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 2zzc_1_A DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASILQ 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.449 174.600 -0.252 0.000 1.055 10 S CA 0.000 58.056 58.200 -0.240 0.000 1.107 10 S CB 0.000 63.141 63.200 -0.099 0.000 0.593 11 Y N 1.938 122.238 120.300 -0.001 0.000 2.392 11 Y HA 0.432 4.982 4.550 -0.000 0.000 0.323 11 Y C 1.474 177.369 175.900 -0.008 0.000 1.291 11 Y CA -0.529 57.591 58.100 0.034 0.000 1.345 11 Y CB 0.570 39.082 38.460 0.086 0.000 1.320 11 Y HN 0.724 nan 8.280 nan 0.000 0.518 12 D N -0.700 119.819 120.400 0.199 0.000 2.144 12 D HA -0.091 4.548 4.640 -0.001 0.000 0.200 12 D C -0.844 175.204 176.300 -0.419 0.000 0.978 12 D CA 1.728 55.694 54.000 -0.057 0.000 0.833 12 D CB 0.028 40.902 40.800 0.123 0.000 0.961 12 D HN 0.362 nan 8.370 nan 0.000 0.470 13 Y N -0.699 119.653 120.300 0.087 0.000 2.581 13 Y HA 0.242 4.791 4.550 -0.001 0.000 0.345 13 Y C 0.638 176.519 175.900 -0.032 0.000 1.036 13 Y CA -1.030 57.065 58.100 -0.009 0.000 1.042 13 Y CB 1.559 39.964 38.460 -0.092 0.000 1.289 13 Y HN -0.299 nan 8.280 nan 0.000 0.471 14 D N 0.484 120.946 120.400 0.104 0.000 2.194 14 D HA -0.005 4.634 4.640 -0.001 0.000 0.204 14 D C -0.451 175.856 176.300 0.011 0.000 0.964 14 D CA 1.504 55.525 54.000 0.035 0.000 0.846 14 D CB 0.602 41.369 40.800 -0.055 0.000 0.962 14 D HN 0.229 nan 8.370 nan 0.000 0.490 15 L N 0.482 121.696 121.223 -0.015 0.000 2.513 15 L HA 0.377 4.717 4.340 -0.001 0.000 0.261 15 L C -1.863 174.883 176.870 -0.207 0.000 0.945 15 L CA -0.520 54.267 54.840 -0.089 0.000 0.848 15 L CB 2.433 44.515 42.059 0.038 0.000 1.334 15 L HN -0.248 nan 8.230 nan 0.000 0.407 16 I N 5.493 125.846 120.570 -0.362 0.000 2.498 16 I HA 0.452 4.622 4.170 -0.001 0.000 0.290 16 I C -0.771 175.283 176.117 -0.105 0.000 1.032 16 I CA -0.529 60.578 61.300 -0.323 0.000 1.073 16 I CB 2.011 39.782 38.000 -0.381 0.000 1.251 16 I HN 0.535 nan 8.210 nan 0.000 0.426 17 I N 6.227 126.753 120.570 -0.073 0.000 2.378 17 I HA 0.362 4.532 4.170 -0.001 0.000 0.291 17 I C -0.470 175.650 176.117 0.005 0.000 0.992 17 I CA -0.607 60.697 61.300 0.006 0.000 1.154 17 I CB 1.961 39.954 38.000 -0.010 0.000 1.315 17 I HN 0.350 nan 8.210 nan 0.000 0.448 18 I N 5.860 126.453 120.570 0.038 0.000 2.307 18 I HA 0.652 4.822 4.170 -0.001 0.000 0.289 18 I C 0.461 176.571 176.117 -0.010 0.000 1.021 18 I CA -0.058 61.233 61.300 -0.016 0.000 1.224 18 I CB 1.062 39.035 38.000 -0.045 0.000 1.376 18 I HN 0.747 nan 8.210 nan 0.000 0.470 19 G N 3.597 112.387 108.800 -0.016 0.000 3.400 19 G HA2 0.224 4.184 3.960 -0.001 0.000 0.679 19 G HA3 0.224 4.184 3.960 -0.001 0.000 0.679 19 G C -0.180 174.718 174.900 -0.004 0.000 1.239 19 G CA -0.600 44.498 45.100 -0.004 0.000 1.049 19 G HN 0.959 nan 8.290 nan 0.000 0.539 20 G N 0.664 109.461 108.800 -0.004 0.000 4.804 20 G HA2 0.711 4.670 3.960 -0.001 0.000 0.310 20 G HA3 0.711 4.670 3.960 -0.001 0.000 0.310 20 G C 0.707 175.541 174.900 -0.110 0.000 1.389 20 G CA 0.792 45.864 45.100 -0.047 0.000 1.106 20 G HN 1.269 nan 8.290 nan 0.000 0.595 21 G N 0.136 108.881 108.800 -0.091 0.000 3.039 21 G HA2 0.423 4.383 3.960 -0.001 0.000 0.159 21 G HA3 0.423 4.383 3.960 -0.001 0.000 0.159 21 G C 1.194 176.008 174.900 -0.144 0.000 1.284 21 G CA 0.431 45.456 45.100 -0.124 0.000 0.996 21 G HN 0.172 nan 8.290 nan 0.000 0.592 22 S N -0.036 115.600 115.700 -0.106 0.000 2.351 22 S HA -0.102 4.368 4.470 -0.001 0.000 0.220 22 S C 2.430 177.007 174.600 -0.038 0.000 1.035 22 S CA 1.758 59.911 58.200 -0.077 0.000 1.031 22 S CB -0.825 62.346 63.200 -0.048 0.000 0.928 22 S HN 0.758 nan 8.310 nan 0.000 0.433 23 G N 1.188 109.979 108.800 -0.015 0.000 2.414 23 G HA2 0.032 3.991 3.960 -0.001 0.000 0.215 23 G HA3 0.032 3.991 3.960 -0.001 0.000 0.215 23 G C 1.499 176.399 174.900 -0.000 0.000 1.188 23 G CA 0.868 45.972 45.100 0.006 0.000 0.783 23 G HN 0.564 nan 8.290 nan 0.000 0.537 24 G N 1.131 109.927 108.800 -0.007 0.000 2.553 24 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 24 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 24 G C 1.822 176.708 174.900 -0.023 0.000 1.195 24 G CA 0.985 46.079 45.100 -0.009 0.000 0.779 24 G HN 0.409 nan 8.290 nan 0.000 0.577 25 L N 0.661 121.853 121.223 -0.052 0.000 2.131 25 L HA -0.018 4.322 4.340 -0.001 0.000 0.210 25 L C 3.384 180.249 176.870 -0.008 0.000 1.092 25 L CA 0.788 55.602 54.840 -0.044 0.000 0.759 25 L CB -0.435 41.569 42.059 -0.092 0.000 0.903 25 L HN 0.339 nan 8.230 nan 0.000 0.435 26 A N 0.420 123.237 122.820 -0.005 0.000 1.841 26 A HA -0.162 4.157 4.320 -0.001 0.000 0.214 26 A C 2.585 180.170 177.584 0.000 0.000 1.195 26 A CA 1.695 53.734 52.037 0.004 0.000 0.611 26 A CB -0.902 18.101 19.000 0.005 0.000 0.835 26 A HN 0.352 nan 8.150 nan 0.000 0.443 27 A N -0.187 122.638 122.820 0.008 0.000 1.948 27 A HA 0.048 4.367 4.320 -0.001 0.000 0.220 27 A C 2.481 180.077 177.584 0.020 0.000 1.177 27 A CA 2.486 54.537 52.037 0.022 0.000 0.636 27 A CB -1.085 17.932 19.000 0.029 0.000 0.815 27 A HN 1.130 nan 8.150 nan 0.000 0.449 28 A N -0.335 122.485 122.820 -0.001 0.000 1.851 28 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 28 A C 2.133 179.696 177.584 -0.036 0.000 1.195 28 A CA 1.948 53.975 52.037 -0.018 0.000 0.622 28 A CB -0.545 18.437 19.000 -0.030 0.000 0.831 28 A HN 0.522 nan 8.150 nan 0.000 0.444 29 K N -0.948 119.427 120.400 -0.042 0.000 2.063 29 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 29 K C 2.140 178.674 176.600 -0.111 0.000 1.048 29 K CA 1.698 57.943 56.287 -0.071 0.000 0.928 29 K CB -0.104 32.362 32.500 -0.057 0.000 0.713 29 K HN 0.519 nan 8.250 nan 0.000 0.442 30 E N 0.372 120.520 120.200 -0.086 0.000 2.106 30 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 30 E C 1.654 178.158 176.600 -0.161 0.000 0.984 30 E CA 1.273 57.594 56.400 -0.131 0.000 0.806 30 E CB -0.009 29.680 29.700 -0.019 0.000 0.750 30 E HN 0.324 nan 8.360 nan 0.000 0.458 31 A N 0.281 123.101 122.820 -0.000 0.000 1.970 31 A HA 0.116 4.435 4.320 -0.001 0.000 0.216 31 A C 2.280 179.811 177.584 -0.088 0.000 1.170 31 A CA 1.338 53.425 52.037 0.084 0.000 0.645 31 A CB -0.552 18.530 19.000 0.136 0.000 0.816 31 A HN 0.316 nan 8.150 nan 0.000 0.447 32 A N -1.030 121.722 122.820 -0.113 0.000 2.119 32 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 32 A C 1.994 179.479 177.584 -0.164 0.000 1.153 32 A CA 1.684 53.651 52.037 -0.117 0.000 0.692 32 A CB -0.342 18.604 19.000 -0.090 0.000 0.799 32 A HN 0.503 nan 8.150 nan 0.000 0.458 33 Q N -0.563 119.058 119.800 -0.298 0.000 2.124 33 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 33 Q C 0.660 176.457 176.000 -0.339 0.000 0.977 33 Q CA 1.705 57.259 55.803 -0.416 0.000 0.850 33 Q CB -0.495 27.820 28.738 -0.704 0.000 0.901 33 Q HN 0.808 nan 8.270 nan 0.000 0.429 34 Y N -1.296 118.993 120.300 -0.019 0.000 2.537 34 Y HA 0.312 4.862 4.550 -0.001 0.000 0.303 34 Y C 1.309 177.173 175.900 -0.060 0.000 1.176 34 Y CA -0.193 57.897 58.100 -0.017 0.000 1.273 34 Y CB 0.154 38.635 38.460 0.034 0.000 1.110 34 Y HN 0.233 nan 8.280 nan 0.000 0.518 35 G N 0.150 108.961 108.800 0.019 0.000 2.155 35 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.257 35 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.257 35 G C 0.267 175.131 174.900 -0.060 0.000 0.983 35 G CA -0.189 44.900 45.100 -0.018 0.000 0.676 35 G HN 0.153 nan 8.290 nan 0.000 0.528 36 K N 0.302 120.624 120.400 -0.131 0.000 2.202 36 K HA 0.309 4.629 4.320 -0.001 0.000 0.264 36 K C 0.581 177.117 176.600 -0.106 0.000 1.010 36 K CA -0.452 55.713 56.287 -0.203 0.000 0.940 36 K CB 0.888 33.081 32.500 -0.511 0.000 0.983 36 K HN 0.320 nan 8.250 nan 0.000 0.475 37 K N 1.677 122.047 120.400 -0.051 0.000 2.312 37 K HA 0.221 4.541 4.320 -0.001 0.000 0.287 37 K C -0.949 175.733 176.600 0.137 0.000 1.062 37 K CA -0.311 56.010 56.287 0.056 0.000 0.934 37 K CB 0.557 33.075 32.500 0.030 0.000 1.027 37 K HN 0.205 nan 8.250 nan 0.000 0.478 38 V N 5.541 125.531 119.914 0.127 0.000 2.760 38 V HA 0.432 4.552 4.120 -0.001 0.000 0.309 38 V C -0.580 175.403 176.094 -0.186 0.000 1.077 38 V CA -0.924 61.368 62.300 -0.013 0.000 0.910 38 V CB 1.914 33.703 31.823 -0.056 0.000 1.008 38 V HN 0.854 nan 8.190 nan 0.000 0.424 39 M N 4.171 123.505 119.600 -0.443 0.000 2.395 39 M HA 0.764 5.244 4.480 -0.001 0.000 0.307 39 M C -2.066 174.038 176.300 -0.328 0.000 1.091 39 M CA -0.593 54.344 55.300 -0.604 0.000 0.919 39 M CB 2.126 33.936 32.600 -1.315 0.000 1.662 39 M HN 0.468 nan 8.290 nan 0.000 0.440 40 V N 5.737 125.536 119.914 -0.193 0.000 2.444 40 V HA 0.483 4.603 4.120 -0.001 0.000 0.294 40 V C -0.798 175.283 176.094 -0.022 0.000 1.022 40 V CA -0.627 61.630 62.300 -0.071 0.000 0.850 40 V CB 1.981 33.807 31.823 0.005 0.000 0.992 40 V HN 0.783 nan 8.190 nan 0.000 0.426 41 L N 4.569 125.768 121.223 -0.041 0.000 2.282 41 L HA 0.656 4.996 4.340 -0.001 0.000 0.288 41 L C -0.710 176.188 176.870 0.047 0.000 1.033 41 L CA -0.093 54.733 54.840 -0.023 0.000 0.807 41 L CB 1.627 43.645 42.059 -0.068 0.000 1.209 41 L HN 0.640 nan 8.230 nan 0.000 0.423 42 D N 2.450 122.927 120.400 0.129 0.000 2.936 42 D HA 0.523 5.163 4.640 -0.001 0.000 0.238 42 D C -1.691 174.724 176.300 0.192 0.000 1.248 42 D CA -0.219 53.874 54.000 0.156 0.000 0.903 42 D CB 1.596 42.518 40.800 0.203 0.000 1.544 42 D HN 0.213 nan 8.370 nan 0.000 0.543 43 F N 3.519 123.460 119.950 -0.015 0.000 2.591 43 F HA 0.588 5.115 4.527 -0.000 0.000 0.309 43 F C -1.587 174.187 175.800 -0.043 0.000 1.098 43 F CA -0.666 57.328 58.000 -0.010 0.000 0.937 43 F CB 1.803 40.814 39.000 0.019 0.000 1.250 43 F HN 0.139 nan 8.300 nan 0.000 0.447 44 V N 3.945 123.403 119.914 -0.759 0.000 2.275 44 V HA 0.256 4.375 4.120 -0.001 0.000 0.272 44 V C -0.088 175.676 176.094 -0.550 0.000 1.028 44 V CA -0.567 61.380 62.300 -0.588 0.000 0.810 44 V CB 1.084 32.367 31.823 -0.899 0.000 1.043 44 V HN 0.825 nan 8.190 nan 0.000 0.453 45 T N 4.355 118.876 114.554 -0.054 0.000 2.814 45 T HA 0.410 4.760 4.350 -0.001 0.000 0.297 45 T C -1.908 172.726 174.700 -0.110 0.000 0.956 45 T CA -1.220 60.949 62.100 0.116 0.000 1.123 45 T CB 0.911 69.931 68.868 0.253 0.000 0.902 45 T HN 0.408 nan 8.240 nan 0.000 0.528 46 P HA 0.135 nan 4.420 nan 0.000 0.271 46 P C 0.379 177.659 177.300 -0.034 0.000 1.233 46 P CA -0.285 62.733 63.100 -0.137 0.000 0.795 46 P CB 0.146 31.806 31.700 -0.066 0.000 0.936 47 T N -2.722 111.843 114.554 0.018 0.000 2.874 47 T HA 0.298 4.648 4.350 -0.001 0.000 0.281 47 T C -1.899 172.849 174.700 0.080 0.000 0.994 47 T CA -1.808 60.358 62.100 0.111 0.000 1.015 47 T CB 0.368 69.355 68.868 0.198 0.000 1.028 47 T HN 0.133 nan 8.240 nan 0.000 0.523 48 P HA -0.046 nan 4.420 nan 0.000 0.217 48 P C 0.896 178.216 177.300 0.032 0.000 1.148 48 P CA 0.940 64.045 63.100 0.008 0.000 0.834 48 P CB -0.134 31.526 31.700 -0.066 0.000 0.783 49 L N -2.906 118.365 121.223 0.080 0.000 2.611 49 L HA 0.353 4.693 4.340 -0.001 0.000 0.229 49 L C 1.461 178.376 176.870 0.076 0.000 1.137 49 L CA 0.805 55.693 54.840 0.080 0.000 0.901 49 L CB -0.953 41.173 42.059 0.111 0.000 1.098 49 L HN 0.033 nan 8.230 nan 0.000 0.456 50 G N -0.798 108.040 108.800 0.064 0.000 2.137 50 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.237 50 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.237 50 G C 0.312 175.245 174.900 0.054 0.000 1.002 50 G CA 0.173 45.301 45.100 0.047 0.000 0.702 50 G HN 0.254 nan 8.290 nan 0.000 0.515 51 T N 1.566 116.176 114.554 0.093 0.000 2.832 51 T HA 0.590 4.940 4.350 -0.001 0.000 0.296 51 T C 0.589 175.304 174.700 0.025 0.000 0.968 51 T CA 0.323 62.511 62.100 0.146 0.000 1.107 51 T CB 1.052 70.088 68.868 0.280 0.000 0.916 51 T HN 0.814 nan 8.240 nan 0.000 0.517 52 R N 1.549 122.048 120.500 -0.002 0.000 2.836 52 R HA 0.767 5.107 4.340 -0.001 0.000 0.269 52 R C -1.787 174.510 176.300 -0.005 0.000 1.010 52 R CA -1.146 54.753 56.100 -0.335 0.000 0.930 52 R CB 1.718 31.831 30.300 -0.311 0.000 1.218 52 R HN 0.724 nan 8.270 nan 0.000 0.473 53 W N -0.775 120.509 121.300 -0.026 0.000 2.988 53 W HA 0.699 5.359 4.660 -0.000 0.000 0.355 53 W C -0.632 175.865 176.519 -0.038 0.000 1.233 53 W CA -1.034 56.301 57.345 -0.017 0.000 1.176 53 W CB 0.104 29.566 29.460 0.002 0.000 1.477 53 W HN 0.840 nan 8.180 nan 0.000 0.582 54 G N 0.623 109.609 108.800 0.311 0.000 2.553 54 G HA2 0.381 4.341 3.960 -0.001 0.000 0.278 54 G HA3 0.381 4.341 3.960 -0.001 0.000 0.278 54 G C -0.841 174.164 174.900 0.176 0.000 1.349 54 G CA -0.801 44.405 45.100 0.177 0.000 1.037 54 G HN 0.812 nan 8.290 nan 0.000 0.508 55 L N -0.125 121.140 121.223 0.070 0.000 2.483 55 L HA 0.466 4.806 4.340 -0.001 0.000 0.275 55 L C 1.390 178.202 176.870 -0.097 0.000 1.220 55 L CA 2.049 56.864 54.840 -0.042 0.000 0.833 55 L CB 0.888 42.820 42.059 -0.212 0.000 1.102 55 L HN 1.244 nan 8.230 nan 0.000 0.490 56 G N 1.096 109.757 108.800 -0.232 0.000 3.033 56 G HA2 0.342 4.301 3.960 -0.001 0.000 0.196 56 G HA3 0.342 4.301 3.960 -0.001 0.000 0.196 56 G C 0.757 175.491 174.900 -0.277 0.000 1.078 56 G CA 0.186 45.033 45.100 -0.422 0.000 0.805 56 G HN 2.002 nan 8.290 nan 0.000 0.472 57 G N -1.316 107.434 108.800 -0.082 0.000 2.526 57 G HA2 0.238 4.197 3.960 -0.001 0.000 0.250 57 G HA3 0.238 4.197 3.960 -0.001 0.000 0.250 57 G C 0.690 175.566 174.900 -0.039 0.000 1.289 57 G CA 0.687 45.774 45.100 -0.022 0.000 0.947 57 G HN 1.157 nan 8.290 nan 0.000 0.517 58 T N -0.426 114.114 114.554 -0.024 0.000 2.674 58 T HA -0.208 4.142 4.350 -0.001 0.000 0.265 58 T C 2.482 177.080 174.700 -0.171 0.000 1.039 58 T CA 2.608 64.662 62.100 -0.078 0.000 1.150 58 T CB -0.718 68.142 68.868 -0.013 0.000 0.864 58 T HN 1.031 nan 8.240 nan 0.000 0.427 59 c N 1.173 119.691 118.600 -0.137 0.000 2.367 59 c HA -0.138 4.432 4.570 -0.001 0.000 0.276 59 c C 2.814 176.782 174.090 -0.204 0.000 1.195 59 c CA 1.128 57.364 56.329 -0.155 0.000 1.756 59 c CB -1.259 41.182 42.510 -0.114 0.000 2.046 59 c HN 0.407 nan 8.230 nan 0.000 0.453 60 V N 1.676 121.475 119.914 -0.192 0.000 2.261 60 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 60 V C 2.177 178.127 176.094 -0.241 0.000 1.047 60 V CA 2.532 64.724 62.300 -0.179 0.000 1.015 60 V CB -0.666 31.058 31.823 -0.164 0.000 0.642 60 V HN 0.610 nan 8.190 nan 0.000 0.446 61 N N 0.020 118.519 118.700 -0.336 0.000 2.402 61 N HA 0.009 4.748 4.740 -0.001 0.000 0.174 61 N C 1.096 176.259 175.510 -0.579 0.000 1.027 61 N CA 1.571 54.332 53.050 -0.481 0.000 0.891 61 N CB 1.072 39.078 38.487 -0.802 0.000 1.016 61 N HN 0.572 nan 8.380 nan 0.000 0.439 62 V N -3.884 115.700 119.914 -0.549 0.000 3.399 62 V HA 0.604 4.723 4.120 -0.001 0.000 0.357 62 V C 0.392 176.363 176.094 -0.205 0.000 1.480 62 V CA -0.236 61.859 62.300 -0.342 0.000 1.263 62 V CB 0.483 31.996 31.823 -0.518 0.000 1.103 62 V HN 0.115 nan 8.190 nan 0.000 0.533 63 G N -0.162 108.417 108.800 -0.368 0.000 3.366 63 G HA2 0.278 4.238 3.960 -0.001 0.000 0.179 63 G HA3 0.278 4.238 3.960 -0.001 0.000 0.179 63 G C 0.966 175.664 174.900 -0.337 0.000 1.143 63 G CA 0.599 45.557 45.100 -0.236 0.000 0.810 63 G HN 0.293 nan 8.290 nan 0.000 0.697 64 c N 0.969 119.442 118.600 -0.211 0.000 2.269 64 c HA -0.208 4.362 4.570 -0.001 0.000 0.264 64 c C 2.731 176.646 174.090 -0.293 0.000 1.112 64 c CA 0.955 57.159 56.329 -0.208 0.000 1.805 64 c CB -1.606 40.820 42.510 -0.140 0.000 1.958 64 c HN 0.443 nan 8.230 nan 0.000 0.418 65 I N 2.615 123.022 120.570 -0.271 0.000 2.069 65 I HA -0.137 4.033 4.170 -0.001 0.000 0.237 65 I C 0.246 176.146 176.117 -0.361 0.000 1.053 65 I CA 2.110 63.259 61.300 -0.252 0.000 1.311 65 I CB -2.953 34.954 38.000 -0.155 0.000 1.030 65 I HN 0.296 nan 8.210 nan 0.000 0.398 66 P HA -0.181 nan 4.420 nan 0.000 0.218 66 P C 1.665 178.535 177.300 -0.716 0.000 1.149 66 P CA 1.474 64.166 63.100 -0.679 0.000 0.817 66 P CB -0.077 31.012 31.700 -1.017 0.000 0.785 67 K N 1.359 121.290 120.400 -0.782 0.000 1.978 67 K HA -0.189 4.130 4.320 -0.001 0.000 0.214 67 K C 2.179 178.554 176.600 -0.374 0.000 1.049 67 K CA 1.927 57.974 56.287 -0.400 0.000 0.939 67 K CB -0.805 31.593 32.500 -0.170 0.000 0.721 67 K HN -0.139 nan 8.250 nan 0.000 0.441 68 K N 0.996 121.177 120.400 -0.366 0.000 2.074 68 K HA -0.075 4.244 4.320 -0.001 0.000 0.209 68 K C 2.261 178.701 176.600 -0.266 0.000 1.048 68 K CA 1.441 57.520 56.287 -0.346 0.000 0.926 68 K CB -0.413 31.831 32.500 -0.427 0.000 0.713 68 K HN 0.233 nan 8.250 nan 0.000 0.444 69 L N -0.295 120.746 121.223 -0.303 0.000 2.131 69 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 69 L C 2.523 179.219 176.870 -0.290 0.000 1.092 69 L CA 1.207 55.885 54.840 -0.269 0.000 0.759 69 L CB -0.305 41.599 42.059 -0.258 0.000 0.903 69 L HN 0.281 nan 8.230 nan 0.000 0.435 70 M N -1.428 117.919 119.600 -0.422 0.000 2.236 70 M HA -0.169 4.310 4.480 -0.001 0.000 0.266 70 M C 2.333 178.386 176.300 -0.413 0.000 1.070 70 M CA 1.141 56.107 55.300 -0.556 0.000 1.137 70 M CB -0.301 31.634 32.600 -1.109 0.000 1.378 70 M HN 0.242 nan 8.290 nan 0.000 0.426 71 H N 0.154 118.958 119.070 -0.443 0.000 2.387 71 H HA -0.211 4.345 4.556 -0.000 0.000 0.299 71 H C 1.939 177.229 175.328 -0.063 0.000 1.099 71 H CA 2.126 58.106 56.048 -0.113 0.000 1.315 71 H CB -0.007 