0.329 4.448 4.120 -0.000 0.000 0.302 225 V C -0.855 175.117 176.094 -0.202 0.000 1.035 225 V CA -1.080 61.207 62.300 -0.023 0.000 0.873 225 V CB 1.597 33.372 31.823 -0.081 0.000 0.992 225 V HN 0.570 nan 8.190 nan 0.000 0.428 226 L N 6.087 126.991 121.223 -0.533 0.000 2.313 226 L HA 0.744 5.084 4.340 -0.000 0.000 0.283 226 L C -0.622 175.899 176.870 -0.583 0.000 1.013 226 L CA 0.000 54.357 54.840 -0.805 0.000 0.816 226 L CB 1.744 42.979 42.059 -1.372 0.000 1.236 226 L HN 0.465 nan 8.230 nan 0.000 0.419 227 V N 6.674 126.241 119.914 -0.578 0.000 2.357 227 V HA 0.422 4.542 4.120 -0.000 0.000 0.284 227 V C -0.054 175.792 176.094 -0.413 0.000 1.018 227 V CA -0.512 61.488 62.300 -0.500 0.000 0.841 227 V CB 1.321 32.753 31.823 -0.652 0.000 0.991 227 V HN 0.599 nan 8.190 nan 0.000 0.437 228 L N 5.235 126.165 121.223 -0.489 0.000 2.272 228 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 228 L C 0.033 176.493 176.870 -0.683 0.000 1.032 228 L CA -0.131 54.267 54.840 -0.738 0.000 0.810 228 L CB 1.229 42.566 42.059 -1.204 0.000 1.205 228 L HN 0.590 nan 8.230 nan 0.000 0.422 229 N N 3.719 122.168 118.700 -0.419 0.000 2.240 229 N HA 0.408 5.148 4.740 -0.000 0.000 0.302 229 N C -2.297 173.255 175.510 0.069 0.000 1.106 229 N CA -1.693 51.331 53.050 -0.043 0.000 0.778 229 N CB 3.233 41.847 38.487 0.212 0.000 1.431 229 N HN 0.155 nan 8.380 nan 0.000 0.479 230 P HA 0.007 nan 4.420 nan 0.000 0.229 230 P C 0.044 177.431 177.300 0.146 0.000 1.160 230 P CA 0.644 63.903 63.100 0.266 0.000 0.777 230 P CB 0.323 32.117 31.700 0.157 0.000 0.814 231 S N -0.507 115.276 115.700 0.139 0.000 2.438 231 S HA 0.213 4.683 4.470 -0.000 0.000 0.293 231 S C 1.241 175.887 174.600 0.076 0.000 1.141 231 S CA -0.633 57.631 58.200 0.107 0.000 1.080 231 S CB 0.322 63.594 63.200 0.120 0.000 0.978 231 S HN -0.266 nan 8.310 nan 0.000 0.479 232 V N 5.923 125.872 119.914 0.059 0.000 2.255 232 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 232 V C 2.829 178.927 176.094 0.006 0.000 1.051 232 V CA 2.434 64.758 62.300 0.040 0.000 1.018 232 V CB -1.422 30.427 31.823 0.044 0.000 0.641 232 V HN 0.968 nan 8.190 nan 0.000 0.445 233 A N -0.025 122.789 122.820 -0.010 0.000 1.908 233 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 233 A C 2.413 179.992 177.584 -0.010 0.000 1.181 233 A CA 2.404 54.400 52.037 -0.068 0.000 0.627 233 A CB -0.839 17.981 19.000 -0.300 0.000 0.818 233 A HN 0.599 nan 8.150 nan 0.000 0.445 234 A N -1.184 121.618 122.820 -0.031 0.000 1.898 234 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 234 A C 2.313 179.472 177.584 -0.709 0.000 1.181 234 A CA 2.220 54.059 52.037 -0.331 0.000 0.620 234 A CB -1.278 17.620 19.000 -0.169 0.000 0.819 234 A HN 0.436 nan 8.150 nan 0.000 0.442 235 T N 0.892 115.320 114.554 -0.210 0.000 2.684 235 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 235 T C 1.816 176.462 174.700 -0.089 0.000 1.036 235 T CA 1.608 63.715 62.100 0.011 0.000 1.148 235 T CB -0.497 68.451 68.868 0.133 0.000 0.863 235 T HN 0.375 nan 8.240 nan 0.000 0.436 236 L N 0.738 121.909 121.223 -0.087 0.000 2.079 236 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 236 L C 3.035 179.830 176.870 -0.125 0.000 1.081 236 L CA 1.393 56.194 54.840 -0.066 0.000 0.752 236 L CB -1.142 40.894 42.059 -0.039 0.000 0.896 236 L HN 0.371 nan 8.230 nan 0.000 0.433 237 G N -0.032 108.616 108.800 -0.254 0.000 2.440 237 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.218 237 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.218 237 G C 1.297 176.043 174.900 -0.257 0.000 1.154 237 G CA 0.543 45.456 45.100 -0.311 0.000 0.767 237 G HN 0.189 nan 8.290 nan 0.000 0.552 238 F N 1.722 121.557 119.950 -0.192 0.000 2.171 238 F HA 0.050 4.577 4.527 -0.000 0.000 0.300 238 F C 2.874 178.567 175.800 -0.179 0.000 1.090 238 F CA 0.465 58.275 58.000 -0.318 0.000 1.293 238 F CB -1.060 37.336 39.000 -1.006 0.000 1.013 238 F HN 0.175 nan 8.300 nan 0.000 0.486 239 G N -0.474 108.339 108.800 0.022 0.000 2.442 239 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 239 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 239 G C 1.829 176.766 174.900 0.060 0.000 1.141 239 G CA 0.918 46.053 45.100 0.059 0.000 0.763 239 G HN 0.477 nan 8.290 nan 0.000 0.554 240 A N -1.143 121.706 122.820 0.047 0.000 2.072 240 A HA 0.285 4.604 4.320 -0.000 0.000 0.216 240 A C 2.025 179.666 177.584 0.094 0.000 1.156 240 A CA 1.196 53.262 52.037 0.049 0.000 0.701 240 A CB -0.248 18.764 19.000 0.020 0.000 0.816 240 A HN 0.443 nan 8.150 nan 0.000 0.458 241 Y N -0.920 119.372 120.300 -0.014 0.000 2.441 241 Y HA 0.122 4.672 4.550 -0.000 0.000 0.288 241 Y C 2.045 177.973 175.900 0.046 0.000 1.118 241 Y CA 0.923 59.025 58.100 0.002 0.000 1.215 241 Y CB 0.052 38.515 38.460 0.006 0.000 1.118 241 Y HN 0.143 nan 8.280 nan 0.000 0.547 242 M N -0.671 118.958 119.600 0.048 0.000 2.254 242 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 242 M C 2.425 178.711 176.300 -0.023 0.000 1.066 242 M CA 1.328 56.651 55.300 0.039 0.000 1.123 242 M CB -1.265 31.450 32.600 0.191 0.000 1.388 242 M HN 0.313 nan 8.290 nan 0.000 0.425 243 S N 0.621 116.308 115.700 -0.022 0.000 2.353 243 S HA -0.198 4.271 4.470 -0.000 0.000 0.222 243 S C 2.021 176.568 174.600 -0.088 0.000 1.035 243 S CA 1.786 59.970 58.200 -0.027 0.000 1.025 243 S CB -0.067 63.127 63.200 -0.012 0.000 0.902 243 S HN 0.510 nan 8.310 nan 0.000 0.440 244 K N -0.016 120.293 120.400 -0.152 0.000 2.243 244 K HA 0.168 4.488 4.320 -0.000 0.000 0.201 244 K C 2.026 178.450 176.600 -0.294 0.000 1.051 244 K CA 0.889 57.067 56.287 -0.182 0.000 0.970 244 K CB -0.349 32.059 32.500 -0.155 0.000 0.755 244 K HN 0.368 nan 8.250 nan 0.000 0.465 245 A N 0.159 122.680 122.820 -0.499 0.000 1.970 245 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 245 A C 1.111 178.251 177.584 -0.739 0.000 1.170 245 A CA 0.937 52.542 52.037 -0.720 0.000 0.645 245 A CB -0.171 18.053 19.000 -1.294 0.000 0.816 245 A HN 0.422 nan 8.150 nan 0.000 0.447 246 H N -2.447 116.525 119.070 -0.164 0.000 3.182 246 H HA 0.251 4.807 4.556 -0.000 0.000 0.254 246 H C 1.150 176.450 175.328 -0.047 0.000 1.197 246 H CA 0.262 56.266 56.048 -0.074 0.000 1.061 246 H CB 0.232 29.974 29.762 -0.034 0.000 1.722 246 H HN 0.600 nan 8.280 nan 0.000 0.662 247 G N 2.099 110.904 108.800 0.009 0.000 2.249 247 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.273 247 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.273 247 G C 0.102 175.024 174.900 0.037 0.000 1.036 247 G CA 0.787 45.892 45.100 0.009 0.000 0.824 247 G HN 0.485 nan 8.290 nan 0.000 0.504 248 I N -0.632 119.973 120.570 0.059 0.000 2.569 248 I HA 0.563 4.733 4.170 -0.000 0.000 0.290 248 I C -1.511 174.654 176.117 0.080 0.000 1.088 248 I CA -1.202 60.140 61.300 0.070 0.000 1.047 248 I CB 1.948 39.999 38.000 0.085 0.000 1.237 248 I HN -0.028 nan 8.210 nan 0.000 0.421 249 D N 9.799 130.242 120.400 0.071 0.000 2.485 249 D HA 0.430 5.069 4.640 -0.000 0.000 0.229 249 D C -2.487 173.874 176.300 0.102 0.000 1.101 249 D CA -2.034 52.013 54.000 0.077 0.000 0.906 249 D CB 1.155 41.986 40.800 0.051 0.000 1.019 249 D HN 0.204 nan 8.370 nan 0.000 0.516 250 P HA 0.141 nan 4.420 nan 0.000 0.276 250 P C -0.187 177.212 177.300 0.165 0.000 1.244 250 P CA -0.570 62.642 63.100 0.186 0.000 0.801 250 P CB 0.864 32.781 31.700 0.362 0.000 1.006 251 N N 1.310 120.096 118.700 0.143 0.000 2.441 251 N HA 0.142 4.881 4.740 -0.000 0.000 0.251 251 N C -0.071 175.542 175.510 0.172 0.000 1.242 251 N CA 0.315 53.445 53.050 0.132 0.000 0.898 251 N CB 0.339 38.897 38.487 0.118 0.000 1.100 251 N HN 0.332 nan 8.380 nan 0.000 0.443 252 I N 1.633 122.289 120.570 0.144 0.000 2.533 252 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 252 I C -0.008 176.179 176.117 0.116 0.000 1.056 252 I CA -0.405 60.988 61.300 0.154 0.000 1.057 252 I CB 1.810 39.889 38.000 0.130 0.000 1.240 252 I HN 0.315 nan 8.210 nan 0.000 0.423 253 R N 3.894 124.463 120.500 0.115 0.000 2.467 253 R HA 0.600 4.940 4.340 -0.000 0.000 0.299 253 R C -0.497 175.850 176.300 0.078 0.000 1.120 253 R CA -0.469 55.684 56.100 0.090 0.000 0.940 253 R CB 2.235 32.590 30.300 0.091 0.000 1.161 253 R HN 0.819 nan 8.270 nan 0.000 0.506 254 T N -2.595 111.998 114.554 0.065 0.000 2.812 254 T HA 0.381 4.731 4.350 -0.000 0.000 0.294 254 T C 1.135 175.859 174.700 0.040 0.000 1.159 254 T CA -0.368 61.763 62.100 0.051 0.000 1.008 254 T CB 1.611 70.507 68.868 0.047 0.000 1.289 254 T HN 0.345 nan 8.240 nan 0.000 0.514 255 G N 0.168 108.984 108.800 0.026 0.000 2.459 255 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 255 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 255 G C 1.456 176.373 174.900 0.028 0.000 1.183 255 G CA 1.611 46.723 45.100 0.020 0.000 0.776 255 G HN 1.479 nan 8.290 nan 0.000 0.552 256 V N -2.661 117.270 119.914 0.027 0.000 3.461 256 V HA 0.445 4.565 4.120 -0.000 0.000 0.267 256 V C 0.846 176.959 176.094 0.031 0.000 1.186 256 V CA 0.789 63.106 62.300 0.029 0.000 1.154 256 V CB -0.373 31.465 31.823 0.026 0.000 0.802 256 V HN 0.284 nan 8.190 nan 0.000 0.474 257 R N -0.074 120.448 120.500 0.036 0.000 2.585 257 R HA 0.472 4.812 4.340 -0.000 0.000 0.288 257 R C -1.527 174.803 176.300 0.050 0.000 1.194 257 R CA -0.055 56.069 56.100 0.040 0.000 1.006 257 R CB 1.726 32.048 30.300 0.036 0.000 1.229 257 R HN 0.317 nan 8.270 nan 0.000 0.412 258 T N 5.946 120.530 114.554 0.050 0.000 2.833 258 T HA 0.484 4.833 4.350 -0.000 0.000 0.297 258 T C -0.550 174.183 174.700 0.056 0.000 1.015 258 T CA -0.551 61.584 62.100 0.058 0.000 0.963 258 T CB 0.666 69.567 68.868 0.055 0.000 0.955 258 T HN 0.290 nan 8.240 nan 0.000 0.449 259 I N 2.992 123.601 120.570 0.065 0.000 2.465 259 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 259 I C 0.302 176.458 176.117 0.066 0.000 1.014 259 I CA -0.734 60.602 61.300 0.060 0.000 1.093 259 I CB 1.748 39.785 38.000 0.062 0.000 1.267 259 I HN 0.461 nan 8.210 nan 0.000 0.431 260 T N 4.194 118.781 114.554 0.055 0.000 2.756 260 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 260 T C 1.144 175.872 174.700 0.046 0.000 0.985 260 T CA -0.355 61.777 62.100 0.053 0.000 0.955 260 T CB 0.922 69.816 68.868 0.043 0.000 0.930 260 T HN 0.794 nan 8.240 nan 0.000 0.451 261 T N -0.476 114.109 114.554 0.052 0.000 3.014 261 T HA 0.356 4.706 4.350 -0.000 0.000 0.250 261 T C 1.817 176.538 174.700 0.036 0.000 1.060 261 T CA 0.453 62.580 62.100 0.044 0.000 1.040 261 T CB 0.058 68.958 68.868 0.053 0.000 0.971 261 T HN 0.908 nan 8.240 nan 0.000 0.497 262 G N 1.653 110.475 108.800 0.037 0.000 2.159 262 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.256 262 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.256 262 G C 0.397 175.313 174.900 0.027 0.000 0.977 262 G CA 0.032 45.147 45.100 0.024 0.000 0.652 262 G HN 1.171 nan 8.290 nan 0.000 0.531 263 A N 0.556 123.401 122.820 0.043 0.000 2.429 263 A HA 0.611 4.931 4.320 -0.000 0.000 0.242 263 A C -0.119 177.494 177.584 0.048 0.000 1.088 263 A CA -0.005 52.059 52.037 0.046 0.000 0.784 263 A CB 0.412 19.450 19.000 0.063 0.000 1.038 263 A HN 0.209 nan 8.150 nan 0.000 0.501 264 P HA 0.165 nan 4.420 nan 0.000 0.253 264 P C -0.538 176.805 177.300 0.072 0.000 1.260 264 P CA 0.361 63.492 63.100 0.052 0.000 0.800 264 P CB -0.005 31.718 31.700 0.038 0.000 1.162 265 V N -0.211 119.735 119.914 0.053 0.000 2.604 265 V HA 0.422 4.542 4.120 -0.000 0.000 0.305 265 V C -0.058 176.033 176.094 -0.004 0.000 1.043 265 V CA -0.167 62.124 62.300 -0.013 0.000 0.888 265 V CB 2.250 34.043 31.823 -0.050 0.000 0.995 265 V HN -0.109 nan 8.190 nan 0.000 0.429 266 T N 4.049 118.540 114.554 -0.105 0.000 2.841 266 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 266 T C -1.186 173.345 174.700 -0.282 0.000 0.991 266 T CA -0.329 61.734 62.100 -0.062 0.000 0.966 266 T CB 0.874 69.771 68.868 0.047 0.000 0.962 266 T HN 0.403 nan 8.240 nan 0.000 0.438 267 Y N 1.589 121.877 120.300 -0.019 0.000 2.330 267 Y HA 0.614 5.164 4.550 -0.000 0.000 0.336 267 Y C 0.782 176.673 175.900 -0.016 0.000 1.036 267 Y CA -0.384 57.697 58.100 -0.033 0.000 1.125 267 Y CB 1.714 40.221 38.460 0.079 0.000 1.194 267 Y HN 0.590 nan 8.280 nan 0.000 0.469 268 S N 1.479 117.206 115.700 0.045 0.000 2.569 268 S HA 0.587 5.057 4.470 -0.000 0.000 0.280 268 S C -0.490 174.079 174.600 -0.052 0.000 1.111 268 S CA -0.781 57.429 58.200 0.017 0.000 0.887 268 S CB 0.903 64.100 63.200 -0.006 0.000 1.095 268 S HN 0.702 nan 8.310 nan 0.000 0.476 269 T N 1.663 116.212 114.554 -0.007 0.000 2.828 269 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 269 T C 0.806 175.463 174.700 -0.072 0.000 1.019 269 T CA -0.104 61.976 62.100 -0.033 0.000 1.031 269 T CB 0.064 68.958 68.868 0.043 0.000 1.001 269 T HN 0.628 nan 8.240 nan 0.000 0.531 270 Y N 1.133 121.439 120.300 0.010 0.000 2.224 270 Y HA 0.058 4.608 4.550 -0.000 0.000 0.289 270 Y C 2.807 178.734 175.900 0.045 0.000 1.146 270 Y CA 1.738 59.850 58.100 0.020 0.000 1.182 270 Y CB -1.027 37.410 38.460 -0.038 0.000 0.983 270 Y HN 0.891 nan 8.280 nan 0.000 0.524 271 G N -0.303 108.586 108.800 0.148 0.000 2.433 271 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 271 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 271 G C 1.676 176.612 174.900 0.061 0.000 1.186 271 G CA 1.241 46.385 45.100 0.072 0.000 0.779 271 G HN 0.219 nan 8.290 nan 0.000 0.543 272 K N 0.277 120.719 120.400 0.070 0.000 2.097 272 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 272 K C 2.025 178.671 176.600 0.076 0.000 1.049 272 K CA 0.905 57.234 56.287 0.069 0.000 0.933 272 K CB -0.703 31.837 32.500 0.066 0.000 0.717 272 K HN 0.258 nan 8.250 nan 0.000 0.442 273 F N 0.808 120.722 119.950 -0.060 0.000 2.095 273 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 273 F C 1.520 177.259 175.800 -0.102 0.000 1.104 273 F CA 1.594 59.548 58.000 -0.077 0.000 1.232 273 F CB -0.314 38.622 39.000 -0.107 0.000 0.987 273 F HN -0.006 nan 8.300 nan 0.000 0.475 274 L N 0.039 121.105 121.223 -0.262 0.000 2.046 274 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 274 L C 2.842 179.500 176.870 -0.354 0.000 1.077 274 L CA 1.192 55.687 54.840 -0.574 0.000 0.747 274 L CB -1.244 40.178 42.059 -1.063 0.000 0.896 274 L HN 0.278 nan 8.230 nan 0.000 0.432 275 A N -0.294 122.482 122.820 -0.074 0.000 1.933 275 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 275 A C 1.762 179.361 177.584 0.025 0.000 1.175 275 A CA 1.917 54.033 52.037 0.133 0.000 0.628 275 A CB -0.463 18.637 