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 3a24_1_A DATA FIRST_RESID 22 DATA SEQUENCE RHMELSPDGN LKTTITIGDR LTYDITCNGR QILTPSPISM TLDNGTVWGE DATA SEQUENCE NAKLSGTSRK SVDEMIPSPF YRASELRNHY NGLTLRFKKD WNVEFRAYND DATA SEQUENCE GIAYRFVNQG KKPFRVVTEV SDYCFPSDMT ASVPYVKSGK DGDYNSQFFN DATA SEQUENCE SFENTYTTDK LSKLNKQRLM FLPLVVDAGD GVKVCITESD LENYPGLYLS DATA SEQUENCE ASEGANRLSS MHAPYPKRTV QGGHNQLQML VKEHEDYIAK VDKPRNFPWR DATA SEQUENCE IAVVTTTDKD LAATNLSYLL GAPSRMSDLS WIKPGKVAWD WWNDWNLDGV DATA SEQUENCE DFVTGVNNPT YKAYIDFASA NGIEYVILDE GWAVNLQADL MQVVKEIDLK DATA SEQUENCE ELVDYAASKN VGIILWAGYH AFERDMENVC RHYAEMGVKG FKVDFMDRDD DATA SEQUENCE QEMTAFNYRA AEMCAKYKLI LDLHGTHKPA GLNRTYPNVL NFEGVNGLEQ DATA SEQUENCE MKWSSPSVDQ VKYDVMIPFI RQVSGPMDYT QGAMRNASKG NYYPCYSEPM DATA SEQUENCE SQGTRCRQLA LYVVFESPFN MLCDTPSNYM REPESTAFIA EIPTVWDESI DATA SEQUENCE VLDGKMGEYI VTARRKGDVW YVGGITDWSA RDIEVDCSFL GDKSYHATLF DATA SEQUENCE KDGVNAHRAG RDYKCESFPI KKDGKLKVHL APGGGFALKI K 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.163 176.300 -0.229 0.000 0.893 22 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 22 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 23 H N 3.125 122.158 119.070 -0.062 0.000 2.589 23 H HA 0.496 5.053 4.556 0.001 0.000 0.351 23 H C -0.137 175.135 175.328 -0.093 0.000 1.074 23 H CA -0.660 55.342 56.048 -0.077 0.000 1.203 23 H CB 1.607 31.313 29.762 -0.092 0.000 1.558 23 H HN 0.110 nan 8.280 nan 0.000 0.522 24 M N 1.742 121.350 119.600 0.013 0.000 2.404 24 M HA 0.384 4.864 4.480 0.001 0.000 0.338 24 M C -0.329 175.967 176.300 -0.006 0.000 1.150 24 M CA -0.336 54.958 55.300 -0.011 0.000 1.016 24 M CB 1.625 34.214 32.600 -0.018 0.000 1.672 24 M HN 0.750 nan 8.290 nan 0.000 0.448 25 E N 2.314 122.507 120.200 -0.012 0.000 2.291 25 E HA 0.579 4.930 4.350 0.001 0.000 0.276 25 E C -2.063 174.548 176.600 0.019 0.000 0.896 25 E CA -0.551 55.852 56.400 0.006 0.000 0.774 25 E CB 1.945 31.652 29.700 0.013 0.000 1.227 25 E HN 0.442 nan 8.360 nan 0.000 0.413 26 L N 2.295 123.527 121.223 0.015 0.000 2.333 26 L HA 0.472 4.813 4.340 0.001 0.000 0.269 26 L C 0.104 176.976 176.870 0.003 0.000 1.010 26 L CA -0.592 54.257 54.840 0.016 0.000 0.818 26 L CB 1.817 43.880 42.059 0.007 0.000 1.306 26 L HN 0.628 nan 8.230 nan 0.000 0.430 27 S N 0.764 116.468 115.700 0.007 0.000 2.584 27 S HA 0.271 4.742 4.470 0.001 0.000 0.270 27 S C -1.948 172.608 174.600 -0.074 0.000 1.346 27 S CA -0.782 57.403 58.200 -0.024 0.000 1.018 27 S CB 0.458 63.667 63.200 0.015 0.000 0.899 27 S HN 0.517 nan 8.310 nan 0.000 0.542 28 P HA -0.169 nan 4.420 nan 0.000 0.217 28 P C 0.657 177.917 177.300 -0.068 0.000 1.148 28 P CA 1.744 64.719 63.100 -0.208 0.000 0.834 28 P CB -0.178 31.142 31.700 -0.633 0.000 0.783 29 D N -2.649 117.729 120.400 -0.036 0.000 2.340 29 D HA 0.112 4.753 4.640 0.001 0.000 0.220 29 D C 1.404 177.711 176.300 0.011 0.000 1.039 29 D CA 0.525 54.532 54.000 0.011 0.000 0.866 29 D CB -1.104 39.715 40.800 0.032 0.000 0.913 29 D HN 0.177 nan 8.370 nan 0.000 0.523 30 G N 0.679 109.480 108.800 0.002 0.000 2.175 30 G HA2 -0.375 3.586 3.960 0.001 0.000 0.265 30 G HA3 -0.375 3.586 3.960 0.001 0.000 0.265 30 G C 0.975 175.887 174.900 0.020 0.000 0.979 30 G CA 0.489 45.594 45.100 0.009 0.000 0.663 30 G HN 0.407 nan 8.290 nan 0.000 0.533 31 N N -0.794 117.922 118.700 0.026 0.000 2.353 31 N HA 0.202 4.943 4.740 0.001 0.000 0.185 31 N C 0.262 175.798 175.510 0.043 0.000 1.098 31 N CA 0.414 53.484 53.050 0.033 0.000 0.872 31 N CB 0.592 39.100 38.487 0.035 0.000 0.970 31 N HN 0.511 nan 8.380 nan 0.000 0.467 32 L N 1.381 122.633 121.223 0.049 0.000 2.376 32 L HA 0.367 4.708 4.340 0.001 0.000 0.275 32 L C -0.819 176.090 176.870 0.065 0.000 0.987 32 L CA -0.507 54.374 54.840 0.067 0.000 0.828 32 L CB 1.203 43.314 42.059 0.086 0.000 1.249 32 L HN 0.016 nan 8.230 nan 0.000 0.409 33 K N 1.603 122.044 120.400 0.069 0.000 2.502 33 K HA 0.735 5.055 4.320 0.001 0.000 0.257 33 K C -1.372 175.273 176.600 0.075 0.000 0.938 33 K CA -0.733 55.590 56.287 0.060 0.000 0.819 33 K CB 2.114 34.635 32.500 0.036 0.000 1.333 33 K HN 0.402 nan 8.250 nan 0.000 0.434 34 T N 0.917 115.509 114.554 0.064 0.000 2.812 34 T HA 0.340 4.691 4.350 0.001 0.000 0.282 34 T C -1.090 173.603 174.700 -0.012 0.000 0.990 34 T CA -0.331 61.809 62.100 0.067 0.000 0.960 34 T CB 1.360 70.297 68.868 0.116 0.000 0.948 34 T HN 0.577 nan 8.240 nan 0.000 0.438 35 T N 6.113 120.664 114.554 -0.005 0.000 2.749 35 T HA 0.538 4.888 4.350 0.001 0.000 0.287 35 T C -0.066 174.605 174.700 -0.049 0.000 0.970 35 T CA -0.346 61.737 62.100 -0.029 0.000 0.980 35 T CB 0.166 69.027 68.868 -0.013 0.000 0.924 35 T HN 0.534 nan 8.240 nan 0.000 0.456 36 I N 3.061 123.579 120.570 -0.086 0.000 2.354 36 I HA 0.346 4.516 4.170 0.001 0.000 0.292 36 I C 0.299 176.438 176.117 0.035 0.000 0.989 36 I CA -0.548 60.692 61.300 -0.099 0.000 1.188 36 I CB 1.664 39.477 38.000 -0.312 0.000 1.342 36 I HN 0.471 nan 8.210 nan 0.000 0.457 37 T N 6.994 121.579 114.554 0.052 0.000 2.792 37 T HA 0.543 4.894 4.350 0.001 0.000 0.280 37 T C -0.001 174.766 174.700 0.111 0.000 0.990 37 T CA -0.312 61.838 62.100 0.083 0.000 0.960 37 T CB 1.131 70.027 68.868 0.046 0.000 0.939 37 T HN 0.298 nan 8.240 nan 0.000 0.439 38 I N 3.646 124.305 120.570 0.150 0.000 2.377 38 I HA 0.447 4.618 4.170 0.001 0.000 0.282 38 I C 0.951 177.146 176.117 0.130 0.000 1.091 38 I CA -0.267 61.135 61.300 0.171 0.000 1.207 38 I CB 0.335 38.480 38.000 0.242 0.000 1.429 38 I HN 0.770 nan 8.210 nan 0.000 0.491 39 G N 3.596 112.455 108.800 0.097 0.000 3.286 39 G HA2 0.100 4.060 3.960 0.001 0.000 0.166 39 G HA3 0.100 4.060 3.960 0.001 0.000 0.166 39 G C 0.743 175.684 174.900 0.068 0.000 1.155 39 G CA -0.005 45.139 45.100 0.074 0.000 0.871 39 G HN 0.504 nan 8.290 nan 0.000 0.637 40 D N -0.199 120.230 120.400 0.050 0.000 2.221 40 D HA -0.071 4.569 4.640 0.001 0.000 0.204 40 D C 0.493 176.819 176.300 0.043 0.000 0.982 40 D CA 0.822 54.848 54.000 0.043 0.000 0.857 40 D CB 0.280 41.099 40.800 0.030 0.000 0.934 40 D HN 0.170 nan 8.370 nan 0.000 0.475 41 R N -0.472 120.055 120.500 0.045 0.000 2.795 41 R HA 0.473 4.814 4.340 0.001 0.000 0.275 41 R C -1.163 175.172 176.300 0.059 0.000 0.981 41 R CA -1.121 55.005 56.100 0.043 0.000 0.917 41 R CB 1.837 32.152 30.300 0.026 0.000 1.202 41 R HN 0.001 nan 8.270 nan 0.000 0.469 42 L N 2.053 123.317 121.223 0.068 0.000 2.259 42 L HA 0.310 4.650 4.340 0.001 0.000 0.288 42 L C -0.313 176.606 176.870 0.083 0.000 1.051 42 L CA 0.284 55.177 54.840 0.089 0.000 0.824 42 L CB 0.841 42.957 42.059 0.096 0.000 1.206 42 L HN 0.793 nan 8.230 nan 0.000 0.429 43 T N 1.871 116.469 114.554 0.073 0.000 2.924 