29.728 29.762 -0.046 0.000 1.380 71 H HN 0.267 nan 8.280 nan 0.000 0.513 72 Q N 0.392 120.070 119.800 -0.204 0.000 2.083 72 Q HA 0.040 4.380 4.340 -0.001 0.000 0.198 72 Q C 2.445 178.342 176.000 -0.170 0.000 0.969 72 Q CA 1.781 57.451 55.803 -0.221 0.000 0.838 72 Q CB -0.810 27.822 28.738 -0.177 0.000 0.900 72 Q HN 0.523 nan 8.270 nan 0.000 0.436 73 A N 0.201 122.929 122.820 -0.153 0.000 1.978 73 A HA -0.088 4.231 4.320 -0.001 0.000 0.220 73 A C 2.193 179.707 177.584 -0.117 0.000 1.170 73 A CA 1.963 53.929 52.037 -0.119 0.000 0.636 73 A CB -0.952 17.980 19.000 -0.114 0.000 0.810 73 A HN 0.501 nan 8.150 nan 0.000 0.448 74 A N -1.023 121.744 122.820 -0.090 0.000 2.072 74 A HA 0.274 4.593 4.320 -0.001 0.000 0.216 74 A C 2.035 179.580 177.584 -0.064 0.000 1.156 74 A CA 0.871 52.883 52.037 -0.041 0.000 0.701 74 A CB -0.335 18.718 19.000 0.088 0.000 0.816 74 A HN 0.436 nan 8.150 nan 0.000 0.458 75 L N -0.569 120.573 121.223 -0.136 0.000 2.109 75 L HA -0.058 4.282 4.340 -0.001 0.000 0.207 75 L C 2.340 179.162 176.870 -0.079 0.000 1.086 75 L CA 0.648 55.413 54.840 -0.124 0.000 0.760 75 L CB -0.359 41.582 42.059 -0.197 0.000 0.910 75 L HN 0.348 nan 8.230 nan 0.000 0.437 76 L N -0.516 120.655 121.223 -0.088 0.000 2.127 76 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 76 L C 2.593 179.432 176.870 -0.050 0.000 1.089 76 L CA 1.294 56.092 54.840 -0.070 0.000 0.757 76 L CB -1.115 40.900 42.059 -0.073 0.000 0.899 76 L HN 0.357 nan 8.230 nan 0.000 0.434 77 G N -0.635 108.137 108.800 -0.046 0.000 2.421 77 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.216 77 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.216 77 G C 1.490 176.382 174.900 -0.014 0.000 1.171 77 G CA 0.818 45.903 45.100 -0.025 0.000 0.775 77 G HN 0.305 nan 8.290 nan 0.000 0.543 78 Q N 0.717 120.505 119.800 -0.020 0.000 2.084 78 Q HA 0.121 4.460 4.340 -0.001 0.000 0.202 78 Q C 2.662 178.657 176.000 -0.008 0.000 0.978 78 Q CA 1.958 57.751 55.803 -0.018 0.000 0.844 78 Q CB -0.629 28.088 28.738 -0.035 0.000 0.898 78 Q HN 0.359 nan 8.270 nan 0.000 0.426 79 A N 0.280 123.088 122.820 -0.019 0.000 1.940 79 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 79 A C 2.098 179.670 177.584 -0.021 0.000 1.176 79 A CA 1.563 53.585 52.037 -0.024 0.000 0.631 79 A CB -0.837 18.127 19.000 -0.059 0.000 0.814 79 A HN 0.479 nan 8.150 nan 0.000 0.446 80 L N -1.216 119.992 121.223 -0.024 0.000 2.083 80 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 80 L C 2.873 179.762 176.870 0.031 0.000 1.083 80 L CA 1.792 56.623 54.840 -0.014 0.000 0.752 80 L CB -0.490 41.562 42.059 -0.010 0.000 0.899 80 L HN 0.574 nan 8.230 nan 0.000 0.433 81 Q N 0.094 119.916 119.800 0.037 0.000 2.046 81 Q HA -0.232 4.107 4.340 -0.001 0.000 0.200 81 Q C 1.745 177.802 176.000 0.095 0.000 0.975 81 Q CA 1.872 57.709 55.803 0.056 0.000 0.836 81 Q CB 0.121 28.881 28.738 0.037 0.000 0.896 81 Q HN 0.381 nan 8.270 nan 0.000 0.428 82 D N -0.330 120.134 120.400 0.107 0.000 2.178 82 D HA -0.137 4.502 4.640 -0.001 0.000 0.201 82 D C 2.023 178.505 176.300 0.304 0.000 0.980 82 D CA 1.424 55.541 54.000 0.195 0.000 0.842 82 D CB -0.252 40.656 40.800 0.179 0.000 0.948 82 D HN 0.354 nan 8.370 nan 0.000 0.472 83 S N 0.259 116.088 115.700 0.214 0.000 2.419 83 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 83 S C 1.902 176.759 174.600 0.427 0.000 1.016 83 S CA 0.561 58.951 58.200 0.316 0.000 0.974 83 S CB -0.155 63.103 63.200 0.097 0.000 0.786 83 S HN 0.167 nan 8.310 nan 0.000 0.492 84 R N 1.949 122.612 120.500 0.273 0.000 2.080 84 R HA -0.039 4.301 4.340 -0.001 0.000 0.236 84 R C 2.035 178.434 176.300 0.166 0.000 1.137 84 R CA 2.016 58.242 56.100 0.209 0.000 0.943 84 R CB -0.665 29.715 30.300 0.133 0.000 0.846 84 R HN 0.533 nan 8.270 nan 0.000 0.431 85 N N -0.513 118.264 118.700 0.128 0.000 2.381 85 N HA -0.136 4.603 4.740 -0.001 0.000 0.182 85 N C 0.727 176.205 175.510 -0.053 0.000 1.025 85 N CA 0.911 53.964 53.050 0.004 0.000 0.888 85 N CB -0.088 38.351 38.487 -0.080 0.000 0.965 85 N HN 0.292 nan 8.380 nan 0.000 0.438 86 Y N -0.497 119.864 120.300 0.103 0.000 2.529 86 Y HA 0.229 4.779 4.550 -0.000 0.000 0.290 86 Y C 1.699 177.569 175.900 -0.050 0.000 1.177 86 Y CA 0.274 58.417 58.100 0.073 0.000 1.305 86 Y CB 0.143 38.707 38.460 0.173 0.000 1.047 86 Y HN 0.148 nan 8.280 nan 0.000 0.522 87 G N -1.861 106.975 108.800 0.059 0.000 2.184 87 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.206 87 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.206 87 G C -0.230 174.579 174.900 -0.151 0.000 0.995 87 G CA -0.644 44.396 45.100 -0.101 0.000 0.651 87 G HN 0.272 nan 8.290 nan 0.000 0.511 88 W N 2.100 123.446 121.300 0.078 0.000 2.266 88 W HA 0.568 5.229 4.660 0.003 0.000 0.317 88 W C 0.872 177.417 176.519 0.044 0.000 1.310 88 W CA -0.532 56.846 57.345 0.055 0.000 1.207 88 W CB 0.687 30.181 29.460 0.056 0.000 1.199 88 W HN -0.086 nan 8.180 nan 0.000 0.544 89 K N 3.589 124.151 120.400 0.269 0.000 2.171 89 K HA 0.284 4.603 4.320 -0.001 0.000 0.274 89 K C -0.640 176.060 176.600 0.167 0.000 1.110 89 K CA -0.183 56.204 56.287 0.167 0.000 0.952 89 K CB 0.148 32.714 32.500 0.111 0.000 1.309 89 K HN 0.209 nan 8.250 nan 0.000 0.414 90 V N 2.209 122.211 119.914 0.148 0.000 2.823 90 V HA 0.137 4.257 4.120 -0.001 0.000 0.312 90 V C -0.288 175.853 176.094 0.079 0.000 1.072 90 V CA -1.250 61.114 62.300 0.107 0.000 0.937 90 V CB 2.148 34.030 31.823 0.099 0.000 1.013 90 V HN 0.589 nan 8.190 nan 0.000 0.430 91 E N 1.602 121.838 120.200 0.060 0.000 2.437 91 E HA 0.028 4.377 4.350 -0.001 0.000 0.263 91 E C 0.971 177.600 176.600 0.048 0.000 1.030 91 E CA 0.117 56.546 56.400 0.049 0.000 0.934 91 E CB 0.493 30.217 29.700 0.041 0.000 0.943 91 E HN 0.668 nan 8.360 nan 0.000 0.444 92 E N 0.877 121.103 120.200 0.043 0.000 2.265 92 E HA -0.100 4.249 4.350 -0.001 0.000 0.196 92 E C -0.374 176.249 176.600 0.038 0.000 0.996 92 E CA 0.925 57.349 56.400 0.040 0.000 0.832 92 E CB 0.348 30.068 29.700 0.034 0.000 0.756 92 E HN 0.439 nan 8.360 nan 0.000 0.491 93 T N 0.331 114.908 114.554 0.037 0.000 3.143 93 T HA 0.332 4.682 4.350 -0.001 0.000 0.312 93 T C -0.805 173.920 174.700 0.041 0.000 0.986 93 T CA -0.561 61.561 62.100 0.038 0.000 1.024 93 T CB 2.141 71.029 68.868 0.035 0.000 1.030 93 T HN -0.221 nan 8.240 nan 0.000 0.448 94 V N 3.888 123.829 119.914 0.045 0.000 2.483 94 V HA 0.450 4.570 4.120 -0.001 0.000 0.295 94 V C 0.273 176.409 176.094 0.069 0.000 1.035 94 V CA -1.020 61.310 62.300 0.050 0.000 0.896 94 V CB 1.636 33.485 31.823 0.044 0.000 0.986 94 V HN 0.706 nan 8.190 nan 0.000 0.447 95 K N 3.328 123.770 120.400 0.070 0.000 2.185 95 K HA 0.378 4.697 4.320 -0.001 0.000 0.271 95 K C -0.429 176.251 176.600 0.135 0.000 1.013 95 K CA -0.529 55.813 56.287 0.093 0.000 0.943 95 K CB 0.802 33.341 32.500 0.066 0.000 0.998 95 K HN 0.756 nan 8.250 nan 0.000 0.468 96 H N 1.833 120.938 119.070 0.059 0.000 2.489 96 H HA 0.118 4.674 4.556 -0.001 0.000 0.343 96 H C -1.409 173.977 175.328 0.097 0.000 1.086 96 H CA -0.616 55.473 56.048 0.068 0.000 1.198 96 H CB 1.664 31.475 29.762 0.082 0.000 1.490 96 H HN 0.568 nan 8.280 nan 0.000 0.504 97 D N 5.349 125.442 120.400 -0.512 0.000 2.396 97 D HA -0.052 4.587 4.640 -0.001 0.000 0.225 97 D C 1.019 177.034 176.300 -0.476 0.000 1.121 97 D CA -0.470 53.328 54.000 -0.337 0.000 0.853 97 D CB 0.209 40.891 40.800 -0.196 0.000 1.043 97 D HN 0.642 nan 8.370 nan 0.000 0.500 98 W N 4.419 125.574 121.300 -0.242 0.000 2.342 98 W HA -0.186 4.473 4.660 -0.001 0.000 0.297 98 W C 0.547 177.043 176.519 -0.040 0.000 1.213 98 W CA 1.033 58.349 57.345 -0.048 0.000 1.251 98 W CB 0.210 29.717 29.460 0.079 0.000 1.136 98 W HN 0.430 nan 8.180 nan 0.000 0.526 99 D N 0.136 120.611 120.400 0.126 0.000 2.097 99 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 99 D C 2.057 178.314 176.300 -0.072 0.000 0.989 99 D CA 1.876 55.918 54.000 0.071 0.000 0.827 99 D CB -0.552 40.314 40.800 0.110 0.000 0.966 99 D HN 0.100 nan 8.370 nan 0.000 0.456 100 R N 0.566 121.006 120.500 -0.100 0.000 2.105 100 R HA -0.094 4.246 4.340 -0.001 0.000 0.239 100 R C 2.202 178.409 176.300 -0.155 0.000 1.135 100 R CA 1.117 57.149 56.100 -0.112 0.000 0.967 100 R CB -0.478 29.752 30.300 -0.116 0.000 0.861 100 R HN 0.178 nan 8.270 nan 0.000 0.442 101 M N -0.455 119.002 119.600 -0.240 0.000 2.077 101 M HA -0.151 4.328 4.480 -0.001 0.000 0.261 101 M C 1.574 177.706 176.300 -0.280 0.000 1.070 101 M CA 1.688 56.841 55.300 -0.246 0.000 1.125 101 M CB -0.053 32.396 32.600 -0.251 0.000 1.339 101 M HN 0.187 nan 8.290 nan 0.000 0.409 102 I N 0.469 120.806 120.570 -0.388 0.000 2.179 102 I HA -0.260 3.909 4.170 -0.001 0.000 0.242 102 I C 2.124 178.173 176.117 -0.113 0.000 1.088 102 I CA 1.601 62.742 61.300 -0.265 0.000 1.357 102 I CB -1.573 36.296 38.000 -0.217 0.000 1.051 102 I HN 0.422 nan 8.210 nan 0.000 0.409 103 E N 0.918 121.068 120.200 -0.083 0.000 2.118 103 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 103 E C 2.305 178.879 176.600 -0.044 0.000 0.992 103 E CA 1.465 57.842 56.400 -0.039 0.000 0.804 103 E CB -0.057 29.627 29.700 -0.027 0.000 0.741 103 E HN 0.509 nan 8.360 nan 0.000 0.458 104 A N 0.690 123.468 122.820 -0.070 0.000 1.873 104 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 104 A C 2.474 180.030 177.584 -0.046 0.000 1.186 104 A CA 1.020 53.021 52.037 -0.060 0.000 0.616 104 A CB -0.546 18.404 19.000 -0.084 0.000 0.823 104 A HN 0.116 nan 8.150 nan 0.000 0.442 105 V N 0.178 120.047 119.914 -0.075 0.000 2.407 105 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 105 V C 2.683 178.771 176.094 -0.010 0.000 1.055 105 V CA 1.976 64.241 62.300 -0.058 0.000 1.049 105 V CB -0.702 31.056 31.823 -0.107 0.000 0.662 105 V HN 0.535 nan 8.190 nan 0.000 0.455 106 Q N -0.210 119.583 119.800 -0.013 0.000 2.123 106 Q HA -0.139 4.200 4.340 -0.001 0.000 0.199 106 Q C 2.152 178.157 176.000 0.008 0.000 0.966 106 Q CA 1.461 57.267 55.803 0.005 0.000 0.845 106 Q CB -0.642 28.109 28.738 0.021 0.000 0.907 106 Q HN 0.712 nan 8.270 nan 0.000 0.439 107 N N 0.384 119.088 118.700 0.008 0.000 2.223 107 N HA -0.201 4.539 4.740 -0.001 0.000 0.185 107 N C 1.637 177.160 175.510 0.022 0.000 1.016 107 N CA 1.401 54.454 53.050 0.005 0.000 0.863 107 N CB -0.101 38.385 38.487 -0.002 0.000 0.983 107 N HN 0.272 nan 8.380 nan 0.000 0.429 108 H N -0.265 118.776 119.070 -0.047 0.000 2.395 108 H HA 0.173 4.728 4.556 -0.000 0.000 0.299 108 H C 1.867 177.181 175.328 -0.023 0.000 1.070 108 H CA 1.394 57.416 56.048 -0.043 0.000 1.356 108 H CB -0.139 29.582 29.762 -0.068 0.000 1.401 108 H HN 0.246 nan 8.280 nan 0.000 0.524 109 I N -0.228 120.288 120.570 -0.090 0.000 2.286 109 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 109 I C 2.653 178.732 176.117 -0.063 0.000 1.115 109 I CA 1.094 62.331 61.300 -0.106 0.000 1.392 109 I CB -0.637 37.326 38.000 -0.061 0.000 1.065 109 I HN 0.446 nan 8.210 nan 0.000 0.418 110 G N 0.300 109.082 108.800 -0.030 0.000 2.491 110 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 110 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 110 G C 1.754 176.673 174.900 0.031 0.000 1.180 110 G CA 1.071 46.178 45.100 0.011 0.000 0.774 110 G HN 0.341 nan 8.290 nan 0.000 0.562 111 S N 0.429 116.110 115.700 -0.032 0.000 2.365 111 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 111 S C 2.339 176.979 174.600 0.068 0.000 1.039 111 S CA 1.269 59.481 58.200 0.020 0.000 1.033 111 S CB -0.293 62.854 63.200 -0.089 0.000 0.887 111 S HN 0.337 nan 8.310 nan 0.000 0.447 112 L N 1.391 122.568 121.223 -0.077 0.000 2.093 112 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 112 L C 2.289 179.263 176.870 0.174 0.000 1.085 112 L CA 0.774 55.614 54.840 -0.000 0.000 0.755 112 L CB -0.705 41.351 42.059 -0.004 0.000 0.904 112 L HN 0.266 nan 8.230 nan 0.000 0.435 113 N N -0.206 118.578 118.700 0.141 0.000 2.025 113 N HA -0.257 4.483 4.740 -0.001 0.000 0.194 113 N C 1.506 177.112 175.510 0.159 0.000 1.044 113 N CA 1.734 54.873 53.050 0.149 0.000 0.851 113 N CB -0.564 37.996 38.487 0.121 0.000 1.036 113 N HN 0.416 nan 8.380 nan 0.000 0.422 114 W N 2.032 123.325 121.300 -0.013 0.000 2.315 114 W HA -0.132 4.527 4.660 -0.001 0.000 0.323 114 W C 2.449 178.933 176.519 -0.059 0.000 1.233 114 W CA 2.518 59.845 57.345 -0.029 0.000 1.267 114 W CB -1.039 28.399 29.460 -0.036 0.000 1.160 114 W HN 0.099 nan 8.180 nan 0.000 0.474 115 G N -0.612 108.134 108.800 -0.092 0.000 2.529 115 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.219 115 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.219 115 G C 1.320 175.935 174.900 -0.473 0.000 1.177 115 G CA 1.520 46.362 45.100 -0.430 0.000 0.773 115 G HN 0.401 nan 8.290 nan 0.000 0.573 116 Y N 0.775 120.937 120.300 -0.231 0.000 2.207 116 Y HA -0.050 4.500 4.550 -0.001 0.000 0.287 116 Y C 3.105 178.823 175.900 -0.303 0.000 1.156 116 Y CA 1.464 59.422 58.100 -0.237 0.000 1.182 116 Y CB -0.160 38.183 38.460 -0.195 0.000 0.979 116 Y HN 0.092 nan 8.280 nan 0.000 0.521 117 R N -0.849 119.535 120.500 -0.193 0.000 2.066 117 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 117 R C 2.238 178.371 176.300 -0.279 0.000 1.131 117 R CA 1.574 57.523 56.100 -0.253 0.000 0.955 117 R CB -0.886 29.309 30.300 -0.175 0.000 0.851 117 R HN 0.171 nan 8.270 nan 0.000 0.432 118 V N 1.230 120.868 119.914 -0.460 0.000 2.392 118 V HA -0.277 3.843 4.120 -0.001 0.000 0.249 118 V C 2.447 178.349 176.094 -0.320 0.000 1.059 118 V CA 2.016 64.034 62.300 -0.469 0.000 1.051 118 V CB -0.664 30.678 31.823 -0.802 0.000 0.658 118 V HN 0.431 nan 8.190 nan 0.000 0.455 119 A N -0.592 122.041 122.820 -0.312 0.000 1.933 119 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 119 A C 2.199 179.692 177.584 -0.151 0.000 1.175 119 A CA 1.623 53.525 52.037 -0.224 0.000 0.628 119 A CB -0.462 18.401 19.000 -0.229 0.000 0.814 119 A HN 0.507 nan 8.150 nan 0.000 0.444 120 L N -1.273 119.868 121.223 -0.137 0.000 2.083 120 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 120 L C 2.894 179.721 176.870 -0.072 0.000 1.083 120 L CA 0.963 55.748 54.840 -0.092 0.000 0.752 120 L CB -0.469 41.534 42.059 -0.094 0.000 0.899 120 L HN 0.279 nan 8.230 nan 0.000 0.433 121 R N 0.153 120.602 120.500 -0.085 0.000 2.073 121 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 121 R C 2.122 178.383 176.300 -0.064 0.000 1.134 121 R CA 1.097 57.162 56.100 -0.059 0.000 0.952 121 R CB -0.513 29.744 30.300 -0.071 0.000 0.850 121 R HN 0.373 nan 8.270 nan 0.000 0.433 122 E N 0.628 120.771 120.200 -0.095 0.000 2.077 122 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 122 E C 1.335 177.891 176.600 -0.073 0.000 0.989 122 E CA 0.928 57.276 56.400 -0.088 0.000 0.800 122 E CB 0.072 29.704 29.700 -0.114 0.000 0.746 122 E HN 0.130 nan 8.360 nan 0.000 0.452 123 K N 0.747 121.101 120.400 -0.077 0.000 2.476 123 K HA 0.045 4.365 4.320 -0.001 0.000 0.196 123 K C 0.022 176.589 176.600 -0.053 0.000 1.025 123 K CA -0.036 56.208 56.287 -0.072 0.000 1.138 123 K CB 0.166 32.616 32.500 -0.083 0.000 0.860 123 K HN 0.088 nan 8.250 nan 0.000 0.515 124 K N 0.127 120.503 120.400 -0.040 0.000 3.096 124 K HA -0.136 4.184 4.320 -0.001 0.000 0.266 124 K C -0.608 175.988 176.600 -0.007 0.000 1.043 124 K CA 0.166 56.443 56.287 -0.018 0.000 0.758 124 K CB -1.712 30.779 32.500 -0.016 0.000 1.260 124 K HN -0.083 nan 8.250 nan 0.000 0.481 125 V N 1.330 121.236 119.914 -0.014 0.000 2.435 125 V HA 0.265 4.385 4.120 -0.001 0.000 0.290 125 V C 0.408 176.508 176.094 0.009 0.000 1.030 125 V CA -0.901 61.392 62.300 -0.013 0.000 0.881 125 V CB 1.943 33.746 31.823 -0.034 0.000 0.983 125 V HN 0.093 nan 8.190 nan 0.000 0.445 126 V N 5.909 125.819 119.914 -0.007 0.000 2.488 126 V HA 0.214 4.333 4.120 -0.001 0.000 0.277 126 V C -0.590 175.500 176.094 -0.007 0.000 1.046 126 V CA -0.337 61.957 62.300 -0.008 0.000 0.986 126 V CB 0.844 32.645 31.823 -0.035 0.000 0.989 126 V HN 0.753 nan 8.190 nan 0.000 0.475 127 Y N 4.514 124.762 120.300 -0.086 0.000 2.328 127 Y HA 0.572 5.121 4.550 -0.000 0.000 0.333 127 Y C -0.218 175.651 175.900 -0.051 0.000 0.958 127 Y CA -1.071 56.981 58.100 -0.079 0.000 1.167 127 Y CB 1.317 39.748 38.460 -0.048 0.000 1.151 127 Y HN 0.585 nan 8.280 nan 0.000 0.470 128 E N 5.377 125.283 120.200 -0.490 0.000 2.129 128 E HA 0.129 4.478 4.350 -0.001 0.000 0.268 128 E C -0.908 175.358 176.600 -0.558 0.000 0.900 128 E CA -0.457 55.657 56.400 -0.477 0.000 0.755 128 E CB 1.161 30.736 29.700 -0.207 0.000 1.117 128 E HN 0.836 nan 8.360 nan 0.000 0.410 129 N N 2.328 120.670 118.700 -0.597 0.000 2.895 129 N HA 0.266 5.006 4.740 -0.001 0.000 0.277 129 N C -1.166 174.405 175.510 0.103 0.000 1.185 129 N CA -0.034 52.874 53.050 -0.236 0.000 1.106 129 N CB 0.137 38.536 38.487 -0.146 0.000 1.422 129 N HN 0.372 nan 8.380 nan 0.000 0.521 130 A N 2.621 125.536 122.820 0.157 0.000 2.594 130 A HA 0.237 4.557 4.320 -0.001 0.000 0.295 130 A C -1.760 175.907 177.584 0.139 0.000 1.071 130 A CA -0.632 51.507 52.037 0.170 0.000 0.685 130 A CB 0.812 19.851 19.000 0.065 0.000 1.285 130 A HN 0.595 nan 8.150 nan 0.000 0.405 131 Y N 1.258 121.430 120.300 -0.214 0.000 2.335 131 Y HA 0.488 5.038 4.550 -0.001 0.000 0.331 131 Y C 0.743 176.573 175.900 -0.117 0.000 