19.000 0.167 0.000 0.814 275 A HN 0.363 nan 8.150 nan 0.000 0.444 276 D N -1.261 119.106 120.400 -0.055 0.000 2.363 276 D HA 0.239 4.878 4.640 -0.000 0.000 0.226 276 D C 1.303 177.528 176.300 -0.125 0.000 1.020 276 D CA 1.148 55.112 54.000 -0.060 0.000 0.892 276 D CB -0.019 40.761 40.800 -0.033 0.000 0.900 276 D HN 0.649 nan 8.370 nan 0.000 0.531 277 G N -0.488 108.189 108.800 -0.206 0.000 2.144 277 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.218 277 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.218 277 G C 0.860 175.550 174.900 -0.351 0.000 0.988 277 G CA 0.127 45.100 45.100 -0.210 0.000 0.659 277 G HN 0.796 nan 8.290 nan 0.000 0.522 278 G N -1.366 107.002 108.800 -0.720 0.000 2.498 278 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.245 278 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.245 278 G C 0.583 175.209 174.900 -0.456 0.000 1.204 278 G CA 0.330 44.780 45.100 -1.083 0.000 0.933 278 G HN 1.601 nan 8.290 nan 0.000 0.574 279 C N 0.901 120.182 119.300 -0.032 0.000 2.629 279 C HA 0.615 5.075 4.460 -0.000 0.000 0.410 279 C C 1.290 176.328 174.990 0.080 0.000 1.339 279 C CA 0.655 59.776 59.018 0.173 0.000 1.810 279 C CB 0.223 28.067 27.740 0.174 0.000 2.549 279 C HN 0.954 nan 8.230 nan 0.000 0.589 280 S N 2.378 118.152 115.700 0.123 0.000 2.499 280 S HA 0.523 4.992 4.470 -0.000 0.000 0.279 280 S C 0.556 175.179 174.600 0.038 0.000 1.219 280 S CA -0.345 57.889 58.200 0.057 0.000 1.062 280 S CB 0.565 63.795 63.200 0.051 0.000 0.978 280 S HN 1.057 nan 8.310 nan 0.000 0.489 281 G N 2.650 111.454 108.800 0.007 0.000 2.150 281 G HA2 0.379 4.339 3.960 -0.000 0.000 0.250 281 G HA3 0.379 4.339 3.960 -0.000 0.000 0.250 281 G C 1.203 176.090 174.900 -0.021 0.000 1.179 281 G CA 0.133 45.229 45.100 -0.006 0.000 0.934 281 G HN 1.869 nan 8.290 nan 0.000 0.453 282 G N 1.272 110.061 108.800 -0.018 0.000 2.166 282 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.260 282 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.260 282 G C 1.309 176.155 174.900 -0.090 0.000 0.986 282 G CA 1.130 46.208 45.100 -0.037 0.000 0.683 282 G HN 1.745 nan 8.290 nan 0.000 0.527 283 A N -1.448 121.293 122.820 -0.132 0.000 1.970 283 A HA 0.533 4.852 4.320 -0.000 0.000 0.216 283 A C 0.726 177.914 177.584 -0.659 0.000 1.170 283 A CA 1.377 53.172 52.037 -0.404 0.000 0.645 283 A CB 0.100 18.824 19.000 -0.460 0.000 0.816 283 A HN 0.837 nan 8.150 nan 0.000 0.447 284 Y N -1.334 118.965 120.300 -0.002 0.000 2.492 284 Y HA 0.348 4.897 4.550 -0.000 0.000 0.346 284 Y C 0.228 176.118 175.900 -0.015 0.000 0.997 284 Y CA -1.302 56.788 58.100 -0.017 0.000 1.025 284 Y CB 1.536 39.972 38.460 -0.039 0.000 1.263 284 Y HN 0.088 nan 8.280 nan 0.000 0.454 285 D N 1.608 122.095 120.400 0.145 0.000 2.183 285 D HA 0.120 4.760 4.640 -0.000 0.000 0.205 285 D C 0.048 176.316 176.300 -0.053 0.000 0.962 285 D CA 1.473 55.512 54.000 0.065 0.000 0.849 285 D CB 0.891 41.780 40.800 0.148 0.000 0.978 285 D HN 0.347 nan 8.370 nan 0.000 0.488 286 I N 1.366 121.877 120.570 -0.099 0.000 2.466 286 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 286 I C -0.619 175.364 176.117 -0.223 0.000 1.026 286 I CA -0.581 60.562 61.300 -0.262 0.000 1.078 286 I CB 2.710 40.399 38.000 -0.519 0.000 1.249 286 I HN -0.314 nan 8.210 nan 0.000 0.429 287 I N 6.843 127.283 120.570 -0.217 0.000 2.355 287 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 287 I C -0.309 175.651 176.117 -0.263 0.000 0.999 287 I CA -0.504 60.633 61.300 -0.270 0.000 1.163 287 I CB 1.455 39.322 38.000 -0.220 0.000 1.316 287 I HN 0.368 nan 8.210 nan 0.000 0.454 288 I N 5.655 126.052 120.570 -0.288 0.000 2.297 288 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 288 I C -0.108 175.882 176.117 -0.212 0.000 1.033 288 I CA -0.345 60.825 61.300 -0.217 0.000 1.253 288 I CB 0.953 38.845 38.000 -0.179 0.000 1.396 288 I HN 0.595 nan 8.210 nan 0.000 0.476 289 C N 5.268 124.493 119.300 -0.124 0.000 2.305 289 C HA 0.132 4.592 4.460 -0.000 0.000 0.378 289 C C 0.713 175.744 174.990 0.068 0.000 1.047 289 C CA -0.429 58.594 59.018 0.008 0.000 1.385 289 C CB -1.601 26.173 27.740 0.057 0.000 1.825 289 C HN 0.595 nan 8.230 nan 0.000 0.508 290 D N 2.060 122.481 120.400 0.035 0.000 2.344 290 D HA 0.098 4.737 4.640 -0.000 0.000 0.244 290 D C 0.650 177.036 176.300 0.144 0.000 1.134 290 D CA 0.447 54.487 54.000 0.067 0.000 0.930 290 D CB 0.687 41.498 40.800 0.017 0.000 1.175 290 D HN 0.550 nan 8.370 nan 0.000 0.437 291 E N 1.102 121.380 120.200 0.130 0.000 2.269 291 E HA -0.221 4.129 4.350 -0.000 0.000 0.223 291 E C 1.117 177.579 176.600 -0.231 0.000 1.244 291 E CA 0.603 57.011 56.400 0.013 0.000 0.713 291 E CB -2.568 27.140 29.700 0.013 0.000 1.178 291 E HN 0.548 nan 8.360 nan 0.000 0.370 292 C N -1.137 118.154 119.300 -0.015 0.000 2.546 292 C HA 0.058 4.518 4.460 -0.000 0.000 0.275 292 C C 2.097 177.065 174.990 -0.036 0.000 1.393 292 C CA 0.230 59.228 59.018 -0.032 0.000 1.703 292 C CB -1.304 26.465 27.740 0.048 0.000 1.710 292 C HN 0.617 nan 8.230 nan 0.000 0.581 293 H N 0.059 119.155 119.070 0.042 0.000 2.529 293 H HA 0.087 4.643 4.556 -0.000 0.000 0.277 293 H C 0.654 175.976 175.328 -0.009 0.000 0.999 293 H CA 0.740 56.801 56.048 0.021 0.000 1.256 293 H CB -0.639 29.131 29.762 0.013 0.000 1.402 293 H HN 0.429 nan 8.280 nan 0.000 0.566 294 S N 2.022 117.434 115.700 -0.480 0.000 2.525 294 S HA 0.072 4.542 4.470 -0.000 0.000 0.285 294 S C 0.974 175.420 174.600 -0.256 0.000 1.283 294 S CA 0.445 58.471 58.200 -0.291 0.000 1.072 294 S CB 0.772 63.783 63.200 -0.315 0.000 0.867 294 S HN 0.681 nan 8.310 nan 0.000 0.492 295 T N -1.226 113.187 114.554 -0.235 0.000 3.266 295 T HA 0.124 4.474 4.350 -0.000 0.000 0.278 295 T C 0.064 174.527 174.700 -0.396 0.000 1.010 295 T CA -0.840 61.004 62.100 -0.427 0.000 0.909 295 T CB -0.387 68.227 68.868 -0.425 0.000 1.122 295 T HN 0.693 nan 8.240 nan 0.000 0.536 296 D N 1.569 121.800 120.400 -0.282 0.000 2.382 296 D HA 0.025 4.664 4.640 -0.000 0.000 0.240 296 D C 1.406 177.520 176.300 -0.309 0.000 1.146 296 D CA 0.151 54.008 54.000 -0.239 0.000 0.897 296 D CB 1.527 42.228 40.800 -0.165 0.000 1.197 296 D HN 0.269 nan 8.370 nan 0.000 0.432 297 S N 1.683 117.223 115.700 -0.267 0.000 2.383 297 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 297 S C 1.760 176.212 174.600 -0.247 0.000 1.030 297 S CA 1.635 59.670 58.200 -0.276 0.000 1.002 297 S CB -0.944 62.116 63.200 -0.234 0.000 0.829 297 S HN 0.638 nan 8.310 nan 0.000 0.467 298 T N 2.124 116.568 114.554 -0.183 0.000 2.720 298 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 298 T C 2.001 176.564 174.700 -0.229 0.000 1.037 298 T CA 1.985 64.010 62.100 -0.125 0.000 1.144 298 T CB -1.078 67.758 68.868 -0.052 0.000 0.864 298 T HN 0.604 nan 8.240 nan 0.000 0.444 299 T N 2.650 116.985 114.554 -0.365 0.000 2.708 299 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 299 T C 1.991 176.335 174.700 -0.593 0.000 1.037 299 T CA 0.816 62.485 62.100 -0.717 0.000 1.146 299 T CB -0.323 68.152 68.868 -0.654 0.000 0.865 299 T HN 0.191 nan 8.240 nan 0.000 0.435 300 I N 1.034 121.290 120.570 -0.524 0.000 2.118 300 I HA -0.117 4.053 4.170 -0.000 0.000 0.241 300 I C 2.377 178.257 176.117 -0.396 0.000 1.070 300 I CA 1.244 62.160 61.300 -0.640 0.000 1.327 300 I CB -1.360 36.150 38.000 -0.817 0.000 1.034 300 I HN 0.218 nan 8.210 nan 0.000 0.405 301 L N 1.304 122.343 121.223 -0.306 0.000 2.093 301 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 301 L C 2.394 179.207 176.870 -0.096 0.000 1.085 301 L CA 2.005 56.725 54.840 -0.200 0.000 0.755 301 L CB -1.134 40.808 42.059 -0.195 0.000 0.904 301 L HN 0.203 nan 8.230 nan 0.000 0.435 302 G N -0.367 108.382 108.800 -0.086 0.000 2.404 302 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 302 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 302 G C 1.627 176.632 174.900 0.174 0.000 1.174 302 G CA 1.042 46.232 45.100 0.151 0.000 0.780 302 G HN 0.439 nan 8.290 nan 0.000 0.537 303 I N 1.275 121.853 120.570 0.014 0.000 2.315 303 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 303 I C 3.052 179.268 176.117 0.165 0.000 1.117 303 I CA 0.900 62.262 61.300 0.104 0.000 1.404 303 I CB -0.416 37.644 38.000 0.100 0.000 1.071 303 I HN 0.255 nan 8.210 nan 0.000 0.419 304 G N 0.351 109.274 108.800 0.206 0.000 2.422 304 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 304 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 304 G C 1.648 176.614 174.900 0.111 0.000 1.146 304 G CA 1.346 46.553 45.100 0.179 0.000 0.769 304 G HN 0.281 nan 8.290 nan 0.000 0.547 305 T N 0.880 115.503 114.554 0.114 0.000 2.708 305 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 305 T C 2.552 177.364 174.700 0.186 0.000 1.037 305 T CA 1.214 63.393 62.100 0.131 0.000 1.146 305 T CB -0.303 68.658 68.868 0.155 0.000 0.865 305 T HN 0.061 nan 8.240 nan 0.000 0.435 306 V N 1.621 121.667 119.914 0.221 0.000 2.287 306 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 306 V C 2.489 178.645 176.094 0.102 0.000 1.053 306 V CA 1.613 63.999 62.300 0.143 0.000 1.027 306 V CB -0.689 31.141 31.823 0.012 0.000 0.646 306 V HN 0.438 nan 8.190 nan 0.000 0.447 307 L N -0.062 121.216 121.223 0.092 0.000 2.201 307 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 307 L C 2.251 179.155 176.870 0.056 0.000 1.105 307 L CA 1.859 56.753 54.840 0.091 0.000 0.775 307 L CB -0.547 41.549 42.059 0.062 0.000 0.913 307 L HN 0.430 nan 8.230 nan 0.000 0.440 308 D N -0.664 119.763 120.400 0.045 0.000 2.194 308 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 308 D C 2.145 178.428 176.300 -0.029 0.000 0.964 308 D CA 1.095 55.101 54.000 0.010 0.000 0.846 308 D CB 0.291 41.103 40.800 0.019 0.000 0.962 308 D HN 0.289 nan 8.370 nan 0.000 0.490 309 Q N -0.778 119.016 119.800 -0.009 0.000 2.378 309 Q HA 0.307 4.647 4.340 -0.000 0.000 0.229 309 Q C 2.042 178.003 176.000 -0.065 0.000 0.882 309 Q CA 0.406 56.193 55.803 -0.026 0.000 0.936 309 Q CB 0.440 29.194 28.738 0.026 0.000 1.092 309 Q HN 0.243 nan 8.270 nan 0.000 0.535 310 A N 1.870 124.654 122.820 -0.060 0.000 1.892 310 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 310 A C 1.932 179.360 177.584 -0.260 0.000 1.188 310 A CA 1.958 53.960 52.037 -0.058 0.000 0.631 310 A CB -0.492 18.570 19.000 0.103 0.000 0.822 310 A HN 0.429 nan 8.150 nan 0.000 0.447 311 E N -1.104 118.681 120.200 -0.692 0.000 2.072 311 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 311 E C 1.979 178.369 176.600 -0.350 0.000 0.985 311 E CA 1.583 57.459 56.400 -0.872 0.000 0.801 311 E CB -0.202 28.720 29.700 -1.297 0.000 0.750 311 E HN 0.520 nan 8.360 nan 0.000 0.452 312 T N 0.281 114.683 114.554 -0.253 0.000 2.788 312 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 312 T C 1.590 176.239 174.700 -0.085 0.000 1.044 312 T CA 1.198 63.217 62.100 -0.135 0.000 1.139 312 T CB -0.192 68.616 68.868 -0.101 0.000 0.867 312 T HN 0.310 nan 8.240 nan 0.000 0.454 313 A N 0.118 122.895 122.820 -0.072 0.000 2.235 313 A HA 0.493 4.813 4.320 -0.000 0.000 0.208 313 A C 1.890 179.470 177.584 -0.007 0.000 1.172 313 A CA 0.895 52.921 52.037 -0.020 0.000 0.786 313 A CB -0.774 18.240 19.000 0.024 0.000 0.804 313 A HN 0.712 nan 8.150 nan 0.000 0.479 314 G N -2.105 106.678 108.800 -0.029 0.000 2.175 314 G HA2 0.084 4.044 3.960 -0.000 0.000 0.244 314 G HA3 0.084 4.044 3.960 -0.000 0.000 0.244 314 G C 0.459 175.382 174.900 0.039 0.000 0.982 314 G CA 0.216 45.315 45.100 -0.002 0.000 0.641 314 G HN 1.612 nan 8.290 nan 0.000 0.527 315 A N -0.102 122.755 122.820 0.063 0.000 2.498 315 A HA 0.651 4.971 4.320 -0.000 0.000 0.239 315 A C 1.324 179.031 177.584 0.205 0.000 1.068 315 A CA 0.900 53.013 52.037 0.127 0.000 0.766 315 A CB 0.229 19.328 19.000 0.164 0.000 1.003 315 A HN 0.417 nan 8.150 nan 0.000 0.497 316 R N -0.164 120.396 120.500 0.100 0.000 2.223 316 R HA 0.200 4.540 4.340 -0.000 0.000 0.198 316 R C -0.697 175.553 176.300 -0.083 0.000 0.984 316 R CA 0.394 56.528 56.100 0.058 0.000 1.018 316 R CB 0.087 30.367 30.300 -0.033 0.000 0.945 316 R HN 0.590 nan 8.270 nan 0.000 0.479 317 L N 0.290 121.417 121.223 -0.160 0.000 2.493 317 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 317 L C -1.461 175.242 176.870 -0.279 0.000 0.954 317 L CA -0.660 53.977 54.840 -0.338 0.000 0.844 317 L CB 2.333 44.155 42.059 -0.395 0.000 1.302 317 L HN -0.339 nan 8.230 nan 0.000 0.405 318 V N 5.409 125.113 119.914 -0.350 0.000 2.398 318 V HA 0.601 4.721 4.120 -0.000 0.000 0.286 318 V C -0.475 175.454 176.094 -0.276 0.000 1.026 318 V CA -0.618 61.541 62.300 -0.236 0.000 0.868 318 V CB 1.855 33.598 31.823 -0.134 0.000 0.982 318 V HN 0.526 nan 8.190 nan 0.000 0.443 319 V N 6.615 126.393 119.914 -0.227 0.000 2.417 319 V HA 0.440 4.560 4.120 -0.000 0.000 0.291 319 V C -0.163 175.834 176.094 -0.160 0.000 1.024 319 V CA -0.523 61.658 62.300 -0.199 0.000 0.861 319 V CB 1.689 33.437 31.823 -0.126 0.000 0.985 319 V HN 0.640 nan 8.190 nan 0.000 0.436 320 L N 5.129 126.234 121.223 -0.195 0.000 2.287 320 L HA 0.697 5.037 4.340 -0.000 0.000 0.280 320 L C 0.453 177.344 176.870 0.035 0.000 1.055 320 L CA -0.149 54.632 54.840 -0.097 0.000 0.863 320 L CB 0.924 42.881 42.059 -0.171 0.000 1.245 320 L HN 0.729 nan 8.230 nan 0.000 0.432 321 A N 2.511 125.371 122.820 0.067 0.000 2.317 321 A HA 0.836 5.156 4.320 -0.000 0.000 0.327 321 A C -0.153 177.551 177.584 0.201 0.000 1.178 321 A CA -0.385 51.726 52.037 0.124 0.000 0.817 321 A CB 1.664 20.707 19.000 0.072 0.000 1.189 321 A HN 0.512 nan 8.150 nan 0.000 0.489 322 T N 0.044 114.760 114.554 0.270 0.000 2.893 322 T HA 0.479 4.829 4.350 -0.000 0.000 0.337 322 T C 0.509 175.314 174.700 0.175 0.000 1.587 322 T CA 0.389 62.649 62.100 0.268 0.000 1.066 322 T CB 1.033 70.089 68.868 0.314 0.000 1.414 322 T HN 1.489 nan 8.240 nan 0.000 0.488 323 A N 1.748 124.622 122.820 0.090 0.000 2.123 323 A HA 0.315 4.635 4.320 -0.000 0.000 0.214 323 A C 1.150 178.691 177.584 -0.072 0.000 1.152 323 A CA 1.377 53.422 52.037 0.014 0.000 0.728 323 A CB -0.280 18.721 19.000 0.001 0.000 0.814 323 A HN 1.242 nan 8.150 nan 0.000 0.464 324 T N -1.177 113.305 114.554 -0.120 0.000 3.317 324 T HA 0.488 4.838 4.350 -0.000 0.000 0.361 324 T C -3.013 171.611 174.700 -0.126 0.000 1.499 324 T CA -1.831 60.177 62.100 -0.153 0.000 1.529 324 T CB 1.518 70.260 68.868 -0.209 0.000 0.997 324 T HN 0.085 nan 8.240 nan 0.000 0.624 325 P HA 0.381 nan 4.420 nan 0.000 0.274 325 P C -2.827 174.385 177.300 -0.147 0.000 1.256 325 P CA -1.858 61.081 63.100 -0.268 0.000 0.795 325 P CB -0.371 30.892 31.700 -0.729 0.000 1.038 326 P HA 0.066 nan 4.420 nan 0.000 0.263 326 P C 1.020 178.232 177.300 -0.146 0.000 1.195 326 P CA 1.512 64.559 63.100 -0.089 0.000 0.762 326 P CB -0.366 31.270 31.700 -0.107 0.000 0.799 327 G N 2.074 110.832 108.800 -0.070 0.000 2.234 327 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.235 327 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.235 327 G C 0.383 175.295 174.900 0.021 0.000 0.997 327 G CA 0.179 45.266 45.100 -0.021 0.000 0.623 327 G HN 0.769 nan 8.290 nan 0.000 0.514 328 S N 0.022 115.703 115.700 -0.032 0.000 2.579 328 S HA 0.632 5.102 4.470 -0.000 0.000 0.275 328 S C 0.483 175.079 174.600 -0.008 0.000 1.345 328 S CA 0.188 58.364 58.200 -0.040 0.000 1.031 328 S CB 1.936 65.085 63.200 -0.085 0.000 0.892 328 S HN 1.877 nan 8.310 nan 0.000 0.529 329 V N -0.889 119.018 119.914 -0.013 0.000 2.919 329 V HA 0.661 4.780 4.120 -0.000 0.000 0.316 329 V C 0.124 176.199 176.094 -0.033 0.000 1.077 329 V CA -1.041 61.251 62.300 -0.014 0.000 0.977 329 V CB 1.110 32.933 31.823 0.000 0.000 1.039 329 V HN 0.897 nan 8.190 nan 0.000 0.441 330 T N 3.228 117.754 114.554 -0.046 0.000 2.853 330 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 330 T C 0.080 174.755 174.700 -0.041 0.000 0.978 330 T CA 0.241 62.304 62.100 -0.062 0.000 1.152 330 T CB 0.494 69.305 68.868 -0.095 0.000 0.914 330 T HN 1.279 nan 8.240 nan 0.000 0.539 331 V N 2.064 121.960 119.914 -0.029 0.000 3.046 331 V HA 0.740 4.860 4.120 -0.000 0.000 0.316 331 V C -2.722 173.372 176.094 0.001 0.000 1.104 331 V CA -3.087 59.206 62.300 -0.012 0.000 1.006 331 V CB 0.839 32.658 31.823 -0.007 0.000 1.058 331 V HN 0.486 nan 8.190 nan 0.000 0.440 332 P HA 0.110 nan 4.420 nan 0.000 0.264 332 P C -0.747 176.581 177.300 0.046 0.000 1.183 332 P CA 0.527 63.649 63.100 0.037 0.000 0.763 332 P CB -0.072 31.646 31.700 0.030 0.000 0.807 333 H N 4.878 123.942 119.070 -0.010 0.000 2.488 333 H HA 0.188 4.744 4.556 -0.000 0.000 0.322 333 H C -1.647 173.687 175.328 0.011 0.000 1.078 333 H CA -2.114 53.930 56.048 -0.007 0.000 1.260 333 H CB 1.405 31.154 29.762 -0.020 0.000 1.425 333 H HN 0.239 nan 8.280 nan 0.000 0.471 334 P HA -0.131 nan 4.420 nan 0.000 0.217 334 P C 0.706 178.091 177.300 0.141 0.000 1.148 334 P CA 1.077 64.188 63.100 0.019 0.000 0.828 334 P CB 0.521 32.179 31.700 -0.071 0.000 0.783 335 N N -1.072 117.828 118.700 0.334 0.000 2.412 335 N HA 0.083 4.822 4.740 -0.000 0.000 0.184 335 N C 0.357 175.965 175.510 0.162 0.000 1.101 335 N CA 0.424 53.616 53.050 0.236 0.000 0.881 335 N CB 0.128 38.755 38.487 0.235 0.000 0.969 335 N HN 0.244 nan 8.380 nan 0.000 0.459 336 I N 0.757 121.439 120.570 0.186 0.000 2.410 336 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 336 I C 0.058 176.256 176.117 0.135 0.000 1.009 336 I CA -0.709 60.658 61.300 0.111 0.000 1.111 336 I CB 1.981 39.993 38.000 0.021 0.000 1.262 336 I HN -0.103 nan 8.210 nan 0.000 0.443 337 E N 7.245 127.525 120.200 0.133 0.000 2.229 337 E HA 0.261 4.611 4.350 -0.000 0.000 0.283 337 E C -0.846 175.870 176.600 0.194 0.000 1.030 337 E CA -0.419 56.064 56.400 0.138 0.000 0.836 337 E CB 0.992 30.755 29.700 0.104 0.000 1.068 337 E HN 0.536 nan 8.360 nan 0.000 0.401 338 E N 2.892 123.230 120.200 0.229 0.000 2.166 338 E HA 0.416 4.766 4.350 -0.000 0.000 0.275 338 E C -1.127 175.636 176.600 0.271 0.000 0.941 338 E CA -0.954 55.660 56.400 0.357 0.000 0.784 338 E CB 2.261 32.245 29.700 0.472 0.000 1.115 338 E HN 0.218 nan 8.360 nan 0.000 0.399 339 V N 1.532 121.536 119.914 0.150 0.000 2.532 339 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 339 V C 0.008 175.820 176.094 -0.469 0.000 1.036 339 V CA -1.096 61.163 62.300 -0.069 0.000 0.876 339 V CB 1.435 33.221 31.823 -0.062 0.000 1.012 339 V HN 0.845 nan 8.190 nan 0.000 0.432 340 A N 5.414 127.806 122.820 -0.715 0.000 2.498 340 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 340 A C 0.134 177.371 177.584 -0.578 0.000 1.068 340 A CA 0.011 51.335 52.037 -1.187 0.000 0.766 340 A CB 0.094 18.700 19.000 -0.657 0.000 1.003 340 A HN 0.849 nan 8.150 nan 0.000 0.497 341 L N 2.025 122.948 121.223 -0.500 0.000 2.473 341 L HA 0.303 4.642 4.340 -0.000 0.000 0.268 341 L C 1.205 177.981 176.870 -0.155 0.000 1.215 341 L CA 0.093 54.790 54.840 -0.237 0.000 0.823 341 L CB 0.750 42.732 42.059 -0.129 0.000 1.099 341 L HN 0.986 nan 8.230 nan 0.000 0.483 342 S N -0.064 115.581 115.700 -0.092 0.000 2.801 342 S HA 0.324 4.794 4.470 -0.000 0.000 0.312 342 S C 0.251 174.838 174.600 -0.022 0.000 1.112 342 S CA -0.837 57.332 58.200 -0.052 0.000 0.943 342 S CB 1.099 64.271 63.200 -0.047 0.000 1.269 342 S HN 0.578 nan 8.310 nan 0.000 0.558 343 N N 0.184 118.878 118.700 -0.011 0.000 2.398 343 N HA 0.161 4.901 4.740 -0.000 0.000 0.188 343 N C -0.652 174.857 175.510 -0.002 0.000 1.122 343 N CA 0.302 53.353 53.050 0.002 0.000 0.866 343 N CB 0.123 38.612 38.487 0.004 0.000 0.970 343 N HN 0.526 nan 8.380 nan 0.000 0.462 344 T N 0.403 114.949 114.554 -0.012 0.000 2.767 344 T HA 0.679 5.028 4.350 -0.000 0.000 0.288 344 T C 0.414 175.103 174.700 -0.018 0.000 0.963 344 T CA -0.602 61.490 62.100 -0.014 0.000 1.019 344 T CB 1.454 70.312 68.868 -0.018 0.000 0.923 344 T HN 0.245 nan 8.240 nan 0.000 0.468 345 G N 2.282 111.074 108.800 -0.013 0.000 2.347 345 G HA2 0.259 4.219 3.960 -0.000 0.000 0.303 345 G HA3 0.259 4.219 3.960 -0.000 0.000 0.303 345 G C -0.258 174.637 174.900 -0.009 0.000 1.481 345 G CA -0.790 44.299 45.100 -0.018 0.000 0.914 345 G HN 0.436 nan 8.290 nan 0.000 0.638 346 E N -0.731 119.462 120.200 -0.013 0.000 2.285 346 E HA 0.160 4.510 4.350 -0.000 0.000 0.194 346 E C 0.850 177.453 176.600 0.005 0.000 0.997 346 E CA 0.772 57.169 56.400 -0.006 0.000 0.845 346 E CB 0.210 29.904 29.700 -0.011 0.000 0.782 346 E HN 0.476 nan 8.360 nan 0.000 0.491 347 I N 1.713 122.288 120.570 0.009 0.000 2.382 347 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 347 I C -2.445 173.717 176.117 0.075 0.000 1.007 347 I CA -2.742 58.577 61.300 0.032 0.000 1.142 347 I CB 1.701 39.711 38.000 0.017 0.000 1.289 347 I HN -0.273 nan 8.210 nan 0.000 0.453 348 P HA 0.042 nan 4.420 nan 0.000 0.264 348 P C -0.960 176.453 177.300 0.189 0.000 1.193 348 P CA 0.239 63.393 63.100 0.090 0.000 0.763 348 P CB 0.207 31.927 31.700 0.033 0.000 0.810 349 F N 4.977 124.942 119.950 0.026 0.000 2.941 349 F HA 0.289 4.816 4.527 -0.000 0.000 0.359 349 F C -0.711 175.204 175.800 0.191 0.000 1.231 349 F CA -0.639 57.426 58.000 0.109 0.000 1.089 349 F CB 0.476 39.554 39.000 0.131 0.000 1.407 349 F HN 0.265 nan 8.300 nan 0.000 0.538 350 Y N 4.188 124.268 120.300 -0.367 0.000 3.037 350 Y HA -0.141 4.409 4.550 -0.000 0.000 0.204 350 Y C 1.423 177.247 175.900 -0.127 0.000 1.275 350 Y CA 1.323 59.233 58.100 -0.317 0.000 1.066 350 Y CB -1.178 36.981 38.460 -0.502 0.000 1.305 350 Y HN 1.119 nan 8.280 nan 0.000 0.499 351 G N -1.766 107.033 108.800 -0.001 0.000 2.199 351 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 351 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 351 G C 0.677 175.606 174.900 0.049 0.000 0.982 351 G CA 0.606 45.718 45.100 0.020 0.000 0.632 351 G HN 0.344 nan 8.290 nan 0.000 0.529 352 K N -0.273 120.183 120.400 0.094 0.000 2.158 352 K HA 0.945 5.265 4.320 -0.000 0.000 0.243 352 K C -0.032 176.639 176.600 0.118 0.000 1.079 352 K CA 0.058 56.402 56.287 0.095 0.000 0.920 352 K CB 1.262 33.823 32.500 0.101 0.000 1.400 352 K HN 0.984 nan 8.250 nan 0.000 0.561 353 A N 0.584 123.459 122.820 0.091 0.000 2.515 353 A HA 0.698 5.017 4.320 -0.000 0.000 0.298 353 A C -1.029 176.569 177.584 0.024 0.000 1.059 353 A CA -0.701 51.381 52.037 0.075 0.000 0.698 353 A CB 0.821 19.840 19.000 0.031 0.000 1.289 353 A HN 0.505 nan 8.150 nan 0.000 0.404 354 I N 2.826 123.394 120.570 -0.003 0.000 2.321 354 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 354 I C -2.182 173.890 176.117 -0.075 0.000 0.998 354 I CA -2.184 59.061 61.300 -0.092 0.000 1.227 354 I CB 2.037 39.933 38.000 -0.173 0.000 1.368 354 I HN 0.385 nan 8.210 nan 0.000 0.466 355 P HA 0.043 nan 4.420 nan 0.000 0.276 355 P C 0.780 178.029 177.300 -0.085 0.000 1.243 355 P CA -0.217 62.841 63.100 -0.070 0.000 0.768 355 P CB 1.344 33.004 31.700 -0.068 0.000 0.856 356 I N 4.216 124.748 120.570 -0.064 0.000 2.315 356 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 356 I C 1.929 178.002 176.117 -0.074 0.000 1.125 356 I CA 1.672 62.932 61.300 -0.066 0.000 1.392 356 I CB -0.671 37.306 38.000 -0.040 0.000 1.065 356 I HN 0.390 nan 8.210 nan 0.000 0.424 357 E N 0.501 120.663 120.200 -0.063 0.000 2.418 357 E HA -0.091 4.258 4.350 -0.000 0.000 0.197 357 E C 1.882 178.434 176.600 -0.079 0.000 1.026 357 E CA 1.035 57.403 56.400 -0.054 0.000 0.862 357 E CB -0.689 28.989 29.700 -0.036 0.000 0.799 357 E HN 0.546 nan 8.360 nan 0.000 0.518 358 A N 1.871 124.615 122.820 -0.125 0.000 2.067 358 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 358 A C 2.153 179.513 177.584 -0.373 0.000 1.156 358 A CA 0.904 52.831 52.037 -0.182 0.000 0.683 358 A CB -0.423 18.466 19.000 -0.186 0.000 0.808 358 A HN 0.432 nan 8.150 nan 0.000 0.455 359 I N -5.910 114.446 120.570 -0.357 0.000 4.338 359 I HA 0.345 4.515 4.170 -0.000 0.000 0.329 359 I C 1.583 177.617 176.117 -0.139 0.000 1.378 359 I CA -0.237 60.753 61.300 -0.516 0.000 1.170 359 I CB 0.082 37.840 38.000 -0.403 0.000 1.206 359 I HN 0.070 nan 8.210 nan 0.000 0.432 360 R N 2.321 122.778 120.500 -0.071 0.000 2.103 360 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 360 R C 1.331 177.659 176.300 0.047 0.000 1.132 360 R CA 1.929 58.024 56.100 -0.007 0.000 0.925 360 R CB -0.284 30.011 30.300 -0.010 0.000 0.842 360 R HN 0.540 nan 8.270 nan 0.000 0.430 361 G N -1.835 107.011 108.800 0.077 0.000 2.511 361 G HA2 0.490 4.449 3.960 -0.000 0.000 0.316 361 G HA3 0.490 4.449 3.960 -0.000 0.000 0.316 361 G C -0.453 174.560 174.900 0.189 0.000 1.210 361 G CA -0.150 45.008 45.100 0.098 0.000 0.969 361 G HN 0.683 nan 8.290 nan 0.000 0.492 362 G N -0.824 108.031 108.800 0.091 0.000 2.725 362 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.220 362 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.220 362 G C -0.365 174.475 174.900 -0.100 0.000 1.357 362 G CA -0.392 44.702 45.100 -0.009 0.000 0.866 362 G HN 0.771 nan 8.290 nan 0.000 0.548 363 R N 0.472 120.767 120.500 -0.341 0.000 2.387 363 R HA 0.630 4.969 4.340 -0.000 0.000 0.314 363 R C -0.647 175.416 176.300 -0.395 0.000 0.958 363 R CA -0.779 55.194 56.100 -0.211 0.000 0.846 363 R CB 1.441 31.660 30.300 -0.134 0.000 1.147 363 R HN 0.652 nan 8.270 nan 0.000 0.447 364 H N 2.327 121.560 119.070 0.272 0.000 2.894 364 H HA 0.287 4.842 4.556 -0.000 0.000 0.367 364 H C -1.326 173.879 175.328 -0.206 0.000 1.144 364 H CA -0.922 55.180 56.048 0.090 0.000 1.180 364 H CB 2.500 32.252 29.762 -0.015 0.000 1.758 364 H HN 0.209 nan 8.280 nan 0.000 0.541 365 L N 3.435 124.350 121.223 -0.514 0.000 2.333 365 L HA 0.498 4.838 4.340 -0.000 0.000 0.280 365 L C -1.088 175.481 176.870 -0.502 0.000 1.004 365 L CA -0.369 53.962 54.840 -0.850 0.000 0.820 365 L CB 0.723 41.823 42.059 -1.597 0.000 1.247 365 L HN 0.499 nan 8.230 nan 0.000 0.416 366 I N 5.306 125.625 120.570 -0.419 0.000 2.406 366 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 366 I C -0.987 175.001 176.117 -0.216 0.000 0.999 366 I CA -0.417 60.733 61.300 -0.251 0.000 1.124 366 I CB 1.326 39.222 38.000 -0.173 0.000 1.289 366 I HN 0.436 nan 8.210 nan 0.000 0.441 367 F N 4.957 124.973 119.950 0.110 0.000 2.411 367 F HA 0.365 4.892 4.527 -0.000 0.000 0.355 367 F C 0.352 176.289 175.800 0.228 0.000 1.117 367 F CA -0.259 57.828 58.000 0.145 0.000 1.139 367 F CB 0.959 40.024 39.000 0.108 0.000 1.120 367 F HN 0.373 nan 8.300 nan 0.000 0.493 368 C N 3.301 122.835 119.300 0.389 0.000 2.470 368 C HA 0.258 4.717 4.460 -0.000 0.000 0.341 368 C C 1.713 176.886 174.990 0.305 0.000 1.190 368 C CA -0.566 58.675 59.018 0.371 0.000 1.904 368 C CB 1.330 29.313 27.740 0.404 0.000 2.354 368 C HN 0.927 nan 8.230 nan 0.000 0.509 369 H N 0.424 119.595 119.070 0.167 0.000 2.502 369 H HA 0.048 4.604 4.556 -0.000 0.000 0.283 369 H C 0.519 175.901 175.328 0.089 0.000 1.015 369 H CA 1.243 57.354 56.048 0.105 0.000 1.298 369 H CB -0.008 29.810 29.762 0.092 0.000 1.411 369 H HN 0.614 nan 8.280 nan 0.000 0.556 370 S N -0.453 114.963 115.700 -0.472 0.000 2.599 370 S HA 0.375 4.845 4.470 -0.000 0.000 0.287 370 S C 0.563 175.014 174.600 -0.248 0.000 1.105 370 S CA -1.002 56.929 58.200 -0.448 0.000 0.899 370 S CB 3.061 65.859 63.200 -0.669 0.000 1.100 370 S HN 0.176 nan 8.310 nan 0.000 0.482 371 K N 1.204 121.397 120.400 -0.346 0.000 2.097 371 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 371 K C 2.086 178.498 176.600 -0.314 0.000 1.049 371 K CA 1.492 57.436 56.287 -0.572 0.000 0.933 371 K CB -0.273 31.570 32.500 -1.095 0.000 0.717 371 K HN 0.769 nan 8.250 nan 0.000 0.442 372 K N 1.199 121.463 120.400 -0.226 0.000 2.032 372 K HA -0.136 4.183 4.320 -0.000 0.000 0.209 372 K C 1.885 178.465 176.600 -0.034 0.000 1.048 372 K CA 1.094 57.315 56.287 -0.109 0.000 0.927 372 K CB -0.151 32.293 32.500 -0.094 0.000 0.712 372 K HN -0.122 nan 8.250 nan 0.000 0.441 373 K N 1.138 121.522 120.400 -0.027 0.000 2.057 373 K HA -0.071 4.248 4.320 -0.000 0.000 0.207 373 K C 2.334 179.003 176.600 0.115 0.000 1.049 373 K CA 1.262 57.582 56.287 0.056 0.000 0.931 373 K CB -0.790 31.791 32.500 0.135 0.000 0.714 373 K HN 0.285 nan 8.250 nan 0.000 0.440 374 C N 1.406 120.781 119.300 0.125 0.000 2.413 374 C HA -0.144 4.316 4.460 -0.000 0.000 0.276 374 C C 2.315 177.413 174.990 0.179 0.000 1.236 374 C CA 0.827 59.960 59.018 0.192 0.000 1.735 374 C CB -0.728 27.188 27.740 0.293 0.000 2.031 374 C HN 0.493 nan 8.230 nan 0.000 0.474 375 D N 0.386 120.886 120.400 0.167 0.000 2.092 375 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 375 D C 2.096 178.451 176.300 0.092 0.000 0.994 375 D CA 1.287 55.371 54.000 0.140 0.000 0.828 375 D CB -0.550 40.318 40.800 0.114 0.000 0.963 375 D HN 0.619 nan 8.370 nan 0.000 0.450 376 E N 0.471 120.714 120.200 0.071 0.000 2.058 376 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 376 E C 2.340 178.981 176.600 0.069 0.000 0.997 376 E CA 0.350 56.783 56.400 0.055 0.000 0.801 376 E CB -0.138 29.582 29.700 0.034 0.000 0.746 376 E HN 0.202 nan 8.360 nan 0.000 0.450 377 L N 0.509 121.791 121.223 0.098 0.000 2.046 377 