43 T HA 0.747 5.097 4.350 0.001 0.000 0.291 43 T C -0.792 173.966 174.700 0.097 0.000 1.045 43 T CA -0.607 61.522 62.100 0.048 0.000 1.015 43 T CB 1.728 70.582 68.868 -0.023 0.000 1.103 43 T HN 0.495 nan 8.240 nan 0.000 0.496 44 Y N -0.058 120.205 120.300 -0.061 0.000 2.479 44 Y HA 0.694 5.245 4.550 0.001 0.000 0.338 44 Y C -1.216 174.660 175.900 -0.041 0.000 1.055 44 Y CA -1.202 56.850 58.100 -0.079 0.000 1.023 44 Y CB 1.345 39.771 38.460 -0.056 0.000 1.287 44 Y HN 0.885 nan 8.280 nan 0.000 0.447 45 D N 3.291 123.644 120.400 -0.078 0.000 2.621 45 D HA 0.668 5.309 4.640 0.001 0.000 0.255 45 D C -0.991 175.333 176.300 0.040 0.000 1.122 45 D CA -0.704 53.218 54.000 -0.131 0.000 1.096 45 D CB 2.093 42.845 40.800 -0.081 0.000 1.282 45 D HN 0.697 nan 8.370 nan 0.000 0.619 46 I N -0.822 119.767 120.570 0.032 0.000 2.607 46 I HA 0.309 4.480 4.170 0.001 0.000 0.290 46 I C -0.959 175.201 176.117 0.072 0.000 1.129 46 I CA -0.608 60.754 61.300 0.103 0.000 1.042 46 I CB 2.505 40.599 38.000 0.155 0.000 1.242 46 I HN 0.227 nan 8.210 nan 0.000 0.421 47 T N 4.127 118.726 114.554 0.074 0.000 2.841 47 T HA 0.282 4.633 4.350 0.001 0.000 0.285 47 T C -1.090 173.648 174.700 0.064 0.000 0.991 47 T CA -0.370 61.765 62.100 0.058 0.000 0.966 47 T CB 1.516 70.408 68.868 0.041 0.000 0.962 47 T HN 0.644 nan 8.240 nan 0.000 0.438 48 C N 5.477 124.814 119.300 0.062 0.000 2.301 48 C HA 0.490 4.951 4.460 0.001 0.000 0.323 48 C C 0.343 175.361 174.990 0.047 0.000 1.265 48 C CA -0.588 58.466 59.018 0.060 0.000 1.503 48 C CB -1.294 26.487 27.740 0.068 0.000 2.195 48 C HN 0.991 nan 8.230 nan 0.000 0.477 49 N N 4.059 122.783 118.700 0.041 0.000 2.725 49 N HA -0.186 4.555 4.740 0.001 0.000 0.251 49 N C 1.015 176.542 175.510 0.030 0.000 1.031 49 N CA 1.831 54.901 53.050 0.033 0.000 0.720 49 N CB -1.310 37.196 38.487 0.031 0.000 0.930 49 N HN 1.731 nan 8.380 nan 0.000 0.543 50 G N -0.951 107.867 108.800 0.029 0.000 2.245 50 G HA2 -0.386 3.575 3.960 0.001 0.000 0.264 50 G HA3 -0.386 3.575 3.960 0.001 0.000 0.264 50 G C 0.133 175.050 174.900 0.027 0.000 0.985 50 G CA 0.670 45.785 45.100 0.025 0.000 0.625 50 G HN 0.601 nan 8.290 nan 0.000 0.536 51 R N 1.005 121.525 120.500 0.033 0.000 2.265 51 R HA 0.400 4.741 4.340 0.001 0.000 0.319 51 R C 0.125 176.451 176.300 0.044 0.000 1.006 51 R CA -0.467 55.655 56.100 0.036 0.000 0.880 51 R CB 0.662 30.985 30.300 0.038 0.000 1.077 51 R HN 0.407 nan 8.270 nan 0.000 0.454 52 Q N 5.240 125.064 119.800 0.040 0.000 2.307 52 Q HA 0.077 4.418 4.340 0.001 0.000 0.261 52 Q C 1.010 177.046 176.000 0.059 0.000 1.051 52 Q CA -0.009 55.819 55.803 0.041 0.000 0.911 52 Q CB 0.548 29.301 28.738 0.025 0.000 1.227 52 Q HN 0.789 nan 8.270 nan 0.000 0.418 53 I N 1.383 121.999 120.570 0.077 0.000 3.783 53 I HA 0.267 4.438 4.170 0.001 0.000 0.310 53 I C -0.434 175.763 176.117 0.133 0.000 1.274 53 I CA -0.067 61.309 61.300 0.126 0.000 1.294 53 I CB 0.547 38.634 38.000 0.145 0.000 1.051 53 I HN 0.371 nan 8.210 nan 0.000 0.435 54 L N 2.554 123.793 121.223 0.027 0.000 2.439 54 L HA 0.477 4.818 4.340 0.001 0.000 0.270 54 L C 0.197 176.990 176.870 -0.128 0.000 0.972 54 L CA -0.166 54.601 54.840 -0.122 0.000 0.836 54 L CB 1.839 43.806 42.059 -0.153 0.000 1.255 54 L HN 0.296 nan 8.230 nan 0.000 0.404 55 T N 2.316 116.783 114.554 -0.145 0.000 2.828 55 T HA 0.510 4.860 4.350 0.001 0.000 0.290 55 T C -2.525 172.069 174.700 -0.178 0.000 1.019 55 T CA -1.706 60.327 62.100 -0.112 0.000 1.031 55 T CB 0.530 69.356 68.868 -0.069 0.000 1.001 55 T HN 0.438 nan 8.240 nan 0.000 0.531 56 P HA 0.122 nan 4.420 nan 0.000 0.258 56 P C -0.824 176.351 177.300 -0.208 0.000 1.172 56 P CA 0.325 63.329 63.100 -0.160 0.000 0.762 56 P CB 0.106 31.756 31.700 -0.083 0.000 0.764 57 S N 6.034 121.531 115.700 -0.339 0.000 2.519 57 S HA 0.492 4.963 4.470 0.001 0.000 0.309 57 S C -2.435 172.036 174.600 -0.214 0.000 1.100 57 S CA -1.482 56.517 58.200 -0.335 0.000 1.059 57 S CB 1.378 64.249 63.200 -0.548 0.000 1.008 57 S HN 0.339 nan 8.310 nan 0.000 0.478 58 P HA 0.397 nan 4.420 nan 0.000 0.275 58 P C -0.811 176.504 177.300 0.024 0.000 1.228 58 P CA -0.422 62.668 63.100 -0.017 0.000 0.786 58 P CB 0.464 32.159 31.700 -0.008 0.000 0.927 59 I N -0.900 119.715 120.570 0.076 0.000 2.722 59 I HA 0.789 4.960 4.170 0.001 0.000 0.295 59 I C -0.808 175.449 176.117 0.234 0.000 1.161 59 I CA -0.834 60.558 61.300 0.153 0.000 1.032 59 I CB 2.544 40.565 38.000 0.034 0.000 1.244 59 I HN 0.487 nan 8.210 nan 0.000 0.421 60 S N 4.433 120.271 115.700 0.230 0.000 2.627 60 S HA 0.687 5.157 4.470 0.001 0.000 0.268 60 S C -1.312 173.087 174.600 -0.336 0.000 1.130 60 S CA -1.040 57.180 58.200 0.032 0.000 0.819 60 S CB 1.663 64.838 63.200 -0.041 0.000 1.100 60 S HN 0.787 nan 8.310 nan 0.000 0.465 61 M N 1.464 120.696 119.600 -0.613 0.000 2.267 61 M HA 0.439 4.919 4.480 0.001 0.000 0.289 61 M C -1.319 174.546 176.300 -0.725 0.000 1.043 61 M CA -0.298 54.552 55.300 -0.750 0.000 0.928 61 M CB 2.782 34.712 32.600 -1.116 0.000 1.613 61 M HN 0.787 nan 8.290 nan 0.000 0.450 62 T N 4.068 118.304 114.554 -0.530 0.000 2.749 62 T HA 0.600 4.951 4.350 0.001 0.000 0.287 62 T C -0.415 174.010 174.700 -0.459 0.000 0.970 62 T CA -0.577 61.248 62.100 -0.459 0.000 0.980 62 T CB 0.599 69.304 68.868 -0.272 0.000 0.924 62 T HN 0.265 nan 8.240 nan 0.000 0.456 63 L N 3.230 124.129 121.223 -0.540 0.000 2.399 63 L HA 0.356 4.697 4.340 0.001 0.000 0.265 63 L C 1.712 178.435 176.870 -0.246 0.000 1.089 63 L CA -0.416 54.172 54.840 -0.420 0.000 0.802 63 L CB 0.653 42.324 42.059 -0.647 0.000 1.180 63 L HN 0.607 nan 8.230 nan 0.000 0.454 64 D N -0.122 120.186 120.400 -0.153 0.000 2.263 64 D HA -0.185 4.456 4.640 0.001 0.000 0.208 64 D C 0.890 177.127 176.300 -0.105 0.000 0.971 64 D CA 1.199 55.131 54.000 -0.112 0.000 0.867 64 D CB -0.601 40.127 40.800 -0.120 0.000 0.929 64 D HN 0.662 nan 8.370 nan 0.000 0.492 65 N N -0.814 117.809 118.700 -0.128 0.000 2.383 65 N HA 0.147 4.888 4.740 0.001 0.000 0.192 65 N C 1.537 176.979 175.510 -0.114 0.000 1.141 65 N CA 0.617 53.604 53.050 -0.105 0.000 0.851 65 N CB 0.380 38.806 38.487 -0.100 0.000 0.976 65 N HN 0.300 nan 8.380 nan 0.000 0.465 66 G N -1.422 107.292 108.800 -0.143 0.000 2.234 66 G HA2 -0.287 3.673 3.960 0.001 0.000 0.235 66 G HA3 -0.287 3.673 3.960 0.001 0.000 0.235 66 G C 0.232 175.029 174.900 -0.173 0.000 0.997 66 G CA 0.289 45.310 45.100 -0.132 0.000 0.623 66 G HN 0.455 nan 8.290 nan 0.000 0.514 67 T N 0.734 115.150 114.554 -0.229 0.000 2.932 67 T HA 0.438 4.789 4.350 0.001 0.000 0.312 67 T C 0.164 174.619 174.700 -0.407 0.000 1.071 67 T CA 0.734 62.672 62.100 -0.270 0.000 1.128 67 T CB 2.114 70.794 68.868 -0.313 0.000 0.984 