1.094 131 Y CA 0.613 58.586 58.100 -0.211 0.000 1.253 131 Y CB 0.905 39.039 38.460 -0.543 0.000 1.203 131 Y HN 0.830 nan 8.280 nan 0.000 0.508 132 G N 5.013 113.710 108.800 -0.171 0.000 2.432 132 G HA2 0.573 4.533 3.960 -0.001 0.000 0.331 132 G HA3 0.573 4.533 3.960 -0.001 0.000 0.331 132 G C -1.940 172.928 174.900 -0.054 0.000 1.170 132 G CA -0.837 44.221 45.100 -0.071 0.000 0.943 132 G HN 0.740 nan 8.290 nan 0.000 0.483 133 Q N 0.264 120.025 119.800 -0.064 0.000 2.438 133 Q HA 0.411 4.751 4.340 -0.001 0.000 0.272 133 Q C -1.720 174.183 176.000 -0.161 0.000 0.994 133 Q CA -0.930 54.844 55.803 -0.048 0.000 0.887 133 Q CB 1.284 30.098 28.738 0.127 0.000 1.432 133 Q HN 0.329 nan 8.270 nan 0.000 0.392 134 F N 2.266 122.189 119.950 -0.045 0.000 2.471 134 F HA 0.236 4.763 4.527 -0.001 0.000 0.353 134 F C 1.384 177.161 175.800 -0.039 0.000 1.113 134 F CA 0.044 57.983 58.000 -0.102 0.000 1.262 134 F CB 0.803 39.699 39.000 -0.172 0.000 1.146 134 F HN 0.687 nan 8.300 nan 0.000 0.578 135 I N -1.079 119.598 120.570 0.179 0.000 4.624 135 I HA 0.625 4.794 4.170 -0.001 0.000 0.327 135 I C 0.586 176.771 176.117 0.113 0.000 1.295 135 I CA 0.116 61.484 61.300 0.114 0.000 1.267 135 I CB 0.654 38.703 38.000 0.082 0.000 1.249 135 I HN 0.535 nan 8.210 nan 0.000 0.440 136 G N 1.021 109.910 108.800 0.148 0.000 2.506 136 G HA2 0.460 4.420 3.960 -0.001 0.000 0.292 136 G HA3 0.460 4.420 3.960 -0.001 0.000 0.292 136 G C -3.285 171.718 174.900 0.170 0.000 1.425 136 G CA -1.052 44.124 45.100 0.128 0.000 0.788 136 G HN -0.230 nan 8.290 nan 0.000 0.490 137 P HA 0.095 nan 4.420 nan 0.000 0.263 137 P C 0.304 177.838 177.300 0.390 0.000 1.175 137 P CA 0.667 63.922 63.100 0.259 0.000 0.761 137 P CB 0.031 31.866 31.700 0.225 0.000 0.794 138 H N -0.302 118.953 119.070 0.308 0.000 3.284 138 H HA -0.226 4.330 4.556 -0.001 0.000 0.257 138 H C 0.085 175.736 175.328 0.538 0.000 1.091 138 H CA 1.087 57.418 56.048 0.472 0.000 1.190 138 H CB -0.645 29.269 29.762 0.252 0.000 1.268 138 H HN 0.536 nan 8.280 nan 0.000 0.322 139 R N 0.259 121.025 120.500 0.442 0.000 2.740 139 R HA 0.738 5.077 4.340 -0.001 0.000 0.282 139 R C -0.270 176.165 176.300 0.226 0.000 0.969 139 R CA -0.666 55.661 56.100 0.378 0.000 0.918 139 R CB 2.836 33.299 30.300 0.272 0.000 1.175 139 R HN 0.101 nan 8.270 nan 0.000 0.464 140 I N 1.177 121.876 120.570 0.215 0.000 2.802 140 I HA 0.382 4.552 4.170 -0.001 0.000 0.298 140 I C -1.384 174.792 176.117 0.097 0.000 1.176 140 I CA -0.875 60.444 61.300 0.032 0.000 1.025 140 I CB 2.337 40.242 38.000 -0.159 0.000 1.243 140 I HN 0.570 nan 8.210 nan 0.000 0.424 141 K N 5.432 125.853 120.400 0.035 0.000 2.138 141 K HA 0.803 5.122 4.320 -0.001 0.000 0.263 141 K C -1.238 175.404 176.600 0.071 0.000 0.965 141 K CA -0.464 55.851 56.287 0.046 0.000 0.868 141 K CB 1.769 34.282 32.500 0.021 0.000 1.083 141 K HN 0.669 nan 8.250 nan 0.000 0.443 142 A N 2.576 125.451 122.820 0.091 0.000 2.343 142 A HA 0.474 4.793 4.320 -0.001 0.000 0.308 142 A C -1.146 176.469 177.584 0.052 0.000 1.092 142 A CA -0.669 51.438 52.037 0.116 0.000 0.751 142 A CB 1.578 20.735 19.000 0.261 0.000 1.203 142 A HN 0.662 nan 8.150 nan 0.000 0.452 143 T N 2.952 117.514 114.554 0.013 0.000 2.792 143 T HA 0.452 4.802 4.350 -0.001 0.000 0.280 143 T C 0.382 175.018 174.700 -0.106 0.000 0.990 143 T CA -0.605 61.455 62.100 -0.066 0.000 0.960 143 T CB 0.992 69.770 68.868 -0.149 0.000 0.939 143 T HN 0.902 nan 8.240 nan 0.000 0.439 144 N N 2.256 120.928 118.700 -0.047 0.000 2.452 144 N HA 0.163 4.902 4.740 -0.001 0.000 0.296 144 N C 1.069 176.582 175.510 0.006 0.000 1.304 144 N CA -0.609 52.449 53.050 0.014 0.000 0.956 144 N CB 0.116 38.637 38.487 0.057 0.000 1.106 144 N HN 0.404 nan 8.380 nan 0.000 0.555 145 N N -1.159 117.641 118.700 0.166 0.000 2.244 145 N HA -0.134 4.606 4.740 -0.001 0.000 0.183 145 N C 0.819 176.377 175.510 0.081 0.000 1.016 145 N CA 1.170 54.342 53.050 0.203 0.000 0.866 145 N CB 0.005 38.628 38.487 0.228 0.000 0.980 145 N HN 0.580 nan 8.380 nan 0.000 0.430 146 K N -1.143 119.286 120.400 0.048 0.000 2.458 146 K HA 0.124 4.443 4.320 -0.001 0.000 0.194 146 K C 0.490 177.088 176.600 -0.005 0.000 1.024 146 K CA 0.473 56.774 56.287 0.022 0.000 1.108 146 K CB -0.067 32.447 32.500 0.024 0.000 0.846 146 K HN 0.370 nan 8.250 nan 0.000 0.518 147 G N 1.297 110.081 108.800 -0.027 0.000 2.253 147 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.251 147 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.251 147 G C -0.325 174.550 174.900 -0.041 0.000 0.998 147 G CA -0.086 44.984 45.100 -0.050 0.000 0.621 147 G HN 0.158 nan 8.290 nan 0.000 0.524 148 K N 2.445 122.831 120.400 -0.023 0.000 2.436 148 K HA 0.304 4.624 4.320 -0.001 0.000 0.282 148 K C 0.857 177.444 176.600 -0.022 0.000 1.044 148 K CA 0.542 56.819 56.287 -0.018 0.000 1.028 148 K CB 0.497 32.994 32.500 -0.004 0.000 0.919 148 K HN 0.851 nan 8.250 nan 0.000 0.474 149 E N 2.296 122.478 120.200 -0.031 0.000 2.264 149 E HA 0.588 4.937 4.350 -0.001 0.000 0.260 149 E C -0.553 176.012 176.600 -0.058 0.000 0.961 149 E CA -1.092 55.287 56.400 -0.035 0.000 0.834 149 E CB 2.049 31.725 29.700 -0.041 0.000 1.230 149 E HN 0.267 nan 8.360 nan 0.000 0.412 150 K N 0.455 120.800 120.400 -0.091 0.000 2.555 150 K HA 0.522 4.842 4.320 -0.001 0.000 0.279 150 K C -1.009 175.421 176.600 -0.284 0.000 0.986 150 K CA -0.710 55.439 56.287 -0.230 0.000 0.880 150 K CB 2.060 34.344 32.500 -0.361 0.000 1.474 150 K HN 0.429 nan 8.250 nan 0.000 0.433 151 I N 1.507 121.857 120.570 -0.367 0.000 2.646 151 I HA 0.483 4.653 4.170 -0.001 0.000 0.299 151 I C -1.207 174.718 176.117 -0.320 0.000 1.036 151 I CA -0.873 60.309 61.300 -0.197 0.000 1.074 151 I CB 1.443 39.413 38.000 -0.051 0.000 1.258 151 I HN 0.548 nan 8.210 nan 0.000 0.430 152 Y N 1.920 122.324 120.300 0.174 0.000 2.562 152 Y HA 0.440 4.990 4.550 -0.000 0.000 0.345 152 Y C 0.004 176.103 175.900 0.331 0.000 1.045 152 Y CA -0.757 57.489 58.100 0.244 0.000 1.028 152 Y CB 2.359 40.974 38.460 0.259 0.000 1.297 152 Y HN 0.573 nan 8.280 nan 0.000 0.463 153 S N 1.116 117.140 115.700 0.539 0.000 2.634 153 S HA 1.008 5.477 4.470 -0.001 0.000 0.296 153 S C -1.022 173.832 174.600 0.423 0.000 1.104 153 S CA -0.445 58.090 58.200 0.558 0.000 0.920 153 S CB 2.310 65.822 63.200 0.520 0.000 1.111 153 S HN 1.228 nan 8.310 nan 0.000 0.493 154 A N 0.331 123.297 122.820 0.244 0.000 2.612 154 A HA 0.650 4.969 4.320 -0.001 0.000 0.293 154 A C 0.373 177.679 177.584 -0.464 0.000 1.075 154 A CA -0.415 51.559 52.037 -0.105 0.000 0.680 154 A CB 0.857 19.611 19.000 -0.411 0.000 1.279 154 A HN 0.940 nan 8.150 nan 0.000 0.411 155 E N -0.025 119.851 120.200 -0.541 0.000 2.077 155 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 155 E C 0.264 176.830 176.600 -0.057 0.000 0.989 155 E CA 1.025 57.091 56.400 -0.556 0.000 0.800 155 E CB 0.100 29.748 29.700 -0.085 0.000 0.746 155 E HN 0.526 nan 8.360 nan 0.000 0.452 156 R N -0.876 119.623 120.500 -0.002 0.000 2.795 156 R HA 0.419 4.759 4.340 -0.001 0.000 0.275 156 R C -1.322 174.986 176.300 0.014 0.000 0.981 156 R CA -0.675 55.547 56.100 0.203 0.000 0.917 156 R CB 1.403 31.871 30.300 0.281 0.000 1.202 156 R HN -0.103 nan 8.270 nan 0.000 0.469 157 F N 1.156 121.238 119.950 0.220 0.000 2.561 157 F HA 0.539 5.066 4.527 -0.001 0.000 0.321 157 F C -0.528 175.393 175.800 0.201 0.000 1.065 157 F CA -1.067 57.063 58.000 0.218 0.000 0.934 157 F CB 1.725 40.956 39.000 0.385 0.000 1.215 157 F HN 0.199 nan 8.300 nan 0.000 0.471 158 L N 3.569 125.005 121.223 0.356 0.000 2.404 158 L HA 0.646 4.985 4.340 -0.001 0.000 0.272 158 L C -1.369 175.631 176.870 0.216 0.000 0.980 158 L CA -0.332 54.661 54.840 0.255 0.000 0.836 158 L CB 1.106 43.263 42.059 0.164 0.000 1.238 158 L HN 0.476 nan 8.230 nan 0.000 0.408 159 I N 5.407 126.091 120.570 0.191 0.000 2.325 159 I HA 0.626 4.795 4.170 -0.001 0.000 0.291 159 I C 0.450 176.623 176.117 0.094 0.000 1.019 159 I CA 0.121 61.508 61.300 0.144 0.000 1.302 159 I CB 1.644 39.726 38.000 0.136 0.000 1.401 159 I HN 0.831 nan 8.210 nan 0.000 0.485 160 A N 3.529 126.388 122.820 0.065 0.000 3.415 160 A HA 0.285 4.605 4.320 -0.001 0.000 0.244 160 A C 0.733 178.335 177.584 0.030 0.000 0.988 160 A CA -0.333 51.732 52.037 0.046 0.000 0.991 160 A CB -0.311 18.713 19.000 0.039 0.000 1.240 160 A HN 0.739 nan 8.150 nan 0.000 0.541 161 T N -2.780 111.792 114.554 0.031 0.000 3.100 161 T HA 0.436 4.786 4.350 -0.001 0.000 0.253 161 T C 1.407 176.130 174.700 0.039 0.000 1.118 161 T CA 1.118 63.230 62.100 0.020 0.000 1.058 161 T CB -0.161 68.713 68.868 0.010 0.000 0.953 161 T HN 2.124 nan 8.240 nan 0.000 0.515 162 G N 1.224 110.050 108.800 0.043 0.000 2.552 162 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.265 162 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.265 162 G C -0.623 174.315 174.900 0.063 0.000 1.234 162 G CA 0.096 45.228 45.100 0.052 0.000 0.944 162 G HN 0.682 nan 8.290 nan 0.000 0.568 163 E N -0.837 119.411 120.200 0.079 0.000 2.442 163 E HA 0.753 5.103 4.350 -0.001 0.000 0.271 163 E C -0.584 176.087 176.600 0.118 0.000 1.002 163 E CA -1.140 55.314 56.400 0.089 0.000 0.864 163 E CB 1.650 31.395 29.700 0.075 0.000 1.573 163 E HN 0.543 nan 8.360 nan 0.000 0.456 164 R N 0.267 120.841 120.500 0.124 0.000 2.680 164 R HA 0.405 4.744 4.340 -0.001 0.000 0.269 164 R C -2.878 173.499 176.300 0.129 0.000 1.026 164 R CA -2.309 53.883 56.100 0.154 0.000 0.889 164 R CB 0.945 31.353 30.300 0.179 0.000 1.241 164 R HN 0.313 nan 8.270 nan 0.000 0.463 165 P HA -0.022 nan 4.420 nan 0.000 0.263 165 P C -0.280 177.054 177.300 0.056 0.000 1.175 165 P CA 0.251 63.378 63.100 0.045 0.000 0.761 165 P CB 0.544 32.233 31.700 -0.018 0.000 0.794 166 R N 3.011 123.525 120.500 0.024 0.000 2.410 166 R HA 0.317 4.657 4.340 -0.001 0.000 0.288 166 R C -0.607 175.708 176.300 0.025 0.000 1.051 166 R CA -0.298 55.846 56.100 0.074 0.000 1.021 166 R CB 0.274 30.612 30.300 0.064 0.000 1.032 166 R HN 0.408 nan 8.270 nan 0.000 0.481 167 Y N 2.205 122.534 120.300 0.048 0.000 2.534 167 Y HA 0.189 4.739 4.550 -0.000 0.000 0.329 167 Y C 1.146 177.068 175.900 0.037 0.000 1.154 167 Y CA -0.539 57.585 58.100 0.040 0.000 1.192 167 Y CB 1.421 39.900 38.460 0.032 0.000 1.275 167 Y HN 0.487 nan 8.280 nan 0.000 0.491 168 L N 1.097 122.458 121.223 0.229 0.000 2.179 168 L HA 0.102 4.442 4.340 -0.001 0.000 0.208 168 L C 0.967 177.908 176.870 0.119 0.000 1.096 168 L CA 1.071 55.994 54.840 0.138 0.000 0.779 168 L CB -0.365 41.762 42.059 0.114 0.000 0.922 168 L HN 1.075 nan 8.230 nan 0.000 0.443 169 G N 1.724 110.600 108.800 0.126 0.000 2.326 169 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.286 169 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.286 169 G C -0.144 174.792 174.900 0.061 0.000 1.096 169 G CA 0.441 45.583 45.100 0.070 0.000 1.003 169 G HN 0.465 nan 8.290 nan 0.000 0.503 170 I N -3.377 117.237 120.570 0.072 0.000 2.769 170 I HA 0.740 4.910 4.170 -0.001 0.000 0.298 170 I C -2.531 173.627 176.117 0.067 0.000 1.128 170 I CA -3.414 57.927 61.300 0.069 0.000 1.031 170 I CB 2.093 40.141 38.000 0.081 0.000 1.235 170 I HN -0.106 nan 8.210 nan 0.000 0.423 171 P HA 0.061 nan 4.420 nan 0.000 0.261 171 P C 0.892 178.258 177.300 0.111 0.000 1.165 171 P CA 1.662 64.806 63.100 0.073 0.000 0.759 171 P CB 0.426 32.174 31.700 0.081 0.000 0.772 172 G N 3.153 112.000 108.800 0.079 0.000 2.234 172 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 172 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 172 G C 0.969 175.890 174.900 0.034 0.000 0.987 172 G CA 0.721 45.886 45.100 0.108 0.000 0.625 172 G HN 0.605 nan 8.290 nan 0.000 0.532 173 D N 1.031 121.472 120.400 0.069 0.000 2.088 173 D HA -0.089 4.550 4.640 -0.001 0.000 0.191 173 D C 1.978 178.370 176.300 0.152 0.000 0.992 173 D CA 1.752 55.849 54.000 0.162 0.000 0.831 173 D CB -0.666 40.294 40.800 0.267 0.000 0.973 173 D HN 0.465 nan 8.370 nan 0.000 0.447 174 K N -0.135 120.204 120.400 -0.101 0.000 2.442 174 K HA -0.054 4.265 4.320 -0.001 0.000 0.198 174 K C 1.912 178.395 176.600 -0.196 0.000 1.042 174 K CA 1.011 57.122 56.287 -0.294 0.000 0.958 174 K CB 0.047 32.228 32.500 -0.533 0.000 0.766 174 K HN 0.268 nan 8.250 nan 0.000 0.474 175 E N -0.531 119.473 120.200 -0.327 0.000 2.075 175 E HA -0.068 4.281 4.350 -0.001 0.000 0.190 175 E C 0.910 177.207 176.600 -0.506 0.000 0.969 175 E CA 1.056 57.115 56.400 -0.569 0.000 0.815 175 E CB 0.057 29.145 29.700 -1.021 0.000 0.776 175 E HN 0.322 nan 8.360 nan 0.000 0.457 176 Y N -1.122 119.225 120.300 0.079 0.000 2.430 176 Y HA 0.319 4.869 4.550 -0.001 0.000 0.248 176 Y C 0.436 176.394 175.900 0.097 0.000 1.108 176 Y CA -1.126 57.022 58.100 0.080 0.000 1.264 176 Y CB -0.034 38.463 38.460 0.062 0.000 1.172 176 Y HN -0.049 nan 8.280 nan 0.000 0.520 177 C N 2.670 122.103 119.300 0.222 0.000 2.398 177 C HA 0.657 5.116 4.460 -0.001 0.000 0.364 177 C C 0.621 175.702 174.990 0.151 0.000 1.219 177 C CA -1.269 57.853 59.018 0.173 0.000 2.312 177 C CB 0.138 27.973 27.740 0.158 0.000 2.428 177 C HN 0.374 nan 8.230 nan 0.000 0.564 178 I N 0.709 121.322 120.570 0.072 0.000 2.750 178 I HA 0.820 4.989 4.170 -0.001 0.000 0.308 178 I C 0.014 176.103 176.117 -0.046 0.000 1.016 178 I CA -0.001 61.324 61.300 0.041 0.000 1.098 178 I CB 1.901 39.906 38.000 0.008 0.000 1.279 178 I HN 0.689 nan 8.210 nan 0.000 0.454 179 S N 1.788 117.454 115.700 -0.056 0.000 2.806 179 S HA 0.364 4.834 4.470 -0.001 0.000 0.315 179 S C 1.045 175.587 174.600 -0.097 0.000 1.127 179 S CA 0.045 58.174 58.200 -0.118 0.000 0.918 179 S CB 1.253 64.359 63.200 -0.156 0.000 1.240 179 S HN 0.921 nan 8.310 nan 0.000 0.552 180 S N 0.337 115.983 115.700 -0.090 0.000 2.402 180 S HA -0.176 4.294 4.470 -0.001 0.000 0.233 180 S C 1.056 175.619 174.600 -0.061 0.000 1.030 180 S CA 1.680 59.800 58.200 -0.135 0.000 1.003 180 S CB -1.067 62.164 63.200 0.050 0.000 0.813 180 S HN 0.729 nan 8.310 nan 0.000 0.477 181 D N 1.938 122.375 120.400 0.061 0.000 2.182 181 D HA -0.063 4.576 4.640 -0.001 0.000 0.201 181 D C 1.524 177.920 176.300 0.160 0.000 0.986 181 D CA 1.306 55.395 54.000 0.150 0.000 0.847 181 D CB -0.290 40.747 40.800 0.394 0.000 0.942 181 D HN 0.593 nan 8.370 nan 0.000 0.467 182 D N -0.441 120.010 120.400 0.086 0.000 2.338 182 D HA -0.047 4.592 4.640 -0.001 0.000 0.224 182 D C 2.175 178.472 176.300 -0.005 0.000 0.967 182 D CA -0.143 53.906 54.000 0.081 0.000 0.896 182 D CB 0.004 40.849 40.800 0.074 0.000 1.028 182 D HN 0.063 nan 8.370 nan 0.000 0.493 183 L N 1.200 122.338 121.223 -0.142 0.000 2.051 183 L HA -0.202 4.138 4.340 -0.001 0.000 0.214 183 L C 1.770 178.591 176.870 -0.082 0.000 1.076 183 L CA 1.668 56.391 54.840 -0.195 0.000 0.758 183 L CB -1.025 40.770 42.059 -0.440 0.000 0.890 183 L HN -0.114 nan 8.230 nan 0.000 0.433 184 F N -0.625 119.399 119.950 0.124 0.000 2.546 184 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 184 F C 2.144 177.975 175.800 0.051 0.000 1.120 184 F CA 0.929 58.967 58.000 0.064 0.000 1.456 184 F CB -0.826 38.148 39.000 -0.043 0.000 1.088 184 F HN 0.268 nan 8.300 nan 0.000 0.572 185 S N -1.338 114.490 115.700 0.213 0.000 2.733 185 S HA 0.220 4.690 4.470 -0.001 0.000 0.247 185 S C 0.219 174.915 174.600 0.159 0.000 1.043 185 S CA -0.454 57.849 58.200 0.171 0.000 1.066 185 S CB -0.188 63.110 63.200 0.163 0.000 1.045 185 S HN 0.045 nan 8.310 nan 0.000 0.586 186 L N 5.388 126.706 121.223 0.159 0.000 2.737 186 L HA 0.088 4.428 4.340 -0.001 0.000 0.279 186 L C -1.518 175.394 176.870 0.071 0.000 1.200 186 L CA -0.730 54.102 54.840 -0.014 0.000 0.952 186 L CB 0.154 42.136 42.059 -0.128 0.000 1.240 186 L HN 0.014 nan 8.230 nan 0.000 0.486 187 P HA -0.035 nan 4.420 nan 0.000 0.245 187 P C -1.174 176.195 177.300 0.116 0.000 1.212 187 P CA 0.646 63.789 63.100 0.071 0.000 0.774 187 P CB -0.142 31.621 31.700 0.105 0.000 0.999 188 Y N -3.039 117.294 120.300 0.056 0.000 2.597 188 Y HA 0.493 5.043 4.550 -0.001 0.000 0.340 188 Y C -0.479 175.126 175.900 -0.491 0.000 1.097 188 Y CA -2.320 55.732 58.100 -0.080 0.000 1.037 188 Y CB 0.004 38.423 38.460 -0.067 0.000 1.305 188 Y HN -0.232 nan 8.280 nan 0.000 0.463 189 C N 5.288 124.378 119.300 -0.350 0.000 2.648 189 C HA 0.254 4.713 4.460 -0.001 0.000 0.419 189 C C -0.759 173.988 174.990 -0.405 0.000 1.352 189 C CA -1.161 57.401 59.018 -0.759 0.000 1.816 189 C CB 0.065 27.697 27.740 -0.180 0.000 2.598 189 C HN 0.789 nan 8.230 nan 0.000 0.598 190 P HA 0.101 nan 4.420 nan 0.000 0.220 190 P C 0.995 178.233 177.300 -0.103 0.000 1.148 190 P CA 2.012 64.956 63.100 -0.260 0.000 0.803 190 P CB -0.210 31.276 31.700 -0.357 0.000 0.782 191 G N 0.527 109.263 108.800 -0.107 0.000 2.601 191 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.252 191 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.252 191 G C -0.403 174.489 174.900 -0.013 0.000 1.294 191 G CA -0.034 45.045 45.100 -0.036 0.000 0.912 191 G HN 0.542 nan 8.290 nan 0.000 0.574 192 K N 0.467 120.878 120.400 0.019 0.000 2.491 192 K HA 0.393 4.713 4.320 -0.001 0.000 0.279 192 K C -0.133 176.524 176.600 0.095 0.000 1.026 192 K CA 1.264 57.591 56.287 0.067 0.000 1.070 192 K CB -0.171 32.377 32.500 0.079 0.000 0.887 192 K HN 0.615 nan 8.250 nan 0.000 0.481 193 T N 