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 377 L C 2.466 179.388 176.870 0.086 0.000 1.077 377 L CA 1.213 56.122 54.840 0.115 0.000 0.747 377 L CB -0.375 41.796 42.059 0.187 0.000 0.896 377 L HN 0.159 nan 8.230 nan 0.000 0.432 378 A N -0.222 122.651 122.820 0.087 0.000 1.883 378 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 378 A C 2.439 180.053 177.584 0.051 0.000 1.186 378 A CA 1.884 53.961 52.037 0.066 0.000 0.624 378 A CB -0.807 18.235 19.000 0.071 0.000 0.822 378 A HN 0.544 nan 8.150 nan 0.000 0.444 379 A N -0.314 122.537 122.820 0.052 0.000 1.877 379 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 379 A C 2.149 179.753 177.584 0.034 0.000 1.186 379 A CA 2.113 54.174 52.037 0.040 0.000 0.620 379 A CB -0.508 18.515 19.000 0.039 0.000 0.822 379 A HN 0.579 nan 8.150 nan 0.000 0.443 380 K N -0.262 120.161 120.400 0.038 0.000 2.009 380 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 380 K C 1.932 178.547 176.600 0.025 0.000 1.049 380 K CA 1.620 57.926 56.287 0.031 0.000 0.929 380 K CB -0.364 32.158 32.500 0.037 0.000 0.714 380 K HN 0.480 nan 8.250 nan 0.000 0.440 381 L N 0.590 121.829 121.223 0.027 0.000 2.042 381 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 381 L C 2.530 179.409 176.870 0.016 0.000 1.076 381 L CA 1.303 56.153 54.840 0.017 0.000 0.749 381 L CB -0.507 41.561 42.059 0.015 0.000 0.893 381 L HN 0.203 nan 8.230 nan 0.000 0.432 382 S N 0.292 116.004 115.700 0.021 0.000 2.370 382 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 382 S C 1.993 176.603 174.600 0.016 0.000 1.033 382 S CA 1.377 59.589 58.200 0.019 0.000 1.011 382 S CB -0.710 62.503 63.200 0.022 0.000 0.852 382 S HN 0.630 nan 8.310 nan 0.000 0.457 383 G N 0.738 109.548 108.800 0.016 0.000 2.498 383 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.219 383 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.219 383 G C 1.002 175.908 174.900 0.010 0.000 1.119 383 G CA 0.384 45.492 45.100 0.013 0.000 0.766 383 G HN 0.480 nan 8.290 nan 0.000 0.552 384 L N -0.100 121.129 121.223 0.009 0.000 2.628 384 L HA 0.315 4.655 4.340 -0.000 0.000 0.229 384 L C 1.901 178.773 176.870 0.005 0.000 1.137 384 L CA 0.347 55.190 54.840 0.005 0.000 0.909 384 L CB 0.260 42.320 42.059 0.002 0.000 1.137 384 L HN 0.300 nan 8.230 nan 0.000 0.470 385 G N 0.335 109.140 108.800 0.008 0.000 2.176 385 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 385 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 385 G C 0.285 175.191 174.900 0.010 0.000 0.979 385 G CA -0.396 44.709 45.100 0.008 0.000 0.641 385 G HN 0.147 nan 8.290 nan 0.000 0.530 386 I N 1.466 122.042 120.570 0.010 0.000 2.441 386 I HA 0.127 4.296 4.170 -0.000 0.000 0.287 386 I C 0.843 176.972 176.117 0.021 0.000 1.049 386 I CA -0.752 60.557 61.300 0.015 0.000 1.381 386 I CB 1.005 39.010 38.000 0.008 0.000 1.409 386 I HN 0.246 nan 8.210 nan 0.000 0.523 387 N N 5.792 124.508 118.700 0.027 0.000 2.434 387 N HA 0.236 4.975 4.740 -0.000 0.000 0.273 387 N C -0.676 174.854 175.510 0.034 0.000 1.210 387 N CA -0.145 52.921 53.050 0.027 0.000 0.992 387 N CB 0.422 38.924 38.487 0.026 0.000 1.355 387 N HN 0.718 nan 8.380 nan 0.000 0.495 388 A N 3.138 125.976 122.820 0.030 0.000 2.340 388 A HA 0.687 5.007 4.320 -0.000 0.000 0.331 388 A C -0.678 176.924 177.584 0.031 0.000 1.140 388 A CA -0.521 51.536 52.037 0.033 0.000 0.801 388 A CB 1.670 20.689 19.000 0.031 0.000 1.234 388 A HN 0.349 nan 8.150 nan 0.000 0.469 389 V N 0.767 120.700 119.914 0.032 0.000 2.733 389 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 389 V C 0.285 176.395 176.094 0.027 0.000 1.084 389 V CA -0.435 61.880 62.300 0.025 0.000 0.905 389 V CB 1.587 33.423 31.823 0.021 0.000 1.010 389 V HN 1.356 nan 8.190 nan 0.000 0.424 390 A N 3.791 126.617 122.820 0.010 0.000 2.316 390 A HA 0.840 5.160 4.320 -0.000 0.000 0.284 390 A C -1.284 176.244 177.584 -0.093 0.000 1.115 390 A CA -0.271 51.765 52.037 -0.003 0.000 0.812 390 A CB 0.713 19.738 19.000 0.041 0.000 1.064 390 A HN 1.144 nan 8.150 nan 0.000 0.489 391 Y N 1.972 122.123 120.300 -0.248 0.000 2.441 391 Y HA 0.588 5.137 4.550 -0.000 0.000 0.334 391 Y C -1.268 174.487 175.900 -0.242 0.000 1.061 391 Y CA -0.870 57.014 58.100 -0.360 0.000 1.032 391 Y CB 1.435 39.768 38.460 -0.211 0.000 1.266 391 Y HN 0.905 nan 8.280 nan 0.000 0.441 392 Y N 0.967 120.734 120.300 -0.888 0.000 2.895 392 Y HA 0.638 5.188 4.550 -0.000 0.000 0.339 392 Y C -1.216 174.294 175.900 -0.649 0.000 1.363 392 Y CA -2.143 55.575 58.100 -0.637 0.000 1.085 392 Y CB 0.221 38.527 38.460 -0.256 0.000 1.500 392 Y HN 0.419 nan 8.280 nan 0.000 0.442 393 R N 0.939 121.408 120.500 -0.051 0.000 2.504 393 R HA 0.414 4.754 4.340 -0.000 0.000 0.291 393 R C 1.038 177.349 176.300 0.019 0.000 0.974 393 R CA 1.176 57.243 56.100 -0.055 0.000 1.077 393 R CB -0.691 29.595 30.300 -0.023 0.000 0.926 393 R HN 1.402 nan 8.270 nan 0.000 0.407 394 G N 1.048 109.827 108.800 -0.034 0.000 2.194 394 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 394 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 394 G C -0.062 174.829 174.900 -0.015 0.000 0.987 394 G CA -0.299 44.806 45.100 0.008 0.000 0.635 394 G HN 0.393 nan 8.290 nan 0.000 0.520 395 L N 0.363 121.516 121.223 -0.117 0.000 2.358 395 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 395 L C 0.168 177.055 176.870 0.030 0.000 1.032 395 L CA -0.910 53.865 54.840 -0.109 0.000 0.805 395 L CB 1.263 43.142 42.059 -0.301 0.000 1.253 395 L HN 0.163 nan 8.230 nan 0.000 0.452 396 D N -0.755 119.689 120.400 0.074 0.000 2.210 396 D HA 0.191 4.831 4.640 -0.000 0.000 0.249 396 D C 0.869 177.256 176.300 0.145 0.000 1.078 396 D CA -0.455 53.607 54.000 0.104 0.000 0.875 396 D CB 1.835 42.663 40.800 0.047 0.000 1.175 396 D HN 0.224 nan 8.370 nan 0.000 0.440 397 V N 2.762 122.736 119.914 0.099 0.000 2.439 397 V HA -0.305 3.815 4.120 -0.000 0.000 0.253 397 V C 2.204 178.222 176.094 -0.125 0.000 1.074 397 V CA 2.265 64.496 62.300 -0.114 0.000 1.076 397 V CB -0.872 30.886 31.823 -0.108 0.000 0.664 397 V HN 0.752 nan 8.190 nan 0.000 0.461 398 S N -0.669 115.005 115.700 -0.043 0.000 2.442 398 S HA -0.145 4.325 4.470 -0.000 0.000 0.236 398 S C 1.915 176.491 174.600 -0.039 0.000 1.007 398 S CA 1.259 59.435 58.200 -0.039 0.000 0.965 398 S CB -0.435 62.756 63.200 -0.015 0.000 0.773 398 S HN 0.400 nan 8.310 nan 0.000 0.504 399 V N 1.497 121.394 119.914 -0.028 0.000 2.720 399 V HA 0.090 4.210 4.120 -0.000 0.000 0.256 399 V C 0.679 176.750 176.094 -0.038 0.000 1.082 399 V CA 0.968 63.258 62.300 -0.017 0.000 1.101 399 V CB -0.595 31.235 31.823 0.012 0.000 0.693 399 V HN 0.527 nan 8.190 nan 0.000 0.479 400 I N 3.456 123.971 120.570 -0.092 0.000 2.396 400 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 400 I C -1.925 174.163 176.117 -0.048 0.000 1.056 400 I CA -1.551 59.702 61.300 -0.079 0.000 1.365 400 I CB 0.739 38.654 38.000 -0.142 0.000 1.407 400 I HN 0.182 nan 8.210 nan 0.000 0.509 401 P HA 0.091 nan 4.420 nan 0.000 0.280 401 P C 0.667 177.934 177.300 -0.055 0.000 1.244 401 P CA -0.359 62.720 63.100 -0.034 0.000 0.784 401 P CB 1.099 32.786 31.700 -0.023 0.000 0.913 402 T N 0.778 115.292 114.554 -0.067 0.000 3.023 402 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 402 T C 1.058 175.686 174.700 -0.120 0.000 1.093 402 T CA 0.514 62.553 62.100 -0.101 0.000 1.129 402 T CB -0.595 68.220 68.868 -0.089 0.000 0.899 402 T HN 0.537 nan 8.240 nan 0.000 0.491 403 I N -3.410 117.108 120.570 -0.087 0.000 3.174 403 I HA 0.783 4.952 4.170 -0.000 0.000 0.313 403 I C 0.266 176.345 176.117 -0.062 0.000 1.155 403 I CA -1.026 60.223 61.300 -0.084 0.000 0.977 403 I CB 1.683 39.644 38.000 -0.066 0.000 1.248 403 I HN 0.335 nan 8.210 nan 0.000 0.453 404 G N 1.826 110.591 108.800 -0.057 0.000 2.758 404 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 404 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 404 G C -1.086 173.794 174.900 -0.033 0.000 1.389 404 G CA -0.564 44.513 45.100 -0.038 0.000 0.845 404 G HN 0.932 nan 8.290 nan 0.000 0.572 405 D N -0.756 119.636 120.400 -0.014 0.000 2.488 405 D HA 0.429 5.069 4.640 -0.000 0.000 0.238 405 D C 0.592 176.907 176.300 0.026 0.000 1.138 405 D CA 1.318 55.322 54.000 0.008 0.000 0.873 405 D CB 1.594 42.409 40.800 0.024 0.000 1.183 405 D HN 1.194 nan 8.370 nan 0.000 0.458 406 V N 1.958 121.906 119.914 0.057 0.000 3.174 406 V HA 0.272 4.392 4.120 -0.000 0.000 0.280 406 V C -1.647 174.530 176.094 0.138 0.000 1.554 406 V CA -0.679 61.669 62.300 0.080 0.000 1.016 406 V CB 2.303 34.165 31.823 0.065 0.000 1.197 406 V HN 0.213 nan 8.190 nan 0.000 0.453 407 V N 5.726 125.708 119.914 0.113 0.000 2.350 407 V HA 0.499 4.619 4.120 -0.000 0.000 0.285 407 V C -0.176 175.952 176.094 0.057 0.000 1.014 407 V CA -0.598 61.763 62.300 0.103 0.000 0.831 407 V CB 1.593 33.451 31.823 0.058 0.000 1.000 407 V HN 0.662 nan 8.190 nan 0.000 0.433 408 V N 5.872 125.811 119.914 0.041 0.000 2.432 408 V HA 0.346 4.465 4.120 -0.000 0.000 0.275 408 V C 0.072 176.109 176.094 -0.096 0.000 1.043 408 V CA -0.390 61.906 62.300 -0.006 0.000 0.925 408 V CB 1.738 33.576 31.823 0.024 0.000 0.985 408 V HN 0.612 nan 8.190 nan 0.000 0.466 409 V N 4.951 124.848 119.914 -0.028 0.000 2.313 409 V HA 0.796 4.916 4.120 -0.000 0.000 0.278 409 V C 0.338 176.457 176.094 0.040 0.000 1.017 409 V CA -0.241 62.057 62.300 -0.003 0.000 0.823 409 V CB 0.936 32.803 31.823 0.073 0.000 1.010 409 V HN 0.998 nan 8.190 nan 0.000 0.443 410 A N 3.630 126.435 122.820 -0.025 0.000 2.423 410 A HA 0.945 5.265 4.320 -0.000 0.000 0.304 410 A C 0.259 177.960 177.584 0.196 0.000 1.104 410 A CA -0.244 51.838 52.037 0.075 0.000 0.757 410 A CB 1.819 20.830 19.000 0.019 0.000 1.313 410 A HN 0.774 nan 8.150 nan 0.000 0.423 411 T N -1.718 112.985 114.554 0.247 0.000 2.833 411 T HA 0.285 4.635 4.350 -0.000 0.000 0.292 411 T C 0.116 175.035 174.700 0.364 0.000 1.031 411 T CA 0.131 62.391 62.100 0.266 0.000 0.937 411 T CB 0.159 69.114 68.868 0.145 0.000 1.256 411 T HN 0.386 nan 8.240 nan 0.000 0.551 412 D N 0.132 120.682 120.400 0.251 0.000 2.390 412 D HA 0.124 4.763 4.640 -0.000 0.000 0.235 412 D C 1.981 178.393 176.300 0.187 0.000 1.040 412 D CA 0.586 54.703 54.000 0.195 0.000 0.923 412 D CB -0.653 40.189 40.800 0.069 0.000 0.886 412 D HN 0.676 nan 8.370 nan 0.000 0.532 413 A N -0.141 122.788 122.820 0.181 0.000 2.076 413 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 413 A C 1.693 179.417 177.584 0.234 0.000 1.160 413 A CA 0.846 52.978 52.037 0.159 0.000 0.653 413 A CB -0.014 19.018 19.000 0.052 0.000 0.801 413 A HN 0.217 nan 8.150 nan 0.000 0.455 414 L N -1.512 119.893 121.223 0.303 0.000 3.014 414 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 414 L C 1.603 178.736 176.870 0.438 0.000 1.207 414 L CA 0.408 55.401 54.840 0.254 0.000 1.017 414 L CB -0.052 42.081 42.059 0.124 0.000 1.360 414 L HN 0.544 nan 8.230 nan 0.000 0.560 415 M N -1.350 118.470 119.600 0.367 0.000 2.200 415 M HA 0.007 4.486 4.480 -0.000 0.000 0.265 415 M C -0.050 176.366 176.300 0.193 0.000 1.066 415 M CA 1.278 56.689 55.300 0.186 0.000 1.127 415 M CB 0.245 32.821 32.600 -0.040 0.000 1.379 415 M HN 0.129 nan 8.290 nan 0.000 0.420 416 T N -0.107 114.582 114.554 0.224 0.000 2.829 416 T HA 0.553 4.903 4.350 -0.000 0.000 0.280 416 T C 0.498 175.351 174.700 0.255 0.000 0.999 416 T CA 0.141 62.394 62.100 0.255 0.000 0.983 416 T CB 1.604 70.640 68.868 0.281 0.000 0.968 416 T HN 0.568 nan 8.240 nan 0.000 0.446 417 G N 2.256 111.212 108.800 0.259 0.000 2.435 417 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.245 417 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.245 417 G C 0.098 175.109 174.900 0.185 0.000 1.073 417 G CA 0.384 45.639 45.100 0.258 0.000 0.638 417 G HN 0.767 nan 8.290 nan 0.000 0.521 418 Y N 2.805 123.127 120.300 0.037 0.000 2.425 418 Y HA 0.523 5.073 4.550 -0.000 0.000 0.331 418 Y C 0.274 176.157 175.900 -0.029 0.000 1.157 418 Y CA 0.816 58.887 58.100 -0.049 0.000 1.372 418 Y CB 1.104 39.572 38.460 0.012 0.000 1.253 418 Y HN 0.076 nan 8.280 nan 0.000 0.536 419 T N 5.547 119.663 114.554 -0.730 0.000 2.842 419 T HA 0.343 4.693 4.350 -0.000 0.000 0.308 419 T C 0.635 174.710 174.700 -1.042 0.000 1.041 419 T CA -0.110 61.601 62.100 -0.649 0.000 0.964 419 T CB 0.738 69.310 68.868 -0.494 0.000 0.972 419 T HN 0.898 nan 8.240 nan 0.000 0.460 420 G N 1.618 109.885 108.800 -0.889 0.000 3.393 420 G HA2 0.273 4.233 3.960 -0.000 0.000 0.255 420 G HA3 0.273 4.233 3.960 -0.000 0.000 0.255 420 G C 0.242 174.456 174.900 -1.144 0.000 1.097 420 G CA -0.465 44.012 45.100 -1.039 0.000 0.780 420 G HN 0.747 nan 8.290 nan 0.000 0.540 421 D N -0.618 119.344 120.400 -0.730 0.000 2.746 421 D HA -0.190 4.450 4.640 -0.000 0.000 0.241 421 D C -0.553 175.427 176.300 -0.532 0.000 1.140 421 D CA 0.434 54.132 54.000 -0.503 0.000 0.707 421 D CB -1.848 38.720 40.800 -0.387 0.000 1.034 421 D HN 0.290 nan 8.370 nan 0.000 0.423 422 F N 0.435 120.317 119.950 -0.113 0.000 2.411 422 F HA 0.297 4.824 4.527 -0.000 0.000 0.350 422 F C 1.843 177.570 175.800 -0.122 0.000 1.114 422 F CA -0.947 56.981 58.000 -0.120 0.000 1.135 422 F CB 1.040 40.007 39.000 -0.056 0.000 1.120 422 F HN -0.129 nan 8.300 nan 0.000 0.495 423 D N 0.699 121.078 120.400 -0.036 0.000 2.219 423 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 423 D C 0.754 177.099 176.300 0.074 0.000 0.970 423 D CA 1.121 55.091 54.000 -0.051 0.000 0.851 423 D CB 0.186 40.875 40.800 -0.185 0.000 0.943 423 D HN 0.439 nan 8.370 nan 0.000 0.488 424 S N -1.036 114.753 115.700 0.148 0.000 2.570 424 S HA 0.518 4.987 4.470 -0.000 0.000 0.270 424 S C -1.108 173.596 174.600 0.173 0.000 1.149 424 S CA -0.917 57.421 58.200 0.230 0.000 0.837 424 S CB 2.264 65.654 63.200 0.316 0.000 1.124 424 S HN -0.178 nan 8.310 nan 0.000 0.465 425 V N 2.125 122.138 119.914 0.165 0.000 2.555 425 V HA 0.580 4.699 4.120 -0.000 0.000 0.302 425 V C -0.687 175.457 176.094 0.083 0.000 1.038 425 V CA -0.708 61.668 62.300 0.128 0.000 0.887 425 V CB 1.537 33.559 31.823 0.333 0.000 0.991 425 V HN 0.882 nan 8.190 nan 0.000 0.434 426 I N 3.639 124.195 120.570 -0.022 0.000 2.406 426 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 426 I C -0.992 175.155 176.117 0.051 0.000 0.999 426 I CA -0.357 60.866 61.300 -0.128 0.000 1.124 426 I CB 1.873 39.668 38.000 -0.341 0.000 1.289 426 I HN 0.514 nan 8.210 nan 0.000 0.441 427 D N 5.163 125.624 120.400 0.102 0.000 2.391 427 D HA 0.211 4.850 4.640 -0.000 0.000 0.245 427 D C 0.750 177.225 