67 T HN 0.751 nan 8.240 nan 0.000 0.549 68 V N 3.848 123.564 119.914 -0.331 0.000 2.439 68 V HA 0.177 4.297 4.120 0.001 0.000 0.277 68 V C -0.775 175.128 176.094 -0.318 0.000 1.008 68 V CA -1.146 60.928 62.300 -0.376 0.000 0.846 68 V CB 0.824 32.518 31.823 -0.215 0.000 1.031 68 V HN 0.824 nan 8.190 nan 0.000 0.441 69 W N 3.837 124.710 121.300 -0.712 0.000 2.469 69 W HA 0.538 5.199 4.660 0.001 0.000 0.321 69 W C 1.217 177.370 176.519 -0.609 0.000 1.415 69 W CA 0.720 57.349 57.345 -1.194 0.000 1.308 69 W CB 0.039 28.275 29.460 -2.041 0.000 1.368 69 W HN 0.895 nan 8.180 nan 0.000 0.546 70 G N 2.229 110.984 108.800 -0.075 0.000 2.617 70 G HA2 -0.212 3.748 3.960 0.001 0.000 0.197 70 G HA3 -0.212 3.748 3.960 0.001 0.000 0.197 70 G C 0.005 174.933 174.900 0.047 0.000 1.017 70 G CA -0.670 44.463 45.100 0.055 0.000 0.713 70 G HN 0.393 nan 8.290 nan 0.000 0.481 71 E N 1.980 122.190 120.200 0.018 0.000 2.152 71 E HA 0.378 4.729 4.350 0.001 0.000 0.285 71 E C 0.031 176.669 176.600 0.064 0.000 1.043 71 E CA -0.506 55.909 56.400 0.025 0.000 0.839 71 E CB 0.200 29.893 29.700 -0.010 0.000 1.069 71 E HN 0.324 nan 8.360 nan 0.000 0.399 72 N N 1.599 120.342 118.700 0.072 0.000 2.699 72 N HA -0.229 4.511 4.740 0.001 0.000 0.256 72 N C -0.601 174.991 175.510 0.136 0.000 0.993 72 N CA 0.729 53.833 53.050 0.090 0.000 0.759 72 N CB -0.995 37.534 38.487 0.070 0.000 0.906 72 N HN 0.486 nan 8.380 nan 0.000 0.541 73 A N 0.389 123.307 122.820 0.163 0.000 2.466 73 A HA 0.302 4.622 4.320 0.001 0.000 0.238 73 A C 0.745 178.499 177.584 0.284 0.000 1.074 73 A CA 0.328 52.509 52.037 0.240 0.000 0.774 73 A CB 0.514 19.554 19.000 0.066 0.000 1.015 73 A HN 0.246 nan 8.150 nan 0.000 0.498 74 K N 1.255 121.854 120.400 0.332 0.000 2.404 74 K HA 0.426 4.747 4.320 0.001 0.000 0.257 74 K C -0.958 175.759 176.600 0.195 0.000 1.026 74 K CA -0.367 56.056 56.287 0.226 0.000 0.951 74 K CB 0.744 33.335 32.500 0.152 0.000 1.203 74 K HN 0.560 nan 8.250 nan 0.000 0.446 75 L N 3.011 124.289 121.223 0.091 0.000 2.410 75 L HA 0.152 4.492 4.340 0.001 0.000 0.273 75 L C 0.880 177.626 176.870 -0.207 0.000 1.144 75 L CA 0.912 55.611 54.840 -0.235 0.000 0.863 75 L CB 0.859 42.787 42.059 -0.219 0.000 1.140 75 L HN 0.783 nan 8.230 nan 0.000 0.463 76 S N 2.274 117.790 115.700 -0.307 0.000 2.514 76 S HA 0.610 5.081 4.470 0.001 0.000 0.223 76 S C 0.589 175.068 174.600 -0.201 0.000 1.046 76 S CA 0.205 58.284 58.200 -0.202 0.000 0.914 76 S CB 0.224 63.313 63.200 -0.186 0.000 0.807 76 S HN 0.978 nan 8.310 nan 0.000 0.497 77 G N 0.377 109.008 108.800 -0.282 0.000 2.489 77 G HA2 0.482 4.442 3.960 0.001 0.000 0.291 77 G HA3 0.482 4.442 3.960 0.001 0.000 0.291 77 G C -1.259 173.480 174.900 -0.269 0.000 1.487 77 G CA -0.071 44.897 45.100 -0.220 0.000 0.795 77 G HN 0.721 nan 8.290 nan 0.000 0.513 78 T N -2.067 112.378 114.554 -0.183 0.000 2.916 78 T HA 0.838 5.189 4.350 0.001 0.000 0.305 78 T C -0.400 174.241 174.700 -0.097 0.000 1.119 78 T CA -0.061 61.937 62.100 -0.171 0.000 1.008 78 T CB 1.738 70.516 68.868 -0.150 0.000 1.129 78 T HN 1.950 nan 8.240 nan 0.000 0.480 79 S N 1.867 117.521 115.700 -0.076 0.000 2.619 79 S HA 0.706 5.177 4.470 0.001 0.000 0.280 79 S C -0.709 173.883 174.600 -0.013 0.000 1.150 79 S CA -1.137 57.038 58.200 -0.041 0.000 0.978 79 S CB 1.515 64.691 63.200 -0.040 0.000 1.041 79 S HN 0.904 nan 8.310 nan 0.000 0.485 80 R N 1.534 122.031 120.500 -0.004 0.000 2.643 80 R HA 0.742 5.082 4.340 0.001 0.000 0.272 80 R C -0.482 175.823 176.300 0.007 0.000 0.995 80 R CA -0.939 55.169 56.100 0.012 0.000 1.032 80 R CB 1.484 31.789 30.300 0.008 0.000 1.126 80 R HN 0.872 nan 8.270 nan 0.000 0.505 81 K N -0.785 119.621 120.400 0.011 0.000 2.575 81 K HA 0.434 4.755 4.320 0.001 0.000 0.279 81 K C -1.540 175.015 176.600 -0.074 0.000 0.969 81 K CA -0.867 55.408 56.287 -0.021 0.000 0.868 81 K CB 2.073 34.573 32.500 -0.001 0.000 1.457 81 K HN 0.391 nan 8.250 nan 0.000 0.426 82 S N 1.077 116.704 115.700 -0.121 0.000 2.659 82 S HA 0.483 4.954 4.470 0.001 0.000 0.312 82 S C -1.058 173.395 174.600 -0.244 0.000 1.114 82 S CA -0.704 57.384 58.200 -0.186 0.000 1.063 82 S CB 1.536 64.677 63.200 -0.097 0.000 0.996 82 S HN 0.388 nan 8.310 nan 0.000 0.478 83 V N 2.809 122.442 119.914 -0.469 0.000 2.680 83 V HA 0.648 4.768 4.120 0.001 0.000 0.309 83 V C -0.982 174.972 176.094 -0.234 0.000 1.052 83 V CA -0.677 61.378 62.300 -0.408 0.000 0.908 83 V CB 2.166 33.627 31.823 -0.605 0.000 1.001 83 V HN 0.806 nan 8.190 nan 0.000 0.431 84 D N 3.101 123.441 120.400 -0.101 0.000 2.616 84 D HA 0.497 5.138 4.640 0.001 0.000 0.238 84 D C -0.733 175.534 176.300 -0.055 0.000 1.354 84 D CA -0.215 53.746 54.000 -0.064 0.000 0.970 84 D CB 1.462 42.141 40.800 -0.202 0.000 1.369 84 D HN 0.867 nan 8.370 nan 0.000 0.585 85 E N 1.759 121.958 120.200 -0.000 0.000 2.454 85 E HA 0.520 4.871 4.350 0.001 0.000 0.279 85 E C -1.109 175.514 176.600 0.039 0.000 1.029 85 E CA -0.997 55.411 56.400 0.013 0.000 0.831 85 E CB 1.243 30.962 29.700 0.031 0.000 1.405 85 E HN 0.074 nan 8.360 nan 0.000 0.463 86 M N 1.632 121.250 119.600 0.031 0.000 2.294 86 M HA 0.428 4.908 4.480 0.001 0.000 0.335 86 M C -0.896 175.433 176.300 0.048 0.000 1.079 86 M CA -0.908 54.412 55.300 0.034 0.000 0.982 86 M CB 1.100 33.706 32.600 0.010 0.000 1.651 86 M HN 0.535 nan 8.290 nan 0.000 0.437 87 I N 6.258 126.868 120.570 0.066 0.000 2.321 87 I HA 0.343 4.514 4.170 0.001 0.000 0.291 87 I C -1.945 174.212 176.117 0.066 0.000 0.998 87 I CA -2.373 58.981 61.300 0.090 0.000 1.227 87 I CB 1.467 39.558 38.000 0.152 0.000 1.368 87 I HN 0.274 nan 8.210 nan 0.000 0.466 88 P HA 0.081 nan 4.420 nan 0.000 0.267 88 P C -0.465 176.857 177.300 0.038 0.000 1.205 88 P CA -0.130 62.977 63.100 0.012 0.000 0.765 88 P CB 0.618 32.316 31.700 -0.003 0.000 0.828 89 S N 3.037 118.698 115.700 -0.064 0.000 2.216 89 S HA 0.384 4.855 4.470 0.001 0.000 0.156 89 S C -2.426 172.086 174.600 -0.146 0.000 1.665 89 S CA -1.556 56.554 58.200 -0.149 0.000 1.262 89 S CB 0.625 63.553 63.200 -0.453 0.000 1.207 89 S HN 0.308 nan 8.310 nan 0.000 0.427 90 P HA 0.296 nan 4.420 nan 0.000 0.274 90 P C -0.089 176.961 177.300 -0.416 0.000 1.231 90 P CA -0.126 62.644 63.100 -0.550 0.000 0.790 90 P CB -0.086 31.047 31.700 -0.945 0.000 0.951 91 F N -2.047 117.917 119.950 0.023 0.000 3.074 91 F HA -0.263 4.265 4.527 0.001 0.000 0.287 91 F C 0.329 176.227 175.800 0.163 0.000 0.932 91 F CA 0.426 58.451 58.000 0.042 0.000 0.995 91 F CB -2.402 36.604 39.000 0.010 0.000 0.966 91 F HN 0.392 nan 8.300 nan 0.000 0.721 92 Y N 0.016 120.348 120.300 0.053 0.000 3.276 92 Y HA 0.405 4.956 4.550 0.001 0.000 0.261 92 Y C 1.456 177.400 175.900 0.074 0.000 2.199 92 Y CA -0.859 57.262 58.100 0.035 0.000 0.968 92 Y CB 0.433 38.815 38.460 -0.130 0.000 1.755 92 Y HN -0.129 nan 8.280 nan 0.000 0.487 93 R N 1.263 121.446 120.500 -0.528 0.000 2.297 93 R HA 0.602 4.942 4.340 0.001 0.000 0.197 93 R C -0.420 175.753 176.300 -0.211 0.000 0.943 93 R CA 0.725 56.583 56.100 -0.404 0.000 1.038 93 R CB 0.571 30.419 30.300 -0.753 0.000 0.957 93 R HN 0.318 nan 8.270 nan 0.000 0.484 94 A N 0.319 123.032 122.820 -0.178 0.000 2.586 94 A HA 0.337 4.658 4.320 0.001 0.000 0.291 94 A C 0.429 177.950 177.584 -0.105 0.000 1.062 94 A CA -0.274 51.692 52.037 -0.118 0.000 0.666 94 A CB 0.952 19.865 19.000 -0.145 0.000 1.281 94 A HN 0.114 nan 8.150 nan 0.000 0.421 95 S N -0.109 115.538 115.700 -0.088 0.000 2.399 95 S HA 0.008 4.479 4.470 0.001 0.000 0.231 95 S C 0.455 174.999 174.600 -0.093 0.000 1.022 95 S CA 1.604 59.747 58.200 -0.095 0.000 0.983 95 S CB -0.537 62.617 63.200 -0.077 0.000 0.803 95 S HN 1.084 nan 8.310 nan 0.000 0.480 96 E N -0.274 119.877 120.200 -0.082 0.000 2.392 96 E HA 0.663 5.014 4.350 0.001 0.000 0.279 96 E C -1.665 174.897 176.600 -0.063 0.000 0.964 96 E CA -1.090 55.271 56.400 -0.064 0.000 0.777 96 E CB 1.202 30.881 29.700 -0.034 0.000 1.249 96 E HN 0.191 nan 8.360 nan 0.000 0.449 97 L N 1.099 122.298 121.223 -0.041 0.000 2.346 97 L HA 0.587 4.928 4.340 0.001 0.000 0.274 97 L C 0.075 176.965 176.870 0.033 0.000 1.007 97 L CA -1.082 53.745 54.840 -0.023 0.000 0.818 97 L CB 1.942 43.980 42.059 -0.035 0.000 1.284 97 L HN 0.502 nan 8.230 nan 0.000 0.424 98 R N 1.869 122.395 120.500 0.043 0.000 2.389 98 R HA 0.153 4.494 4.340 0.001 0.000 0.295 98 R C -0.591 175.808 176.300 0.164 0.000 1.075 98 R CA -0.284 55.865 56.100 0.082 0.000 1.005 98 R CB 0.508 30.848 30.300 0.068 0.000 0.987 98 R HN 0.524 nan 8.270 nan 0.000 0.452 99 N N 2.487 121.313 118.700 0.210 0.000 2.621 99 N HA 0.094 4.835 4.740 0.001 0.000 0.237 99 N C -1.873 173.875 175.510 0.397 0.000 0.997 99 N CA -0.450 52.825 53.050 0.374 0.000 0.918 99 N CB 0.531 39.214 38.487 0.327 0.000 1.122 99 N HN 0.504 nan 8.380 nan 0.000 0.510 100 H N 3.302 122.562 119.070 0.318 0.000 2.646 100 H HA 0.438 4.994 4.556 0.001 0.000 0.328 100 H C -1.281 174.047 175.328 -0.000 0.000 0.998 100 H CA -0.487 55.617 56.048 0.094 0.000 1.225 100 H CB 0.015 29.831 29.762 0.089 0.000 1.457 100 H HN 0.513 nan 8.280 nan 0.000 0.505 101 Y N 1.153 121.260 120.300 -0.322 0.000 2.788 101 Y HA 0.436 4.986 4.550 0.001 0.000 0.335 101 Y C -1.704 174.001 175.900 -0.324 0.000 1.287 101 Y CA -1.311 56.440 58.100 -0.581 0.000 1.068 101 Y CB 1.026 38.762 38.460 -1.206 0.000 1.340 101 Y HN 0.490 nan 8.280 nan 0.000 0.449 102 N N -0.045 118.617 118.700 -0.062 0.000 2.399 102 N HA 0.606 5.347 4.740 0.001 0.000 0.280 102 N C -0.964 174.662 175.510 0.193 0.000 1.008 102 N CA -0.821 52.216 53.050 -0.021 0.000 0.894 102 N CB 2.021 40.487 38.487 -0.033 0.000 1.273 102 N HN 1.008 nan 8.380 nan 0.000 0.486 103 G N 1.133 110.060 108.800 0.212 0.000 2.400 103 G HA2 0.612 4.573 3.960 0.001 0.000 0.333 103 G HA3 0.612 4.573 3.960 0.001 0.000 0.333 103 G C -1.338 173.660 174.900 0.162 0.000 1.143 103 G CA -0.276 44.990 45.100 0.277 0.000 0.914 103 G HN 0.394 nan 8.290 nan 0.000 0.480 104 L N 1.296 122.627 121.223 0.179 0.000 2.446 104 L HA 0.608 4.948 4.340 0.001 0.000 0.268 104 L C -0.232 176.713 176.870 0.126 0.000 0.975 104 L CA -0.272 54.638 54.840 0.117 0.000 0.848 104 L CB 2.028 44.139 42.059 0.087 0.000 1.225 104 L HN 0.421 nan 8.230 nan 0.000 0.410 105 T N 6.179 120.759 114.554 0.043 0.000 2.795 105 T HA 0.602 4.953 4.350 0.001 0.000 0.282 105 T C -0.317 174.312 174.700 -0.118 0.000 0.980 105 T CA -0.221 61.875 62.100 -0.006 0.000 1.012 105 T CB 0.883 69.736 68.868 -0.024 0.000 0.936 105 T HN 0.436 nan 8.240 nan 0.000 0.457 106 L N 4.041 125.166 121.223 -0.164 0.000 2.298 106 L HA 0.528 4.868 4.340 0.001 0.000 0.284 106 L C 0.457 176.956 176.870 -0.619 0.000 1.013 106 L CA -0.749 53.827 54.840 -0.440 0.000 0.824 106 L CB 1.183 43.004 42.059 -0.397 0.000 1.221 106 L HN 0.366 nan 8.230 nan 0.000 0.418 107 R N 2.876 122.959 120.500 -0.696 0.000 2.312 107 R HA 0.608 4.949 4.340 0.001 0.000 0.311 107 R C -1.224 174.496 176.300 -0.967 0.000 1.004 107 R CA -0.368 55.353 56.100 -0.631 0.000 0.902 107 R CB 1.308 31.381 30.300 -0.378 0.000 1.073 107 R HN 0.291 nan 8.270 nan 0.000 0.457 108 F N 1.056 120.540 119.950 -0.777 0.000 2.522 108 F HA 0.337 4.865 4.527 0.001 0.000 0.324 108 F C 0.580 175.991 175.800 -0.648 0.000 1.077 108 F CA -0.990 56.478 58.000 -0.886 0.000 0.944 108 F CB 1.421 39.349 39.000 -1.788 0.000 1.175 108 F HN 0.193 nan 8.300 nan 0.000 0.468 109 K N 2.607 122.917 120.400 -0.149 0.000 2.436 109 K HA 0.113 4.434 4.320 0.001 0.000 0.282 109 K C 0.178 176.818 176.600 0.066 0.000 1.044 109 K CA 0.512 56.774 56.287 -0.041 0.000 1.028 109 K CB 0.167 32.683 32.500 0.026 0.000 0.919 109 K HN 0.755 nan 8.250 nan 0.000 0.474 110 K N 3.911 124.354 120.400 0.071 0.000 2.555 110 K HA -0.095 4.226 4.320 0.001 0.000 0.165 110 K C -1.157 175.569 176.600 0.209 0.000 1.347 110 K CA 0.647 57.063 56.287 0.215 0.000 0.594 110 K CB -0.735 32.033 32.500 0.447 0.000 2.809 110 K HN 0.935 nan 8.250 nan 0.000 0.632 111 D N 0.114 120.544 120.400 0.050 0.000 2.775 111 D HA -0.184 4.457 4.640 0.001 0.000 0.235 111 D C -0.868 175.447 176.300 0.025 0.000 1.120 111 D CA 1.989 56.008 54.000 0.032 0.000 0.708 111 D CB -1.121 39.734 40.800 0.092 0.000 1.084 111 D HN 0.514 nan 8.370 nan 0.000 0.434 112 W N -0.199 120.932 121.300 -0.283 0.000 3.138 112 W HA 0.617 5.278 4.660 0.001 0.000 0.331 112 W C -0.873 175.533 176.519 -0.188 0.000 1.166 112 W CA -0.822 56.231 57.345 -0.486 0.000 1.212 112 W CB 0.454 29.050 29.460 -1.441 0.000 1.399 112 W HN -0.210 nan 8.180 nan 0.000 0.514 113 N N 0.559 119.276 118.700 0.027 0.000 2.469 113 N HA 0.678 5.419 4.740 0.001 0.000 0.286 113 N C -1.785 173.798 175.510 0.123 0.000 1.275 113 N CA -0.978 52.068 53.050 -0.007 0.000 0.790 113 N CB 2.893 41.327 38.487 -0.088 0.000 1.446 113 N HN 0.156 nan 8.380 nan 0.000 0.501 114 V N 1.199 121.139 119.914 0.043 0.000 2.524 114 V HA 0.241 4.361 4.120 0.001 0.000 0.297 114 V C -0.819 175.221 176.094 -0.090 0.000 1.035 114 V CA -0.564 61.670 62.300 -0.109 0.000 0.867 114 V CB 1.490 33.255 31.823 -0.097 0.000 1.004 114 V HN 0.627 nan 8.190 nan 0.000 0.426 115 E N 3.721 123.797 120.200 -0.208 0.000 2.216 115 E HA 0.585 4.935 4.350 0.001 0.000 0.279 115 E C -1.475 175.062 176.600 -0.106 0.000 0.997 115 E CA -0.335 56.005 56.400 -0.100 0.000 0.817 115 E CB 1.816 31.434 29.700 -0.137 0.000 1.096 115 E HN 0.488 nan 8.360 nan 0.000 0.393 116 F N 1.696 121.711 119.950 0.110 0.000 2.532 