4.635 119.213 114.554 0.040 0.000 2.893 193 T HA 0.374 4.724 4.350 -0.001 0.000 0.291 193 T C -1.482 173.024 174.700 -0.324 0.000 1.028 193 T CA -0.787 61.255 62.100 -0.096 0.000 0.995 193 T CB 1.236 70.030 68.868 -0.124 0.000 1.051 193 T HN 0.433 nan 8.240 nan 0.000 0.470 194 L N 3.555 124.439 121.223 -0.565 0.000 2.313 194 L HA 0.754 5.094 4.340 -0.001 0.000 0.283 194 L C -1.214 175.417 176.870 -0.399 0.000 1.013 194 L CA -0.609 53.761 54.840 -0.784 0.000 0.816 194 L CB 1.309 42.571 42.059 -1.327 0.000 1.236 194 L HN 0.470 nan 8.230 nan 0.000 0.419 195 V N 5.934 125.658 119.914 -0.316 0.000 2.409 195 V HA 0.487 4.606 4.120 -0.001 0.000 0.291 195 V C -0.357 175.640 176.094 -0.161 0.000 1.020 195 V CA -0.747 61.425 62.300 -0.214 0.000 0.848 195 V CB 1.808 33.510 31.823 -0.201 0.000 0.990 195 V HN 0.509 nan 8.190 nan 0.000 0.430 196 V N 4.363 124.210 119.914 -0.112 0.000 2.407 196 V HA 0.954 5.074 4.120 -0.001 0.000 0.278 196 V C 0.655 176.734 176.094 -0.025 0.000 1.037 196 V CA 0.527 62.793 62.300 -0.057 0.000 0.900 196 V CB 0.712 32.513 31.823 -0.036 0.000 0.983 196 V HN 1.296 nan 8.190 nan 0.000 0.459 197 G N 3.732 112.538 108.800 0.009 0.000 2.406 197 G HA2 0.490 4.450 3.960 -0.001 0.000 0.680 197 G HA3 0.490 4.450 3.960 -0.001 0.000 0.680 197 G C -0.480 174.454 174.900 0.057 0.000 1.338 197 G CA -0.075 45.047 45.100 0.036 0.000 0.941 197 G HN 1.610 nan 8.290 nan 0.000 0.633 198 A N -0.166 122.703 122.820 0.081 0.000 3.106 198 A HA 0.865 5.185 4.320 -0.001 0.000 0.227 198 A C 0.304 177.943 177.584 0.092 0.000 0.920 198 A CA 1.346 53.443 52.037 0.101 0.000 1.088 198 A CB 0.249 19.320 19.000 0.119 0.000 1.233 198 A HN 2.132 nan 8.150 nan 0.000 0.503 199 S N -1.774 113.986 115.700 0.101 0.000 3.081 199 S HA 0.597 5.066 4.470 -0.001 0.000 0.316 199 S C 1.020 175.698 174.600 0.129 0.000 1.089 199 S CA -0.185 58.075 58.200 0.099 0.000 0.897 199 S CB 0.071 63.377 63.200 0.177 0.000 1.358 199 S HN 0.305 nan 8.310 nan 0.000 0.678 200 Y N 1.176 121.539 120.300 0.105 0.000 1.888 200 Y HA -0.268 4.282 4.550 -0.001 0.000 0.236 200 Y C 2.606 178.570 175.900 0.108 0.000 1.145 200 Y CA 2.563 60.723 58.100 0.100 0.000 1.055 200 Y CB -1.349 37.200 38.460 0.148 0.000 0.893 200 Y HN 0.317 nan 8.280 nan 0.000 0.506 201 V N -0.217 119.886 119.914 0.315 0.000 2.282 201 V HA -0.390 3.730 4.120 -0.001 0.000 0.249 201 V C 2.485 178.654 176.094 0.126 0.000 1.057 201 V CA 1.890 64.313 62.300 0.206 0.000 1.032 201 V CB -1.702 30.210 31.823 0.148 0.000 0.645 201 V HN 0.571 nan 8.190 nan 0.000 0.447 202 A N 0.160 123.037 122.820 0.094 0.000 1.859 202 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 202 A C 2.222 179.817 177.584 0.017 0.000 1.198 202 A CA 2.379 54.435 52.037 0.031 0.000 0.629 202 A CB -0.701 18.326 19.000 0.046 0.000 0.830 202 A HN 0.519 nan 8.150 nan 0.000 0.446 203 L N -1.093 120.172 121.223 0.070 0.000 2.093 203 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 203 L C 2.614 179.533 176.870 0.082 0.000 1.085 203 L CA 1.514 56.400 54.840 0.077 0.000 0.755 203 L CB -0.765 41.351 42.059 0.096 0.000 0.904 203 L HN 0.485 nan 8.230 nan 0.000 0.435 204 E N -0.220 120.063 120.200 0.137 0.000 2.051 204 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 204 E C 2.358 179.034 176.600 0.127 0.000 0.991 204 E CA 1.689 58.221 56.400 0.219 0.000 0.799 204 E CB -0.218 29.681 29.700 0.330 0.000 0.748 204 E HN 0.520 nan 8.360 nan 0.000 0.449 205 C N 0.821 120.077 119.300 -0.074 0.000 2.432 205 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 205 C C 2.949 177.478 174.990 -0.767 0.000 1.249 205 C CA 0.790 59.386 59.018 -0.704 0.000 1.725 205 C CB -1.003 26.536 27.740 -0.335 0.000 2.028 205 C HN 0.522 nan 8.230 nan 0.000 0.477 206 A N 0.933 123.552 122.820 -0.335 0.000 1.902 206 A HA 0.042 4.362 4.320 -0.001 0.000 0.217 206 A C 2.400 179.878 177.584 -0.177 0.000 1.181 206 A CA 2.154 54.041 52.037 -0.251 0.000 0.623 206 A CB -1.294 17.595 19.000 -0.185 0.000 0.818 206 A HN 0.555 nan 8.150 nan 0.000 0.443 207 G N -0.025 108.732 108.800 -0.073 0.000 2.446 207 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 207 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 207 G C 1.391 176.377 174.900 0.142 0.000 1.168 207 G CA 1.389 46.540 45.100 0.085 0.000 0.771 207 G HN 0.825 nan 8.290 nan 0.000 0.551 208 F N 0.316 120.356 119.950 0.149 0.000 2.367 208 F HA 0.342 4.868 4.527 -0.001 0.000 0.298 208 F C 2.147 178.013 175.800 0.110 0.000 1.094 208 F CA 0.160 58.246 58.000 0.144 0.000 1.409 208 F CB -0.522 38.587 39.000 0.181 0.000 1.064 208 F HN 0.039 nan 8.300 nan 0.000 0.528 209 L N 1.027 122.199 121.223 -0.085 0.000 2.056 209 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 209 L C 2.996 179.905 176.870 0.065 0.000 1.078 209 L CA 1.226 56.105 54.840 0.064 0.000 0.749 209 L CB -1.138 40.876 42.059 -0.074 0.000 0.901 209 L HN 0.326 nan 8.230 nan 0.000 0.433 210 A N 0.410 123.238 122.820 0.013 0.000 1.883 210 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 210 A C 2.388 180.010 177.584 0.064 0.000 1.186 210 A CA 1.930 53.985 52.037 0.031 0.000 0.624 210 A CB -1.454 17.560 19.000 0.022 0.000 0.822 210 A HN 0.456 nan 8.150 nan 0.000 0.444 211 G N 0.366 109.225 108.800 0.099 0.000 2.479 211 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.220 211 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.220 211 G C 1.269 176.187 174.900 0.029 0.000 1.115 211 G CA 1.105 46.255 45.100 0.084 0.000 0.757 211 G HN 0.875 nan 8.290 nan 0.000 0.560 212 I N -3.178 117.407 120.570 0.025 0.000 3.875 212 I HA 0.511 4.681 4.170 -0.001 0.000 0.329 212 I C 1.397 177.521 176.117 0.012 0.000 1.295 212 I CA 0.299 61.539 61.300 -0.099 0.000 1.129 212 I CB 0.126 37.960 38.000 -0.278 0.000 1.008 212 I HN 0.133 nan 8.210 nan 0.000 0.413 213 G N 1.661 110.490 108.800 0.048 0.000 2.163 213 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.213 213 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.213 213 G C -0.050 174.889 174.900 0.066 0.000 0.991 213 G CA -0.220 44.917 45.100 0.063 0.000 0.653 213 G HN 0.337 nan 8.290 nan 0.000 0.518 214 L N 1.001 122.264 121.223 0.066 0.000 2.379 214 L HA 0.496 4.835 4.340 -0.001 0.000 0.269 214 L C 0.537 177.417 176.870 0.017 0.000 1.084 214 L CA -0.987 53.880 54.840 0.045 0.000 0.802 214 L CB 0.854 42.936 42.059 0.039 0.000 1.175 214 L HN 0.160 nan 8.230 nan 0.000 0.448 215 D N 1.750 122.157 120.400 0.013 0.000 2.383 215 D HA 0.254 4.894 4.640 -0.001 0.000 0.252 215 D C -1.123 175.172 176.300 -0.008 0.000 1.166 215 D CA 0.075 54.079 54.000 0.007 0.000 0.879 215 D CB 1.194 42.007 40.800 0.021 0.000 1.164 215 D HN 0.140 nan 8.370 nan 0.000 0.462 216 V N 3.190 123.079 119.914 -0.042 0.000 2.841 216 V HA 0.451 4.571 4.120 -0.001 0.000 0.310 216 V C 0.008 176.013 176.094 -0.147 0.000 1.090 216 V CA -0.713 61.527 62.300 -0.101 0.000 0.930 216 V CB 2.456 34.205 31.823 -0.124 0.000 1.014 216 V HN 0.643 nan 8.190 nan 0.000 0.425 217 T N 2.468 116.895 114.554 -0.211 0.000 2.909 217 T HA 0.692 5.041 4.350 -0.001 0.000 0.299 217 T C -1.052 173.440 174.700 -0.345 0.000 1.073 217 T CA -0.533 61.415 62.100 -0.254 0.000 0.999 217 T CB 2.119 70.922 68.868 -0.108 0.000 1.098 217 T HN 0.383 nan 8.240 nan 0.000 0.477 218 V N 3.015 122.670 119.914 -0.432 0.000 2.487 218 V HA 0.549 4.669 4.120 -0.001 0.000 0.298 218 V C -0.381 175.613 176.094 -0.167 0.000 1.028 218 V CA -0.808 61.278 62.300 -0.357 0.000 0.860 218 V CB 1.769 33.258 31.823 -0.557 0.000 0.991 218 V HN 0.898 nan 8.190 nan 0.000 0.427 219 M N 5.793 125.342 119.600 -0.084 0.000 2.205 219 M HA 0.687 5.166 4.480 -0.001 0.000 0.344 219 M C -1.577 174.764 176.300 0.069 0.000 1.085 219 M CA -0.374 54.929 55.300 0.005 0.000 1.001 219 M CB 1.422 34.018 32.600 -0.006 0.000 1.626 219 M HN 0.464 nan 8.290 nan 0.000 0.442 220 V N 5.865 125.857 119.914 0.131 0.000 2.448 220 V HA 0.393 4.513 4.120 -0.001 0.000 0.295 220 V C 0.619 176.793 176.094 0.133 0.000 1.025 220 V CA -0.709 61.673 62.300 0.137 0.000 0.859 220 V CB 1.488 33.417 31.823 0.176 0.000 0.988 220 V HN 1.024 nan 8.190 nan 0.000 0.431 221 R N 3.020 123.582 120.500 0.103 0.000 2.055 221 R HA -0.074 4.266 4.340 -0.001 0.000 0.228 221 R C 1.744 178.088 176.300 0.073 0.000 1.143 221 R CA 2.162 58.315 56.100 0.088 0.000 0.945 221 R CB 0.094 30.435 30.300 0.068 0.000 0.841 221 R HN 0.886 nan 8.270 nan 0.000 0.429 222 S N -0.020 115.719 115.700 0.064 0.000 3.252 222 S HA 0.266 4.736 4.470 -0.001 0.000 0.175 222 S C 0.922 175.550 174.600 0.047 0.000 0.799 222 S CA -0.276 57.953 58.200 0.049 0.000 0.985 222 S CB -0.467 62.756 63.200 0.038 0.000 1.036 222 S HN 0.365 nan 8.310 nan 0.000 0.821 223 I N 0.129 120.724 120.570 0.041 0.000 2.924 223 I HA 0.616 4.786 4.170 -0.001 0.000 0.316 223 I C -0.869 175.273 176.117 0.042 0.000 1.014 223 I CA -1.411 59.907 61.300 0.030 0.000 1.106 223 I CB 0.873 38.889 38.000 0.026 0.000 1.311 223 I HN 0.340 nan 8.210 nan 0.000 0.502 224 L N 2.681 123.918 121.223 0.022 0.000 2.379 224 L HA 0.380 4.720 4.340 -0.001 0.000 0.269 224 L C -0.124 176.773 176.870 0.045 0.000 1.084 224 L CA -1.044 53.813 54.840 0.029 0.000 0.802 224 L CB 1.032 43.082 42.059 -0.015 0.000 1.175 224 L HN 0.613 nan 8.230 nan 0.000 0.448 225 L N 1.710 122.966 121.223 0.056 0.000 3.995 225 L HA -0.237 4.102 4.340 -0.001 0.000 0.513 225 L C 0.709 177.723 176.870 0.240 0.000 1.147 225 L CA 0.398 55.314 54.840 0.127 0.000 0.703 225 L CB -1.373 40.663 42.059 -0.038 0.000 1.306 225 L HN 0.657 nan 8.230 nan 0.000 0.779 226 R N 1.429 122.033 120.500 0.173 0.000 2.537 226 R HA 0.344 4.683 4.340 -0.001 0.000 0.280 226 R C 1.414 177.788 176.300 0.123 0.000 1.058 226 R CA 1.050 57.227 56.100 0.128 0.000 1.057 226 R CB 0.509 30.863 30.300 0.089 0.000 0.973 226 R HN 0.604 nan 8.270 nan 0.000 0.438 227 G N 3.545 112.381 108.800 0.061 0.000 2.349 227 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.213 227 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.213 227 G C -0.083 174.751 174.900 -0.110 0.000 1.044 227 G CA -0.130 44.935 45.100 -0.059 0.000 0.633 227 G HN 0.516 nan 8.290 nan 0.000 0.506 228 F N 2.396 122.375 119.950 0.050 0.000 2.403 228 F HA 0.457 4.983 4.527 -0.000 0.000 0.320 228 F C 1.031 176.867 175.800 0.060 0.000 1.176 228 F CA -0.088 57.968 58.000 0.095 0.000 1.206 228 F CB 0.428 39.506 39.000 0.129 0.000 1.235 228 F HN 0.068 nan 8.300 nan 0.000 0.565 229 D N 1.608 122.195 120.400 0.312 0.000 2.531 229 D HA -0.098 4.542 4.640 -0.001 0.000 0.239 229 D C 0.560 176.875 176.300 0.026 0.000 1.144 229 D CA 0.150 54.200 54.000 0.083 0.000 0.869 229 D CB 0.941 41.697 40.800 -0.074 0.000 1.160 229 D HN 0.479 nan 8.370 nan 0.000 0.484 230 Q N 2.868 122.662 119.800 -0.009 0.000 2.331 230 Q HA -0.098 4.241 4.340 -0.001 0.000 0.203 230 Q C 1.090 177.035 176.000 -0.091 0.000 0.944 230 Q CA 0.611 56.394 55.803 -0.034 0.000 0.892 230 Q CB 0.096 28.823 28.738 -0.018 0.000 0.983 230 Q HN 0.617 nan 8.270 nan 0.000 0.482 231 D N 0.138 120.471 120.400 -0.113 0.000 2.103 231 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 231 D C 1.734 177.900 176.300 -0.222 0.000 0.978 231 D CA 0.975 54.884 54.000 -0.151 0.000 0.829 231 D CB 0.266 40.991 40.800 -0.126 0.000 0.981 231 D HN 0.002 nan 8.370 nan 0.000 0.464 232 M N 0.533 119.978 119.600 -0.259 0.000 2.132 232 M HA 0.026 4.506 4.480 -0.001 0.000 0.263 232 M C 2.417 178.473 176.300 -0.407 0.000 1.065 232 M CA 1.197 56.245 55.300 -0.419 0.000 1.122 232 M CB -1.466 30.681 32.600 -0.754 0.000 1.365 232 M HN 0.101 nan 8.290 nan 0.000 0.411 233 A N 1.261 123.905 122.820 -0.292 0.000 1.883 233 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 233 A C 2.078 179.558 177.584 -0.175 0.000 1.186 233 A CA 1.889 53.803 52.037 -0.206 0.000 0.624 233 A CB -0.877 18.068 19.000 -0.091 0.000 0.822 233 A HN 0.522 nan 8.150 nan 0.000 0.444 234 N N 0.173 118.776 118.700 -0.160 0.000 2.069 234 N HA -0.172 4.568 4.740 -0.001 0.000 0.191 234 N C 1.650 177.064 175.510 -0.160 0.000 1.031 234 N CA 1.731 54.687 53.050 -0.155 0.000 0.852 234 N CB -0.376 38.028 38.487 -0.138 0.000 1.018 234 N HN 0.586 nan 8.380 nan 0.000 0.423 235 K N 0.839 121.136 120.400 -0.172 0.000 2.057 235 K HA -0.016 4.303 4.320 -0.001 0.000 0.207 235 K C 2.179 178.740 176.600 -0.065 0.000 1.049 235 K CA 0.787 56.996 56.287 -0.130 0.000 0.931 235 K CB -0.158 32.233 32.500 -0.182 0.000 0.714 235 K HN 0.214 nan 8.250 nan 0.000 0.440 236 I N 0.890 121.396 120.570 -0.107 0.000 2.286 236 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 236 I C 2.530 178.663 176.117 0.026 0.000 1.115 236 I CA 1.340 62.622 61.300 -0.030 0.000 1.392 236 I CB -0.915 37.037 38.000 -0.081 0.000 1.065 236 I HN 0.286 nan 8.210 nan 0.000 0.418 237 G N 0.730 109.477 108.800 -0.088 0.000 2.459 237 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 237 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 237 G C 1.520 176.310 174.900 -0.184 0.000 1.183 237 G CA 0.699 45.666 45.100 -0.222 0.000 0.776 237 G HN 0.398 nan 8.290 nan 0.000 0.552 238 E N -0.673 119.454 120.200 -0.121 0.000 2.110 238 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 238 E C 2.210 178.819 176.600 0.015 0.000 0.988 238 E CA 0.788 57.142 56.400 -0.076 0.000 0.804 238 E CB -0.229 29.432 29.700 -0.065 0.000 0.745 238 E HN 0.553 nan 8.360 nan 0.000 0.458 239 H N 0.496 119.594 119.070 0.047 0.000 2.357 239 H HA -0.071 4.485 4.556 -0.001 0.000 0.301 239 H C 1.972 177.474 175.328 0.290 0.000 1.082 239 H CA 1.459 57.614 56.048 0.177 0.000 1.342 239 H CB 0.072 29.896 29.762 0.105 0.000 1.389 239 H HN 0.179 nan 8.280 nan 0.000 0.511 240 M N 0.179 119.917 119.600 0.231 0.000 2.132 240 M HA -0.117 4.363 4.480 -0.001 0.000 0.263 240 M C 2.432 178.879 176.300 0.244 0.000 1.065 240 M CA 1.524 56.991 55.300 0.278 0.000 1.122 240 M CB -0.229 32.617 32.600 0.410 0.000 1.365 240 M HN 0.294 nan 8.290 nan 0.000 0.411 241 E N 0.992 121.339 120.200 0.244 0.000 2.051 241 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 241 E C 1.576 178.172 176.600 -0.005 0.000 0.991 241 E CA 1.274 57.792 56.400 0.196 0.000 0.799 241 E CB 0.093 29.837 29.700 0.073 0.000 0.748 241 E HN 0.492 nan 8.360 nan 0.000 0.449 242 E N -0.906 119.220 120.200 -0.123 0.000 2.409 242 E HA -0.132 4.218 4.350 -0.001 0.000 0.198 242 E C 0.112 176.316 176.600 -0.661 0.000 1.024 242 E CA 0.580 56.777 56.400 -0.338 0.000 0.861 242 E CB 0.069 29.552 29.700 -0.362 0.000 0.788 242 E HN 0.367 nan 8.360 nan 0.000 0.521 243 H N -1.530 117.428 119.070 -0.186 0.000 2.505 243 H HA 0.317 4.872 4.556 -0.001 0.000 0.260 243 H C 0.713 176.003 175.328 -0.063 0.000 1.232 243 H CA 0.171 56.124 56.048 -0.157 0.000 0.991 243 H CB 0.833 30.441 29.762 -0.257 0.000 1.729 243 H HN 0.225 nan 8.280 nan 0.000 0.561 244 G N 0.507 109.290 108.800 -0.029 0.000 3.400 244 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.209 244 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.209 244 G C 0.386 175.284 174.900 -0.004 0.000 1.411 244 G CA -0.233 44.864 45.100 -0.006 0.000 0.917 244 G HN 0.339 nan 8.290 nan 0.000 0.570 245 I N 3.213 123.786 120.570 0.005 0.000 3.015 245 I HA 0.022 4.192 4.170 -0.001 0.000 0.309 245 I C 0.773 176.832 176.117 -0.097 0.000 1.229 245 I CA 0.875 62.129 61.300 -0.077 0.000 1.430 245 I CB 0.191 38.146 38.000 -0.074 0.000 1.347 245 I HN 0.239 nan 8.210 nan 0.000 0.544 246 K N 7.161 127.450 120.400 -0.185 0.000 2.130 246 K HA 0.580 4.899 4.320 -0.001 0.000 0.268 246 K C -0.960 175.449 176.600 -0.320 0.000 0.983 246 K CA -0.488 55.735 56.287 -0.106 0.000 0.893 246 K CB 1.322 33.790 32.500 -0.054 0.000 1.066 246 K HN 0.233 nan 8.250 nan 0.000 0.450 247 F N 1.470 121.404 119.950 -0.026 0.000 2.522 247 F HA 0.487 5.014 4.527 -0.001 0.000 0.324 247 F C 0.148 175.926 175.800 -0.037 0.000 1.077 247 F CA -1.018 56.967 58.000 -0.026 0.000 0.944 247 F CB 1.444 40.435 39.000 -0.016 0.000 1.175 247 F HN 0.205 nan 8.300 nan 0.000 0.468 248 I N 3.777 124.411 120.570 0.107 0.000 2.410 248 I HA 0.390 4.560 4.170 -0.001 0.000 0.286 248 I C -0.688 175.496 176.117 0.111 0.000 1.009 248 I CA -0.817 60.484 61.300 0.002 0.000 1.111 248 I CB 1.078 38.999 38.000 -0.132 0.000 1.262 248 I HN 0.392 nan 8.210 nan 0.000 0.443 249 R N 4.631 125.226 120.500 0.159 0.000 2.474 249 R HA 0.433 4.773 4.340 -0.001 0.000 0.295 249 R C -0.165 176.342 176.300 0.343 0.000 0.980 249 R CA -0.767 55.463 56.100 0.217 0.000 0.934 249 R CB 1.180 31.567 30.300 0.144 0.000 1.101 249 R HN 0.539 nan 8.270 nan 0.000 0.469 250 Q N 0.104 120.050 119.800 0.244 0.000 2.487 250 Q HA -0.206 4.134 4.340 -0.001 0.000 0.279 250 Q C -1.297 174.809 176.000 0.176 0.000 1.228 250 Q CA 0.990 56.896 55.803 0.171 0.000 0.873 250 Q CB -1.396 27.391 28.738 0.082 0.000 1.260 250 Q HN 0.432 nan 8.270 nan 0.000 0.471 251 F N -1.527 118.446 119.950 0.039 0.000 2.611 251 F HA 0.811 5.338 4.527 -0.000 0.000 0.324 251 F C 0.106 175.928 175.800 0.036 0.000 1.061 251 F CA -1.096 56.926 58.000 0.037 0.000 0.954 251 F CB 1.821 40.846 39.000 0.041 0.000 1.301 251 F HN -0.219 nan 8.300 nan 0.000 0.482 252 V N 1.716 121.768 119.914 0.230 0.000 2.808 252 V HA 0.469 4.589 4.120 -0.001 0.000 0.308 252 V C -2.586 