176.300 0.291 0.000 1.069 427 D CA -0.648 53.526 54.000 0.290 0.000 0.831 427 D CB 1.869 42.865 40.800 0.328 0.000 1.204 427 D HN 0.715 nan 8.370 nan 0.000 0.503 428 C N 2.453 121.872 119.300 0.197 0.000 2.472 428 C HA 0.138 4.597 4.460 -0.000 0.000 0.278 428 C C 1.040 175.875 174.990 -0.260 0.000 1.447 428 C CA -0.006 58.805 59.018 -0.344 0.000 1.773 428 C CB -1.665 25.261 27.740 -1.357 0.000 1.793 428 C HN 0.857 nan 8.230 nan 0.000 0.544 429 N N 0.796 119.461 118.700 -0.059 0.000 2.753 429 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 429 N C 0.006 175.474 175.510 -0.071 0.000 1.097 429 N CA 1.177 54.214 53.050 -0.022 0.000 0.786 429 N CB -1.719 36.790 38.487 0.038 0.000 1.137 429 N HN 0.937 nan 8.380 nan 0.000 0.566 430 T N -2.951 111.523 114.554 -0.132 0.000 2.916 430 T HA 0.826 5.176 4.350 -0.000 0.000 0.292 430 T C 0.067 174.759 174.700 -0.013 0.000 1.055 430 T CA -0.314 61.733 62.100 -0.088 0.000 1.009 430 T CB 2.425 71.203 68.868 -0.150 0.000 1.118 430 T HN 0.448 nan 8.240 nan 0.000 0.497 431 C N -0.081 119.240 119.300 0.035 0.000 3.323 431 C HA 0.894 5.354 4.460 -0.000 0.000 0.324 431 C C -0.489 174.570 174.990 0.114 0.000 1.428 431 C CA -0.914 58.156 59.018 0.086 0.000 1.368 431 C CB 0.713 28.476 27.740 0.038 0.000 1.731 431 C HN 0.891 nan 8.230 nan 0.000 0.455 432 V N 1.205 121.187 119.914 0.113 0.000 2.539 432 V HA 0.761 4.881 4.120 -0.000 0.000 0.292 432 V C 0.459 176.592 176.094 0.065 0.000 1.045 432 V CA 0.443 62.802 62.300 0.099 0.000 0.945 432 V CB 1.551 33.420 31.823 0.078 0.000 0.993 432 V HN 1.152 nan 8.190 nan 0.000 0.464 433 T N 3.654 118.247 114.554 0.066 0.000 2.883 433 T HA 0.520 4.870 4.350 -0.000 0.000 0.296 433 T C -1.171 173.572 174.700 0.071 0.000 1.117 433 T CA -0.524 61.613 62.100 0.061 0.000 1.006 433 T CB 1.967 70.870 68.868 0.059 0.000 1.191 433 T HN 0.724 nan 8.240 nan 0.000 0.508 434 Q N 1.381 121.231 119.800 0.083 0.000 2.342 434 Q HA 0.647 4.987 4.340 -0.000 0.000 0.267 434 Q C -0.889 175.169 176.000 0.095 0.000 1.038 434 Q CA -0.906 54.960 55.803 0.105 0.000 0.832 434 Q CB 2.169 31.004 28.738 0.160 0.000 1.323 434 Q HN 0.807 nan 8.270 nan 0.000 0.448 435 T N -2.010 112.591 114.554 0.078 0.000 2.912 435 T HA 0.530 4.880 4.350 -0.000 0.000 0.299 435 T C -0.829 173.890 174.700 0.032 0.000 1.052 435 T CA -0.763 61.367 62.100 0.051 0.000 0.996 435 T CB 1.536 70.419 68.868 0.026 0.000 1.070 435 T HN 0.361 nan 8.240 nan 0.000 0.465 436 V N 1.636 121.547 119.914 -0.004 0.000 2.509 436 V HA 0.613 4.732 4.120 -0.000 0.000 0.284 436 V C -0.992 174.956 176.094 -0.244 0.000 1.047 436 V CA -0.296 61.964 62.300 -0.067 0.000 0.952 436 V CB 1.325 33.132 31.823 -0.027 0.000 0.988 436 V HN 1.088 nan 8.190 nan 0.000 0.469 437 D N 4.653 124.941 120.400 -0.186 0.000 2.502 437 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 437 D C -0.692 175.517 176.300 -0.152 0.000 1.092 437 D CA -0.342 53.537 54.000 -0.203 0.000 0.839 437 D CB 1.080 41.857 40.800 -0.038 0.000 1.264 437 D HN 0.424 nan 8.370 nan 0.000 0.511 438 F N 2.653 122.641 119.950 0.063 0.000 2.652 438 F HA 0.126 4.653 4.527 -0.000 0.000 0.352 438 F C 1.774 177.597 175.800 0.038 0.000 1.259 438 F CA -0.429 57.591 58.000 0.034 0.000 1.249 438 F CB 0.144 39.078 39.000 -0.110 0.000 1.628 438 F HN 0.329 nan 8.300 nan 0.000 0.654 439 S N 0.611 116.428 115.700 0.194 0.000 2.558 439 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 439 S C 0.946 175.603 174.600 0.094 0.000 0.975 439 S CA -0.158 58.111 58.200 0.115 0.000 0.912 439 S CB -0.346 62.904 63.200 0.084 0.000 0.776 439 S HN 0.653 nan 8.310 nan 0.000 0.526 440 L N 1.497 122.787 121.223 0.112 0.000 3.843 440 L HA -0.169 4.171 4.340 -0.000 0.000 0.411 440 L C -0.823 176.071 176.870 0.040 0.000 1.205 440 L CA 0.786 55.668 54.840 0.069 0.000 0.945 440 L CB -2.167 39.921 42.059 0.048 0.000 1.929 440 L HN 0.573 nan 8.230 nan 0.000 0.934 441 D N -1.586 118.834 120.400 0.035 0.000 2.938 441 D HA 0.272 4.912 4.640 -0.000 0.000 0.369 441 D C -1.479 174.811 176.300 -0.017 0.000 1.301 441 D CA -1.212 52.793 54.000 0.009 0.000 0.805 441 D CB 0.478 41.286 40.800 0.014 0.000 1.161 441 D HN 0.164 nan 8.370 nan 0.000 0.474 442 P HA 0.034 nan 4.420 nan 0.000 0.252 442 P C 0.699 178.010 177.300 0.020 0.000 1.218 442 P CA 0.625 63.719 63.100 -0.010 0.000 0.807 442 P CB 1.012 32.696 31.700 -0.026 0.000 1.072 443 T N -2.349 112.219 114.554 0.023 0.000 3.212 443 T HA 0.379 4.729 4.350 -0.000 0.000 0.157 443 T C 0.272 175.122 174.700 0.250 0.000 0.908 443 T CA -0.181 61.984 62.100 0.110 0.000 0.954 443 T CB -0.283 68.631 68.868 0.076 0.000 1.709 443 T HN 0.030 nan 8.240 nan 0.000 0.335 444 F N 0.813 120.908 119.950 0.241 0.000 2.631 444 F HA 0.895 5.422 4.527 -0.000 0.000 0.328 444 F C -1.159 174.743 175.800 0.169 0.000 1.067 444 F CA -1.065 57.080 58.000 0.241 0.000 0.969 444 F CB 1.673 40.899 39.000 0.376 0.000 1.332 444 F HN 0.264 nan 8.300 nan 0.000 0.490 445 T N 3.120 117.879 114.554 0.341 0.000 2.881 445 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 445 T C -0.828 174.005 174.700 0.221 0.000 1.000 445 T CA -0.475 61.736 62.100 0.185 0.000 0.978 445 T CB 1.499 70.425 68.868 0.097 0.000 0.997 445 T HN 0.445 nan 8.240 nan 0.000 0.443 446 I N 3.426 124.078 120.570 0.136 0.000 2.321 446 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 446 I C 0.463 176.607 176.117 0.046 0.000 0.998 446 I CA -0.541 60.785 61.300 0.044 0.000 1.227 446 I CB 0.965 38.864 38.000 -0.168 0.000 1.368 446 I HN 0.654 nan 8.210 nan 0.000 0.466 447 E N 4.477 124.712 120.200 0.058 0.000 2.195 447 E HA 0.505 4.855 4.350 -0.000 0.000 0.271 447 E C -0.708 175.933 176.600 0.069 0.000 0.923 447 E CA -0.707 55.728 56.400 0.057 0.000 0.790 447 E CB 2.291 32.019 29.700 0.047 0.000 1.155 447 E HN 0.387 nan 8.360 nan 0.000 0.402 448 T N 1.989 116.582 114.554 0.066 0.000 2.779 448 T HA 0.480 4.830 4.350 -0.000 0.000 0.280 448 T C -0.301 174.436 174.700 0.062 0.000 0.987 448 T CA -0.598 61.544 62.100 0.069 0.000 0.966 448 T CB 1.201 70.108 68.868 0.066 0.000 0.933 448 T HN 0.615 nan 8.240 nan 0.000 0.442 449 T N -0.864 113.729 114.554 0.065 0.000 2.883 449 T HA 0.717 5.067 4.350 -0.000 0.000 0.301 449 T C -0.252 174.495 174.700 0.078 0.000 1.158 449 T CA -1.008 61.131 62.100 0.065 0.000 1.007 449 T CB 1.689 70.588 68.868 0.051 0.000 1.186 449 T HN 0.540 nan 8.240 nan 0.000 0.499 450 T N -0.384 114.221 114.554 0.085 0.000 2.795 450 T HA 0.718 5.068 4.350 -0.000 0.000 0.282 450 T C 0.103 174.829 174.700 0.043 0.000 0.980 450 T CA -0.467 61.690 62.100 0.095 0.000 1.012 450 T CB 0.578 69.516 68.868 0.117 0.000 0.936 450 T HN 1.498 nan 8.240 nan 0.000 0.457 451 V N -0.017 119.918 119.914 0.036 0.000 3.130 451 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 451 V C -3.133 172.965 176.094 0.006 0.000 1.158 451 V CA -3.252 59.060 62.300 0.020 0.000 1.029 451 V CB 1.293 33.132 31.823 0.028 0.000 1.057 451 V HN 0.652 nan 8.190 nan 0.000 0.436 452 P HA 0.166 nan 4.420 nan 0.000 0.266 452 P C -0.597 176.701 177.300 -0.002 0.000 1.195 452 P CA 0.100 63.198 63.100 -0.003 0.000 0.768 452 P CB 0.210 31.911 31.700 0.003 0.000 0.838 453 Q N 2.119 121.913 119.800 -0.010 0.000 2.417 453 Q HA 0.183 4.523 4.340 -0.000 0.000 0.241 453 Q C -0.198 175.796 176.000 -0.010 0.000 1.008 453 Q CA -0.522 55.273 55.803 -0.014 0.000 0.901 453 Q CB 0.417 29.138 28.738 -0.029 0.000 1.259 453 Q HN 0.411 nan 8.270 nan 0.000 0.489 454 D N 1.031 121.427 120.400 -0.007 0.000 2.506 454 D HA 0.269 4.909 4.640 -0.000 0.000 0.272 454 D C 0.359 176.646 176.300 -0.021 0.000 1.214 454 D CA -0.192 53.806 54.000 -0.002 0.000 1.067 454 D CB 0.415 41.228 40.800 0.022 0.000 1.117 454 D HN 0.606 nan 8.370 nan 0.000 0.578 455 A N -0.458 122.352 122.820 -0.016 0.000 2.119 455 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 455 A C 2.148 179.693 177.584 -0.066 0.000 1.152 455 A CA 0.728 52.741 52.037 -0.040 0.000 0.708 455 A CB -0.671 18.315 19.000 -0.023 0.000 0.805 455 A HN 0.338 nan 8.150 nan 0.000 0.460 456 V N -0.665 119.218 119.914 -0.052 0.000 2.283 456 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 456 V C 2.808 178.828 176.094 -0.124 0.000 1.039 456 V CA 2.249 64.493 62.300 -0.092 0.000 1.016 456 V CB -0.723 31.088 31.823 -0.020 0.000 0.650 456 V HN 0.655 nan 8.190 nan 0.000 0.449 457 S N -0.329 115.320 115.700 -0.084 0.000 2.359 457 S HA -0.298 4.172 4.470 -0.000 0.000 0.224 457 S C 2.242 176.748 174.600 -0.156 0.000 1.035 457 S CA 2.239 60.367 58.200 -0.119 0.000 1.018 457 S CB -0.374 62.774 63.200 -0.087 0.000 0.876 457 S HN 0.509 nan 8.310 nan 0.000 0.448 458 R N 0.085 120.513 120.500 -0.120 0.000 2.083 458 R HA -0.042 4.298 4.340 -0.000 0.000 0.237 458 R C 2.461 178.625 176.300 -0.225 0.000 1.137 458 R CA 1.899 57.921 56.100 -0.130 0.000 0.951 458 R CB -0.582 29.660 30.300 -0.097 0.000 0.851 458 R HN 0.416 nan 8.270 nan 0.000 0.434 459 S N 0.272 115.853 115.700 -0.199 0.000 2.406 459 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 459 S C 1.764 176.242 174.600 -0.202 0.000 1.020 459 S CA 0.727 58.801 58.200 -0.209 0.000 0.965 459 S CB 0.035 63.144 63.200 -0.151 0.000 0.798 459 S HN 0.357 nan 8.310 nan 0.000 0.488 460 Q N 1.065 120.742 119.800 -0.204 0.000 2.083 460 Q HA 0.075 4.415 4.340 -0.000 0.000 0.198 460 Q C 2.303 178.223 176.000 -0.134 0.000 0.969 460 Q CA 0.949 56.651 55.803 -0.169 0.000 0.838 460 Q CB -0.284 28.338 28.738 -0.193 0.000 0.900 460 Q HN 0.486 nan 8.270 nan 0.000 0.436 461 R N 0.488 120.844 120.500 -0.240 0.000 2.070 461 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 461 R C 2.436 178.745 176.300 0.015 0.000 1.137 461 R CA 1.290 57.206 56.100 -0.307 0.000 0.945 461 R CB -0.319 29.616 30.300 -0.609 0.000 0.845 461 R HN 0.147 nan 8.270 nan 0.000 0.430 462 R N 0.418 120.804 120.500 -0.190 0.000 2.103 462 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 462 R C 2.072 178.280 176.300 -0.153 0.000 1.142 462 R CA 1.875 57.753 56.100 -0.370 0.000 0.960 462 R CB -0.586 29.182 30.300 -0.888 0.000 0.858 462 R HN 0.349 nan 8.270 nan 0.000 0.439 463 G N 0.157 108.875 108.800 -0.137 0.000 2.586 463 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 463 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 463 G C 1.131 176.037 174.900 0.011 0.000 1.128 463 G CA -0.071 44.967 45.100 -0.104 0.000 0.774 463 G HN 0.194 nan 8.290 nan 0.000 0.543 464 R N -0.170 120.404 120.500 0.123 0.000 2.235 464 R HA 0.068 4.408 4.340 -0.000 0.000 0.213 464 R C 1.251 177.688 176.300 0.230 0.000 1.059 464 R CA 0.236 56.478 56.100 0.236 0.000 0.997 464 R CB -0.868 29.650 30.300 0.363 0.000 0.884 464 R HN 0.329 nan 8.270 nan 0.000 0.462 465 T N -1.894 112.744 114.554 0.141 0.000 2.948 465 T HA 0.474 4.824 4.350 -0.000 0.000 0.285 465 T C 0.347 175.036 174.700 -0.018 0.000 1.019 465 T CA 0.192 62.358 62.100 0.110 0.000 1.013 465 T CB 1.196 70.149 68.868 0.142 0.000 1.117 465 T HN 0.420 nan 8.240 nan 0.000 0.533 466 G N 2.317 111.108 108.800 -0.014 0.000 2.225 466 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.264 466 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.264 466 G C -0.056 174.816 174.900 -0.048 0.000 1.060 466 G CA 0.016 45.083 45.100 -0.055 0.000 0.833 466 G HN 0.756 nan 8.290 nan 0.000 0.498 467 R N -0.168 120.318 120.500 -0.023 0.000 2.471 467 R HA 0.496 4.835 4.340 -0.000 0.000 0.292 467 R C 1.396 177.693 176.300 -0.005 0.000 1.192 467 R CA 0.210 56.302 56.100 -0.013 0.000 1.257 467 R CB 0.734 31.005 30.300 -0.048 0.000 1.130 467 R HN 1.217 nan 8.270 nan 0.000 0.558 468 G N 2.375 111.196 108.800 0.035 0.000 2.176 468 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.253 468 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.253 468 G C 0.083 174.999 174.900 0.027 0.000 0.979 468 G CA 0.512 45.631 45.100 0.033 0.000 0.641 468 G HN 0.615 nan 8.290 nan 0.000 0.530 469 R N -1.939 118.577 120.500 0.028 0.000 2.741 469 R HA 0.681 5.021 4.340 -0.000 0.000 0.274 469 R C -0.428 175.894 176.300 0.035 0.000 1.029 469 R CA -1.140 54.974 56.100 0.024 0.000 0.880 469 R CB 0.717 31.018 30.300 0.003 0.000 1.264 469 R HN 0.116 nan 8.270 nan 0.000 0.465 470 R N -0.162 120.360 120.500 0.036 0.000 2.594 470 R HA 0.429 4.769 4.340 -0.000 0.000 0.272 470 R C -0.389 175.937 176.300 0.044 0.000 1.074 470 R CA 0.916 57.045 56.100 0.048 0.000 1.105 470 R CB 1.282 31.609 30.300 0.044 0.000 1.008 470 R HN 0.782 nan 8.270 nan 0.000 0.472 471 G N 2.022 110.856 108.800 0.057 0.000 2.682 471 G HA2 0.559 4.519 3.960 -0.000 0.000 0.290 471 G HA3 0.559 4.519 3.960 -0.000 0.000 0.290 471 G C -1.284 173.675 174.900 0.098 0.000 1.425 471 G CA -0.690 44.451 45.100 0.069 0.000 0.807 471 G HN 0.465 nan 8.290 nan 0.000 0.482 472 I N -0.003 120.643 120.570 0.127 0.000 2.569 472 I HA 0.371 4.541 4.170 -0.000 0.000 0.296 472 I C -1.548 174.701 176.117 0.222 0.000 1.028 472 I CA -0.924 60.468 61.300 0.152 0.000 1.082 472 I CB 2.495 40.565 38.000 0.116 0.000 1.264 472 I HN 0.502 nan 8.210 nan 0.000 0.429 473 Y N 6.123 126.483 120.300 0.100 0.000 2.328 473 Y HA 0.539 5.088 4.550 -0.000 0.000 0.333 473 Y C -0.732 175.272 175.900 0.174 0.000 0.958 473 Y CA -0.769 57.412 58.100 0.135 0.000 1.167 473 Y CB 0.852 39.398 38.460 0.143 0.000 1.151 473 Y HN 0.458 nan 8.280 nan 0.000 0.470 474 R N 6.477 126.788 120.500 -0.316 0.000 2.460 474 R HA 0.628 4.968 4.340 -0.000 0.000 0.303 474 R C -1.484 174.515 176.300 -0.502 0.000 0.968 474 R CA -0.758 55.111 56.100 -0.384 0.000 0.889 474 R CB 1.549 31.686 30.300 -0.271 0.000 1.123 474 R HN 0.620 nan 8.270 nan 0.000 0.455 475 F N -1.834 117.873 119.950 -0.405 0.000 2.629 475 F HA 0.503 5.030 4.527 -0.000 0.000 0.316 475 F C 0.233 175.996 175.800 -0.062 0.000 1.081 475 F CA -1.279 56.556 58.000 -0.275 0.000 0.954 475 F CB 0.484 39.328 39.000 -0.260 0.000 1.337 475 F HN 0.092 nan 8.300 nan 0.000 0.474 476 V N -0.071 119.978 119.914 0.226 0.000 2.426 476 V HA 0.103 4.222 4.120 -0.000 0.000 0.242 476 V C 0.711 176.943 176.094 0.230 0.000 1.036 476 V CA 1.734 64.135 62.300 0.168 0.000 1.044 476 V CB 0.064 31.981 31.823 0.156 0.000 0.688 476 V HN 0.996 nan 8.190 nan 0.000 0.462 477 T N -2.747 112.005 114.554 0.330 0.000 2.900 477 T HA 0.448 4.798 4.350 -0.000 0.000 0.295 477 T C -2.162 172.687 174.700 0.248 0.000 1.044 477 T CA -1.676 60.583 62.100 0.263 0.000 0.995 477 T CB 2.326 71.267 68.868 0.123 0.000 1.072 477 T HN 0.017 nan 8.240 nan 0.000 0.473 478 P HA 0.183 nan 4.420 nan 0.000 0.230 