116 F HA 0.474 5.001 4.527 0.001 0.000 0.321 116 F C 0.133 176.037 175.800 0.173 0.000 1.089 116 F CA -0.664 57.430 58.000 0.157 0.000 0.926 116 F CB 1.640 40.672 39.000 0.053 0.000 1.168 116 F HN 0.167 nan 8.300 nan 0.000 0.459 117 R N 1.947 122.655 120.500 0.347 0.000 2.628 117 R HA 0.805 5.146 4.340 0.001 0.000 0.288 117 R C -1.437 174.947 176.300 0.140 0.000 0.980 117 R CA -1.220 54.946 56.100 0.109 0.000 0.891 117 R CB 2.161 32.303 30.300 -0.264 0.000 1.188 117 R HN 0.635 nan 8.270 nan 0.000 0.450 118 A N 3.444 126.303 122.820 0.066 0.000 2.360 118 A HA 0.495 4.816 4.320 0.001 0.000 0.309 118 A C -1.277 176.308 177.584 0.002 0.000 1.311 118 A CA -0.480 51.613 52.037 0.094 0.000 0.805 118 A CB 0.270 19.322 19.000 0.086 0.000 1.144 118 A HN 0.654 nan 8.150 nan 0.000 0.486 119 Y N 0.966 121.297 120.300 0.052 0.000 2.432 119 Y HA 0.223 4.773 4.550 0.001 0.000 0.322 119 Y C 1.412 177.324 175.900 0.019 0.000 1.246 119 Y CA -0.603 57.518 58.100 0.035 0.000 1.268 119 Y CB 0.999 39.467 38.460 0.013 0.000 1.276 119 Y HN 0.676 nan 8.280 nan 0.000 0.499 120 N N 0.890 119.692 118.700 0.170 0.000 2.453 120 N HA -0.116 4.624 4.740 0.001 0.000 0.183 120 N C 0.121 175.699 175.510 0.113 0.000 1.041 120 N CA 1.202 54.315 53.050 0.104 0.000 0.900 120 N CB -0.169 38.369 38.487 0.085 0.000 0.961 120 N HN 0.654 nan 8.380 nan 0.000 0.443 121 D N -1.489 118.992 120.400 0.135 0.000 2.623 121 D HA 0.327 4.967 4.640 0.001 0.000 0.252 121 D C 0.366 176.716 176.300 0.082 0.000 1.294 121 D CA -0.550 53.502 54.000 0.088 0.000 0.824 121 D CB 0.216 41.046 40.800 0.051 0.000 1.070 121 D HN 0.065 nan 8.370 nan 0.000 0.487 122 G N -0.097 108.785 108.800 0.136 0.000 2.377 122 G HA2 0.377 4.338 3.960 0.001 0.000 0.297 122 G HA3 0.377 4.338 3.960 0.001 0.000 0.297 122 G C -1.963 173.062 174.900 0.209 0.000 1.547 122 G CA -0.878 44.304 45.100 0.137 0.000 0.833 122 G HN 0.032 nan 8.290 nan 0.000 0.583 123 I N 0.816 121.519 120.570 0.221 0.000 2.433 123 I HA 0.795 4.966 4.170 0.001 0.000 0.292 123 I C 0.361 176.632 176.117 0.257 0.000 1.001 123 I CA -0.873 60.594 61.300 0.277 0.000 1.119 123 I CB 1.151 39.356 38.000 0.343 0.000 1.289 123 I HN 0.982 nan 8.210 nan 0.000 0.438 124 A N 6.589 129.554 122.820 0.242 0.000 2.539 124 A HA 0.887 5.207 4.320 0.001 0.000 0.296 124 A C -1.626 176.092 177.584 0.224 0.000 1.073 124 A CA -0.465 51.684 52.037 0.186 0.000 0.700 124 A CB 2.173 21.197 19.000 0.040 0.000 1.296 124 A HN 0.710 nan 8.150 nan 0.000 0.405 125 Y N -0.523 119.776 120.300 -0.001 0.000 2.655 125 Y HA 0.890 5.441 4.550 0.001 0.000 0.336 125 Y C -0.641 174.999 175.900 -0.434 0.000 1.154 125 Y CA -1.089 56.700 58.100 -0.518 0.000 1.055 125 Y CB 1.327 38.861 38.460 -1.544 0.000 1.295 125 Y HN 1.032 nan 8.280 nan 0.000 0.465 126 R N 0.865 120.992 120.500 -0.622 0.000 2.634 126 R HA 0.557 4.898 4.340 0.001 0.000 0.263 126 R C -2.373 173.745 176.300 -0.303 0.000 1.060 126 R CA -0.745 55.001 56.100 -0.591 0.000 0.898 126 R CB 1.247 30.847 30.300 -1.167 0.000 1.253 126 R HN 0.585 nan 8.270 nan 0.000 0.461 127 F N 1.238 121.188 119.950 0.000 0.000 2.375 127 F HA 0.486 5.014 4.527 0.001 0.000 0.333 127 F C 0.117 176.064 175.800 0.244 0.000 1.104 127 F CA -0.152 57.973 58.000 0.208 0.000 1.149 127 F CB 1.973 41.151 39.000 0.297 0.000 1.190 127 F HN 0.163 nan 8.300 nan 0.000 0.533 128 V N 2.541 122.669 119.914 0.357 0.000 2.531 128 V HA 0.279 4.399 4.120 0.001 0.000 0.301 128 V C -0.830 175.379 176.094 0.190 0.000 1.034 128 V CA -1.065 61.320 62.300 0.143 0.000 0.865 128 V CB 1.842 33.658 31.823 -0.012 0.000 0.995 128 V HN 0.662 nan 8.190 nan 0.000 0.424 129 N N 3.391 122.180 118.700 0.149 0.000 2.457 129 N HA 0.306 5.047 4.740 0.001 0.000 0.250 129 N C 0.423 176.005 175.510 0.120 0.000 0.982 129 N CA -0.182 53.017 53.050 0.249 0.000 0.941 129 N CB 1.349 40.128 38.487 0.486 0.000 1.120 129 N HN 0.679 nan 8.380 nan 0.000 0.505 130 Q N 1.751 121.611 119.800 0.100 0.000 2.282 130 Q HA 0.222 4.563 4.340 0.001 0.000 0.206 130 Q C 0.730 176.791 176.000 0.102 0.000 0.878 130 Q CA -0.389 55.451 55.803 0.062 0.000 0.944 130 Q CB 0.765 29.512 28.738 0.015 0.000 1.100 130 Q HN 0.679 nan 8.270 nan 0.000 0.509 131 G N 1.020 109.931 108.800 0.184 0.000 2.614 131 G HA2 -0.016 3.944 3.960 0.001 0.000 0.239 131 G HA3 -0.016 3.944 3.960 0.001 0.000 0.239 131 G C 0.408 175.421 174.900 0.188 0.000 1.240 131 G CA -0.069 45.157 45.100 0.211 0.000 0.842 131 G HN 0.006 nan 8.290 nan 0.000 0.584 132 K N -0.543 119.947 120.400 0.150 0.000 2.367 132 K HA 0.151 4.472 4.320 0.001 0.000 0.195 132 K C 0.669 177.343 176.600 0.123 0.000 1.060 132 K CA 0.273 56.627 56.287 0.111 0.000 1.022 132 K CB 0.267 32.811 32.500 0.072 0.000 0.894 132 K HN 0.243 nan 8.250 nan 0.000 0.540 133 K N 2.038 122.539 120.400 0.168 0.000 2.234 133 K HA 0.277 4.598 4.320 0.001 0.000 0.282 133 K C -2.528 174.218 176.600 0.243 0.000 1.039 133 K CA -2.323 54.064 56.287 0.166 0.000 0.928 133 K CB 0.672 33.262 32.500 0.150 0.000 1.039 133 K HN -0.046 nan 8.250 nan 0.000 0.470 134 P HA 0.159 nan 4.420 nan 0.000 0.271 134 P C -0.736 176.642 177.300 0.129 0.000 1.216 134 P CA -0.058 63.067 63.100 0.043 0.000 0.776 134 P CB 0.321 32.009 31.700 -0.020 0.000 0.881 135 F N -0.320 119.600 119.950 -0.050 0.000 3.090 135 F HA 0.723 5.250 4.527 0.001 0.000 0.324 135 F C -1.098 174.595 175.800 -0.178 0.000 1.189 135 F CA -1.359 56.575 58.000 -0.110 0.000 0.907 135 F CB 1.336 40.285 39.000 -0.085 0.000 1.445 135 F HN 0.003 nan 8.300 nan 0.000 0.500 136 R N 0.564 121.076 120.500 0.021 0.000 2.744 136 R HA 0.728 5.069 4.340 0.001 0.000 0.279 136 R C -1.929 174.348 176.300 -0.038 0.000 0.977 136 R CA -1.262 54.705 56.100 -0.222 0.000 0.906 136 R CB 2.651 32.583 30.300 -0.614 0.000 1.197 136 R HN 0.548 nan 8.270 nan 0.000 0.463 137 V N 3.072 122.938 119.914 -0.080 0.000 2.383 137 V HA 0.099 4.220 4.120 0.001 0.000 0.275 137 V C 1.031 177.083 176.094 -0.069 0.000 1.036 137 V CA -0.267 61.968 62.300 -0.108 0.000 0.889 137 V CB 1.441 33.182 31.823 -0.136 0.000 0.985 137 V HN 0.674 nan 8.190 nan 0.000 0.459 138 V N 3.637 123.492 119.914 -0.098 0.000 2.379 138 V HA 0.050 4.171 4.120 0.001 0.000 0.243 138 V C 1.018 177.070 176.094 -0.069 0.000 1.035 138 V CA 1.877 64.160 62.300 -0.029 0.000 1.035 138 V CB -0.001 31.791 31.823 -0.050 0.000 0.673 138 V HN 1.019 nan 8.190 nan 0.000 0.457 139 T N -1.937 112.538 114.554 -0.132 0.000 2.821 139 T HA 0.608 4.959 4.350 0.001 0.000 0.306 139 T C -1.180 173.418 174.700 -0.170 0.000 1.313 139 T CA -0.703 61.329 62.100 -0.114 0.000 1.012 139 T CB 2.888 71.723 68.868 -0.056 0.000 1.298 139 T HN 0.351 nan 8.240 nan 0.000 0.502 140 E N 0.559 120.703 