173.592 176.094 0.142 0.000 1.099 252 V CA -2.056 60.329 62.300 0.142 0.000 0.920 252 V CB 1.947 33.821 31.823 0.084 0.000 1.014 252 V HN 0.488 nan 8.190 nan 0.000 0.425 253 P HA 0.357 nan 4.420 nan 0.000 0.272 253 P C 0.353 177.710 177.300 0.094 0.000 1.223 253 P CA 0.045 63.209 63.100 0.107 0.000 0.784 253 P CB 1.317 33.069 31.700 0.086 0.000 0.923 254 I N -2.681 117.945 120.570 0.093 0.000 4.592 254 I HA 0.441 4.610 4.170 -0.001 0.000 0.329 254 I C 0.291 176.455 176.117 0.080 0.000 1.309 254 I CA 0.066 61.413 61.300 0.079 0.000 1.243 254 I CB 0.540 38.582 38.000 0.070 0.000 1.241 254 I HN 0.082 nan 8.210 nan 0.000 0.434 255 K N 2.085 122.539 120.400 0.089 0.000 2.571 255 K HA 0.502 4.821 4.320 -0.001 0.000 0.252 255 K C -2.025 174.642 176.600 0.110 0.000 0.956 255 K CA -0.301 56.043 56.287 0.094 0.000 0.822 255 K CB 3.484 36.031 32.500 0.077 0.000 1.286 255 K HN -0.052 nan 8.250 nan 0.000 0.439 256 V N 4.088 124.091 119.914 0.147 0.000 2.448 256 V HA 0.446 4.565 4.120 -0.001 0.000 0.295 256 V C -0.335 175.875 176.094 0.193 0.000 1.025 256 V CA -0.689 61.714 62.300 0.171 0.000 0.859 256 V CB 1.581 33.541 31.823 0.228 0.000 0.988 256 V HN 0.807 nan 8.190 nan 0.000 0.431 257 E N 3.417 123.640 120.200 0.037 0.000 2.317 257 E HA 0.506 4.856 4.350 -0.001 0.000 0.270 257 E C -0.834 175.561 176.600 -0.341 0.000 0.885 257 E CA -0.967 55.369 56.400 -0.107 0.000 0.760 257 E CB 2.225 31.906 29.700 -0.032 0.000 1.227 257 E HN 0.541 nan 8.360 nan 0.000 0.434 258 Q N 3.421 122.845 119.800 -0.627 0.000 2.553 258 Q HA 0.119 4.459 4.340 -0.001 0.000 0.221 258 Q C 0.402 176.245 176.000 -0.263 0.000 1.219 258 Q CA -0.433 55.035 55.803 -0.557 0.000 0.955 258 Q CB 0.309 28.563 28.738 -0.806 0.000 1.399 258 Q HN 0.685 nan 8.270 nan 0.000 0.551 259 I N 1.869 122.333 120.570 -0.177 0.000 2.502 259 I HA -0.192 3.978 4.170 -0.001 0.000 0.258 259 I C 0.646 176.700 176.117 -0.105 0.000 1.172 259 I CA 1.502 62.732 61.300 -0.116 0.000 1.430 259 I CB -0.852 37.093 38.000 -0.092 0.000 1.086 259 I HN 0.688 nan 8.210 nan 0.000 0.440 260 E N -0.337 119.791 120.200 -0.121 0.000 3.287 260 E HA 0.409 4.758 4.350 -0.001 0.000 0.355 260 E C -1.134 175.408 176.600 -0.096 0.000 1.027 260 E CA -0.316 56.028 56.400 -0.093 0.000 0.840 260 E CB 0.734 30.389 29.700 -0.076 0.000 1.273 260 E HN 0.018 nan 8.360 nan 0.000 0.458 261 A N 2.591 125.365 122.820 -0.076 0.000 2.386 261 A HA 0.849 5.169 4.320 -0.001 0.000 0.246 261 A C 0.712 178.243 177.584 -0.087 0.000 1.089 261 A CA 0.802 52.801 52.037 -0.064 0.000 0.790 261 A CB 0.646 19.632 19.000 -0.024 0.000 1.042 261 A HN 1.052 nan 8.150 nan 0.000 0.497 262 G N -1.359 107.367 108.800 -0.123 0.000 2.317 262 G HA2 0.527 4.487 3.960 -0.001 0.000 0.293 262 G HA3 0.527 4.487 3.960 -0.001 0.000 0.293 262 G C -0.611 174.079 174.900 -0.351 0.000 1.287 262 G CA 0.238 45.232 45.100 -0.177 0.000 0.850 262 G HN 1.684 nan 8.290 nan 0.000 0.515 263 T N -0.095 114.209 114.554 -0.418 0.000 3.305 263 T HA 0.674 5.024 4.350 -0.001 0.000 0.348 263 T C -2.437 171.910 174.700 -0.587 0.000 1.394 263 T CA -0.988 60.611 62.100 -0.836 0.000 1.549 263 T CB 1.550 70.150 68.868 -0.447 0.000 0.962 263 T HN 0.575 nan 8.240 nan 0.000 0.609 264 P HA 0.595 nan 4.420 nan 0.000 0.280 264 P C 0.459 177.580 177.300 -0.299 0.000 1.272 264 P CA -0.219 62.543 63.100 -0.564 0.000 0.819 264 P CB 1.399 32.970 31.700 -0.214 0.000 1.122 265 G N 0.766 109.433 108.800 -0.221 0.000 2.782 265 G HA2 0.561 4.521 3.960 -0.001 0.000 0.201 265 G HA3 0.561 4.521 3.960 -0.001 0.000 0.201 265 G C -0.750 174.094 174.900 -0.094 0.000 1.374 265 G CA -0.769 44.247 45.100 -0.139 0.000 1.039 265 G HN 0.450 nan 8.290 nan 0.000 0.576 266 R N -1.223 119.225 120.500 -0.086 0.000 2.621 266 R HA 0.631 4.970 4.340 -0.001 0.000 0.292 266 R C -1.031 175.221 176.300 -0.079 0.000 0.969 266 R CA -0.442 55.615 56.100 -0.071 0.000 0.887 266 R CB 2.197 32.452 30.300 -0.076 0.000 1.180 266 R HN 0.271 nan 8.270 nan 0.000 0.450 267 L N 1.711 122.908 121.223 -0.042 0.000 2.354 267 L HA 0.643 4.982 4.340 -0.001 0.000 0.264 267 L C -0.497 176.365 176.870 -0.013 0.000 1.008 267 L CA -1.009 53.807 54.840 -0.040 0.000 0.819 267 L CB 2.410 44.483 42.059 0.024 0.000 1.339 267 L HN 0.462 nan 8.230 nan 0.000 0.420 268 R N 1.406 121.894 120.500 -0.021 0.000 2.534 268 R HA 0.750 5.090 4.340 -0.001 0.000 0.301 268 R C -1.805 174.524 176.300 0.050 0.000 0.961 268 R CA -0.469 55.628 56.100 -0.005 0.000 0.871 268 R CB 1.968 32.249 30.300 -0.032 0.000 1.170 268 R HN 0.438 nan 8.270 nan 0.000 0.446 269 V N 4.625 124.595 119.914 0.093 0.000 2.555 269 V HA 0.495 4.614 4.120 -0.001 0.000 0.302 269 V C -0.521 175.632 176.094 0.097 0.000 1.038 269 V CA -0.792 61.583 62.300 0.124 0.000 0.887 269 V CB 1.922 33.866 31.823 0.201 0.000 0.991 269 V HN 0.527 nan 8.190 nan 0.000 0.434 270 V N 3.137 123.107 119.914 0.094 0.000 2.540 270 V HA 0.932 5.052 4.120 -0.001 0.000 0.302 270 V C 0.125 176.288 176.094 0.115 0.000 1.035 270 V CA -0.255 62.099 62.300 0.091 0.000 0.873 270 V CB 1.640 33.507 31.823 0.073 0.000 0.992 270 V HN 1.107 nan 8.190 nan 0.000 0.428 271 A N 4.085 126.995 122.820 0.151 0.000 2.527 271 A HA 0.931 5.251 4.320 -0.001 0.000 0.293 271 A C -1.057 176.707 177.584 0.299 0.000 1.117 271 A CA -0.698 51.468 52.037 0.215 0.000 0.723 271 A CB 2.207 21.352 19.000 0.243 0.000 1.313 271 A HN 0.824 nan 8.150 nan 0.000 0.411 272 Q N 0.606 120.552 119.800 0.243 0.000 2.347 272 Q HA 0.592 4.932 4.340 -0.001 0.000 0.271 272 Q C -0.309 175.533 176.000 -0.265 0.000 1.064 272 Q CA -0.382 55.461 55.803 0.066 0.000 0.800 272 Q CB 1.916 30.664 28.738 0.017 0.000 1.304 272 Q HN 1.092 nan 8.270 nan 0.000 0.438 273 S N 1.731 116.985 115.700 -0.744 0.000 2.554 273 S HA -0.023 4.446 4.470 -0.001 0.000 0.290 273 S C 0.427 174.783 174.600 -0.406 0.000 1.309 273 S CA 0.692 58.301 58.200 -0.986 0.000 1.047 273 S CB 0.529 63.272 63.200 -0.761 0.000 0.828 273 S HN 0.760 nan 8.310 nan 0.000 0.509 274 T N 2.919 117.284 114.554 -0.315 0.000 3.107 274 T HA 0.114 4.464 4.350 -0.001 0.000 0.249 274 T C 0.676 175.310 174.700 -0.110 0.000 1.096 274 T CA 0.623 62.638 62.100 -0.142 0.000 1.012 274 T CB -0.411 68.412 68.868 -0.075 0.000 0.977 274 T HN 0.862 nan 8.240 nan 0.000 0.527 275 N N 0.189 118.804 118.700 -0.141 0.000 2.217 275 N HA 0.152 4.892 4.740 -0.001 0.000 0.239 275 N C -0.149 175.306 175.510 -0.093 0.000 1.330 275 N CA -0.367 52.629 53.050 -0.091 0.000 0.838 275 N CB 0.588 39.035 38.487 -0.066 0.000 1.287 275 N HN 0.213 nan 8.380 nan 0.000 0.498 276 S N -0.847 114.777 115.700 -0.126 0.000 2.727 276 S HA 0.360 4.829 4.470 -0.001 0.000 0.278 276 S C -0.692 173.848 174.600 -0.100 0.000 1.186 276 S CA -0.815 57.326 58.200 -0.098 0.000 0.836 276 S CB 0.956 64.100 63.200 -0.092 0.000 1.186 276 S HN 0.044 nan 8.310 nan 0.000 0.499 277 E N 0.176 120.338 120.200 -0.064 0.000 2.465 277 E HA 0.175 4.525 4.350 -0.001 0.000 0.195 277 E C -0.041 176.537 176.600 -0.037 0.000 1.028 277 E CA -0.163 56.209 56.400 -0.046 0.000 0.899 277 E CB 0.255 29.942 29.700 -0.022 0.000 1.032 277 E HN 0.648 nan 8.360 nan 0.000 0.468 278 E N 1.512 121.676 120.200 -0.059 0.000 2.413 278 E HA 0.141 4.490 4.350 -0.001 0.000 0.263 278 E C -0.618 176.009 176.600 0.044 0.000 1.015 278 E CA 0.293 56.693 56.400 0.001 0.000 0.916 278 E CB 0.604 30.315 29.700 0.018 0.000 0.947 278 E HN 0.078 nan 8.360 nan 0.000 0.440 279 I N 5.937 126.580 120.570 0.121 0.000 2.582 279 I HA 0.372 4.542 4.170 -0.001 0.000 0.292 279 I C -0.165 176.066 176.117 0.189 0.000 1.066 279 I CA -0.803 60.594 61.300 0.161 0.000 1.053 279 I CB 1.539 39.593 38.000 0.089 0.000 1.241 279 I HN 0.501 nan 8.210 nan 0.000 0.421 280 I N 2.698 123.404 120.570 0.225 0.000 3.239 280 I HA 0.769 4.939 4.170 -0.001 0.000 0.314 280 I C -1.127 175.032 176.117 0.071 0.000 1.126 280 I CA -0.624 60.746 61.300 0.117 0.000 0.973 280 I CB 2.436 40.454 38.000 0.029 0.000 1.252 280 I HN 0.665 nan 8.210 nan 0.000 0.463 281 E N 1.221 121.433 120.200 0.019 0.000 2.390 281 E HA 0.793 5.143 4.350 -0.001 0.000 0.277 281 E C -1.363 175.214 176.600 -0.038 0.000 0.939 281 E CA -1.038 55.368 56.400 0.010 0.000 0.769 281 E CB 2.417 32.121 29.700 0.006 0.000 1.251 281 E HN 1.052 nan 8.360 nan 0.000 0.450 282 G N 0.848 109.618 108.800 -0.050 0.000 2.704 282 G HA2 0.416 4.376 3.960 -0.001 0.000 0.293 282 G HA3 0.416 4.376 3.960 -0.001 0.000 0.293 282 G C -1.751 172.961 174.900 -0.313 0.000 1.421 282 G CA -0.783 44.194 45.100 -0.206 0.000 0.870 282 G HN 0.590 nan 8.290 nan 0.000 0.492 283 E N -0.340 119.558 120.200 -0.504 0.000 2.166 283 E HA 0.683 5.033 4.350 -0.001 0.000 0.275 283 E C -1.523 174.669 176.600 -0.680 0.000 0.941 283 E CA -0.666 55.490 56.400 -0.407 0.000 0.784 283 E CB 1.252 30.803 29.700 -0.250 0.000 1.115 283 E HN 0.459 nan 8.360 nan 0.000 0.399 284 Y N 2.234 122.505 120.300 -0.049 0.000 2.562 284 Y HA 0.281 4.830 4.550 -0.001 0.000 0.345 284 Y C 0.785 176.656 175.900 -0.049 0.000 1.045 284 Y CA -1.043 57.028 58.100 -0.049 0.000 1.028 284 Y CB 1.742 40.174 38.460 -0.045 0.000 1.297 284 Y HN 0.506 nan 8.280 nan 0.000 0.463 285 N N -0.070 118.706 118.700 0.127 0.000 2.333 285 N HA 0.037 4.776 4.740 -0.001 0.000 0.178 285 N C -0.262 175.282 175.510 0.057 0.000 1.018 285 N CA 0.975 54.051 53.050 0.044 0.000 0.882 285 N CB 0.373 38.865 38.487 0.008 0.000 0.984 285 N HN 0.557 nan 8.380 nan 0.000 0.434 286 T N 0.155 114.749 114.554 0.066 0.000 2.909 286 T HA 0.512 4.862 4.350 -0.001 0.000 0.299 286 T C -0.856 173.833 174.700 -0.018 0.000 1.073 286 T CA -0.523 61.598 62.100 0.036 0.000 0.999 286 T CB 3.039 71.906 68.868 -0.001 0.000 1.098 286 T HN -0.346 nan 8.240 nan 0.000 0.477 287 V N 3.197 123.101 119.914 -0.016 0.000 2.447 287 V HA 0.479 4.599 4.120 -0.001 0.000 0.292 287 V C -0.484 175.577 176.094 -0.055 0.000 1.021 287 V CA -0.675 61.584 62.300 -0.069 0.000 0.850 287 V CB 1.597 33.420 31.823 0.000 0.000 1.005 287 V HN 0.870 nan 8.190 nan 0.000 0.426 288 M N 5.869 125.403 119.600 -0.109 0.000 2.180 288 M HA 0.583 5.063 4.480 -0.001 0.000 0.350 288 M C -1.466 174.767 176.300 -0.112 0.000 1.125 288 M CA -0.557 54.677 55.300 -0.109 0.000 1.031 288 M CB 1.258 33.774 32.600 -0.140 0.000 1.623 288 M HN 0.518 nan 8.290 nan 0.000 0.451 289 L N 4.678 125.829 121.223 -0.121 0.000 2.275 289 L HA 0.629 4.969 4.340 -0.001 0.000 0.288 289 L C -0.081 176.714 176.870 -0.125 0.000 1.046 289 L CA -0.540 54.223 54.840 -0.129 0.000 0.805 289 L CB 1.572 43.512 42.059 -0.199 0.000 1.193 289 L HN 0.887 nan 8.230 nan 0.000 0.426 290 A N 4.452 127.228 122.820 -0.072 0.000 3.409 290 A HA 0.447 4.767 4.320 -0.001 0.000 0.282 290 A C -0.020 177.567 177.584 0.006 0.000 1.064 290 A CA -0.319 51.700 52.037 -0.030 0.000 0.889 290 A CB -0.111 18.882 19.000 -0.013 0.000 1.251 290 A HN 0.702 nan 8.150 nan 0.000 0.538 291 I N -2.901 117.667 120.570 -0.003 0.000 3.936 291 I HA 0.677 4.847 4.170 -0.001 0.000 0.330 291 I C 0.579 176.724 176.117 0.046 0.000 1.509 291 I CA -0.164 61.153 61.300 0.028 0.000 1.126 291 I CB 0.279 38.291 38.000 0.020 0.000 1.115 291 I HN 0.816 nan 8.210 nan 0.000 0.424 292 G N 0.591 109.421 108.800 0.050 0.000 2.353 292 G HA2 0.240 4.200 3.960 -0.001 0.000 0.424 292 G HA3 0.240 4.200 3.960 -0.001 0.000 0.424 292 G C -1.329 173.606 174.900 0.059 0.000 1.320 292 G CA -1.228 43.913 45.100 0.068 0.000 0.995 292 G HN 0.269 nan 8.290 nan 0.000 0.580 293 R N -0.272 120.271 120.500 0.071 0.000 2.725 293 R HA 0.525 4.865 4.340 -0.001 0.000 0.277 293 R C -1.759 174.586 176.300 0.075 0.000 0.987 293 R CA -0.993 55.151 56.100 0.073 0.000 0.901 293 R CB 2.251 32.596 30.300 0.074 0.000 1.207 293 R HN 0.478 nan 8.270 nan 0.000 0.463 294 D N 1.496 121.946 120.400 0.084 0.000 2.256 294 D HA 0.246 4.886 4.640 -0.001 0.000 0.240 294 D C -0.345 176.001 176.300 0.077 0.000 1.062 294 D CA -0.283 53.764 54.000 0.079 0.000 0.832 294 D CB 1.946 42.800 40.800 0.089 0.000 1.135 294 D HN 0.607 nan 8.370 nan 0.000 0.484 295 A N 1.906 124.764 122.820 0.063 0.000 2.567 295 A HA 0.001 4.321 4.320 -0.001 0.000 0.240 295 A C 0.572 178.195 177.584 0.066 0.000 1.053 295 A CA -0.005 52.067 52.037 0.058 0.000 0.755 295 A CB -0.075 18.951 19.000 0.044 0.000 0.978 295 A HN 0.721 nan 8.150 nan 0.000 0.507 296 C N 3.537 122.878 119.300 0.069 0.000 2.861 296 C HA 0.346 4.806 4.460 -0.001 0.000 0.542 296 C C 1.810 176.840 174.990 0.065 0.000 1.074 296 C CA 0.319 59.383 59.018 0.076 0.000 1.232 296 C CB -2.109 25.679 27.740 0.079 0.000 1.433 296 C HN 0.941 nan 8.230 nan 0.000 0.606 297 T N -2.524 112.068 114.554 0.063 0.000 2.975 297 T HA 0.071 4.421 4.350 -0.001 0.000 0.257 297 T C 1.806 176.542 174.700 0.061 0.000 1.003 297 T CA -0.115 62.019 62.100 0.057 0.000 0.932 297 T CB 0.013 68.905 68.868 0.040 0.000 1.087 297 T HN 0.398 nan 8.240 nan 0.000 0.512 298 R N 2.447 122.987 120.500 0.066 0.000 2.090 298 R HA 0.149 4.488 4.340 -0.001 0.000 0.228 298 R C 0.808 177.151 176.300 0.072 0.000 1.110 298 R CA 0.842 56.978 56.100 0.060 0.000 0.973 298 R CB -0.262 30.072 30.300 0.056 0.000 0.869 298 R HN 0.465 nan 8.270 nan 0.000 0.440 299 K N 1.510 121.972 120.400 0.103 0.000 3.045 299 K HA 0.273 4.593 4.320 -0.001 0.000 0.214 299 K C 0.763 177.475 176.600 0.187 0.000 1.213 299 K CA -0.024 56.337 56.287 0.123 0.000 1.111 299 K CB 0.360 32.933 32.500 0.122 0.000 1.454 299 K HN 0.218 nan 8.250 nan 0.000 0.498 300 I N -3.663 116.997 120.570 0.150 0.000 4.102 300 I HA 0.325 4.494 4.170 -0.001 0.000 0.325 300 I C 0.541 176.767 176.117 0.180 0.000 1.471 300 I CA -0.542 60.855 61.300 0.162 0.000 1.133 300 I CB 0.738 38.812 38.000 0.124 0.000 1.184 300 I HN 0.280 nan 8.210 nan 0.000 0.451 301 G N 2.503 111.387 108.800 0.140 0.000 2.225 301 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.264 301 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.264 301 G C 0.554 175.526 174.900 0.120 0.000 1.060 301 G CA 0.466 45.644 45.100 0.129 0.000 0.833 301 G HN 0.464 nan 8.290 nan 0.000 0.498 302 L N -0.660 120.607 121.223 0.074 0.000 2.265 302 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 302 L C 2.731 179.564 176.870 -0.062 0.000 1.117 302 L CA 1.993 56.822 54.840 -0.019 0.000 0.782 302 L CB -0.282 41.765 42.059 -0.020 0.000 0.914 302 L HN 0.521 nan 8.230 nan 0.000 0.441 303 E N -0.887 119.301 120.200 -0.020 0.000 2.107 303 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 303 E C 1.994 178.578 176.600 -0.027 0.000 0.982 303 E CA 1.451 57.837 56.400 -0.025 0.000 0.809 303 E CB -1.110 28.587 29.700 -0.006 0.000 0.756 303 E HN 0.399 nan 8.360 nan 0.000 0.459 304 T N -1.622 112.929 114.554 -0.005 0.000 3.025 304 T HA -0.035 4.315 4.350 -0.001 0.000 0.270 304 T C 1.544 176.229 174.700 -0.025 0.000 1.126 304 T CA 0.992 63.097 62.100 0.008 0.000 1.105 304 T CB -0.064 68.834 68.868 0.050 0.000 0.884 304 T HN 0.109 nan 8.240 nan 0.000 0.522 305 V N -0.617 119.232 119.914 -0.109 0.000 3.398 305 V HA 0.569 4.689 4.120 -0.001 0.000 0.298 305 V C 1.456 177.437 176.094 -0.188 0.000 1.496 305 V CA 0.580 62.768 62.300 -0.187 0.000 1.044 305 V CB -0.030 31.512 31.823 -0.469 0.000 0.880 305 V HN 0.762 nan 8.190 nan 0.000 0.443 306 G N 0.722 109.435 108.800 -0.145 0.000 2.143 306 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.249 306 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.249 306 G C 0.213 175.024 174.900 -0.148 0.000 0.981 306 G CA 0.271 45.300 45.100 -0.118 0.000 0.665 306 G HN 0.669 nan 8.290 nan 0.000 0.528 307 V N 1.538 121.329 119.914 -0.204 0.000 2.479 307 V HA 0.301 4.421 4.120 -0.001 0.000 0.281 307 V C 1.011 177.034 176.094 -0.119 0.000 1.031 307 V CA 0.569 62.751 62.300 -0.197 0.000 1.038 307 V CB 1.348 33.019 31.823 -0.254 0.000 0.981 307 V HN 0.473 nan 8.190 nan 0.000 0.478 308 K N 6.826 127.166 120.400 -0.099 0.000 2.205 308 K HA 0.616 4.936 4.320 -0.001 0.000 0.279 308 K C -0.318 176.248 176.600 -0.056 0.000 1.027 308 K CA -0.496 55.751 56.287 -0.067 0.000 0.932 308 K CB 0.972 33.437 32.500 -0.058 0.000 1.032 308 K HN 0.751 nan 8.250 nan 0.000 0.466 309 I N 0.025 120.571 120.570 -0.039 0.000 3.445 309 I HA 0.449 4.619 4.170 -0.001 0.000 0.303 309 I C -1.096 175.009 176.117 -0.021 0.000 1.129 309 I CA -1.179 60.103 61.300 -0.028 0.000 0.989 309 I CB 1.927 39.916 38.000 -0.018 0.000 1.314 309 I HN 0.527 nan 8.210 nan 0.000 0.488 310 N N 2.193 120.884 118.700 -0.014 0.000 2.500 310 N HA 0.123 4.862 4.740 -0.001 0.000 0.236 310 N C 0.533 176.042 175.510 -0.002 0.000 1.022 310 N CA -0.087 52.957 53.050 -0.010 0.000 0.935 310 N CB 0.883 39.364 38.487 -0.010 0.000 1.147 310 N HN 0.597 nan 8.380 nan 0.000 0.512 311 E N 3.038 123.237 120.200 -0.002 0.000 2.130 311 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 311 E C 0.960 177.565 176.600 0.008 0.000 0.998 311 E CA 1.308 57.710 56.400 0.003 0.000 0.806 311 E CB 0.287 29.988 29.700 0.001 0.000 0.738 311 E HN 0.648 nan 8.360 nan 0.000 0.459 312 K N -0.201 120.203 120.400 0.007 0.000 1.973 312 K HA -0.094 4.226 4.320 -0.001 0.000 0.210 312 K C 2.401 179.010 176.600 0.016 0.000 1.045 312 K CA 1.962 58.256 56.287 0.011 0.000 0.937 312 K CB -0.201 32.304 32.500 0.008 0.000 0.721 312 K HN 0.234 nan 8.250 nan 0.000 0.438 313 T N -3.430 111.133 114.554 0.014 0.000 2.978 313 T HA 0.110 4.459 4.350 -0.001 0.000 0.262 313 T C 1.538 176.251 174.700 0.022 0.000 1.063 313 T CA 0.998 63.109 62.100 0.018 0.000 1.140 313 T CB 0.275 69.150 68.868 0.012 0.000 0.886 313 T HN 0.419 nan 8.240 nan 0.000 0.470 314 G N 1.286 110.097 108.800 0.017 0.000 2.194 314 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.236 314 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.236 314 G C 0.071 174.979 174.900 0.014 0.000 0.987 314 G CA -0.081 45.031 45.100 0.020 0.000 0.635 314 G HN 0.593 nan 8.290 nan 0.000 0.520 315 K N 0.838 121.243 120.400 0.007 0.000 2.339 315 K HA 0.387 4.706 4.320 -0.001 0.000 0.286 315 K C 0.791 177.384 176.600 -0.012 0.000 1.050 315 K CA -0.388 55.898 56.287 -0.001 0.000 0.956 315 K CB 1.060 33.555 32.500 -0.009 0.000 0.990 315 K HN 0.379 nan 8.250 nan 0.000 0.475 316 I N 6.214 126.776 120.570 -0.013 0.000 2.505 316 I HA 0.011 4.181 4.170 -0.001 0.000 0.287 316 I C -1.935 174.160 176.117 -0.036 0.000 1.104 316 I CA -1.704 59.581 61.300 -0.024 0.000 1.387 316 I CB 0.392 38.381 38.000 -0.019 0.000 1.404 316 I HN 0.197 nan 8.210 nan 0.000 0.528 317 P HA 0.273 nan 4.420 nan 0.000 0.274 317 P C -0.769 176.502 177.300 -0.048 0.000 1.231 317 P CA -0.154 62.918 63.100 -0.046 0.000 0.790 317 P CB 1.405 33.080 31.700 -0.042 0.000 0.951 318 V N 0.658 120.545 119.914 -0.045 0.000 3.216 318 V HA 0.536 4.656 4.120 -0.001 0.000 0.302 318 V C -0.430 175.657 176.094 -0.013 0.000 1.286 318 V CA -0.467 61.815 62.300 -0.030 0.000 1.048 318 V CB 2.168 33.985 31.823 -0.011 0.000 1.081 318 V HN 0.750 nan 8.190 nan 0.000 0.442 319 T N -0.029 114.531 114.554 0.010 0.000 2.788 319 T HA 0.256 4.606 4.350 -0.001 0.000 0.280 319 T C 0.553 175.289 174.700 0.060 0.000 0.984 319 T CA 0.446 62.563 62.100 0.028 0.000 0.972 319 T CB 0.794 69.682 68.868 0.034 0.000 1.039 319 T HN 0.975 nan 8.240 nan 0.000 0.530 320 D N -0.697 119.742 120.400 0.065 0.000 2.396 320 D HA 0.008 4.647 4.640 -0.001 0.000 0.255 320 D C 0.601 176.968 176.300 0.112 0.000 1.224 320 D CA 0.155 54.215 54.000 0.100 0.000 0.894 320 D CB -0.362 40.489 40.800 0.085 0.000 0.939 320 D HN 0.825 nan 8.370 nan 0.000 0.506 321 E N -0.434 119.837 120.200 0.117 0.000 2.789 321 E HA 0.047 4.396 4.350 -0.001 0.000 0.217 321 E C -0.388 176.315 176.600 0.173 0.000 0.970 321 E CA -0.220 56.250 56.400 0.118 0.000 1.201 321 E CB 0.542 30.309 29.700 0.111 0.000 1.069 321 E HN -0.001 nan 8.360 nan 0.000 0.499 322 E N 0.783 121.093 120.200 0.182 0.000 3.181 322 E HA -0.211 4.139 4.350 -0.001 0.000 0.293 322 E C -0.246 176.546 176.600 0.320 0.000 0.936 322 E CA 0.731 57.257 56.400 0.211 0.000 0.975 322 E CB -1.480 28.334 29.700 0.190 0.000 1.496 322 E HN 0.308 nan 8.360 nan 0.000 0.429 323 Q N 0.809 120.745 119.800 0.228 0.000 2.278 323 Q HA 0.415 4.755 4.340 -0.001 0.000 0.257 323 Q C 0.608 176.529 176.000 -0.132 0.000 0.928 323 Q CA 0.205 55.978 55.803 -0.051 0.000 0.932 323 Q CB 0.868 29.578 28.738 -0.045 0.000 1.221 323 Q HN 0.311 nan 8.270 nan 0.000 0.434 324 T N 0.215 114.627 114.554 -0.237 0.000 2.889 324 T HA 0.034 4.383 4.350 -0.001 0.000 0.340 324 T C 1.316 175.907 174.700 -0.182 0.000 1.145 324 T CA 0.245 62.235 62.100 -0.183 0.000 0.986 324 T CB 0.160 68.897 68.868 -0.217 0.000 1.461 324 T HN 0.816 nan 8.240 nan 0.000 0.541 325 N N -0.280 118.326 118.700 -0.157 0.000 2.216 325 N HA -0.079 4.661 4.740 -0.001 0.000 0.183 325 N C 0.356 175.777 175.510 -0.147 0.000 1.017 325 N CA 0.576 53.550 53.050 -0.126 0.000 0.861 325 N CB -0.476 37.950 38.487 -0.101 0.000 0.986 325 N HN 0.364 nan 8.380 nan 0.000 0.428 326 V N 3.574 123.357 119.914 -0.217 0.000 2.405 326 V HA 0.125 4.244 4.120 -0.001 0.000 0.264 326 V C -1.271 174.637 176.094 -0.311 0.000 1.048 326 V CA -1.115 61.040 62.300 -0.242 0.000 0.966 326 V CB 1.176 32.767 31.823 -0.387 0.000 1.015 326 V HN 0.060 nan 8.190 nan 0.000 0.477 327 P HA -0.220 nan 4.420 nan 0.000 0.218 327 P C 0.970 178.159 177.300 -0.184 0.000 1.152 327 P CA 1.799 64.823 63.100 -0.126 0.000 0.857 327 P CB -0.051 31.679 31.700 0.050 0.000 0.787 328 Y N -3.140 117.043 120.300 -0.195 0.000 2.485 328 Y HA 0.390 4.940 4.550 -0.001 0.000 0.260 328 Y C 0.389 176.227 175.900 -0.103 0.000 1.173 328 Y CA -0.990 57.047 58.100 -0.104 0.000 1.252 328 Y CB -0.435 37.985 38.460 -0.068 0.000 1.123 328 Y HN -0.185 nan 8.280 nan 0.000 0.524 329 I N 2.175 122.301 120.570 -0.741 0.000 2.355 329 I HA 0.262 4.432 4.170 -0.001 0.000 0.288 329 I C -1.159 174.667 176.117 -0.485 0.000 0.999 329 I CA -0.829 60.148 61.300 -0.538 0.000 1.163 329 I CB 0.474 38.063 38.000 -0.686 0.000 1.316 329 I HN 0.056 nan 8.210 nan 0.000 0.454 330 Y N 4.048 124.326 120.300 -0.037 0.000 2.567 330 Y HA 0.769 5.319 4.550 -0.001 0.000 0.333 330 Y C 0.353 176.263 175.900 0.016 0.000 1.106 330 Y CA -0.857 57.237 58.100 -0.010 0.000 1.157 330 Y CB 1.996 40.462 38.460 0.011 0.000 1.277 330 Y HN 0.605 nan 8.280 nan 0.000 0.490 331 A N 1.962 124.890 122.820 0.180 0.000 2.455 331 A HA 0.847 5.167 4.320 -0.001 0.000 0.300 331 A C -1.232 176.417 177.584 0.109 0.000 1.040 331 A CA -0.568 51.537 52.037 0.113 0.000 0.697 331 A CB 0.922 19.954 19.000 0.054 0.000 1.265 331 A HN 0.744 nan 8.150 nan 0.000 0.407 332 I N -1.141 119.484 120.570 0.092 0.000 3.264 332 I HA 0.975 5.145 4.170 -0.001 0.000 0.315 332 I C 0.538 176.698 176.117 0.071 0.000 1.154 332 I CA -0.450 60.905 61.300 0.093 0.000 0.962 332 I CB 1.848 39.903 38.000 0.091 0.000 1.265 332 I HN 1.974 nan 8.210 nan 0.000 0.463 333 G N 1.836 110.684 108.800 0.081 0.000 2.632 333 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.224 333 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.224 333 G C -0.052 174.875 174.900 0.045 0.000 1.341 333 G CA 0.500 45.637 45.100 0.061 0.000 0.880 333 G HN 0.828 nan 8.290 nan 0.000 0.566 334 D N 0.239 120.661 120.400 0.037 0.000 2.190 334 D HA -0.134 4.506 4.640 -0.001 0.000 0.200 334 D C 2.542 178.856 176.300 0.023 0.000 0.992 334 D CA 1.733 55.751 54.000 0.030 0.000 0.854 334 D CB -0.245 40.574 40.800 0.032 0.000 0.936 334 D HN 0.727 nan 8.370 nan 0.000 0.462 335 I N -1.713 118.873 120.570 0.026 0.000 2.830 335 I HA -0.059 4.111 4.170 -0.001 0.000 0.263 335 I C 0.661 176.780 176.117 0.002 0.000 1.230 335 I CA 0.152 61.465 61.300 0.021 0.000 1.480 335 I CB -0.399 37.618 38.000 0.029 0.000 1.095 335 I HN -0.157 nan 8.210 nan 0.000 0.455 336 L N 2.269 123.486 121.223 -0.011 0.000 2.482 336 L HA 0.094 4.433 4.340 -0.001 0.000 0.273 336 L C 0.583 177.417 176.870 -0.060 0.000 1.228 336 L CA 0.399 55.212 54.840 -0.045 0.000 0.827 336 L CB 0.183 42.191 42.059 -0.086 0.000 1.099 336 L HN 0.330 nan 8.230 nan 0.000 0.494 337 E N 1.519 121.674 120.200 -0.075 0.000 2.175 337 E HA 0.084 4.434 4.350 -0.001 0.000 0.278 337 E C -0.921 175.620 176.600 -0.097 0.000 0.969 337 E CA -0.591 55.769 56.400 -0.066 0.000 0.796 337 E CB 0.874 30.545 29.700 -0.049 0.000 1.104 337 E HN 0.584 nan 8.360 nan 0.000 0.395 338 D N 2.896 123.248 120.400 -0.080 0.000 2.699 338 D HA -0.157 4.482 4.640 -0.001 0.000 0.239 338 D C -0.384 175.821 176.300 -0.158 0.000 1.136 338 D CA 0.885 54.831 54.000 -0.090 0.000 0.668 338 D CB -0.449 40.306 40.800 -0.074 0.000 1.060 338 D HN 0.441 nan 8.370 nan 0.000 0.429 339 K N -1.018 119.272 120.400 -0.185 0.000 1.828 339 K HA 0.696 5.016 4.320 -0.001 0.000 0.268 339 K C 0.133 176.684 176.600 -0.081 0.000 0.973 339 K CA -0.463 55.635 56.287 -0.315 0.000 1.093 339 K CB 0.715 32.894 32.500 -0.536 0.000 2.798 339 K HN -0.074 nan 8.250 nan 0.000 1.015 340 V N 2.309 122.240 119.914 0.028 0.000 2.482 340 V HA 0.204 4.324 4.120 -0.001 0.000 0.295 340 V C -0.925 175.222 176.094 0.088 0.000 1.026 340 V CA -0.606 61.752 62.300 0.097 0.000 0.856 340 V CB 1.414 33.338 31.823 0.168 0.000 1.001 340 V HN 0.475 nan 8.190 nan 0.000 0.424 341 E N 4.725 124.959 120.200 0.057 0.000 2.676 341 E HA 0.339 4.689 4.350 -0.001 0.000 0.318 341 E C -0.709 175.900 176.600 0.014 0.000 1.514 341 E CA 0.387 56.809 56.400 0.036 0.000 1.667 341 E CB -0.252 29.466 29.700 0.030 0.000 1.336 341 E HN 0.515 nan 8.360 nan 0.000 0.492 342 L N -0.432 120.813 121.223 0.036 0.000 2.381 342 L HA 0.285 4.625 4.340 -0.001 0.000 0.268 342 L C 1.439 178.322 176.870 0.022 0.000 0.997 342 L CA -0.558 54.293 54.840 0.018 0.000 0.818 342 L CB 1.978 44.061 42.059 0.040 0.000 1.310 342 L HN 0.075 nan 8.230 nan 0.000 0.416 343 T N 1.479 116.035 114.554 0.003 0.000 2.620 343 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 343 T C -1.060 173.647 174.700 0.011 0.000 1.044 343 T CA 2.005 64.106 62.100 0.001 0.000 1.161 343 T CB -0.648 68.212 68.868 -0.014 0.000 0.862 343 T HN 0.495 nan 8.240 nan 0.000 0.438 344 P HA 0.034 nan 4.420 nan 0.000 0.222 344 P C 1.443 178.748 177.300 0.008 0.000 1.147 344 P CA 0.463 63.570 63.100 0.012 0.000 0.790 344 P CB -0.096 31.613 31.700 0.015 0.000 0.780 345 V N -0.106 119.824 119.914 0.028 0.000 2.488 345 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 345 V C 2.419 178.547 176.094 0.056 0.000 1.046 345 V CA 1.945 64.268 62.300 0.039 0.000 1.053 345 V CB -1.599 30.296 31.823 0.119 0.000 0.679 345 V HN 0.087 nan 8.190 nan 0.000 0.458 346 A N 0.493 123.349 122.820 0.059 0.000 1.865 346 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 346 A C 2.175 179.777 177.584 0.031 0.000 1.191 346 A CA 2.063 54.133 52.037 0.056 0.000 0.623 346 A CB -0.577 18.443 19.000 0.034 0.000 0.826 346 A HN 0.479 nan 8.150 nan 0.000 0.444 347 I N -0.851 119.727 120.570 0.014 0.000 2.208 347 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 347 I C 2.801 178.914 176.117 -0.006 0.000 1.097 347 I CA 1.998 63.300 61.300 0.004 0.000 1.363 347 I CB -0.526 37.476 38.000 0.002 0.000 1.051 347 I HN 0.450 nan 8.210 nan 0.000 0.413 348 Q N 1.344 121.132 119.800 -0.020 0.000 2.084 348 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 348 Q C 2.211 178.184 176.000 -0.046 0.000 0.978 348 Q CA 2.309 58.084 55.803 -0.047 0.000 0.844 348 Q CB -0.273 28.411 28.738 -0.089 0.000 0.898 348 Q HN 0.485 nan 8.270 nan 0.000 0.426 349 A N -0.177 122.627 122.820 -0.027 0.000 1.877 349 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 349 A C 2.287 179.877 177.584 0.010 0.000 1.186 349 A CA 1.677 53.718 52.037 0.006 0.000 0.620 349 A CB -1.515 17.550 19.000 0.108 0.000 0.822 349 A HN 0.560 nan 8.150 nan 0.000 0.443 350 G N -0.484 108.326 108.800 0.017 0.000 2.480 350 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.216 350 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.216 350 G C 1.767 176.672 174.900 0.008 0.000 1.200 350 G CA 1.025 46.134 45.100 0.014 0.000 0.782 350 G HN 0.554 nan 8.290 nan 0.000 0.554 351 R N -0.282 120.221 120.500 0.006 0.000 2.083 351 R HA 0.014 4.354 4.340 -0.001 0.000 0.237 351 R C 2.730 179.043 176.300 0.022 0.000 1.137 351 R CA 1.254 57.363 56.100 0.015 0.000 0.951 351 R CB -0.560 29.743 30.300 0.004 0.000 0.851 351 R HN 0.325 nan 8.270 nan 0.000 0.434 352 L N 0.438 121.657 121.223 -0.007 0.000 2.093 352 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 352 L C 2.447 179.289 176.870 -0.047 0.000 1.085 352 L CA 0.529 55.356 54.840 -0.022 0.000 0.755 352 L CB -0.404 41.629 42.059 -0.044 0.000 0.904 352 L HN 0.211 nan 8.230 nan 0.000 0.435 353 L N 0.426 121.613 121.223 -0.061 0.000 1.989 353 L HA -0.206 4.133 4.340 -0.001 0.000 0.211 353 L C 2.632 179.397 176.870 -0.177 0.000 1.071 353 L CA 2.205 56.962 54.840 -0.139 0.000 0.749 353 L CB -0.781 41.195 42.059 -0.138 0.000 0.890 353 L HN 0.147 nan 8.230 nan 0.000 0.431 354 A N -1.218 121.567 122.820 -0.059 0.000 1.908 354 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 354 A C 2.247 179.867 177.584 0.060 0.000 1.181 354 A CA 1.922 53.984 52.037 0.042 0.000 0.627 354 A CB -0.668 18.466 19.000 0.223 0.000 0.818 354 A HN 0.681 nan 8.150 nan 0.000 0.445 355 Q N -0.950 118.898 119.800 0.080 0.000 2.124 355 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 355 Q C 2.382 178.302 176.000 -0.133 0.000 0.977 355 Q CA 1.546 57.363 55.803 0.023 0.000 0.850 355 Q CB -0.108 28.657 28.738 0.045 0.000 0.901 355 Q HN 0.626 nan 8.270 nan 0.000 0.429 356 R N -0.224 120.184 120.500 -0.153 0.000 2.090 356 R HA -0.044 4.296 4.340 -0.001 0.000 0.228 356 R C 2.214 178.351 176.300 -0.272 0.000 1.110 356 R CA 0.866 56.858 56.100 -0.180 0.000 0.973 356 R CB -0.070 30.135 30.300 -0.158 0.000 0.869 356 R HN 0.257 nan 8.270 nan 0.000 0.440 357 L N -0.900 120.053 121.223 -0.451 0.000 2.044 357 L HA -0.128 4.212 4.340 -0.001 0.000 0.205 357 L C 1.300 177.786 176.870 -0.641 0.000 1.075 357 L CA 1.325 55.735 54.840 -0.716 0.000 0.747 357 L CB -0.191 41.071 42.059 -1.328 0.000 0.903 357 L HN 0.232 nan 8.230 nan 0.000 0.435 358 Y N -1.400 118.841 120.300 -0.099 0.000 2.507 358 Y HA 0.403 4.953 4.550 -0.001 0.000 0.254 358 Y C 1.252 176.886 175.900 -0.442 0.000 1.171 358 Y CA -0.092 57.913 58.100 -0.158 0.000 1.238 358 Y CB 0.093 38.567 38.460 0.022 0.000 1.148 358 Y HN 0.040 nan 8.280 nan 0.000 0.525 359 A N -0.923 121.667 122.820 -0.384 0.000 2.630 359 A HA 0.578 4.898 4.320 -0.001 0.000 0.287 359 A C 1.718 179.153 177.584 -0.249 0.000 1.040 359 A CA 0.255 51.993 52.037 -0.498 0.000 0.971 359 A CB -0.523 17.951 19.000 -0.878 0.000 1.241 359 A HN 0.460 nan 8.150 nan 0.000 0.558 360 G N 0.157 108.853 108.800 -0.172 0.000 2.196 360 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.268 360 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.268 360 G C 0.768 175.612 174.900 -0.094 0.000 0.975 360 G CA 1.094 46.127 45.100 -0.111 0.000 0.648 360 G HN 1.592 nan 8.290 nan 0.000 0.538 361 S N -0.356 115.280 115.700 -0.107 0.000 2.580 361 S HA 0.455 4.924 4.470 -0.001 0.000 0.261 361 S C 1.472 176.034 174.600 -0.064 0.000 1.366 361 S CA 1.791 59.947 58.200 -0.074 0.000 0.996 361 S CB 0.621 63.782 63.200 -0.065 0.000 0.902 361 S HN 1.583 nan 8.310 nan 0.000 0.566 362 T N -0.620 113.906 114.554 -0.047 0.000 3.475 362 T HA 0.308 4.658 4.350 -0.001 0.000 0.310 362 T C -0.556 174.124 174.700 -0.032 0.000 0.963 362 T CA -0.435 61.642 62.100 -0.038 0.000 0.985 362 T CB -0.467 68.384 68.868 -0.029 0.000 1.198 362 T HN 0.314 nan 8.240 nan 0.000 0.508 363 V N 2.817 122.709 119.914 -0.037 0.000 2.406 363 V HA 0.424 4.544 4.120 -0.001 0.000 0.272 363 V C 0.159 176.229 176.094 -0.040 0.000 1.043 363 V CA -0.709 61.569 62.300 -0.035 0.000 0.915 363 V CB 1.039 32.840 31.823 -0.036 0.000 0.988 363 V HN 0.396 nan 8.190 nan 0.000 0.466 364 K N 2.839 123.219 120.400 -0.034 0.000 2.087 364 K HA 0.482 4.802 4.320 -0.001 0.000 0.255 364 K C -0.251 176.301 176.600 -0.080 0.000 0.988 364 K CA -0.580 55.688 56.287 -0.033 0.000 0.915 364 K CB 1.489 33.990 32.500 0.002 0.000 1.043 364 K HN 0.682 nan 8.250 nan 0.000 0.457 365 C N 1.997 121.219 119.300 -0.131 0.000 2.576 365 C HA 0.099 4.559 4.460 -0.001 0.000 0.401 365 C C 0.042 174.790 174.990 -0.403 0.000 1.314 365 C CA -0.286 58.546 59.018 -0.309 0.000 1.855 365 C CB -0.665 26.809 27.740 -0.443 0.000 2.537 365 C HN 0.691 nan 8.230 nan 0.000 0.578 366 D N 3.870 124.076 120.400 -0.324 0.000 2.365 366 D HA 0.187 4.827 4.640 -0.001 0.000 0.237 366 D C 0.032 176.176 176.300 -0.258 0.000 1.190 366 D CA -0.007 53.871 54.000 -0.204 0.000 0.867 366 D CB 0.256 40.993 40.800 -0.105 0.000 1.050 366 D HN 0.723 nan 8.370 nan 0.000 0.491 367 Y N 1.555 121.857 120.300 0.005 0.000 2.490 367 Y HA 0.086 4.635 4.550 -0.001 0.000 0.281 367 Y C 0.986 176.889 175.900 0.006 0.000 1.174 367 Y CA -0.104 58.000 58.100 0.006 0.000 1.295 367 Y CB 0.393 38.858 38.460 0.007 0.000 1.062 367 Y HN 0.216 nan 8.280 nan 0.000 0.522 368 E N 1.019 121.282 120.200 0.105 0.000 2.343 368 E HA 0.035 4.385 4.350 -0.001 0.000 0.269 368 E C -0.030 176.597 176.600 0.044 0.000 1.047 368 E CA -0.314 56.130 56.400 0.073 0.000 0.874 368 E CB 0.363 30.097 29.700 0.056 0.000 1.033 368 E HN 0.267 nan 8.360 nan 0.000 0.409 369 N N 0.179 118.906 118.700 0.045 0.000 2.698 369 N HA -0.176 4.564 4.740 -0.001 0.000 0.258 369 N C -0.574 174.946 175.510 0.018 0.000 0.978 369 N CA 0.425 53.494 53.050 0.031 0.000 0.777 369 N CB -1.242 37.257 38.487 0.020 0.000 0.907 369 N HN 0.171 nan 8.380 nan 0.000 0.543 370 V N 1.617 121.552 119.914 0.034 0.000 2.583 370 V HA 0.269 4.389 4.120 -0.001 0.000 0.287 370 V C -1.133 174.981 176.094 0.033 0.000 1.051 370 V CA -0.858 61.461 62.300 0.031 0.000 1.010 370 V CB 1.361 33.220 31.823 0.061 0.000 0.988 370 V HN 0.213 nan 8.190 nan 0.000 0.478 371 P HA 0.428 nan 4.420 nan 0.000 0.281 371 P C -0.645 176.691 177.300 0.059 0.000 1.264 371 P CA -0.259 62.854 63.100 0.022 0.000 0.824 371 P CB 1.799 33.491 31.700 -0.014 0.000 1.092 372 T N -0.842 113.751 114.554 0.065 0.000 2.821 372 T HA 0.543 4.892 4.350 -0.001 0.000 0.306 372 T C -1.525 173.175 174.700 -0.001 0.000 1.313 372 T CA -0.238 61.928 62.100 0.110 0.000 1.012 372 T CB 1.150 70.182 68.868 0.274 0.000 1.298 372 T HN 0.374 nan 8.240 nan 0.000 0.502 373 T N 1.980 116.511 114.554 -0.038 0.000 2.991 373 T HA 0.489 4.839 4.350 -0.001 0.000 0.303 373 T C -0.929 173.555 174.700 -0.361 0.000 1.015 373 T CA -0.438 61.466 62.100 -0.327 0.000 1.007 373 T CB 1.349 69.872 68.868 -0.575 0.000 1.034 