478 P C 1.043 178.286 177.300 -0.095 0.000 1.168 478 P CA 0.270 63.323 63.100 -0.079 0.000 0.793 478 P CB -0.210 31.519 31.700 0.049 0.000 0.851 479 G N 0.960 109.746 108.800 -0.023 0.000 2.588 479 G HA2 0.375 4.334 3.960 -0.000 0.000 0.278 479 G HA3 0.375 4.334 3.960 -0.000 0.000 0.278 479 G C -0.544 174.336 174.900 -0.034 0.000 1.307 479 G CA -0.328 44.758 45.100 -0.024 0.000 1.016 479 G HN 0.292 nan 8.290 nan 0.000 0.503 480 E N -1.154 119.031 120.200 -0.024 0.000 2.363 480 E HA 0.361 4.711 4.350 -0.000 0.000 0.281 480 E C -0.945 175.648 176.600 -0.012 0.000 0.953 480 E CA -0.962 55.425 56.400 -0.022 0.000 0.778 480 E CB 1.554 31.233 29.700 -0.036 0.000 1.220 480 E HN 0.395 nan 8.360 nan 0.000 0.431 481 R N 1.712 122.208 120.500 -0.007 0.000 2.679 481 R HA 0.282 4.622 4.340 -0.000 0.000 0.269 481 R C -1.990 174.307 176.300 -0.004 0.000 1.076 481 R CA -1.415 54.682 56.100 -0.006 0.000 1.160 481 R CB 0.250 30.551 30.300 0.002 0.000 1.054 481 R HN 0.427 nan 8.270 nan 0.000 0.507 482 P HA -0.028 nan 4.420 nan 0.000 0.269 482 P C -0.662 176.683 177.300 0.076 0.000 1.215 482 P CA -0.053 63.044 63.100 -0.005 0.000 0.780 482 P CB 0.787 32.387 31.700 -0.167 0.000 0.898 483 S N -0.497 115.292 115.700 0.147 0.000 2.722 483 S HA 0.645 5.115 4.470 -0.000 0.000 0.292 483 S C 0.932 175.654 174.600 0.203 0.000 1.135 483 S CA 0.010 58.292 58.200 0.137 0.000 1.003 483 S CB 0.764 64.010 63.200 0.076 0.000 1.067 483 S HN 0.893 nan 8.310 nan 0.000 0.546 484 G N 0.056 108.947 108.800 0.151 0.000 2.132 484 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.234 484 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.234 484 G C -0.316 174.687 174.900 0.172 0.000 0.989 484 G CA 0.261 45.441 45.100 0.133 0.000 0.676 484 G HN 0.715 nan 8.290 nan 0.000 0.522 485 M N -0.478 119.243 119.600 0.200 0.000 2.464 485 M HA 0.771 5.250 4.480 -0.000 0.000 0.308 485 M C -0.272 176.158 176.300 0.218 0.000 1.127 485 M CA -1.093 54.299 55.300 0.153 0.000 0.913 485 M CB 2.159 34.830 32.600 0.118 0.000 1.689 485 M HN 0.403 nan 8.290 nan 0.000 0.445 486 F N -1.239 118.732 119.950 0.034 0.000 2.629 486 F HA 0.779 5.306 4.527 -0.000 0.000 0.316 486 F C -1.083 174.722 175.800 0.008 0.000 1.081 486 F CA -1.203 56.806 58.000 0.015 0.000 0.954 486 F CB 0.966 39.964 39.000 -0.003 0.000 1.337 486 F HN 0.477 nan 8.300 nan 0.000 0.474 487 D N 0.374 120.887 120.400 0.189 0.000 2.283 487 D HA 0.227 4.867 4.640 -0.000 0.000 0.248 487 D C 1.095 177.471 176.300 0.126 0.000 1.072 487 D CA -0.002 54.047 54.000 0.082 0.000 0.929 487 D CB 2.050 42.912 40.800 0.102 0.000 1.182 487 D HN 0.688 nan 8.370 nan 0.000 0.433 488 S N 0.998 116.768 115.700 0.118 0.000 2.420 488 S HA -0.213 4.257 4.470 -0.000 0.000 0.237 488 S C 1.871 176.659 174.600 0.315 0.000 1.023 488 S CA 1.889 60.283 58.200 0.324 0.000 0.991 488 S CB -0.447 63.112 63.200 0.599 0.000 0.792 488 S HN 0.565 nan 8.310 nan 0.000 0.488 489 S N 0.412 116.229 115.700 0.196 0.000 2.419 489 S HA -0.053 4.417 4.470 -0.000 0.000 0.233 489 S C 1.733 176.371 174.600 0.064 0.000 1.016 489 S CA 1.217 59.477 58.200 0.099 0.000 0.974 489 S CB -0.720 62.573 63.200 0.154 0.000 0.786 489 S HN 0.380 nan 8.310 nan 0.000 0.492 490 V N 2.107 122.088 119.914 0.111 0.000 2.427 490 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 490 V C 2.505 178.582 176.094 -0.029 0.000 1.051 490 V CA 1.519 63.843 62.300 0.040 0.000 1.048 490 V CB -0.894 30.987 31.823 0.096 0.000 0.666 490 V HN 0.466 nan 8.190 nan 0.000 0.456 491 L N -0.497 120.751 121.223 0.042 0.000 2.017 491 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 491 L C 2.734 179.458 176.870 -0.244 0.000 1.073 491 L CA 1.810 56.653 54.840 0.004 0.000 0.745 491 L CB -0.886 41.325 42.059 0.253 0.000 0.894 491 L HN 0.484 nan 8.230 nan 0.000 0.432 492 C N 0.415 119.253 119.300 -0.770 0.000 2.413 492 C HA -0.219 4.241 4.460 -0.000 0.000 0.276 492 C C 2.746 177.629 174.990 -0.177 0.000 1.236 492 C CA 1.525 60.012 59.018 -0.884 0.000 1.735 492 C CB -0.615 26.336 27.740 -1.314 0.000 2.031 492 C HN 0.563 nan 8.230 nan 0.000 0.474 493 E N -0.849 119.303 120.200 -0.079 0.000 2.118 493 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 493 E C 2.221 178.684 176.600 -0.229 0.000 0.992 493 E CA 1.866 58.138 56.400 -0.214 0.000 0.804 493 E CB -0.134 29.351 29.700 -0.359 0.000 0.741 493 E HN 0.801 nan 8.360 nan 0.000 0.458 494 C N -0.112 119.043 119.300 -0.242 0.000 2.429 494 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 494 C C 2.325 177.064 174.990 -0.419 0.000 1.262 494 C CA 0.503 59.339 59.018 -0.303 0.000 1.733 494 C CB -1.132 26.392 27.740 -0.359 0.000 2.010 494 C HN 0.524 nan 8.230 nan 0.000 0.483 495 Y N 0.812 120.814 120.300 -0.496 0.000 2.224 495 Y HA -0.182 4.368 4.550 -0.000 0.000 0.289 495 Y C 2.455 177.807 175.900 -0.914 0.000 1.146 495 Y CA 1.919 59.536 58.100 -0.804 0.000 1.182 495 Y CB -0.577 37.118 38.460 -1.275 0.000 0.983 495 Y HN 0.417 nan 8.280 nan 0.000 0.524 496 D N 0.022 120.054 120.400 -0.612 0.000 2.092 496 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 496 D C 2.248 178.481 176.300 -0.112 0.000 0.994 496 D CA 1.494 55.399 54.000 -0.159 0.000 0.828 496 D CB 0.004 40.911 40.800 0.177 0.000 0.963 496 D HN 0.343 nan 8.370 nan 0.000 0.450 497 A N 0.530 123.302 122.820 -0.080 0.000 1.969 497 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 497 A C 2.351 179.942 177.584 0.011 0.000 1.169 497 A CA 1.964 54.025 52.037 0.040 0.000 0.635 497 A CB -0.948 18.119 19.000 0.111 0.000 0.810 497 A HN 0.390 nan 8.150 nan 0.000 0.445 498 G N -1.062 107.717 108.800 -0.034 0.000 2.422 498 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 498 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 498 G C 1.523 176.384 174.900 -0.065 0.000 1.146 498 G CA 1.340 46.447 45.100 0.010 0.000 0.769 498 G HN 0.520 nan 8.290 nan 0.000 0.547 499 C N 0.422 119.597 119.300 -0.208 0.000 2.475 499 C HA 0.390 4.850 4.460 -0.000 0.000 0.279 499 C C 3.448 178.355 174.990 -0.138 0.000 1.322 499 C CA 0.731 59.571 59.018 -0.296 0.000 1.734 499 C CB -0.552 26.675 27.740 -0.855 0.000 2.005 499 C HN 0.545 nan 8.230 nan 0.000 0.495 500 A N -1.334 121.422 122.820 -0.107 0.000 1.903 500 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 500 A C 1.720 179.091 177.584 -0.355 0.000 1.185 500 A CA 0.949 52.899 52.037 -0.144 0.000 0.628 500 A CB -0.496 18.377 19.000 -0.213 0.000 0.830 500 A HN 0.747 nan 8.150 nan 0.000 0.446 501 W N -3.261 117.834 121.300 -0.341 0.000 2.871 501 W HA 0.251 4.910 4.660 -0.000 0.000 0.267 501 W C 0.841 177.040 176.519 -0.534 0.000 1.180 501 W CA 0.047 57.045 57.345 -0.578 0.000 1.463 501 W CB 0.443 29.260 29.460 -1.073 0.000 0.966 501 W HN 0.331 nan 8.180 nan 0.000 0.605 502 Y N 0.427 120.832 120.300 0.175 0.000 2.612 502 Y HA 0.216 4.766 4.550 -0.000 0.000 0.250 502 Y C 0.326 176.243 175.900 0.027 0.000 1.175 502 Y CA -1.007 57.141 58.100 0.080 0.000 1.205 502 Y CB -0.748 37.729 38.460 0.028 0.000 1.201 502 Y HN -0.029 nan 8.280 nan 0.000 0.532 503 E N 0.466 120.731 120.200 0.109 0.000 2.476 503 E HA -0.223 4.127 4.350 -0.000 0.000 0.251 503 E C -0.803 175.828 176.600 0.052 0.000 1.130 503 E CA 0.269 56.708 56.400 0.066 0.000 0.736 503 E CB -1.800 27.940 29.700 0.067 0.000 1.298 503 E HN 0.426 nan 8.360 nan 0.000 0.400 504 L N 1.248 122.497 121.223 0.044 0.000 2.289 504 L HA 0.284 4.624 4.340 -0.000 0.000 0.285 504 L C 1.294 178.163 176.870 -0.002 0.000 1.049 504 L CA -0.590 54.260 54.840 0.017 0.000 0.804 504 L CB 1.062 43.122 42.059 0.003 0.000 1.195 504 L HN 0.061 nan 8.230 nan 0.000 0.428 505 T N -0.275 114.287 114.554 0.012 0.000 2.900 505 T HA 0.122 4.472 4.350 -0.000 0.000 0.307 505 T C -1.821 172.905 174.700 0.045 0.000 1.065 505 T CA -1.302 60.813 62.100 0.025 0.000 1.105 505 T CB 0.948 69.837 68.868 0.034 0.000 0.979 505 T HN 0.350 nan 8.240 nan 0.000 0.544 506 P HA -0.117 nan 4.420 nan 0.000 0.216 506 P C 1.710 179.139 177.300 0.215 0.000 1.153 506 P CA 1.734 64.962 63.100 0.214 0.000 0.858 506 P CB -0.316 31.502 31.700 0.197 0.000 0.789 507 A N -0.175 122.722 122.820 0.128 0.000 1.933 507 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 507 A C 2.134 179.764 177.584 0.076 0.000 1.175 507 A CA 1.747 53.848 52.037 0.106 0.000 0.628 507 A CB -1.162 17.880 19.000 0.071 0.000 0.814 507 A HN 0.211 nan 8.150 nan 0.000 0.444 508 E N -0.925 119.302 120.200 0.045 0.000 2.077 508 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 508 E C 2.062 178.649 176.600 -0.023 0.000 0.989 508 E CA 1.550 57.956 56.400 0.011 0.000 0.800 508 E CB -0.333 29.367 29.700 0.001 0.000 0.746 508 E HN 0.589 nan 8.360 nan 0.000 0.452 509 T N 0.613 115.130 114.554 -0.061 0.000 2.746 509 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 509 T C 2.128 176.720 174.700 -0.180 0.000 1.039 509 T CA 1.268 63.239 62.100 -0.214 0.000 1.142 509 T CB -0.184 68.393 68.868 -0.486 0.000 0.866 509 T HN 0.037 nan 8.240 nan 0.000 0.444 510 S N 0.737 116.444 115.700 0.011 0.000 2.383 510 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 510 S C 2.283 176.923 174.600 0.067 0.000 1.030 510 S CA 0.799 59.074 58.200 0.126 0.000 1.002 510 S CB -0.494 62.841 63.200 0.225 0.000 0.829 510 S HN 0.276 nan 8.310 nan 0.000 0.467 511 V N 1.878 121.817 119.914 0.042 0.000 2.295 511 V HA -0.209 3.910 4.120 -0.000 0.000 0.246 511 V C 2.407 178.516 176.094 0.025 0.000 1.049 511 V CA 1.778 64.098 62.300 0.034 0.000 1.024 511 V CB -0.589 31.247 31.823 0.021 0.000 0.648 511 V HN 0.399 nan 8.190 nan 0.000 0.447 512 R N -0.283 120.215 120.500 -0.003 0.000 2.066 512 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 512 R C 2.279 178.597 176.300 0.030 0.000 1.131 512 R CA 1.364 57.465 56.100 0.002 0.000 0.955 512 R CB -0.453 29.824 30.300 -0.039 0.000 0.851 512 R HN 0.395 nan 8.270 nan 0.000 0.432 513 L N 0.253 121.471 121.223 -0.009 0.000 2.093 513 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 513 L C 2.648 179.594 176.870 0.126 0.000 1.085 513 L CA 1.017 55.875 54.840 0.030 0.000 0.755 513 L CB -0.340 41.703 42.059 -0.027 0.000 0.904 513 L HN 0.089 nan 8.230 nan 0.000 0.435 514 R N 1.013 121.577 120.500 0.106 0.000 2.096 514 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 514 R C 2.192 178.558 176.300 0.110 0.000 1.127 514 R CA 1.697 57.863 56.100 0.111 0.000 0.968 514 R CB -0.633 29.720 30.300 0.088 0.000 0.861 514 R HN 0.301 nan 8.270 nan 0.000 0.440 515 A N -0.637 122.243 122.820 0.101 0.000 1.933 515 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 515 A C 2.138 179.791 177.584 0.115 0.000 1.175 515 A CA 1.486 53.577 52.037 0.089 0.000 0.628 515 A CB -0.949 18.095 19.000 0.074 0.000 0.814 515 A HN 0.558 nan 8.150 nan 0.000 0.444 516 Y N 0.051 120.369 120.300 0.031 0.000 2.089 516 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 516 Y C 1.936 177.871 175.900 0.059 0.000 1.139 516 Y CA 1.896 60.019 58.100 0.038 0.000 1.123 516 Y CB -0.383 38.095 38.460 0.030 0.000 0.980 516 Y HN 0.198 nan 8.280 nan 0.000 0.493 517 L N 0.787 122.217 121.223 0.345 0.000 2.191 517 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 517 L C 1.688 178.614 176.870 0.094 0.000 1.103 517 L CA 1.501 56.477 54.840 0.227 0.000 0.769 517 L CB -0.958 41.209 42.059 0.180 0.000 0.908 517 L HN 0.282 nan 8.230 nan 0.000 0.438 518 N N -1.464 117.278 118.700 0.070 0.000 2.461 518 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 518 N C 0.104 175.619 175.510 0.008 0.000 1.134 518 N CA 0.309 53.379 53.050 0.034 0.000 0.878 518 N CB 0.000 38.510 38.487 0.038 0.000 0.972 518 N HN 0.234 nan 8.380 nan 0.000 0.456 519 T N 3.630 118.171 114.554 -0.021 0.000 2.733 519 T HA 0.277 4.627 4.350 -0.000 0.000 0.294 519 T C -2.367 172.307 174.700 -0.043 0.000 0.956 519 T CA -1.243 60.828 62.100 -0.049 0.000 0.987 519 T CB 2.022 70.823 68.868 -0.112 0.000 0.920 519 T HN 0.068 nan 8.240 nan 0.000 0.470 520 P HA 0.326 nan 4.420 nan 0.000 0.274 520 P C 0.902 178.221 177.300 0.032 0.000 1.231 520 P CA 0.069 63.168 63.100 -0.002 0.000 0.790 520 P CB 0.690 32.389 31.700 -0.000 0.000 0.951 521 G N 0.365 109.139 108.800 -0.043 0.000 2.176 521 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.253 521 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.253 521 G C -0.120 174.785 174.900 0.008 0.000 0.979 521 G CA -0.118 44.916 45.100 -0.110 0.000 0.641 521 G HN 0.463 nan 8.290 nan 0.000 0.530 522 L N 0.583 121.805 121.223 -0.002 0.000 2.365 522 L HA 0.545 4.885 4.340 -0.000 0.000 0.267 522 L C -1.800 175.116 176.870 0.077 0.000 1.033 522 L CA -2.541 52.290 54.840 -0.014 0.000 0.802 522 L CB 1.236 43.121 42.059 -0.289 0.000 1.267 522 L HN -0.168 nan 8.230 nan 0.000 0.457 523 P HA -0.004 nan 4.420 nan 0.000 0.266 523 P C -1.075 176.466 177.300 0.402 0.000 1.193 523 P CA -0.039 63.250 63.100 0.315 0.000 0.770 523 P CB 0.517 32.473 31.700 0.427 0.000 0.836 524 V N 0.684 120.709 119.914 0.185 0.000 2.881 524 V HA 0.826 4.946 4.120 -0.000 0.000 0.316 524 V C -0.531 175.328 176.094 -0.392 0.000 1.070 524 V CA -0.798 61.494 62.300 -0.014 0.000 0.976 524 V CB 1.798 33.596 31.823 -0.042 0.000 1.038 524 V HN 0.792 nan 8.190 nan 0.000 0.446 525 C N 2.492 121.491 119.300 -0.502 0.000 3.170 525 C HA 0.519 4.979 4.460 -0.000 0.000 0.319 525 C C -0.557 174.199 174.990 -0.389 0.000 1.260 525 C CA -0.349 58.241 59.018 -0.714 0.000 1.374 525 C CB 1.927 28.850 27.740 -1.362 0.000 1.739 525 C HN 1.070 nan 8.230 nan 0.000 0.479 526 Q N 2.402 121.968 119.800 -0.389 0.000 2.349 526 Q HA 0.078 4.418 4.340 -0.000 0.000 0.287 526 Q C -0.238 175.532 176.000 -0.383 0.000 1.044 526 Q CA 0.697 56.254 55.803 -0.410 0.000 0.918 526 Q CB 0.555 28.937 28.738 -0.593 0.000 1.242 526 Q HN 0.722 nan 8.270 nan 0.000 0.405 527 D N 2.047 122.325 120.400 -0.203 0.000 2.498 527 D HA -0.003 4.637 4.640 -0.000 0.000 0.229 527 D C -0.159 176.219 176.300 0.129 0.000 1.188 527 D CA 0.151 54.138 54.000 -0.022 0.000 1.028 527 D CB -0.340 40.472 40.800 0.019 0.000 1.087 527 D HN 0.434 nan 8.370 nan 0.000 0.510 528 H N 2.622 121.787 119.070 0.158 0.000 2.488 528 H HA 0.079 4.635 4.556 -0.000 0.000 0.294 528 H C 1.216 176.709 175.328 0.276 0.000 1.088 528 H CA -0.690 55.457 56.048 0.165 0.000 1.086 528 H CB 0.912 30.788 29.762 0.190 0.000 1.569 528 H HN 0.220 nan 8.280 nan 0.000 0.548 529 L N 0.837 122.280 121.223 0.367 0.000 2.017 529 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 529 L C 2.270 179.270 176.870 0.217 0.000 1.073 529 