120.200 -0.094 0.000 2.292 140 E HA 0.621 4.971 4.350 0.001 0.000 0.272 140 E C -1.760 174.881 176.600 0.068 0.000 0.881 140 E CA -0.999 55.349 56.400 -0.087 0.000 0.754 140 E CB 2.352 31.991 29.700 -0.101 0.000 1.201 140 E HN 0.554 nan 8.360 nan 0.000 0.425 141 V N 3.065 123.007 119.914 0.046 0.000 2.398 141 V HA 0.471 4.592 4.120 0.001 0.000 0.286 141 V C -0.450 175.748 176.094 0.174 0.000 1.026 141 V CA -0.456 61.904 62.300 0.099 0.000 0.868 141 V CB 1.502 33.352 31.823 0.046 0.000 0.982 141 V HN 0.643 nan 8.190 nan 0.000 0.443 142 S N 3.425 119.240 115.700 0.192 0.000 2.381 142 S HA 0.376 4.846 4.470 0.001 0.000 0.193 142 S C -0.954 173.685 174.600 0.066 0.000 1.287 142 S CA -0.706 57.615 58.200 0.201 0.000 1.199 142 S CB 0.219 63.632 63.200 0.355 0.000 1.214 142 S HN 0.785 nan 8.310 nan 0.000 0.444 143 D N 1.917 122.281 120.400 -0.061 0.000 2.294 143 D HA 0.436 5.077 4.640 0.001 0.000 0.250 143 D C -0.969 175.108 176.300 -0.371 0.000 1.058 143 D CA 0.139 54.093 54.000 -0.076 0.000 0.950 143 D CB 0.615 41.395 40.800 -0.034 0.000 1.158 143 D HN 0.496 nan 8.370 nan 0.000 0.453 144 Y N 0.146 120.436 120.300 -0.017 0.000 2.445 144 Y HA 0.276 4.827 4.550 0.001 0.000 0.332 144 Y C -0.661 175.025 175.900 -0.357 0.000 1.037 144 Y CA -0.950 57.025 58.100 -0.210 0.000 1.296 144 Y CB 1.018 39.448 38.460 -0.050 0.000 1.099 144 Y HN 0.247 nan 8.280 nan 0.000 0.496 145 C N 4.393 123.500 119.300 -0.322 0.000 2.303 145 C HA 0.510 4.971 4.460 0.001 0.000 0.341 145 C C -0.004 174.766 174.990 -0.367 0.000 1.244 145 C CA -0.924 57.964 59.018 -0.216 0.000 1.765 145 C CB -1.567 26.093 27.740 -0.132 0.000 2.379 145 C HN 0.541 nan 8.230 nan 0.000 0.530 146 F N 4.626 124.610 119.950 0.056 0.000 2.397 146 F HA 0.391 4.919 4.527 0.001 0.000 0.331 146 F C -0.700 175.119 175.800 0.031 0.000 1.090 146 F CA -2.127 55.901 58.000 0.047 0.000 1.065 146 F CB 0.816 39.847 39.000 0.052 0.000 1.184 146 F HN 0.427 nan 8.300 nan 0.000 0.499 147 P HA -0.037 nan 4.420 nan 0.000 0.234 147 P C -0.335 177.029 177.300 0.107 0.000 1.167 147 P CA 0.833 64.000 63.100 0.111 0.000 0.763 147 P CB 0.313 32.066 31.700 0.088 0.000 0.835 148 S N -1.955 113.827 115.700 0.137 0.000 2.661 148 S HA 0.241 4.711 4.470 0.001 0.000 0.268 148 S C -1.114 173.532 174.600 0.077 0.000 1.162 148 S CA -0.812 57.441 58.200 0.089 0.000 0.817 148 S CB 0.502 63.739 63.200 0.061 0.000 1.141 148 S HN -0.241 nan 8.310 nan 0.000 0.477 149 D N 1.088 121.513 120.400 0.042 0.000 2.608 149 D HA 0.318 4.959 4.640 0.001 0.000 0.224 149 D C -0.113 176.175 176.300 -0.019 0.000 1.123 149 D CA 0.044 54.054 54.000 0.018 0.000 1.030 149 D CB -0.725 40.087 40.800 0.020 0.000 1.093 149 D HN 0.449 nan 8.370 nan 0.000 0.497 150 M N 0.350 119.912 119.600 -0.064 0.000 2.228 150 M HA 0.138 4.619 4.480 0.001 0.000 0.326 150 M C 0.762 176.981 176.300 -0.135 0.000 1.122 150 M CA 0.012 55.243 55.300 -0.116 0.000 1.161 150 M CB 0.946 33.422 32.600 -0.206 0.000 1.437 150 M HN 0.015 nan 8.290 nan 0.000 0.465 151 T N 2.118 116.603 114.554 -0.115 0.000 2.761 151 T HA 0.498 4.848 4.350 0.001 0.000 0.296 151 T C -0.213 174.402 174.700 -0.141 0.000 0.934 151 T CA -0.580 61.459 62.100 -0.101 0.000 1.091 151 T CB 0.430 69.257 68.868 -0.070 0.000 0.896 151 T HN 0.681 nan 8.240 nan 0.000 0.515 152 A N 2.980 125.719 122.820 -0.135 0.000 2.320 152 A HA 0.746 5.067 4.320 0.001 0.000 0.334 152 A C 0.031 177.548 177.584 -0.112 0.000 1.147 152 A CA -0.770 51.174 52.037 -0.155 0.000 0.820 152 A CB 1.130 20.026 19.000 -0.173 0.000 1.218 152 A HN 0.651 nan 8.150 nan 0.000 0.482 153 S N 0.516 116.145 115.700 -0.118 0.000 2.669 153 S HA 0.565 5.036 4.470 0.001 0.000 0.315 153 S C -0.456 174.116 174.600 -0.047 0.000 1.106 153 S CA -0.444 57.708 58.200 -0.081 0.000 1.107 153 S CB 0.809 63.922 63.200 -0.144 0.000 0.990 153 S HN 1.518 nan 8.310 nan 0.000 0.471 154 V N 1.166 121.057 119.914 -0.039 0.000 2.962 154 V HA 0.876 4.996 4.120 0.001 0.000 0.313 154 V C -3.051 172.921 176.094 -0.202 0.000 1.099 154 V CA -2.847 59.386 62.300 -0.111 0.000 0.971 154 V CB 2.454 34.087 31.823 -0.317 0.000 1.028 154 V HN 0.531 nan 8.190 nan 0.000 0.430 155 P HA 0.394 nan 4.420 nan 0.000 0.284 155 P C -1.316 175.558 177.300 -0.709 0.000 1.459 155 P CA -0.245 62.451 63.100 -0.673 0.000 0.982 155 P CB 0.434 31.503 31.700 -1.053 0.000 1.184 156 Y N 1.461 121.609 120.300 -0.254 0.000 2.457 156 Y HA 0.028 4.579 4.550 0.001 0.000 0.341 156 Y C 1.487 177.402 175.900 0.026 0.000 1.240 156 Y CA -0.011 58.029 58.100 -0.100 0.000 1.437 156 Y CB 0.379 38.819 38.460 -0.034 0.000 1.328 156 Y HN 0.143 nan 8.280 nan 0.000 0.588 157 V N 3.877 123.990 119.914 0.330 0.000 2.585 157 V HA -0.059 4.061 4.120 0.001 0.000 0.296 157 V C 1.245 177.438 176.094 0.165 0.000 1.035 157 V CA -0.070 62.421 62.300 0.317 0.000 1.084 157 V CB 1.085 33.011 31.823 0.172 0.000 0.953 157 V HN 0.832 nan 8.190 nan 0.000 0.483 158 K N 2.909 123.386 120.400 0.128 0.000 2.167 158 K HA -0.033 4.287 4.320 0.001 0.000 0.203 158 K C 1.082 177.671 176.600 -0.018 0.000 1.052 158 K CA 0.962 57.280 56.287 0.051 0.000 0.956 158 K CB 0.201 32.728 32.500 0.046 0.000 0.735 158 K HN 0.848 nan 8.250 nan 0.000 0.451 159 S N -1.049 114.617 115.700 -0.058 0.000 2.745 159 S HA 0.694 5.165 4.470 0.001 0.000 0.292 159 S C 0.415 174.964 174.600 -0.084 0.000 1.127 159 S CA -0.442 57.711 58.200 -0.078 0.000 1.007 159 S CB 1.287 64.418 63.200 -0.116 0.000 1.165 159 S HN 0.505 nan 8.310 nan 0.000 0.544 160 G N 0.142 108.900 108.800 -0.070 0.000 2.828 160 G HA2 0.005 3.966 3.960 0.001 0.000 0.463 160 G HA3 0.005 3.966 3.960 0.001 0.000 0.463 160 G C -1.292 173.540 174.900 -0.114 0.000 1.394 160 G CA -0.563 44.484 45.100 -0.089 0.000 0.862 160 G HN 0.746 nan 8.290 nan 0.000 0.540 161 K N 0.354 120.667 120.400 -0.144 0.000 2.267 161 K HA 0.501 4.822 4.320 0.001 0.000 0.246 161 K C -0.461 176.004 176.600 -0.225 0.000 0.954 161 K CA -0.982 55.212 56.287 -0.154 0.000 0.824 161 K CB 1.228 33.656 32.500 -0.121 0.000 1.167 161 K HN 0.572 nan 8.250 nan 0.000 0.431 162 D N 0.288 120.562 120.400 -0.209 0.000 2.493 162 D HA 0.203 4.843 4.640 0.001 0.000 0.240 162 D C 1.296 177.414 176.300 -0.302 0.000 1.142 162 D CA 1.894 55.744 54.000 -0.251 0.000 0.872 162 D CB 0.306 40.998 40.800 -0.179 0.000 1.173 162 D HN 0.726 nan 8.370 nan 0.000 0.467 163 G N 2.867 111.374 108.800 -0.488 0.000 2.299 163 G HA2 -0.287 3.674 3.960 0.001 0.000 0.237 163 G HA3 -0.287 3.674 3.960 0.001 0.000 0.237 163 G C 0.445 174.974 174.900 -0.618 0.000 1.027 163 G CA 0.139 44.934 45.100 -0.509 0.000 0.619 163 G HN 0.624 nan 8.290 nan 0.000 0.513 164 D N 0.471 120.568 120.400 -0.507 0.000 2.522 164 D HA 0.481 