373 T HN 0.501 nan 8.240 nan 0.000 0.446 374 V N 4.308 124.034 119.914 -0.314 0.000 2.368 374 V HA 0.295 4.414 4.120 -0.001 0.000 0.266 374 V C -0.016 175.935 176.094 -0.239 0.000 1.045 374 V CA -0.500 61.724 62.300 -0.128 0.000 0.899 374 V CB -0.201 31.520 31.823 -0.171 0.000 1.006 374 V HN 0.877 nan 8.190 nan 0.000 0.470 375 F N 3.594 123.553 119.950 0.014 0.000 2.668 375 F HA 0.107 4.634 4.527 -0.001 0.000 0.365 375 F C 1.668 177.305 175.800 -0.272 0.000 1.165 375 F CA -0.319 57.555 58.000 -0.209 0.000 1.344 375 F CB -0.787 37.997 39.000 -0.360 0.000 1.658 375 F HN 0.569 nan 8.300 nan 0.000 0.620 376 T N -2.392 112.182 114.554 0.033 0.000 2.754 376 T HA 0.130 4.479 4.350 -0.001 0.000 0.286 376 T C -1.441 173.381 174.700 0.202 0.000 0.997 376 T CA -1.613 60.556 62.100 0.115 0.000 0.982 376 T CB 0.741 69.673 68.868 0.106 0.000 1.027 376 T HN -0.052 nan 8.240 nan 0.000 0.529 377 P HA -0.026 nan 4.420 nan 0.000 0.216 377 P C 0.219 177.624 177.300 0.174 0.000 1.157 377 P CA 0.706 63.983 63.100 0.295 0.000 0.880 377 P CB -0.003 31.869 31.700 0.286 0.000 0.791 378 L N 0.021 121.222 121.223 -0.037 0.000 2.265 378 L HA 0.229 4.569 4.340 -0.001 0.000 0.289 378 L C 0.056 176.951 176.870 0.041 0.000 1.033 378 L CA -0.642 54.117 54.840 -0.135 0.000 0.814 378 L CB 0.503 42.195 42.059 -0.611 0.000 1.203 378 L HN -0.121 nan 8.230 nan 0.000 0.423 379 E N 3.332 123.617 120.200 0.142 0.000 2.404 379 E HA 0.095 4.445 4.350 -0.001 0.000 0.261 379 E C -1.494 175.193 176.600 0.146 0.000 1.074 379 E CA 0.084 56.550 56.400 0.109 0.000 0.917 379 E CB 0.790 30.563 29.700 0.121 0.000 0.965 379 E HN 0.445 nan 8.360 nan 0.000 0.433 380 Y N 0.592 120.842 120.300 -0.084 0.000 2.338 380 Y HA 0.517 5.067 4.550 -0.001 0.000 0.333 380 Y C -0.527 175.349 175.900 -0.041 0.000 0.968 380 Y CA -1.100 56.980 58.100 -0.034 0.000 1.123 380 Y CB 1.445 39.858 38.460 -0.079 0.000 1.165 380 Y HN 0.483 nan 8.280 nan 0.000 0.452 381 G N 3.266 112.040 108.800 -0.044 0.000 2.452 381 G HA2 0.802 4.761 3.960 -0.001 0.000 0.324 381 G HA3 0.802 4.761 3.960 -0.001 0.000 0.324 381 G C -1.704 173.069 174.900 -0.212 0.000 1.214 381 G CA -0.432 44.576 45.100 -0.154 0.000 0.947 381 G HN 1.049 nan 8.290 nan 0.000 0.478 382 A N -0.091 122.607 122.820 -0.203 0.000 2.587 382 A HA 0.792 5.111 4.320 -0.001 0.000 0.293 382 A C -1.172 176.422 177.584 0.016 0.000 1.087 382 A CA -0.602 51.389 52.037 -0.075 0.000 0.692 382 A CB 1.663 20.593 19.000 -0.116 0.000 1.291 382 A HN 1.767 nan 8.150 nan 0.000 0.407 383 C N 0.549 119.860 119.300 0.019 0.000 3.006 383 C HA 0.799 5.259 4.460 -0.001 0.000 0.359 383 C C 0.583 175.569 174.990 -0.006 0.000 1.103 383 C CA 1.317 60.341 59.018 0.009 0.000 1.286 383 C CB 0.651 28.371 27.740 -0.034 0.000 1.694 383 C HN 2.998 nan 8.230 nan 0.000 0.511 384 G N 4.111 112.925 108.800 0.023 0.000 2.508 384 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.220 384 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.220 384 G C -1.015 173.939 174.900 0.091 0.000 1.287 384 G CA -0.226 44.904 45.100 0.051 0.000 0.916 384 G HN 1.131 nan 8.290 nan 0.000 0.574 385 L N 1.223 122.529 121.223 0.140 0.000 2.375 385 L HA 0.552 4.892 4.340 -0.001 0.000 0.271 385 L C 1.503 178.580 176.870 0.345 0.000 1.107 385 L CA -0.141 54.817 54.840 0.196 0.000 0.806 385 L CB 1.439 43.612 42.059 0.191 0.000 1.146 385 L HN 0.971 nan 8.230 nan 0.000 0.447 386 S N 0.094 115.967 115.700 0.287 0.000 2.624 386 S HA 0.086 4.556 4.470 -0.001 0.000 0.263 386 S C 0.812 175.505 174.600 0.156 0.000 1.287 386 S CA -0.524 57.820 58.200 0.240 0.000 0.990 386 S CB 1.520 64.799 63.200 0.131 0.000 0.950 386 S HN 0.758 nan 8.310 nan 0.000 0.561 387 E N 0.753 120.985 120.200 0.053 0.000 2.031 387 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 387 E C 1.652 178.284 176.600 0.052 0.000 0.994 387 E CA 1.692 58.124 56.400 0.054 0.000 0.800 387 E CB -0.258 29.439 29.700 -0.006 0.000 0.752 387 E HN 0.806 nan 8.360 nan 0.000 0.447 388 E N 0.733 120.950 120.200 0.029 0.000 2.049 388 E HA -0.234 4.115 4.350 -0.001 0.000 0.198 388 E C 2.013 178.632 176.600 0.033 0.000 1.007 388 E CA 1.475 57.890 56.400 0.024 0.000 0.809 388 E CB -0.155 29.553 29.700 0.014 0.000 0.749 388 E HN -0.005 nan 8.360 nan 0.000 0.450 389 K N 0.322 120.748 120.400 0.043 0.000 2.103 389 K HA -0.066 4.254 4.320 -0.001 0.000 0.207 389 K C 1.859 178.485 176.600 0.044 0.000 1.048 389 K CA 1.390 57.698 56.287 0.035 0.000 0.930 389 K CB -0.522 32.005 32.500 0.046 0.000 0.716 389 K HN 0.197 nan 8.250 nan 0.000 0.444 390 A N -0.239 122.643 122.820 0.104 0.000 1.854 390 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 390 A C 2.256 179.940 177.584 0.166 0.000 1.192 390 A CA 1.617 53.765 52.037 0.184 0.000 0.611 390 A CB -0.760 18.386 19.000 0.244 0.000 0.832 390 A HN 0.060 nan 8.150 nan 0.000 0.442 391 V N 0.265 120.246 119.914 0.112 0.000 2.324 391 V HA -0.331 3.789 4.120 -0.001 0.000 0.250 391 V C 2.419 178.542 176.094 0.048 0.000 1.060 391 V CA 2.441 64.792 62.300 0.084 0.000 1.042 391 V CB -0.928 30.923 31.823 0.046 0.000 0.650 391 V HN 0.641 nan 8.190 nan 0.000 0.450 392 E N 0.101 120.308 120.200 0.012 0.000 2.012 392 E HA -0.293 4.056 4.350 -0.001 0.000 0.197 392 E C 2.374 178.927 176.600 -0.077 0.000 1.007 392 E CA 1.803 58.188 56.400 -0.025 0.000 0.816 392 E CB -0.191 29.489 29.700 -0.033 0.000 0.762 392 E HN 0.541 nan 8.360 nan 0.000 0.451 393 K N -0.428 119.875 120.400 -0.163 0.000 2.063 393 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 393 K C 1.513 177.822 176.600 -0.486 0.000 1.048 393 K CA 1.661 57.716 56.287 -0.388 0.000 0.928 393 K CB -0.054 32.076 32.500 -0.617 0.000 0.713 393 K HN 0.092 nan 8.250 nan 0.000 0.442 394 F N -0.560 119.400 119.950 0.017 0.000 2.724 394 F HA 0.306 4.833 4.527 -0.000 0.000 0.306 394 F C 0.491 176.297 175.800 0.011 0.000 1.100 394 F CA 0.110 58.119 58.000 0.015 0.000 1.255 394 F CB 1.489 40.501 39.000 0.020 0.000 1.072 394 F HN 0.152 nan 8.300 nan 0.000 0.589 395 G N 1.646 110.532 108.800 0.143 0.000 3.190 395 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.686 395 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.686 395 G C 0.410 175.364 174.900 0.091 0.000 1.033 395 G CA -0.245 44.911 45.100 0.093 0.000 0.797 395 G HN 0.123 nan 8.290 nan 0.000 0.567 396 E N 1.223 121.455 120.200 0.054 0.000 2.086 396 E HA -0.235 4.114 4.350 -0.001 0.000 0.200 396 E C 2.390 179.005 176.600 0.026 0.000 1.012 396 E CA 1.997 58.418 56.400 0.035 0.000 0.812 396 E CB 0.005 29.715 29.700 0.017 0.000 0.743 396 E HN 0.809 nan 8.360 nan 0.000 0.453 397 E N 0.040 120.256 120.200 0.026 0.000 2.396 397 E HA -0.166 4.183 4.350 -0.001 0.000 0.200 397 E C 0.859 177.470 176.600 0.018 0.000 1.023 397 E CA 0.751 57.161 56.400 0.017 0.000 0.857 397 E CB -0.377 29.333 29.700 0.018 0.000 0.775 397 E HN 0.269 nan 8.360 nan 0.000 0.525 398 N N 0.336 119.058 118.700 0.037 0.000 2.204 398 N HA 0.135 4.874 4.740 -0.001 0.000 0.219 398 N C -0.360 175.152 175.510 0.004 0.000 1.151 398 N CA -0.117 52.948 53.050 0.025 0.000 0.867 398 N CB 0.987 39.506 38.487 0.054 0.000 1.043 398 N HN 0.075 nan 8.380 nan 0.000 0.516 399 I N 1.266 121.844 120.570 0.014 0.000 2.378 399 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 399 I C 0.040 176.132 176.117 -0.041 0.000 0.992 399 I CA -0.821 60.481 61.300 0.003 0.000 1.154 399 I CB 1.749 39.778 38.000 0.047 0.000 1.315 399 I HN -0.145 nan 8.210 nan 0.000 0.448 400 E N 5.381 125.546 120.200 -0.059 0.000 2.176 400 E HA 0.535 4.885 4.350 -0.001 0.000 0.267 400 E C -1.410 175.069 176.600 -0.202 0.000 0.893 400 E CA -0.495 55.806 56.400 -0.165 0.000 0.761 400 E CB 1.715 31.322 29.700 -0.155 0.000 1.133 400 E HN 0.269 nan 8.360 nan 0.000 0.409 401 V N 5.802 125.532 119.914 -0.306 0.000 2.347 401 V HA 0.340 4.459 4.120 -0.001 0.000 0.280 401 V C -0.846 175.002 176.094 -0.410 0.000 1.021 401 V CA -0.684 61.465 62.300 -0.252 0.000 0.847 401 V CB 0.279 31.973 31.823 -0.214 0.000 0.990 401 V HN 0.597 nan 8.190 nan 0.000 0.444 402 Y N 4.759 125.029 120.300 -0.051 0.000 2.323 402 Y HA 0.651 5.200 4.550 -0.001 0.000 0.331 402 Y C 0.625 176.526 175.900 0.001 0.000 1.092 402 Y CA -0.399 57.688 58.100 -0.021 0.000 1.150 402 Y CB 1.142 39.607 38.460 0.007 0.000 1.200 402 Y HN 0.837 nan 8.280 nan 0.000 0.472 403 H N -1.018 118.038 119.070 -0.022 0.000 3.008 403 H HA 0.843 5.399 4.556 -0.000 0.000 0.354 403 H C -1.474 173.706 175.328 -0.247 0.000 1.252 403 H CA -1.184 54.733 56.048 -0.219 0.000 1.117 403 H CB 2.198 31.805 29.762 -0.257 0.000 1.857 403 H HN 0.533 nan 8.280 nan 0.000 0.547 404 S N 0.869 116.292 115.700 -0.462 0.000 2.552 404 S HA 0.307 4.776 4.470 -0.001 0.000 0.272 404 S C -1.865 172.551 174.600 -0.305 0.000 1.150 404 S CA -0.721 57.256 58.200 -0.372 0.000 0.849 404 S CB 0.992 64.090 63.200 -0.171 0.000 1.113 404 S HN 0.565 nan 8.310 nan 0.000 0.458 405 Y N 2.200 122.503 120.300 0.004 0.000 2.326 405 Y HA 0.668 5.218 4.550 -0.001 0.000 0.324 405 Y C 0.265 176.278 175.900 0.188 0.000 1.291 405 Y CA -0.135 58.022 58.100 0.094 0.000 1.348 405 Y CB 1.017 39.506 38.460 0.048 0.000 1.294 405 Y HN 0.684 nan 8.280 nan 0.000 0.525 406 F N -1.252 118.816 119.950 0.197 0.000 2.668 406 F HA 0.535 5.061 4.527 -0.001 0.000 0.309 406 F C -2.047 173.870 175.800 0.195 0.000 1.117 406 F CA -1.669 56.401 58.000 0.117 0.000 0.951 406 F CB 1.189 40.179 39.000 -0.016 0.000 1.323 406 F HN 0.400 nan 8.300 nan 0.000 0.451 407 W N 4.895 126.286 121.300 0.150 0.000 2.463 407 W HA 0.664 5.324 4.660 -0.001 0.000 0.316 407 W C -2.940 173.546 176.519 -0.055 0.000 1.004 407 W CA -3.390 53.949 57.345 -0.010 0.000 1.309 407 W CB 1.151 30.650 29.460 0.066 0.000 1.288 407 W HN 0.388 nan 8.180 nan 0.000 0.423 408 P HA -0.131 nan 4.420 nan 0.000 0.261 408 P C 1.043 178.072 177.300 -0.451 0.000 1.173 408 P CA 0.066 62.898 63.100 -0.448 0.000 0.760 408 P CB 0.671 31.739 31.700 -1.053 0.000 0.783 409 L N 4.293 125.356 121.223 -0.268 0.000 2.043 409 L HA -0.239 4.101 4.340 -0.001 0.000 0.212 409 L C 1.663 178.437 176.870 -0.160 0.000 1.075 409 L CA 2.067 56.765 54.840 -0.236 0.000 0.752 409 L CB -1.009 40.969 42.059 -0.135 0.000 0.891 409 L HN 0.300 nan 8.230 nan 0.000 0.432 410 E N -1.423 118.743 120.200 -0.056 0.000 2.401 410 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 410 E C 1.569 178.391 176.600 0.369 0.000 1.023 410 E CA 1.026 57.532 56.400 0.176 0.000 0.859 410 E CB -0.314 29.487 29.700 0.168 0.000 0.780 410 E HN 0.592 nan 8.360 nan 0.000 0.523 411 W N 0.123 121.375 121.300 -0.081 0.000 2.942 411 W HA 0.113 4.772 4.660 -0.001 0.000 0.263 411 W C 2.016 178.446 176.519 -0.149 0.000 1.296 411 W CA 0.953 58.283 57.345 -0.024 0.000 1.504 411 W CB -1.029 28.495 29.460 0.107 0.000 1.096 411 W HN 0.149 nan 8.180 nan 0.000 0.639 412 T N -1.687 112.671 114.554 -0.327 0.000 2.708 412 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 412 T C 1.880 176.512 174.700 -0.113 0.000 1.037 412 T CA 1.356 63.173 62.100 -0.472 0.000 1.146 412 T CB -0.627 67.855 68.868 -0.644 0.000 0.865 412 T HN 0.056 nan 8.240 nan 0.000 0.435 413 I N 2.053 122.539 120.570 -0.141 0.000 2.179 413 I HA -0.052 4.118 4.170 -0.001 0.000 0.242 413 I C -0.522 175.515 176.117 -0.133 0.000 1.088 413 I CA 1.217 62.367 61.300 -0.251 0.000 1.357 413 I CB -1.107 36.477 38.000 -0.693 0.000 1.051 413 I HN 0.245 nan 8.210 nan 0.000 0.409 414 P HA -0.105 nan 4.420 nan 0.000 0.226 414 P C 0.436 177.804 177.300 0.113 0.000 1.153 414 P CA 0.794 63.942 63.100 0.080 0.000 0.777 414 P CB 0.049 31.846 31.700 0.163 0.000 0.794 415 S N -0.463 115.345 115.700 0.180 0.000 3.766 415 S HA -0.166 4.304 4.470 -0.001 0.000 0.416 415 S C 0.088 174.861 174.600 0.290 0.000 0.902 415 S CA 0.423 58.793 58.200 0.283 0.000 1.283 415 S CB -1.483 61.817 63.200 0.167 0.000 0.891 415 S HN 0.474 nan 8.310 nan 0.000 0.556 416 R N 0.388 121.131 120.500 0.404 0.000 2.799 416 R HA 0.671 5.010 4.340 -0.001 0.000 0.270 416 R C -0.775 175.751 176.300 0.377 0.000 1.010 416 R CA -0.450 55.807 56.100 0.263 0.000 0.916 416 R CB 0.317 30.668 30.300 0.085 0.000 1.228 416 R HN 0.090 nan 8.270 nan 0.000 0.469 417 D N 0.559 121.060 120.400 0.169 0.000 2.779 417 D HA -0.255 4.385 4.640 -0.001 0.000 0.223 417 D C -0.766 175.615 176.300 0.135 0.000 1.227 417 D CA 1.114 55.215 54.000 0.170 0.000 0.653 417 D CB -0.941 39.917 40.800 0.096 0.000 0.973 417 D HN 0.662 nan 8.370 nan 0.000 0.402 418 N N 1.124 119.592 118.700 -0.386 0.000 2.482 418 N HA -0.029 4.711 4.740 -0.001 0.000 0.260 418 N C 0.460 175.666 175.510 -0.507 0.000 1.236 418 N CA -0.313 52.056 53.050 -1.135 0.000 0.938 418 N CB 0.440 37.952 38.487 -1.625 0.000 1.128 418 N HN 0.053 nan 8.380 nan 0.000 0.448 419 N N 0.895 119.349 118.700 -0.410 0.000 2.721 419 N HA -0.155 4.585 4.740 -0.001 0.000 0.249 419 N C -0.296 175.006 175.510 -0.347 0.000 1.072 419 N CA 0.661 53.468 53.050 -0.405 0.000 0.710 419 N CB -0.411 37.719 38.487 -0.595 0.000 0.993 419 N HN 0.665 nan 8.380 nan 0.000 0.547 420 K N -0.681 119.692 120.400 -0.045 0.000 2.286 420 K HA 0.213 4.532 4.320 -0.001 0.000 0.203 420 K C 0.972 177.642 176.600 0.116 0.000 1.078 420 K CA 0.362 56.705 56.287 0.093 0.000 0.957 420 K CB -0.127 32.527 32.500 0.257 0.000 1.018 420 K HN 0.255 nan 8.250 nan 0.000 0.484 421 C N 1.904 121.153 119.300 -0.086 0.000 2.703 421 C HA 0.231 4.691 4.460 -0.001 0.000 0.411 421 C C 0.320 175.132 174.990 -0.297 0.000 1.290 421 C CA -0.266 58.447 59.018 -0.508 0.000 2.054 421 C CB -1.010 25.814 27.740 -1.528 0.000 2.732 421 C HN 0.430 nan 8.230 nan 0.000 0.650 422 Y N 0.261 120.382 120.300 -0.298 0.000 2.519 422 Y HA 0.586 5.136 4.550 -0.001 0.000 0.336 422 Y C -0.510 175.470 175.900 0.133 0.000 1.089 422 Y CA -0.404 57.659 58.100 -0.062 0.000 1.025 422 Y CB 0.875 39.262 38.460 -0.121 0.000 1.318 422 Y HN 0.900 nan 8.280 nan 0.000 0.452 423 A N 5.568 128.074 122.820 -0.524 0.000 2.401 423 A HA 0.878 5.197 4.320 -0.001 0.000 0.310 423 A C -1.585 175.611 177.584 -0.647 0.000 1.075 423 A CA -0.822 50.919 52.037 -0.494 0.000 0.746 423 A CB 1.935 20.405 19.000 -0.883 0.000 1.277 423 A HN 0.702 nan 8.150 nan 0.000 0.425 424 K N 1.310 121.570 120.400 -0.234 0.000 2.572 424 K HA 0.592 4.912 4.320 -0.001 0.000 0.263 424 K C -1.848 174.806 176.600 0.090 0.000 0.932 424 K CA -0.534 55.703 56.287 -0.083 0.000 0.838 424 K CB 1.516 33.986 32.500 -0.050 0.000 1.366 424 K HN 1.024 nan 8.250 nan 0.000 0.425 425 I N 0.505 121.158 120.570 0.138 0.000 2.828 425 I HA 0.579 4.748 4.170 -0.001 0.000 0.302 425 I C -1.278 174.952 176.117 0.189 0.000 1.101 425 I CA -1.319 60.076 61.300 0.157 0.000 1.031 425 I CB 1.913 40.015 38.000 0.170 0.000 1.231 425 I HN 0.403 nan 8.210 nan 0.000 0.427 426 I N 4.383 125.062 120.570 0.182 0.000 2.362 426 I HA 0.415 4.584 4.170 -0.001 0.000 0.289 426 I C -0.554 175.638 176.117 0.125 0.000 0.994 426 I CA -0.036 61.354 61.300 0.151 0.000 1.158 426 I CB 1.440 39.547 38.000 0.179 0.000 1.315 426 I HN 0.640 nan 8.210 nan 0.000 0.451 427 C N 4.257 123.625 119.300 0.113 0.000 2.411 427 C HA 0.479 4.939 4.460 -0.001 0.000 0.330 427 C C 0.384 175.355 174.990 -0.030 0.000 1.224 427 C CA -0.793 58.266 59.018 0.069 0.000 1.770 427 C CB 1.134 28.971 27.740 0.161 0.000 2.297 427 C HN 0.752 nan 8.230 nan 0.000 0.507 428 N N 1.158 119.769 118.700 -0.148 0.000 2.437 428 N HA 0.157 4.897 4.740 -0.001 0.000 0.243 428 N C 0.975 176.376 175.510 -0.181 0.000 1.041 428 N CA -0.042 52.821 53.050 -0.311 0.000 0.940 428 N CB 0.790 38.825 38.487 -0.755 0.000 1.133 428 N HN 0.678 nan 8.380 nan 0.000 0.506 429 T N 2.650 117.142 114.554 -0.103 0.000 2.881 429 T HA -0.187 4.163 4.350 -0.001 0.000 0.270 429 T C 1.407 176.074 174.700 -0.056 0.000 1.068 429 T CA 1.241 63.310 62.100 -0.050 0.000 1.131 429 T CB -0.090 68.766 68.868 -0.021 0.000 0.871 429 T HN 0.707 nan 8.240 nan 0.000 0.479 430 K N 1.250 121.600 120.400 -0.082 0.000 2.487 430 K HA 0.013 4.333 4.320 -0.001 0.000 0.192 430 K C 0.312 176.875 176.600 -0.061 0.000 1.027 430 K CA 0.887 57.145 56.287 -0.049 0.000 1.054 430 K CB 0.216 32.706 32.500 -0.016 0.000 0.824 430 K HN 0.135 nan 8.250 nan 0.000 0.510 431 D N 0.939 121.277 120.400 -0.103 0.000 2.938 431 D HA 0.170 4.809 4.640 -0.001 0.000 0.369 431 D C -1.078 175.185 176.300 -0.063 0.000 1.301 431 D CA -0.422 53.526 54.000 -0.085 0.000 0.805 431 D CB -0.554 40.164 40.800 -0.136 0.000 1.161 431 D HN 0.270 nan 8.370 nan 0.000 0.474 432 N N 1.517 120.194 118.700 -0.038 0.000 2.725 432 N HA -0.248 4.491 4.740 -0.001 0.000 0.249 432 N C -0.538 174.960 175.510 -0.020 0.000 1.103 432 N CA 0.812 53.849 53.050 -0.023 0.000 0.707 432 N CB -0.680 37.796 38.487 -0.019 0.000 1.043 432 N HN 0.473 nan 8.380 nan 0.000 0.553 433 E N -0.965 119.220 120.200 -0.025 0.000 2.360 433 E HA -0.322 4.027 4.350 -0.001 0.000 0.238 433 E C 0.019 176.613 176.600 -0.010 0.000 1.186 433 E CA 0.494 56.892 56.400 -0.003 0.000 0.719 433 E CB -0.471 29.252 29.700 0.039 0.000 1.236 433 E HN 0.406 nan 8.360 nan 0.000 0.386 434 R N -0.261 120.213 120.500 -0.044 0.000 2.623 434 R HA 0.121 4.461 4.340 -0.001 0.000 0.271 434 R C -0.177 176.116 176.300 -0.012 0.000 1.043 434 R CA -0.028 56.054 56.100 -0.030 0.000 1.083 