L CA 1.609 56.671 54.840 0.369 0.000 0.745 529 L CB -0.478 41.765 42.059 0.306 0.000 0.894 529 L HN 0.358 nan 8.230 nan 0.000 0.432 530 E N -1.012 119.276 120.200 0.146 0.000 2.058 530 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 530 E C 2.168 178.766 176.600 -0.003 0.000 0.997 530 E CA 1.270 57.709 56.400 0.066 0.000 0.801 530 E CB -0.629 29.102 29.700 0.050 0.000 0.746 530 E HN 0.405 nan 8.360 nan 0.000 0.450 531 F N 0.133 119.983 119.950 -0.168 0.000 2.043 531 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 531 F C 2.160 177.763 175.800 -0.328 0.000 1.121 531 F CA 1.876 59.666 58.000 -0.350 0.000 1.199 531 F CB -0.761 37.861 39.000 -0.630 0.000 0.968 531 F HN 0.033 nan 8.300 nan 0.000 0.478 532 W N 0.785 121.889 121.300 -0.327 0.000 2.363 532 W HA -0.122 4.538 4.660 -0.000 0.000 0.296 532 W C 2.648 178.743 176.519 -0.707 0.000 1.212 532 W CA 1.212 58.222 57.345 -0.558 0.000 1.260 532 W CB -0.591 28.658 29.460 -0.351 0.000 1.131 532 W HN 0.158 nan 8.180 nan 0.000 0.530 533 E N 0.785 120.682 120.200 -0.504 0.000 2.058 533 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 533 E C 2.334 178.866 176.600 -0.113 0.000 0.997 533 E CA 2.231 58.438 56.400 -0.322 0.000 0.801 533 E CB -0.299 29.373 29.700 -0.047 0.000 0.746 533 E HN 0.217 nan 8.360 nan 0.000 0.450 534 S N -0.047 115.562 115.700 -0.152 0.000 2.370 534 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 534 S C 2.118 176.688 174.600 -0.051 0.000 1.033 534 S CA 1.473 59.618 58.200 -0.092 0.000 1.011 534 S CB -0.809 62.295 63.200 -0.160 0.000 0.852 534 S HN 0.170 nan 8.310 nan 0.000 0.457 535 V N 1.287 121.046 119.914 -0.259 0.000 2.219 535 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 535 V C 2.342 178.442 176.094 0.010 0.000 1.053 535 V CA 2.357 64.562 62.300 -0.159 0.000 1.009 535 V CB -1.166 30.460 31.823 -0.328 0.000 0.636 535 V HN 0.520 nan 8.190 nan 0.000 0.445 536 F N 0.387 120.321 119.950 -0.026 0.000 2.269 536 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 536 F C 2.565 178.356 175.800 -0.014 0.000 1.082 536 F CA 1.711 59.705 58.000 -0.010 0.000 1.360 536 F CB -0.958 38.018 39.000 -0.039 0.000 1.041 536 F HN 0.103 nan 8.300 nan 0.000 0.512 537 T N -0.993 113.658 114.554 0.162 0.000 2.929 537 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 537 T C 2.146 176.844 174.700 -0.004 0.000 1.085 537 T CA 1.333 63.489 62.100 0.092 0.000 1.125 537 T CB -0.587 68.340 68.868 0.099 0.000 0.874 537 T HN 0.453 nan 8.240 nan 0.000 0.494 538 G N 0.340 109.110 108.800 -0.050 0.000 2.986 538 G HA2 0.238 4.198 3.960 -0.000 0.000 0.213 538 G HA3 0.238 4.198 3.960 -0.000 0.000 0.213 538 G C 0.541 175.260 174.900 -0.302 0.000 1.156 538 G CA -0.293 44.526 45.100 -0.469 0.000 0.763 538 G HN 0.435 nan 8.290 nan 0.000 0.547 539 L N 3.392 124.489 121.223 -0.211 0.000 2.536 539 L HA 0.247 4.587 4.340 -0.000 0.000 0.242 539 L C 0.484 177.310 176.870 -0.073 0.000 1.280 539 L CA -0.424 54.124 54.840 -0.488 0.000 1.221 539 L CB -0.423 41.186 42.059 -0.749 0.000 1.449 539 L HN 0.076 nan 8.230 nan 0.000 0.405 540 T N -3.460 111.144 114.554 0.082 0.000 2.928 540 T HA 0.330 4.680 4.350 -0.000 0.000 0.284 540 T C 0.438 175.256 174.700 0.197 0.000 1.008 540 T CA -0.513 61.605 62.100 0.030 0.000 1.057 540 T CB 1.209 69.930 68.868 -0.245 0.000 1.018 540 T HN 0.506 nan 8.240 nan 0.000 0.493 541 H N -0.953 118.272 119.070 0.258 0.000 2.933 541 H HA -0.123 4.432 4.556 -0.000 0.000 0.301 541 H C 0.197 175.599 175.328 0.123 0.000 1.280 541 H CA 0.198 56.343 56.048 0.160 0.000 1.155 541 H CB -1.837 27.986 29.762 0.101 0.000 1.379 541 H HN 0.840 nan 8.280 nan 0.000 0.419 542 I N 0.874 121.607 120.570 0.270 0.000 3.045 542 I HA -0.063 4.107 4.170 -0.000 0.000 0.288 542 I C 1.084 177.236 176.117 0.058 0.000 1.238 542 I CA 0.481 61.840 61.300 0.098 0.000 1.396 542 I CB 0.444 38.486 38.000 0.070 0.000 1.355 542 I HN 0.216 nan 8.210 nan 0.000 0.601 543 D N 5.561 125.978 120.400 0.028 0.000 2.336 543 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 543 D C 0.691 176.987 176.300 -0.006 0.000 1.213 543 D CA 0.135 54.137 54.000 0.003 0.000 0.870 543 D CB 1.592 42.389 40.800 -0.005 0.000 1.076 543 D HN 0.700 nan 8.370 nan 0.000 0.483 544 A N 4.687 127.504 122.820 -0.005 0.000 1.978 544 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 544 A C 2.008 179.593 177.584 0.001 0.000 1.170 544 A CA 1.290 53.333 52.037 0.008 0.000 0.636 544 A CB -0.618 18.393 19.000 0.018 0.000 0.810 544 A HN 0.858 nan 8.150 nan 0.000 0.448 545 H N -1.825 117.145 119.070 -0.167 0.000 2.326 545 H HA -0.130 4.426 4.556 -0.000 0.000 0.301 545 H C 1.783 177.052 175.328 -0.098 0.000 1.081 545 H CA 1.833 57.766 56.048 -0.191 0.000 1.334 545 H CB -0.139 29.424 29.762 -0.332 0.000 1.385 545 H HN 0.455 nan 8.280 nan 0.000 0.504 546 F N 0.687 120.563 119.950 -0.124 0.000 2.134 546 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 546 F C 2.606 178.317 175.800 -0.148 0.000 1.097 546 F CA 0.613 58.512 58.000 -0.168 0.000 1.264 546 F CB -1.004 37.954 39.000 -0.071 0.000 1.001 546 F HN 0.179 nan 8.300 nan 0.000 0.479 547 L N -0.286 120.973 121.223 0.059 0.000 2.046 547 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 547 L C 2.348 179.156 176.870 -0.105 0.000 1.077 547 L CA 1.778 56.597 54.840 -0.035 0.000 0.747 547 L CB -1.132 40.901 42.059 -0.044 0.000 0.896 547 L HN -0.013 nan 8.230 nan 0.000 0.432 548 S N -0.736 114.905 115.700 -0.098 0.000 2.382 548 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 548 S C 1.842 176.379 174.600 -0.105 0.000 1.027 548 S CA 1.426 59.556 58.200 -0.116 0.000 0.991 548 S CB -0.296 62.868 63.200 -0.059 0.000 0.823 548 S HN 0.593 nan 8.310 nan 0.000 0.469 549 Q N 0.429 120.166 119.800 -0.104 0.000 2.079 549 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 549 Q C 2.638 178.614 176.000 -0.040 0.000 0.974 549 Q CA 1.740 57.499 55.803 -0.073 0.000 0.840 549 Q CB -0.565 28.117 28.738 -0.094 0.000 0.898 549 Q HN 0.786 nan 8.270 nan 0.000 0.430 550 T N -0.718 113.810 114.554 -0.043 0.000 2.821 550 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 550 T C 1.656 176.333 174.700 -0.039 0.000 1.046 550 T CA 0.966 63.045 62.100 -0.036 0.000 1.139 550 T CB -0.097 68.753 68.868 -0.030 0.000 0.871 550 T HN 0.127 nan 8.240 nan 0.000 0.454 551 K N 0.997 121.313 120.400 -0.139 0.000 2.009 551 K HA -0.199 4.120 4.320 -0.000 0.000 0.210 551 K C 2.631 179.271 176.600 0.067 0.000 1.049 551 K CA 1.850 58.000 56.287 -0.228 0.000 0.929 551 K CB -0.305 31.744 32.500 -0.751 0.000 0.714 551 K HN 0.394 nan 8.250 nan 0.000 0.440 552 Q N 1.214 121.028 119.800 0.024 0.000 2.096 552 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 552 Q C 1.747 177.803 176.000 0.093 0.000 0.982 552 Q CA 2.190 58.045 55.803 0.087 0.000 0.850 552 Q CB -0.375 28.388 28.738 0.042 0.000 0.901 552 Q HN 0.297 nan 8.270 nan 0.000 0.422 553 A N -0.569 122.286 122.820 0.059 0.000 2.168 553 A HA 0.289 4.609 4.320 -0.000 0.000 0.215 553 A C 1.713 179.333 177.584 0.061 0.000 1.152 553 A CA 0.947 53.012 52.037 0.047 0.000 0.716 553 A CB -0.986 18.025 19.000 0.019 0.000 0.794 553 A HN 0.942 nan 8.150 nan 0.000 0.465 554 G N -0.427 108.437 108.800 0.107 0.000 2.179 554 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 554 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 554 G C -0.194 174.747 174.900 0.069 0.000 1.010 554 G CA 0.461 45.637 45.100 0.126 0.000 0.736 554 G HN 0.520 nan 8.290 nan 0.000 0.513 555 D N 0.073 120.498 120.400 0.042 0.000 2.388 555 D HA 0.275 4.915 4.640 -0.000 0.000 0.254 555 D C 0.876 177.187 176.300 0.019 0.000 1.111 555 D CA -0.682 53.323 54.000 0.009 0.000 0.993 555 D CB 0.351 41.135 40.800 -0.027 0.000 1.118 555 D HN 0.075 nan 8.370 nan 0.000 0.502 556 N N 0.073 118.777 118.700 0.007 0.000 2.374 556 N HA -0.057 4.683 4.740 -0.000 0.000 0.241 556 N C 0.030 175.604 175.510 0.105 0.000 1.262 556 N CA 0.327 53.365 53.050 -0.019 0.000 0.880 556 N CB -0.036 38.490 38.487 0.066 0.000 1.105 556 N HN 0.346 nan 8.380 nan 0.000 0.438 557 F N -1.324 118.656 119.950 0.049 0.000 2.829 557 F HA -0.179 4.348 4.527 -0.000 0.000 0.237 557 F C -1.116 174.734 175.800 0.084 0.000 1.017 557 F CA -0.361 57.688 58.000 0.083 0.000 0.882 557 F CB -1.299 37.739 39.000 0.063 0.000 0.795 557 F HN 0.528 nan 8.300 nan 0.000 0.848 558 P HA -0.246 nan 4.420 nan 0.000 0.218 558 P C 1.600 178.993 177.300 0.156 0.000 1.149 558 P CA 1.702 64.864 63.100 0.104 0.000 0.817 558 P CB 0.018 31.730 31.700 0.020 0.000 0.785 559 Y N 0.599 120.984 120.300 0.142 0.000 2.184 559 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 559 Y C 2.522 178.603 175.900 0.302 0.000 1.129 559 Y CA 1.314 59.542 58.100 0.212 0.000 1.144 559 Y CB -0.849 37.764 38.460 0.255 0.000 0.995 559 Y HN -0.274 nan 8.280 nan 0.000 0.513 560 L N -1.297 120.204 121.223 0.463 0.000 2.083 560 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 560 L C 2.242 179.331 176.870 0.366 0.000 1.083 560 L CA 0.974 56.016 54.840 0.337 0.000 0.752 560 L CB -0.682 41.416 42.059 0.065 0.000 0.899 560 L HN 0.134 nan 8.230 nan 0.000 0.433 561 V N 0.120 120.177 119.914 0.239 0.000 2.270 561 V HA -0.269 3.850 4.120 -0.000 0.000 0.245 561 V C 2.716 178.931 176.094 0.202 0.000 1.043 561 V CA 1.873 64.258 62.300 0.141 0.000 1.014 561 V CB -0.809 30.934 31.823 -0.134 0.000 0.645 561 V HN 0.479 nan 8.190 nan 0.000 0.447 562 A N -1.636 121.243 122.820 0.099 0.000 2.015 562 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 562 A C 2.111 179.719 177.584 0.040 0.000 1.163 562 A CA 1.694 53.762 52.037 0.052 0.000 0.646 562 A CB -0.673 18.337 19.000 0.017 0.000 0.806 562 A HN 0.632 nan 8.150 nan 0.000 0.448 563 Y N -0.155 120.122 120.300 -0.038 0.000 2.263 563 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 563 Y C 2.619 178.522 175.900 0.004 0.000 1.130 563 Y CA 2.067 60.148 58.100 -0.032 0.000 1.179 563 Y CB -0.123 38.327 38.460 -0.017 0.000 0.998 563 Y HN 0.430 nan 8.280 nan 0.000 0.532 564 Q N 0.444 120.367 119.800 0.205 0.000 2.084 564 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 564 Q C 2.247 178.128 176.000 -0.197 0.000 0.978 564 Q CA 1.978 57.768 55.803 -0.021 0.000 0.844 564 Q CB -0.599 28.207 28.738 0.115 0.000 0.898 564 Q HN 0.460 nan 8.270 nan 0.000 0.426 565 A N -0.626 122.129 122.820 -0.109 0.000 1.902 565 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 565 A C 2.308 179.644 177.584 -0.413 0.000 1.181 565 A CA 1.986 53.806 52.037 -0.362 0.000 0.623 565 A CB -1.119 17.585 19.000 -0.493 0.000 0.818 565 A HN 0.508 nan 8.150 nan 0.000 0.443 566 T N -0.406 114.016 114.554 -0.220 0.000 2.684 566 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 566 T C 1.868 176.475 174.700 -0.155 0.000 1.036 566 T CA 1.675 63.750 62.100 -0.042 0.000 1.148 566 T CB -0.455 68.297 68.868 -0.193 0.000 0.863 566 T HN 0.145 nan 8.240 nan 0.000 0.436 567 V N 0.805 120.531 119.914 -0.312 0.000 2.407 567 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 567 V C 2.819 178.781 176.094 -0.221 0.000 1.055 567 V CA 1.309 63.429 62.300 -0.300 0.000 1.049 567 V CB -0.708 30.813 31.823 -0.504 0.000 0.662 567 V HN 0.633 nan 8.190 nan 0.000 0.455 568 C N -0.010 119.131 119.300 -0.264 0.000 2.413 568 C HA -0.135 4.324 4.460 -0.000 0.000 0.277 568 C C 3.085 177.999 174.990 -0.127 0.000 1.228 568 C CA 0.909 59.784 59.018 -0.239 0.000 1.731 568 C CB -1.353 26.175 27.740 -0.352 0.000 2.042 568 C HN 0.640 nan 8.230 nan 0.000 0.468 569 A N 0.704 123.478 122.820 -0.077 0.000 1.865 569 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 569 A C 2.172 179.786 177.584 0.050 0.000 1.191 569 A CA 1.712 53.782 52.037 0.056 0.000 0.623 569 A CB -0.640 18.531 19.000 0.286 0.000 0.826 569 A HN 0.686 nan 8.150 nan 0.000 0.444 570 R N -0.713 119.810 120.500 0.039 0.000 2.241 570 R HA 0.004 4.344 4.340 -0.000 0.000 0.224 570 R C 1.647 177.964 176.300 0.028 0.000 1.101 570 R CA 0.851 56.971 56.100 0.033 0.000 0.995 570 R CB -0.281 30.036 30.300 0.029 0.000 0.870 570 R HN 0.501 nan 8.270 nan 0.000 0.463 571 A N 0.251 123.080 122.820 0.014 0.000 2.390 571 A HA 0.070 4.390 4.320 -0.000 0.000 0.232 571 A C 0.146 177.735 177.584 0.009 0.000 1.233 571 A CA -0.329 51.718 52.037 0.017 0.000 0.907 571 A CB 0.482 19.494 19.000 0.022 0.000 0.967 571 A HN 0.147 nan 8.150 nan 0.000 0.512 572 Q N -1.344 118.462 119.800 0.010 0.000 2.434 572 Q HA -0.203 4.137 4.340 -0.000 0.000 0.299 572 Q C 0.090 176.086 176.000 -0.007 0.000 1.286 572 Q CA 1.028 56.841 55.803 0.017 0.000 0.872 572 Q CB -2.304 26.466 28.738 0.053 0.000 1.193 572 Q HN 0.974 nan 8.270 nan 0.000 0.466 573 A N -0.583 122.204 122.820 -0.055 0.000 2.356 573 A HA 0.853 5.173 4.320 -0.000 0.000 0.323 573 A C -2.536 174.945 177.584 -0.170 0.000 1.119 573 A CA -1.836 50.145 52.037 -0.094 0.000 0.790 573 A CB 1.297 20.233 19.000 -0.107 0.000 1.273 573 A HN 0.014 nan 8.150 nan 0.000 0.452 574 P HA 0.298 nan 4.420 nan 0.000 0.274 574 P C -2.515 174.440 177.300 -0.576 0.000 1.237 574 P CA -1.114 61.793 63.100 -0.322 0.000 0.793 574 P CB 0.053 31.626 31.700 -0.212 0.000 0.977 575 P HA 0.134 nan 4.420 nan 0.000 0.273 575 P C -2.063 174.600 177.300 -1.061 0.000 1.250 575 P CA -1.477 60.925 63.100 -1.163 0.000 0.793 575 P CB -0.526 30.341 31.700 -1.388 0.000 1.011 576 P HA -0.110 nan 4.420 nan 0.000 0.216 576 P C 0.594 177.623 177.300 -0.451 0.000 1.150 576 P CA 1.779 64.489 63.100 -0.649 0.000 0.837 576 P CB -0.002 31.393 31.700 -0.508 0.000 0.786 577 S N -3.721 111.675 115.700 -0.507 0.000 2.656 577 S HA 0.337 4.806 4.470 -0.000 0.000 0.273 577 S C -1.196 173.252 174.600 -0.253 0.000 1.168 577 S CA -0.876 57.189 58.200 -0.225 0.000 0.817 577 S CB 0.067 63.298 63.200 0.051 0.000 1.146 577 S HN 0.002 nan 8.310 nan 0.000 0.475 578 W N 1.259 122.611 121.300 0.087 0.000 3.269 578 W HA 0.365 5.025 4.660 -0.000 0.000 0.413 578 W C -0.153 176.450 176.519 0.139 0.000 1.057 578 W CA -0.491 56.919 57.345 0.109 0.000 1.953 578 W CB 0.082 29.567 29.460 0.043 0.000 1.053 578 W HN 0.589 nan 8.180 nan 0.000 0.753 579 D N 0.022 120.620 120.400 0.331 0.000 2.354 579 D HA -0.121 4.519 4.640 -0.000 0.000 0.238 579 D C 1.477 177.881 176.300 0.173 0.000 1.250 579 D CA 0.382 54.510 54.000 0.214 0.000 0.911 579 D CB 0.678 41.569 40.800 0.150 0.000 1.163 579 D HN 0.100 nan 8.370 nan 0.000 0.456 580 Q N 0.578 120.424 119.800 0.077 0.000 2.234 580 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 580 Q C 1.996 177.962 176.000 -0.058 0.000 0.980 580 Q CA 1.299 57.124 55.803 0.037 0.000 0.869 580 Q CB -0.095 28.649 28.738 0.010 0.000 0.912 580 Q HN 0.560 nan 8.270 nan 0.000 0.436 581 M N -0.884 118.595 119.600 -0.203 0.000 2.143 581 M HA -0.203 4.276 4.480 -0.000 0.000 0.258 581 M C 0.119 176.041 176.300 -0.630 0.000 1.071 581 M CA 1.760 56.744 55.300 -0.527 0.000 1.088 581 M CB -0.035 32.060 32.600 -0.842 0.000 1.360 581 M HN 0.324 nan 8.290 nan 0.000 0.404 582 W N 0.768 122.058 121.300 -0.018 0.000 3.067 582 W HA 0.215 4.875 4.660 -0.000 0.000 0.417 582 W C 1.577 178.109 176.519 0.022 0.000 1.029 582 W CA -0.553 56.747 57.345 -0.076 0.000 1.992 582 W CB -0.059 29.266 29.460 -0.225 0.000 1.122 582 W HN 0.245 nan 8.180 nan 0.000 0.681 583 K N -0.052 120.456 120.400 0.181 0.000 2.211 583 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 583 K C 1.788 178.490 176.600 0.169 0.000 1.050 583 K CA 1.564 57.969 56.287 0.197 0.000 0.945 583 K CB -1.029 31.542 32.500 0.117 0.000 0.732 583 K HN 0.338 nan 8.250 nan 0.000 0.451 584 C N -0.109 119.256 119.300 0.109 0.000 2.413 584 C HA 0.102 4.561 4.460 -0.000 0.000 0.292 584 C C 1.852 176.930 174.990 0.146 0.000 1.435 584 C CA -0.211 58.875 59.018 0.112 0.000 1.791 584 C CB -1.019 26.767 27.740 0.076 0.000 1.784 584 C HN 0.396 nan 8.230 nan 0.000 0.548 585 L N 0.175 121.483 121.223 0.142 0.000 2.590 585 L HA 0.395 4.735 4.340 -0.000 0.000 0.227 585 L C 2.283 179.379 176.870 0.377 0.000 1.099 585 L CA 0.491 55.438 54.840 0.178 0.000 0.872 585 L CB -0.741 41.337 42.059 0.033 0.000 1.088 585 L HN 0.299 nan 8.230 nan 0.000 0.479 586 I N 0.449 121.240 120.570 0.368 0.000 2.236 586 I HA -0.387 3.783 4.170 -0.000 0.000 0.249 586 I C 2.491 178.641 176.117 0.055 0.000 1.102 586 I CA 1.562 62.963 61.300 0.168 0.000 1.365 586 I CB -0.154 37.898 38.000 0.087 0.000 1.051 586 I HN 0.387 nan 8.210 nan 0.000 0.420 587 R N 1.287 121.859 120.500 0.119 0.000 2.237 587 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 587 R C 1.600 177.952 176.300 0.086 0.000 1.080 587 R CA 1.147 57.300 56.100 0.087 0.000 0.995 587 R CB -0.378 29.994 30.300 0.119 0.000 0.875 587 R HN 0.368 nan 8.270 nan 0.000 0.462 588 L N 0.587 121.891 121.223 0.135 0.000 2.640 588 L HA 0.208 4.547 4.340 -0.000 0.000 0.230 588 L C 2.162 179.083 176.870 0.086 0.000 1.123 588 L CA -0.046 54.866 54.840 0.120 0.000 0.900 588 L CB -0.022 42.137 42.059 0.166 0.000 1.146 588 L HN 0.172 nan 8.230 nan 0.000 0.484 589 K N 1.632 122.054 120.400 0.037 0.000 2.127 589 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 589 K C -0.681 175.857 176.600 -0.103 0.000 1.047 589 K CA 1.604 57.843 56.287 -0.080 0.000 0.927 589 K CB -0.431 31.743 32.500 -0.544 0.000 0.716 589 K HN 0.215 nan 8.250 nan 0.000 0.450 590 P HA -0.033 nan 4.420 nan 0.000 0.236 590 P C 0.611 177.891 177.300 -0.033 0.000 1.177 590 P CA 1.094 64.165 63.100 -0.048 0.000 0.773 590 P CB 0.258 31.952 31.700 -0.010 0.000 0.878 591 T N -3.841 110.683 114.554 -0.050 0.000 3.069 591 T HA 0.209 4.559 4.350 -0.000 0.000 0.252 591 T C 0.379 174.984 174.700 -0.158 0.000 1.053 591 T CA -0.077 62.024 62.100 0.002 0.000 0.964 591 T CB -0.605 68.295 68.868 0.053 0.000 1.005 591 T HN -0.084 nan 8.240 nan 0.000 0.532 592 L N 2.253 123.262 121.223 -0.357 0.000 2.272 592 L HA 0.631 4.971 4.340 -0.000 0.000 0.289 592 L C -0.601 175.935 176.870 -0.557 0.000 1.032 592 L CA -0.974 53.700 54.840 -0.276 0.000 0.810 592 L CB 0.875 42.906 42.059 -0.046 0.000 1.205 592 L HN 0.306 nan 8.230 nan 0.000 0.422 593 H N 1.060 120.151 119.070 0.035 0.000 2.980 593 H HA 0.773 5.329 4.556 -0.000 0.000 0.367 593 H C 0.311 175.638 175.328 -0.003 0.000 1.206 593 H CA 0.012 56.075 56.048 0.024 0.000 1.126 593 H CB 2.031 31.806 29.762 0.021 0.000 1.838 593 H HN 0.768 nan 8.280 nan 0.000 0.552 594 G N 0.536 109.414 108.800 0.131 0.000 2.615 594 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 594 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 594 G C -2.719 172.179 174.900 -0.003 0.000 1.339 594 G CA -0.718 44.413 45.100 0.052 0.000 0.884 594 G HN 0.647 nan 8.290 nan 0.000 0.559 595 P HA 0.421 nan 4.420 nan 0.000 0.279 595 P C -0.129 177.108 177.300 -0.105 0.000 1.252 595 P CA -0.033 63.029 63.100 -0.064 0.000 0.811 595 P CB 0.929 32.599 31.700 -0.051 0.000 1.035 596 T N 3.737 118.196 114.554 -0.159 0.000 2.814 596 T HA 0.233 4.583 4.350 -0.000 0.000 0.297 596 T C -2.039 172.542 174.700 -0.198 0.000 0.956 596 T CA -0.971 60.992 62.100 -0.230 0.000 1.123 596 T CB -0.233 68.443 68.868 -0.320 0.000 0.902 596 T HN 0.336 nan 8.240 nan 0.000 0.528 597 P HA 0.185 nan 4.420 nan 0.000 0.268 597 P C -0.489 176.644 177.300 -0.279 0.000 1.541 597 P CA -0.602 62.391 63.100 -0.178 0.000 1.093 597 P CB 0.072 31.688 31.700 -0.139 0.000 1.551 598 L N 4.295 125.373 121.223 -0.242 0.000 2.360 598 L HA 0.114 4.453 4.340 -0.000 0.000 0.276 598 L C 1.108 177.772 176.870 -0.344 0.000 1.121 598 L CA 0.212 54.873 54.840 -0.299 0.000 0.845 598 L CB 0.246 42.175 42.059 -0.217 0.000 1.143 598 L HN 0.254 nan 8.230 nan 0.000 0.452 599 L N 5.614 126.492 121.223 -0.575 0.000 2.354 599 L HA 0.167 4.506 4.340 -0.000 0.000 0.212 599 L C -0.594 175.848 176.870 -0.713 0.000 1.091 599 L CA -0.020 54.368 54.840 -0.753 0.000 0.828 599 L CB -0.225 41.060 42.059 -1.290 0.000 0.973 599 L HN 0.707 nan 8.230 nan 0.000 0.461 600 Y N -2.922 117.214 120.300 -0.274 0.000 2.851 600 Y HA 0.448 4.998 4.550 -0.000 0.000 0.359 600 Y C -0.963 174.766 175.900 -0.284 0.000 1.231 600 Y CA -2.222 55.585 58.100 -0.488 0.000 1.106 600 Y CB 0.398 38.239 38.460 -1.032 0.000 1.409 600 Y HN -0.222 nan 8.280 nan 0.000 0.454 601 R N 1.143 121.637 120.500 -0.010 0.000 2.360 601 R HA 0.652 4.992 4.340 -0.000 0.000 0.318 601 R C -0.446 175.904 176.300 0.083 0.000 0.950 601 R CA -0.549 55.585 56.100 0.057 0.000 0.837 601 R CB 1.271 31.585 30.300 0.024 0.000 1.165 601 R HN 0.805 nan 8.270 nan 0.000 0.458 602 L N 1.006 122.317 121.223 0.147 0.000 2.731 602 L HA 0.411 4.751 4.340 -0.000 0.000 0.240 602 L C 0.869 177.787 176.870 0.081 0.000 1.120 602 L CA -0.134 54.751 54.840 0.075 0.000 0.913 602 L CB 0.949 43.050 42.059 0.071 0.000 1.213 602 L HN 0.774 nan 8.230 nan 0.000 0.515 603 G N -0.476 108.399 108.800 0.126 0.000 2.561 603 G HA2 0.603 4.562 3.960 -0.000 0.000 0.310 603 G HA3 0.603 4.562 3.960 -0.000 0.000 0.310 603 G C -1.529 173.433 174.900 0.103 0.000 1.292 603 G CA -0.081 45.083 45.100 0.105 0.000 0.811 603 G HN -0.061 nan 8.290 nan 0.000 0.482 604 A N -0.866 122.008 122.820 0.090 0.000 2.462 604 A HA 0.536 4.856 4.320 -0.000 0.000 0.243 604 A C -0.057 177.568 177.584 0.069 0.000 1.076 604 A CA 0.006 52.083 52.037 0.068 0.000 0.773 604 A CB 0.469 19.504 19.000 0.058 0.000 1.010 604 A HN 1.257 nan 8.150 nan 0.000 0.493 605 V N 3.658 123.588 119.914 0.026 0.000 2.334 605 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 605 V C 0.772 176.850 176.094 -0.027 0.000 1.016 605 V CA -0.105 62.183 62.300 -0.021 0.000 0.832 605 V CB 0.778 32.572 31.823 -0.048 0.000 0.999 605 V HN 1.124 nan 8.190 nan 0.000 0.439 606 Q N 2.331 122.109 119.800 -0.037 0.000 2.297 606 Q HA 0.076 4.416 4.340 -0.000 0.000 0.203 606 Q C 0.937 176.913 176.000 -0.041 0.000 0.931 606 Q CA 0.287 56.077 55.803 -0.021 0.000 0.885 606 Q CB 0.332 29.075 28.738 0.009 0.000 0.991 606 Q HN 0.740 nan 8.270 nan 0.000 0.498 607 N N 1.313 119.959 118.700 -0.090 0.000 2.483 607 N HA -0.001 4.739 4.740 -0.000 0.000 0.269 607 N C -0.815 174.644 175.510 -0.085 0.000 1.209 607 N CA 0.019 53.013 53.050 -0.094 0.000 0.969 607 N CB 0.747 39.134 38.487 -0.166 0.000 1.173 607 N HN -0.033 nan 8.380 nan 0.000 0.475 608 E N -0.291 119.871 120.200 -0.063 0.000 2.418 608 E HA 0.175 4.525 4.350 -0.000 0.000 0.261 608 E C -0.387 176.163 176.600 -0.082 0.000 1.070 608 E CA -0.109 56.257 56.400 -0.056 0.000 0.931 608 E CB 0.646 30.324 29.700 -0.036 0.000 0.954 608 E HN 0.429 nan 8.360 nan 0.000 0.439 609 V N -1.115 118.754 119.914 -0.075 0.000 3.040 609 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 609 V C -0.427 175.627 176.094 -0.067 0.000 1.115 609 V CA -0.789 61.456 62.300 -0.092 0.000 0.998 609 V CB 2.028 33.787 31.823 -0.107 0.000 1.042 609 V HN 0.782 nan 8.190 nan 0.000 0.433 610 T N 1.005 115.517 114.554 -0.070 0.000 2.887 610 T HA 0.723 5.073 4.350 -0.000 0.000 0.288 610 T C -0.032 174.642 174.700 -0.043 0.000 1.021 610 T CA -0.638 61.435 62.100 -0.044 0.000 1.000 610 T CB 1.730 70.580 68.868 -0.030 0.000 1.034 610 T HN 0.742 nan 8.240 nan 0.000 0.467 611 L N 1.703 122.911 121.223 -0.026 0.000 3.168 611 L HA 0.276 4.616 4.340 -0.000 0.000 0.277 611 L C 1.348 178.219 176.870 0.001 0.000 1.245 611 L CA -0.344 54.482 54.840 -0.023 0.000 1.035 611 L CB 0.230 42.274 42.059 -0.025 0.000 1.399 611 L HN 1.021 nan 8.230 nan 0.000 0.580 612 T N -5.531 109.032 114.554 0.015 0.000 3.200 612 T HA 0.105 4.455 4.350 -0.000 0.000 0.284 612 T C 0.551 175.273 174.700 0.036 0.000 1.009 612 T CA -0.336 61.776 62.100 0.020 0.000 0.907 612 T CB -0.229 68.640 68.868 0.001 0.000 1.120 612 T HN 0.124 nan 8.240 nan 0.000 0.534 613 H N 2.750 121.802 119.070 -0.031 0.000 2.897 613 H HA 0.128 4.684 4.556 -0.000 0.000 0.347 613 H C -1.785 173.547 175.328 0.007 0.000 1.068 613 H CA -1.050 54.985 56.048 -0.022 0.000 1.426 613 H CB 1.613 31.348 29.762 -0.045 0.000 1.410 613 H HN -0.020 nan 8.280 nan 0.000 0.597 614 P HA -0.204 nan 4.420 nan 0.000 0.216 614 P C 1.684 179.105 177.300 0.200 0.000 1.150 614 P CA 0.981 64.075 63.100 -0.010 0.000 0.843 614 P CB 0.315 31.943 31.700 -0.119 0.000 0.787 615 I N -0.985 119.849 120.570 0.440 0.000 2.252 615 I HA -0.155 4.014 4.170 -0.000 0.000 0.245 615 I C 2.004 178.272 176.117 0.250 0.000 1.102 615 I CA 1.766 63.277 61.300 0.351 0.000 1.385 615 I CB -1.994 36.212 38.000 0.343 0.000 1.064 615 I HN 0.025 nan 8.210 nan 0.000 0.414 616 T N 1.438 116.102 114.554 0.182 0.000 2.665 616 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 616 T C 1.918 176.675 174.700 0.095 0.000 1.035 616 T CA 1.489 63.635 62.100 0.076 0.000 1.151 616 T CB -0.183 68.702 68.868 0.029 0.000 0.862 616 T HN 0.354 nan 8.240 nan 0.000 0.438 617 K N -0.130 120.338 120.400 0.113 0.000 2.097 617 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 617 K C 2.155 178.817 176.600 0.104 0.000 1.050 617 K CA 1.209 57.548 56.287 0.085 0.000 0.938 617 K CB -0.328 32.215 32.500 0.072 0.000 0.718 617 K HN 0.406 nan 8.250 nan 0.000 0.442 618 Y N 1.948 122.274 120.300 0.043 0.000 2.145 618 Y HA -0.196 4.354 4.550 -0.001 0.000 0.286 618 Y C 1.888 177.807 175.900 0.032 0.000 1.145 618 Y CA 1.367 59.487 58.100 0.034 0.000 1.148 618 Y CB -0.227 38.258 38.460 0.042 0.000 0.981 618 Y HN -0.091 nan 8.280 nan 0.000 0.507 619 I N -0.211 120.376 120.570 0.028 0.000 2.226 619 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 619 I C 2.471 178.572 176.117 -0.028 0.000 1.100 619 I CA 1.593 62.877 61.300 -0.027 0.000 1.374 619 I CB -0.435 37.667 38.000 0.171 0.000 1.057 619 I HN 0.312 nan 8.210 nan 0.000 0.413 620 M N 0.423 120.026 119.600 0.004 0.000 2.106 620 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 620 M C 2.594 178.860 176.300 -0.056 0.000 1.068 620 M CA 2.144 57.442 55.300 -0.003 0.000 1.100 620 M CB -0.637 31.966 32.600 0.005 0.000 1.351 620 M HN 0.348 nan 8.290 nan 0.000 0.404 621 A N -0.454 122.303 122.820 -0.105 0.000 1.933 621 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 621 A C 2.287 179.762 177.584 -0.183 0.000 1.175 621 A CA 1.597 53.554 52.037 -0.133 0.000 0.628 621 A CB -1.254 17.668 19.000 -0.130 0.000 0.814 621 A HN 0.618 nan 8.150 nan 0.000 0.444 622 C N -0.637 118.486 119.300 -0.294 0.000 2.411 622 C HA -0.119 4.341 4.460 -0.000 0.000 0.279 622 C C 2.636 177.613 174.990 -0.021 0.000 1.288 622 C CA 1.332 60.200 59.018 -0.251 0.000 1.764 622 C CB -1.261 26.233 27.740 -0.411 0.000 1.974 622 C HN 0.629 nan 8.230 nan 0.000 0.498 623 M N -0.045 119.559 119.600 0.007 0.000 2.659 623 M HA -0.037 4.442 4.480 -0.000 0.000 0.243 623 M C 1.947 178.144 176.300 -0.172 0.000 1.111 623 M CA 0.540 55.792 55.300 -0.079 0.000 1.070 623 M CB -0.444 32.111 32.600 -0.075 0.000 1.525 623 M HN 0.238 nan 8.290 nan 0.000 0.517 624 S N 0.567 116.196 115.700 -0.119 0.000 2.489 624 S HA 0.183 4.652 4.470 -0.000 0.000 0.228 624 S C 1.013 175.538 174.600 -0.124 0.000 0.995 624 S CA 0.061 58.192 58.200 -0.114 0.000 0.934 624 S CB -0.014 63.137 63.200 -0.082 0.000 0.771 624 S HN 0.520 nan 8.310 nan 0.000 0.522 625 A N 1.648 124.391 122.820 -0.127 0.000 2.366 625 A HA 0.283 4.603 4.320 -0.000 0.000 0.249 625 A C -0.286 177.192 177.584 -0.176 0.000 1.084 625 A CA -0.518 51.448 52.037 -0.118 0.000 0.794 625 A CB 0.101 19.054 19.000 -0.078 0.000 1.034 625 A HN 0.246 nan 8.150 nan 0.000 0.491 626 D N 0.613 120.934 120.400 -0.132 0.000 2.487 626 D HA 0.263 4.903 4.640 -0.000 0.000 0.243 626 D C -0.574 175.603 176.300 -0.206 0.000 1.154 626 D CA 1.085 55.002 54.000 -0.138 0.000 0.876 626 D CB 0.346 41.101 40.800 -0.075 0.000 1.161 626 D HN 0.339 nan 8.370 nan 0.000 0.478 627 L N 2.183 123.244 121.223 -0.271 0.000 2.343 627 L HA 0.226 4.566 4.340 -0.000 0.000 0.278 627 L C 0.553 177.359 176.870 -0.107 0.000 0.996 627 L CA -0.681 53.948 54.840 -0.352 0.000 0.831 627 L CB 1.850 43.445 42.059 -0.773 0.000 1.232 627 L HN 0.280 nan 8.230 nan 0.000 0.413 628 E N 3.724 123.957 120.200 0.054 0.000 2.257 628 E HA 0.383 4.733 4.350 -0.000 0.000 0.278 628 E C -1.028 175.658 176.600 0.143 0.000 1.049 628 E CA -0.493 55.953 56.400 0.075 0.000 0.876 628 E CB 1.134 30.858 29.700 0.040 0.000 1.035 628 E HN 0.409 nan 8.360 nan 0.000 0.419 629 V N 1.992 121.946 119.914 0.066 0.000 2.823 629 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 629 V C 0.116 176.176 176.094 -0.058 0.000 1.072 629 V CA -1.095 61.234 62.300 0.048 0.000 0.937 629 V CB 1.185 33.063 31.823 0.092 0.000 1.013 629 V HN 0.471 nan 8.190 nan 0.000 0.430 630 V N 1.443 121.261 119.914 -0.160 0.000 2.775 630 V HA 0.782 4.902 4.120 -0.000 0.000 0.299 630 V C 0.576 176.556 176.094 -0.190 0.000 1.062 630 V CA 0.618 62.723 62.300 -0.325 0.000 1.063 630 V CB 0.600 31.973 31.823 -0.750 0.000 0.994 630 V HN 1.298 nan 8.190 nan 0.000 0.483 631 T N 0.000 114.453 114.554 -0.169 0.000 3.816 631 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 631 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 631 T CB 0.000 68.907 68.868 0.065 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658