5.122 4.640 0.001 0.000 0.218 164 D C 1.290 177.319 176.300 -0.452 0.000 1.149 164 D CA -0.808 52.983 54.000 -0.349 0.000 0.981 164 D CB -0.477 40.202 40.800 -0.202 0.000 1.041 164 D HN 0.430 nan 8.370 nan 0.000 0.518 165 Y N 1.104 121.245 120.300 -0.264 0.000 2.256 165 Y HA -0.159 4.392 4.550 0.001 0.000 0.288 165 Y C 2.162 177.566 175.900 -0.828 0.000 1.155 165 Y CA 0.744 58.504 58.100 -0.566 0.000 1.203 165 Y CB -0.082 38.089 38.460 -0.481 0.000 0.980 165 Y HN 0.353 nan 8.280 nan 0.000 0.530 166 N N -0.884 117.698 118.700 -0.196 0.000 2.459 166 N HA -0.127 4.613 4.740 0.001 0.000 0.181 166 N C 1.913 177.416 175.510 -0.011 0.000 1.046 166 N CA 1.034 54.104 53.050 0.033 0.000 0.904 166 N CB -0.088 38.499 38.487 0.167 0.000 0.964 166 N HN 0.230 nan 8.380 nan 0.000 0.444 167 S N 0.699 116.330 115.700 -0.114 0.000 2.436 167 S HA 0.017 4.488 4.470 0.001 0.000 0.228 167 S C 1.695 176.245 174.600 -0.085 0.000 1.014 167 S CA 0.718 58.881 58.200 -0.060 0.000 0.950 167 S CB 0.201 63.344 63.200 -0.096 0.000 0.784 167 S HN 0.303 nan 8.310 nan 0.000 0.504 168 Q N -0.660 118.984 119.800 -0.261 0.000 2.269 168 Q HA 0.109 4.450 4.340 0.001 0.000 0.201 168 Q C 1.293 177.166 176.000 -0.213 0.000 0.946 168 Q CA 0.768 56.404 55.803 -0.278 0.000 0.877 168 Q CB -0.138 28.367 28.738 -0.387 0.000 0.963 168 Q HN 0.537 nan 8.270 nan 0.000 0.472 169 F N -0.172 119.747 119.950 -0.051 0.000 2.333 169 F HA -0.111 4.417 4.527 0.001 0.000 0.300 169 F C 0.856 176.734 175.800 0.131 0.000 1.083 169 F CA 0.350 58.353 58.000 0.005 0.000 1.395 169 F CB -0.210 38.808 39.000 0.030 0.000 1.056 169 F HN 0.014 nan 8.300 nan 0.000 0.529 170 F N 2.728 122.730 119.950 0.087 0.000 2.351 170 F HA 0.318 4.846 4.527 0.001 0.000 0.362 170 F C -0.072 175.694 175.800 -0.057 0.000 1.131 170 F CA -1.549 56.472 58.000 0.036 0.000 1.187 170 F CB -0.794 38.228 39.000 0.037 0.000 1.434 170 F HN 0.124 nan 8.300 nan 0.000 0.553 171 N N 0.528 119.012 118.700 -0.359 0.000 2.825 171 N HA 0.314 5.054 4.740 0.001 0.000 0.253 171 N C -0.489 174.666 175.510 -0.593 0.000 1.426 171 N CA -0.759 51.972 53.050 -0.531 0.000 0.851 171 N CB 1.361 39.565 38.487 -0.472 0.000 1.470 171 N HN -0.063 nan 8.380 nan 0.000 0.517 172 S N -0.572 114.870 115.700 -0.429 0.000 2.501 172 S HA 0.153 4.624 4.470 0.001 0.000 0.220 172 S C -0.346 174.188 174.600 -0.110 0.000 0.997 172 S CA -0.200 57.869 58.200 -0.219 0.000 0.919 172 S CB -0.881 62.226 63.200 -0.156 0.000 0.778 172 S HN 0.563 nan 8.310 nan 0.000 0.523 173 F N 1.200 120.958 119.950 -0.320 0.000 3.074 173 F HA -0.190 4.337 4.527 0.001 0.000 0.289 173 F C -0.073 175.380 175.800 -0.579 0.000 0.863 173 F CA 0.318 57.824 58.000 -0.824 0.000 1.121 173 F CB -2.191 36.409 39.000 -0.666 0.000 1.169 173 F HN 0.204 nan 8.300 nan 0.000 0.570 174 E N 0.717 120.862 120.200 -0.091 0.000 2.186 174 E HA 0.616 4.966 4.350 0.001 0.000 0.255 174 E C -0.265 176.411 176.600 0.127 0.000 0.881 174 E CA -0.839 55.590 56.400 0.049 0.000 0.752 174 E CB 1.653 31.365 29.700 0.020 0.000 1.176 174 E HN 0.205 nan 8.360 nan 0.000 0.421 175 N N 1.258 120.065 118.700 0.178 0.000 3.043 175 N HA 0.142 4.883 4.740 0.001 0.000 0.243 175 N C -1.033 174.359 175.510 -0.197 0.000 1.347 175 N CA -0.366 52.707 53.050 0.039 0.000 0.896 175 N CB 1.637 40.225 38.487 0.167 0.000 1.501 175 N HN 0.392 nan 8.380 nan 0.000 0.504 176 T N -1.096 113.302 114.554 -0.259 0.000 2.770 176 T HA 0.485 4.836 4.350 0.001 0.000 0.281 176 T C -0.090 174.463 174.700 -0.244 0.000 0.981 176 T CA 0.083 62.023 62.100 -0.267 0.000 0.955 176 T CB 0.249 69.053 68.868 -0.107 0.000 1.060 176 T HN 0.296 nan 8.240 nan 0.000 0.531 177 Y N -0.400 120.006 120.300 0.178 0.000 2.334 177 Y HA 0.475 5.026 4.550 0.001 0.000 0.328 177 Y C 0.904 176.832 175.900 0.046 0.000 1.130 177 Y CA -0.713 57.431 58.100 0.073 0.000 1.163 177 Y CB 1.535 40.041 38.460 0.078 0.000 1.207 177 Y HN 0.631 nan 8.280 nan 0.000 0.471 178 T N 2.368 116.996 114.554 0.122 0.000 2.770 178 T HA 0.338 4.689 4.350 0.001 0.000 0.283 178 T C -0.422 174.309 174.700 0.051 0.000 0.988 178 T CA -0.700 61.459 62.100 0.099 0.000 0.957 178 T CB 0.546 69.493 68.868 0.132 0.000 0.930 178 T HN 0.516 nan 8.240 nan 0.000 0.443 179 T N 4.614 119.207 114.554 0.064 0.000 2.756 179 T HA 0.587 4.938 4.350 0.001 0.000 0.290 179 T C -0.685 174.029 174.700 0.022 0.000 0.985 179 T CA -0.552 61.561 62.100 0.022 0.000 0.955 179 T CB 0.743 69.622 68.868 0.019 0.000 0.930 179 T HN 0.545 nan 8.240 nan 0.000 0.451 180 D N 1.415 121.816 120.400 0.001 0.000 2.710 180 D HA 0.220 4.861 4.640 0.001 0.000 0.276 180 D C -0.777 175.515 176.300 -0.012 0.000 1.267 180 D CA -0.725 53.281 54.000 0.011 0.000 0.772 180 D CB 1.738 42.567 40.800 0.047 0.000 1.299 180 D HN 0.253 nan 8.370 nan 0.000 0.421 181 K N 1.258 121.656 120.400 -0.004 0.000 2.355 181 K HA 0.102 4.423 4.320 0.001 0.000 0.270 181 K C 1.200 177.795 176.600 -0.008 0.000 1.003 181 K CA -0.532 55.745 56.287 -0.016 0.000 0.957 181 K CB 0.854 33.353 32.500 -0.002 0.000 0.939 181 K HN 0.175 nan 8.250 nan 0.000 0.482 182 L N 2.220 123.425 121.223 -0.029 0.000 2.051 182 L HA -0.276 4.064 4.340 0.001 0.000 0.214 182 L C 2.381 179.273 176.870 0.036 0.000 1.076 182 L CA 1.946 56.783 54.840 -0.006 0.000 0.758 182 L CB -1.025 41.027 42.059 -0.013 0.000 0.890 182 L HN 0.818 nan 8.230 nan 0.000 0.433 183 S N -1.580 114.140 115.700 0.035 0.000 2.474 183 S HA -0.127 4.343 4.470 0.001 0.000 0.235 183 S C 1.583 176.211 174.600 0.047 0.000 0.997 183 S CA 0.724 58.951 58.200 0.044 0.000 0.949 183 S CB -0.319 62.904 63.200 0.037 0.000 0.766 183 S HN 0.508 nan 8.310 nan 0.000 0.517 184 K N 0.496 120.924 120.400 0.047 0.000 2.358 184 K HA 0.365 4.686 4.320 0.001 0.000 0.200 184 K C -0.122 176.528 176.600 0.083 0.000 1.030 184 K CA -0.209 56.111 56.287 0.055 0.000 1.097 184 K CB 0.191 32.718 32.500 0.045 0.000 0.862 184 K HN 0.366 nan 8.250 nan 0.000 0.534 185 L N 1.929 123.213 121.223 0.103 0.000 2.452 185 L HA 0.062 4.403 4.340 0.001 0.000 0.267 185 L C 0.725 177.700 176.870 0.174 0.000 1.188 185 L CA -0.501 54.448 54.840 0.182 0.000 0.821 185 L CB 0.112 42.269 42.059 0.162 0.000 1.102 185 L HN 0.142 nan 8.230 nan 0.000 0.470 186 N N 2.034 120.864 118.700 0.216 0.000 2.434 186 N HA -0.044 4.697 4.740 0.001 0.000 0.268 186 N C 0.417 175.995 175.510 0.114 0.000 1.256 186 N CA 0.399 53.477 53.050 0.047 0.000 0.914 186 N CB 0.744 39.095 38.487 -0.226 0.000 1.088 186 N HN 0.500 nan 8.380 nan 0.000 0.478 187 K N 2.469 122.918 120.400 0.082 0.000 2.525 187 K HA -0.011 4.310 4.320 0.001 0.000 0.192 187 K C 0.480 177.155 176.600 0.125 0.000 1.029 187 K CA 0.686 57.038 56.287 0.108 0.000 1.029 187 K CB 0.377 