434 R CB 0.727 30.998 30.300 -0.048 0.000 0.974 434 R HN -0.014 nan 8.270 nan 0.000 0.436 435 V N 6.848 126.775 119.914 0.023 0.000 2.364 435 V HA -0.045 4.075 4.120 -0.001 0.000 0.252 435 V C 1.239 177.369 176.094 0.059 0.000 1.075 435 V CA 0.229 62.565 62.300 0.059 0.000 1.033 435 V CB 0.728 32.600 31.823 0.082 0.000 1.116 435 V HN 0.767 nan 8.190 nan 0.000 0.488 436 V N 2.546 122.499 119.914 0.065 0.000 3.235 436 V HA 0.511 4.631 4.120 -0.001 0.000 0.259 436 V C 0.841 177.008 176.094 0.121 0.000 1.133 436 V CA 1.017 63.377 62.300 0.099 0.000 1.128 436 V CB -0.025 31.880 31.823 0.137 0.000 0.757 436 V HN 0.721 nan 8.190 nan 0.000 0.469 437 G N -0.415 108.458 108.800 0.121 0.000 2.753 437 G HA2 0.574 4.534 3.960 -0.001 0.000 0.297 437 G HA3 0.574 4.534 3.960 -0.001 0.000 0.297 437 G C -1.990 172.913 174.900 0.005 0.000 1.430 437 G CA -0.534 44.615 45.100 0.082 0.000 1.040 437 G HN 0.207 nan 8.290 nan 0.000 0.530 438 F N 3.240 122.931 119.950 -0.432 0.000 2.536 438 F HA 0.658 5.185 4.527 -0.001 0.000 0.322 438 F C -0.695 174.732 175.800 -0.622 0.000 1.144 438 F CA -0.662 57.086 58.000 -0.421 0.000 0.924 438 F CB 1.579 40.361 39.000 -0.363 0.000 1.181 438 F HN 0.491 nan 8.300 nan 0.000 0.438 439 H N 5.140 123.959 119.070 -0.419 0.000 2.771 439 H HA 0.690 5.246 4.556 -0.001 0.000 0.361 439 H C -1.486 173.847 175.328 0.008 0.000 1.108 439 H CA -0.940 55.114 56.048 0.009 0.000 1.201 439 H CB 2.164 32.109 29.762 0.305 0.000 1.681 439 H HN 0.548 nan 8.280 nan 0.000 0.534 440 V N 4.186 124.320 119.914 0.366 0.000 2.808 440 V HA 0.335 4.455 4.120 -0.001 0.000 0.308 440 V C -1.614 174.764 176.094 0.473 0.000 1.099 440 V CA -0.771 61.761 62.300 0.386 0.000 0.920 440 V CB 2.410 34.486 31.823 0.421 0.000 1.014 440 V HN 0.523 nan 8.190 nan 0.000 0.425 441 L N 7.165 128.615 121.223 0.378 0.000 2.318 441 L HA 1.053 5.392 4.340 -0.001 0.000 0.277 441 L C -0.083 176.894 176.870 0.177 0.000 1.008 441 L CA 1.019 56.014 54.840 0.258 0.000 0.846 441 L CB 0.830 42.972 42.059 0.139 0.000 1.220 441 L HN 1.025 nan 8.230 nan 0.000 0.423 442 G N 3.916 112.845 108.800 0.216 0.000 2.342 442 G HA2 0.427 4.387 3.960 -0.001 0.000 0.297 442 G HA3 0.427 4.387 3.960 -0.001 0.000 0.297 442 G C -3.415 171.631 174.900 0.245 0.000 1.313 442 G CA -0.780 44.432 45.100 0.187 0.000 0.830 442 G HN 0.367 nan 8.290 nan 0.000 0.506 443 P HA 0.169 nan 4.420 nan 0.000 0.270 443 P C -0.004 177.438 177.300 0.237 0.000 1.223 443 P CA -0.145 63.112 63.100 0.262 0.000 0.785 443 P CB 0.270 32.113 31.700 0.239 0.000 0.923 444 N N -0.263 118.580 118.700 0.238 0.000 2.701 444 N HA -0.265 4.475 4.740 -0.001 0.000 0.250 444 N C 1.040 176.678 175.510 0.214 0.000 1.046 444 N CA 0.967 54.151 53.050 0.223 0.000 0.733 444 N CB -1.259 37.332 38.487 0.173 0.000 0.973 444 N HN 0.569 nan 8.380 nan 0.000 0.541 445 A N -0.122 122.824 122.820 0.210 0.000 2.024 445 A HA -0.033 4.287 4.320 -0.001 0.000 0.220 445 A C 2.265 179.933 177.584 0.140 0.000 1.164 445 A CA 2.053 54.206 52.037 0.194 0.000 0.643 445 A CB -0.615 18.486 19.000 0.169 0.000 0.806 445 A HN 0.533 nan 8.150 nan 0.000 0.451 446 G N -0.222 108.648 108.800 0.116 0.000 2.414 446 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.215 446 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.215 446 G C 1.319 176.299 174.900 0.134 0.000 1.188 446 G CA 0.857 46.030 45.100 0.122 0.000 0.783 446 G HN 0.515 nan 8.290 nan 0.000 0.537 447 E N 0.574 120.865 120.200 0.152 0.000 2.130 447 E HA -0.123 4.227 4.350 -0.001 0.000 0.196 447 E C 2.780 179.450 176.600 0.118 0.000 0.998 447 E CA 1.045 57.516 56.400 0.117 0.000 0.806 447 E CB -0.663 29.107 29.700 0.116 0.000 0.738 447 E HN 0.354 nan 8.360 nan 0.000 0.459 448 V N 1.269 121.287 119.914 0.172 0.000 2.379 448 V HA -0.166 3.954 4.120 -0.001 0.000 0.245 448 V C 2.343 178.581 176.094 0.239 0.000 1.044 448 V CA 1.982 64.430 62.300 0.246 0.000 1.036 448 V CB -0.690 31.325 31.823 0.319 0.000 0.664 448 V HN 0.264 nan 8.190 nan 0.000 0.453 449 T N -0.772 113.883 114.554 0.168 0.000 2.857 449 T HA -0.216 4.134 4.350 -0.001 0.000 0.266 449 T C 1.897 176.554 174.700 -0.072 0.000 1.048 449 T CA 1.535 63.654 62.100 0.031 0.000 1.139 449 T CB -0.203 68.713 68.868 0.080 0.000 0.874 449 T HN 0.406 nan 8.240 nan 0.000 0.455 450 Q N 1.343 121.131 119.800 -0.019 0.000 2.062 450 Q HA -0.121 4.219 4.340 -0.001 0.000 0.209 450 Q C 2.361 178.290 176.000 -0.118 0.000 0.996 450 Q CA 2.357 58.128 55.803 -0.054 0.000 0.859 450 Q CB -1.033 27.693 28.738 -0.021 0.000 0.920 450 Q HN 0.521 nan 8.270 nan 0.000 0.415 451 G N -1.431 107.276 108.800 -0.155 0.000 2.402 451 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 451 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 451 G C 1.059 175.731 174.900 -0.381 0.000 1.162 451 G CA 0.625 45.566 45.100 -0.266 0.000 0.777 451 G HN 0.397 nan 8.290 nan 0.000 0.539 452 F N 1.831 121.528 119.950 -0.421 0.000 2.216 452 F HA 0.052 4.578 4.527 -0.001 0.000 0.300 452 F C 2.981 178.479 175.800 -0.503 0.000 1.085 452 F CA 0.813 58.447 58.000 -0.610 0.000 1.326 452 F CB -0.207 38.011 39.000 -1.304 0.000 1.027 452 F HN 0.237 nan 8.300 nan 0.000 0.497 453 A N 0.066 122.725 122.820 -0.268 0.000 1.902 453 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 453 A C 2.427 179.928 177.584 -0.137 0.000 1.181 453 A CA 1.776 53.703 52.037 -0.184 0.000 0.623 453 A CB -1.292 17.629 19.000 -0.132 0.000 0.818 453 A HN 0.300 nan 8.150 nan 0.000 0.443 454 A N -0.368 122.364 122.820 -0.146 0.000 1.972 454 A HA 0.189 4.508 4.320 -0.001 0.000 0.219 454 A C 2.417 179.925 177.584 -0.126 0.000 1.169 454 A CA 1.931 53.894 52.037 -0.124 0.000 0.635 454 A CB -0.793 18.128 19.000 -0.130 0.000 0.810 454 A HN 1.012 nan 8.150 nan 0.000 0.446 455 A N -0.177 122.547 122.820 -0.160 0.000 1.929 455 A HA 0.055 4.374 4.320 -0.001 0.000 0.216 455 A C 2.074 179.614 177.584 -0.073 0.000 1.176 455 A CA 1.214 53.175 52.037 -0.127 0.000 0.628 455 A CB -0.492 18.414 19.000 -0.157 0.000 0.816 455 A HN 0.450 nan 8.150 nan 0.000 0.444 456 L N -0.705 120.476 121.223 -0.070 0.000 2.131 456 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 456 L C 2.363 179.214 176.870 -0.031 0.000 1.092 456 L CA 1.185 56.003 54.840 -0.036 0.000 0.759 456 L CB -0.585 41.453 42.059 -0.035 0.000 0.903 456 L HN 0.270 nan 8.230 nan 0.000 0.435 457 K N -0.036 120.337 120.400 -0.046 0.000 2.209 457 K HA -0.118 4.201 4.320 -0.001 0.000 0.204 457 K C 1.772 178.352 176.600 -0.034 0.000 1.048 457 K CA 1.040 57.304 56.287 -0.038 0.000 0.940 457 K CB -0.401 32.070 32.500 -0.049 0.000 0.729 457 K HN 0.408 nan 8.250 nan 0.000 0.451 458 C N 0.091 119.367 119.300 -0.041 0.000 2.673 458 C HA 0.258 4.717 4.460 -0.001 0.000 0.274 458 C C 1.211 176.186 174.990 -0.025 0.000 1.276 458 C CA 0.029 59.026 59.018 -0.036 0.000 1.701 458 C CB -0.874 26.838 27.740 -0.047 0.000 1.836 458 C HN 0.641 nan 8.230 nan 0.000 0.596 459 G N 1.198 109.987 108.800 -0.018 0.000 2.149 459 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.235 459 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.235 459 G C 0.007 174.902 174.900 -0.009 0.000 1.018 459 G CA 0.135 45.230 45.100 -0.009 0.000 0.728 459 G HN 0.562 nan 8.290 nan 0.000 0.508 460 L N 2.066 123.284 121.223 -0.009 0.000 2.678 460 L HA 0.441 4.781 4.340 -0.001 0.000 0.285 460 L C 1.134 178.008 176.870 0.008 0.000 1.233 460 L CA 1.498 56.338 54.840 0.000 0.000 0.920 460 L CB 0.331 42.400 42.059 0.016 0.000 1.176 460 L HN 0.642 nan 8.230 nan 0.000 0.495 461 T N 1.176 115.731 114.554 0.002 0.000 2.918 461 T HA 0.354 4.704 4.350 -0.001 0.000 0.286 461 T C 0.838 175.535 174.700 -0.005 0.000 1.026 461 T CA -0.611 61.488 62.100 -0.002 0.000 1.031 461 T CB 1.645 70.507 68.868 -0.010 0.000 1.046 461 T HN 0.593 nan 8.240 nan 0.000 0.479 462 K N 1.503 121.893 120.400 -0.017 0.000 2.127 462 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 462 K C 1.993 178.552 176.600 -0.068 0.000 1.047 462 K CA 1.817 58.065 56.287 -0.066 0.000 0.927 462 K CB -0.537 31.893 32.500 -0.117 0.000 0.716 462 K HN 0.724 nan 8.250 nan 0.000 0.450 463 K N -0.043 120.331 120.400 -0.043 0.000 2.097 463 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 463 K C 2.231 178.816 176.600 -0.025 0.000 1.049 463 K CA 1.684 57.949 56.287 -0.036 0.000 0.933 463 K CB -0.000 32.486 32.500 -0.023 0.000 0.717 463 K HN 0.321 nan 8.250 nan 0.000 0.442 464 Q N 0.131 119.921 119.800 -0.016 0.000 2.172 464 Q HA -0.138 4.202 4.340 -0.001 0.000 0.200 464 Q C 1.994 177.994 176.000 0.000 0.000 0.964 464 Q CA 0.768 56.564 55.803 -0.011 0.000 0.855 464 Q CB -0.000 28.730 28.738 -0.012 0.000 0.918 464 Q HN 0.184 nan 8.270 nan 0.000 0.444 465 L N 1.180 122.411 121.223 0.013 0.000 2.056 465 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 465 L C 1.326 178.214 176.870 0.029 0.000 1.078 465 L CA 1.875 56.747 54.840 0.053 0.000 0.749 465 L CB -0.316 41.790 42.059 0.079 0.000 0.901 465 L HN 0.054 nan 8.230 nan 0.000 0.433 466 D N -1.006 119.385 120.400 -0.016 0.000 2.178 466 D HA -0.139 4.500 4.640 -0.001 0.000 0.201 466 D C 2.341 178.633 176.300 -0.013 0.000 0.980 466 D CA 1.370 55.353 54.000 -0.027 0.000 0.842 466 D CB -0.082 40.685 40.800 -0.055 0.000 0.948 466 D HN 0.535 nan 8.370 nan 0.000 0.472 467 S N -0.652 115.041 115.700 -0.012 0.000 2.562 467 S HA -0.010 4.460 4.470 -0.001 0.000 0.221 467 S C 0.802 175.397 174.600 -0.008 0.000 0.975 467 S CA -0.041 58.152 58.200 -0.011 0.000 0.918 467 S CB -0.195 62.996 63.200 -0.014 0.000 0.772 467 S HN -0.054 nan 8.310 nan 0.000 0.531 468 T N 4.055 118.611 114.554 0.002 0.000 2.869 468 T HA 0.435 4.784 4.350 -0.001 0.000 0.295 468 T C -0.121 174.585 174.700 0.009 0.000 0.987 468 T CA -0.473 61.628 62.100 0.001 0.000 1.109 468 T CB 0.671 69.545 68.868 0.009 0.000 0.932 468 T HN 0.135 nan 8.240 nan 0.000 0.518 469 I N 2.717 123.287 120.570 -0.000 0.000 2.396 469 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 469 I C 1.232 177.357 176.117 0.013 0.000 0.999 469 I CA -0.554 60.747 61.300 0.001 0.000 1.310 469 I CB 0.766 38.763 38.000 -0.005 0.000 1.404 469 I HN 0.723 nan 8.210 nan 0.000 0.496 470 G N 6.079 114.889 108.800 0.016 0.000 2.572 470 G HA2 0.535 4.495 3.960 -0.001 0.000 0.261 470 G HA3 0.535 4.495 3.960 -0.001 0.000 0.261 470 G C -0.276 174.646 174.900 0.037 0.000 1.197 470 G CA -0.514 44.607 45.100 0.035 0.000 0.870 470 G HN 0.505 nan 8.290 nan 0.000 0.548 471 I N 0.257 120.860 120.570 0.055 0.000 2.353 471 I HA 0.262 4.431 4.170 -0.001 0.000 0.293 471 I C -0.223 175.968 176.117 0.124 0.000 0.992 471 I CA -0.619 60.720 61.300 0.065 0.000 1.268 471 I CB 1.623 39.650 38.000 0.045 0.000 1.387 471 I HN 0.486 nan 8.210 nan 0.000 0.478 472 H N 7.301 126.369 119.070 -0.004 0.000 2.572 472 H HA 0.596 5.151 4.556 -0.001 0.000 0.359 472 H C -2.503 172.821 175.328 -0.006 0.000 1.134 472 H CA -2.062 53.982 56.048 -0.007 0.000 1.187 472 H CB 1.840 31.598 29.762 -0.006 0.000 1.597 472 H HN 0.294 nan 8.280 nan 0.000 0.524 473 P HA 0.306 nan 4.420 nan 0.000 0.284 473 P C -1.463 175.799 177.300 -0.063 0.000 1.459 473 P CA -0.635 62.253 63.100 -0.352 0.000 0.982 473 P CB 0.791 32.032 31.700 -0.764 0.000 1.184 474 V N 0.275 120.215 119.914 0.044 0.000 3.040 474 V HA 0.344 4.464 4.120 -0.001 0.000 0.312 474 V C 1.150 177.243 176.094 -0.002 0.000 1.115 474 V CA -0.618 61.690 62.300 0.014 0.000 0.998 474 V CB 1.175 33.015 31.823 0.028 0.000 1.042 474 V HN 0.447 nan 8.190 nan 0.000 0.433 475 C N 1.988 121.272 119.300 -0.026 0.000 2.413 475 C HA -0.024 4.436 4.460 -0.001 0.000 0.276 475 C C 3.061 177.909 174.990 -0.237 0.000 1.248 475 C CA 1.730 60.664 59.018 -0.140 0.000 1.742 475 C CB -1.592 26.153 27.740 0.009 0.000 2.017 475 C HN 1.151 nan 8.230 nan 0.000 0.481 476 A N 1.511 124.325 122.820 -0.009 0.000 2.024 476 A HA -0.232 4.088 4.320 -0.001 0.000 0.220 476 A C 2.109 179.771 177.584 0.130 0.000 1.164 476 A CA 1.869 53.998 52.037 0.153 0.000 0.643 476 A CB -0.790 18.401 19.000 0.318 0.000 0.806 476 A HN 0.853 nan 8.150 nan 0.000 0.451 477 E N -0.092 120.131 120.200 0.038 0.000 2.273 477 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 477 E C 1.561 178.129 176.600 -0.053 0.000 1.002 477 E CA 1.342 57.762 56.400 0.034 0.000 0.828 477 E CB -0.693 29.022 29.700 0.025 0.000 0.747 477 E HN 0.323 nan 8.360 nan 0.000 0.491 478 V N 0.143 119.908 119.914 -0.247 0.000 2.568 478 V HA -0.219 3.901 4.120 -0.001 0.000 0.253 478 V C 1.494 177.351 176.094 -0.395 0.000 1.072 478 V CA 1.571 63.626 62.300 -0.408 0.000 1.084 478 V CB -0.601 30.730 31.823 -0.819 0.000 0.676 478 V HN 0.310 nan 8.190 nan 0.000 0.469 479 F N -0.015 119.846 119.950 -0.149 0.000 2.558 479 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 479 F C 2.457 178.247 175.800 -0.017 0.000 1.119 479 F CA 1.507 59.433 58.000 -0.125 0.000 1.451 479 F CB -0.740 38.118 39.000 -0.237 0.000 1.091 479 F HN 0.071 nan 8.300 nan 0.000 0.563 480 T N -1.175 113.471 114.554 0.154 0.000 2.951 480 T HA -0.090 4.260 4.350 -0.001 0.000 0.268 480 T C 1.512 176.224 174.700 0.020 0.000 1.073 480 T CA 1.812 63.975 62.100 0.105 0.000 1.134 480 T CB -0.244 68.678 68.868 0.090 0.000 0.884 480 T HN 0.294 nan 8.240 nan 0.000 0.479 481 T N -0.097 114.444 114.554 -0.022 0.000 3.380 481 T HA 0.459 4.809 4.350 -0.001 0.000 0.289 481 T C 0.071 174.743 174.700 -0.048 0.000 1.012 481 T CA -0.428 61.647 62.100 -0.040 0.000 0.944 481 T CB -0.600 68.242 68.868 -0.045 0.000 1.172 481 T HN 0.125 nan 8.240 nan 0.000 0.502 482 L N 2.694 123.881 121.223 -0.059 0.000 2.433 482 L HA 0.358 4.697 4.340 -0.001 0.000 0.275 482 L C 1.361 178.238 176.870 0.011 0.000 1.128 482 L CA -0.282 54.544 54.840 -0.024 0.000 0.875 482 L CB 0.721 42.776 42.059 -0.005 0.000 1.171 482 L HN 0.519 nan 8.230 nan 0.000 0.463 483 S N 0.983 116.746 115.700 0.105 0.000 2.589 483 S HA 0.145 4.614 4.470 -0.001 0.000 0.235 483 S C 0.280 175.033 174.600 0.255 0.000 1.051 483 S CA -0.391 57.906 58.200 0.162 0.000 0.978 483 S CB 0.470 63.717 63.200 0.078 0.000 0.929 483 S HN 0.234 nan 8.310 nan 0.000 0.523 484 V N 4.280 124.327 119.914 0.221 0.000 2.385 484 V HA 0.490 4.610 4.120 -0.001 0.000 0.269 484 V C 0.664 176.844 176.094 0.143 0.000 1.043 484 V CA -0.212 62.191 62.300 0.172 0.000 0.906 484 V CB 0.500 32.408 31.823 0.143 0.000 0.995 484 V HN 0.615 nan 8.190 nan 0.000 0.467 485 T N 1.428 115.963 114.554 -0.031 0.000 2.909 485 T HA 0.335 4.685 4.350 -0.001 0.000 0.289 485 T C 0.932 175.513 174.700 -0.198 0.000 1.005 485 T CA -0.580 61.352 62.100 -0.280 0.000 1.084 485 T CB 1.511 70.144 68.868 -0.392 0.000 0.975 485 T HN 0.556 nan 8.240 nan 0.000 0.509 486 K N 0.799 120.980 120.400 -0.366 0.000 2.057 486 K HA -0.068 4.252 4.320 -0.001 0.000 0.207 486 K C 2.557 179.067 176.600 -0.149 0.000 1.049 486 K CA 1.034 57.125 56.287 -0.326 0.000 0.931 486 K CB -0.109 32.143 32.500 -0.413 0.000 0.714 486 K HN 0.649 nan 8.250 nan 0.000 0.440 487 R N 0.302 120.709 120.500 -0.155 0.000 2.105 487 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 487 R C 2.206 178.471 176.300 -0.058 0.000 1.135 487 R CA 1.906 57.949 56.100 -0.095 0.000 0.967 487 R CB -0.277 29.965 30.300 -0.097 0.000 0.861 487 R HN 0.334 nan 8.270 nan 0.000 0.442 488 S N -1.219 114.447 115.700 -0.056 0.000 2.440 488 S HA -0.059 4.410 4.470 -0.001 0.000 0.238 488 S C 1.580 176.182 174.600 0.003 0.000 1.010 488 S CA 1.320 59.508 58.200 -0.019 0.000 0.972 488 S CB -0.156 63.040 63.200 -0.006 0.000 0.774 488 S HN 0.633 nan 8.310 nan 0.000 0.501 489 G N 0.962 109.769 108.800 0.011 0.000 2.267 489 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.257 489 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.257 489 G C 0.387 175.315 174.900 0.047 0.000 0.998 489 G CA 0.190 45.306 45.100 0.027 0.000 0.620 489 G HN 1.499 nan 8.290 nan 0.000 0.529 490 A N 0.336 123.187 122.820 0.051 0.000 2.507 490 A HA 0.599 4.918 4.320 -0.001 0.000 0.235 490 A C 0.942 178.570 177.584 0.073 0.000 1.070 490 A CA 1.235 53.306 52.037 0.056 0.000 0.768 490 A CB 0.288 19.320 19.000 0.054 0.000 1.011 490 A HN 1.109 nan 8.150 nan 0.000 0.502 491 S N -0.181 115.553 115.700 0.056 0.000 2.580 491 S HA 0.394 4.863 4.470 -0.001 0.000 0.274 491 S C 0.896 175.525 174.600 0.048 0.000 1.329 491 S CA 0.065 58.299 58.200 0.056 0.000 1.036 491 S CB 0.298 63.526 63.200 0.046 0.000 0.919 491 S HN 0.715 nan 8.310 nan 0.000 0.515 492 I N 0.526 121.121 120.570 0.042 0.000 3.856 492 I HA 0.366 4.536 4.170 -0.001 0.000 0.330 492 I C -0.359 175.853 176.117 0.159 0.000 1.546 492 I CA -0.371 60.942 61.300 0.021 0.000 1.132 492 I CB -0.197 37.678 38.000 -0.209 0.000 1.157 492 I HN 0.298 nan 8.210 nan 0.000 0.440 493 L N 0.749 122.057 121.223 0.141 0.000 2.474 493 L HA 0.323 4.663 4.340 -0.001 0.000 0.259 493 L C 0.395 177.306 176.870 0.068 0.000 1.232 493 L CA 0.038 54.938 54.840 0.100 0.000 0.821 493 L CB 0.036 42.103 42.059 0.014 0.000 1.108 493 L HN 0.278 nan 8.230 nan 0.000 0.495 494 Q N 0.000 119.811 119.800 0.018 0.000 2.315 494 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 494 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 494 Q CB 0.000 28.768 28.738 0.050 0.000 1.108 494 Q HN 0.000 nan 8.270 nan 0.000 0.481