32.929 32.500 0.085 0.000 0.814 187 K HN 0.634 nan 8.250 nan 0.000 0.503 188 Q N 0.218 120.059 119.800 0.067 0.000 2.159 188 Q HA 0.146 4.487 4.340 0.001 0.000 0.217 188 Q C -0.336 175.629 176.000 -0.057 0.000 0.818 188 Q CA -0.179 55.640 55.803 0.028 0.000 1.008 188 Q CB 0.943 29.635 28.738 -0.077 0.000 1.148 188 Q HN 0.030 nan 8.270 nan 0.000 0.491 189 R N 0.928 121.455 120.500 0.045 0.000 2.532 189 R HA 0.402 4.742 4.340 0.001 0.000 0.297 189 R C -1.061 175.382 176.300 0.238 0.000 0.984 189 R CA -0.447 55.672 56.100 0.032 0.000 0.884 189 R CB 1.076 31.289 30.300 -0.146 0.000 1.182 189 R HN 0.049 nan 8.270 nan 0.000 0.442 190 L N 4.472 125.822 121.223 0.213 0.000 2.473 190 L HA 0.273 4.614 4.340 0.001 0.000 0.268 190 L C 0.148 177.204 176.870 0.311 0.000 1.215 190 L CA 0.206 55.192 54.840 0.244 0.000 0.823 190 L CB 0.673 42.776 42.059 0.073 0.000 1.099 190 L HN 0.567 nan 8.230 nan 0.000 0.483 191 M N 2.811 122.584 119.600 0.289 0.000 2.253 191 M HA 0.373 4.853 4.480 0.001 0.000 0.314 191 M C -0.608 175.839 176.300 0.245 0.000 1.019 191 M CA -0.522 54.845 55.300 0.113 0.000 0.932 191 M CB 1.746 34.313 32.600 -0.055 0.000 1.606 191 M HN 0.306 nan 8.290 nan 0.000 0.430 192 F N 1.271 121.394 119.950 0.288 0.000 2.368 192 F HA 0.832 5.360 4.527 0.001 0.000 0.315 192 F C -0.857 175.019 175.800 0.127 0.000 1.145 192 F CA -1.168 56.965 58.000 0.223 0.000 1.095 192 F CB 0.348 39.555 39.000 0.346 0.000 1.286 192 F HN 0.355 nan 8.300 nan 0.000 0.530 193 L N 0.798 122.234 121.223 0.356 0.000 2.352 193 L HA 0.546 4.887 4.340 0.001 0.000 0.269 193 L C -2.293 174.750 176.870 0.289 0.000 1.034 193 L CA -2.085 52.882 54.840 0.212 0.000 0.806 193 L CB 1.388 43.505 42.059 0.097 0.000 1.244 193 L HN 0.416 nan 8.230 nan 0.000 0.447 194 P HA 0.425 nan 4.420 nan 0.000 0.276 194 P C -1.464 175.895 177.300 0.097 0.000 1.261 194 P CA -0.450 62.714 63.100 0.105 0.000 0.800 194 P CB 0.910 32.650 31.700 0.065 0.000 1.066 195 L N -2.147 119.088 121.223 0.020 0.000 2.469 195 L HA 0.815 5.156 4.340 0.001 0.000 0.256 195 L C -1.344 175.487 176.870 -0.065 0.000 1.006 195 L CA -0.972 53.858 54.840 -0.017 0.000 0.832 195 L CB 1.174 43.205 42.059 -0.046 0.000 1.421 195 L HN 0.040 nan 8.230 nan 0.000 0.410 196 V N 0.928 120.779 119.914 -0.104 0.000 2.769 196 V HA 0.809 4.930 4.120 0.001 0.000 0.312 196 V C -0.760 175.247 176.094 -0.145 0.000 1.061 196 V CA -0.644 61.588 62.300 -0.114 0.000 0.931 196 V CB 2.284 34.024 31.823 -0.138 0.000 1.010 196 V HN 0.659 nan 8.190 nan 0.000 0.433 197 V N 2.469 122.292 119.914 -0.151 0.000 2.483 197 V HA 0.368 4.489 4.120 0.001 0.000 0.297 197 V C -0.547 175.440 176.094 -0.179 0.000 1.027 197 V CA -0.613 61.534 62.300 -0.255 0.000 0.855 197 V CB 1.865 33.377 31.823 -0.518 0.000 0.995 197 V HN 0.901 nan 8.190 nan 0.000 0.424 198 D N 4.152 124.451 120.400 -0.169 0.000 2.352 198 D HA 0.288 4.929 4.640 0.001 0.000 0.245 198 D C 0.871 177.117 176.300 -0.091 0.000 1.224 198 D CA 0.043 53.975 54.000 -0.114 0.000 0.879 198 D CB 1.879 42.615 40.800 -0.106 0.000 1.057 198 D HN 0.657 nan 8.370 nan 0.000 0.491 199 A N 3.162 125.958 122.820 -0.039 0.000 2.235 199 A HA 0.439 4.760 4.320 0.001 0.000 0.208 199 A C 1.189 178.777 177.584 0.006 0.000 1.172 199 A CA 0.658 52.701 52.037 0.009 0.000 0.786 199 A CB -0.624 18.418 19.000 0.070 0.000 0.804 199 A HN 0.892 nan 8.150 nan 0.000 0.479 200 G N -1.017 107.773 108.800 -0.016 0.000 2.758 200 G HA2 0.116 4.077 3.960 0.001 0.000 0.686 200 G HA3 0.116 4.077 3.960 0.001 0.000 0.686 200 G C -0.062 174.836 174.900 -0.003 0.000 1.389 200 G CA 0.401 45.494 45.100 -0.011 0.000 0.845 200 G HN 1.257 nan 8.290 nan 0.000 0.572 201 D N -1.215 119.182 120.400 -0.004 0.000 2.837 201 D HA 0.185 4.826 4.640 0.001 0.000 0.230 201 D C 2.007 178.304 176.300 -0.005 0.000 1.152 201 D CA 3.498 57.498 54.000 -0.000 0.000 0.736 201 D CB -1.095 39.711 40.800 0.009 0.000 1.084 201 D HN 2.615 nan 8.370 nan 0.000 0.429 202 G N -2.307 106.482 108.800 -0.018 0.000 2.212 202 G HA2 -0.318 3.643 3.960 0.001 0.000 0.266 202 G HA3 -0.318 3.643 3.960 0.001 0.000 0.266 202 G C 0.479 175.364 174.900 -0.026 0.000 0.978 202 G CA 0.320 45.403 45.100 -0.029 0.000 0.632 202 G HN 0.954 nan 8.290 nan 0.000 0.537 203 V N 1.876 121.785 119.914 -0.009 0.000 2.583 203 V HA 0.538 4.658 4.120 0.001 0.000 0.287 203 V C 0.334 176.424 176.094 -0.006 0.000 1.051 203 V CA -0.141 62.162 62.300 0.005 0.000 1.010 203 V CB 1.576 33.417 31.823 0.029 0.000 0.988 203 V HN 0.247 nan 8.190 nan 0.000 0.478 204 K N 3.275 123.674 120.400 -0.003 0.000 2.318 204 K HA 0.697 5.018 4.320 0.001 0.000 0.249 204 K C -1.327 175.289 176.600 0.026 0.000 0.942 204 K CA -0.706 55.572 56.287 -0.015 0.000 0.808 204 K CB 2.596 35.067 32.500 -0.048 0.000 1.189 204 K HN 0.369 nan 8.250 nan 0.000 0.428 205 V N 1.493 121.427 119.914 0.033 0.000 2.407 205 V HA 0.217 4.337 4.120 0.001 0.000 0.291 205 V C -0.612 175.505 176.094 0.039 0.000 1.018 205 V CA -0.953 61.399 62.300 0.086 0.000 0.842 205 V CB 1.626 33.572 31.823 0.205 0.000 0.996 205 V HN 0.866 nan 8.190 nan 0.000 0.426 206 C N 7.625 126.944 119.300 0.031 0.000 2.281 206 C HA 0.667 5.128 4.460 0.001 0.000 0.323 206 C C -0.025 174.965 174.990 0.001 0.000 1.270 206 C CA -0.547 58.471 59.018 -0.001 0.000 1.559 206 C CB -0.863 26.874 27.740 -0.004 0.000 2.239 206 C HN 0.801 nan 8.230 nan 0.000 0.488 207 I N 6.013 126.558 120.570 -0.041 0.000 2.353 207 I HA 0.513 4.684 4.170 0.001 0.000 0.293 207 I C 0.629 176.729 176.117 -0.028 0.000 0.992 207 I CA 0.484 61.736 61.300 -0.080 0.000 1.268 207 I CB 1.667 39.490 38.000 -0.295 0.000 1.387 207 I HN 0.739 nan 8.210 nan 0.000 0.478 208 T N 4.844 119.404 114.554 0.010 0.000 2.665 208 T HA 0.454 4.804 4.350 0.001 0.000 0.303 208 T C -1.903 172.824 174.700 0.045 0.000 1.334 208 T CA -0.623 61.492 62.100 0.025 0.000 1.011 208 T CB 1.811 70.686 68.868 0.011 0.000 1.573 208 T HN 0.797 nan 8.240 nan 0.000 0.492 209 E N 0.247 120.470 120.200 0.038 0.000 2.383 209 E HA 0.725 5.075 4.350 0.001 0.000 0.275 209 E C -1.368 175.258 176.600 0.044 0.000 0.918 209 E CA -0.860 55.575 56.400 0.058 0.000 0.764 209 E CB 2.026 31.771 29.700 0.076 0.000 1.252 209 E HN 0.464 nan 8.360 nan 0.000 0.449 210 S N 0.725 116.475 115.700 0.083 0.000 2.661 210 S HA 0.438 4.908 4.470 0.001 0.000 0.285 210 S C -1.119 173.564 174.600 0.138 0.000 1.138 210 S CA 0.179 58.419 58.200 0.067 0.000 0.855 210 S CB 1.217 64.415 63.200 -0.003 0.000 1.136 210 S HN 0.859 nan 8.310 nan 0.000 0.484 211 D N 0.563 121.034 120.400 0.118 0.000 2.718 211 D HA -0.155 4.486 4.640 0.001 0.000 0.242 211 D C -0.735 175.621 176.300 0.094 0.000 1.123 211 D CA 0.397 54.475 54.000 0.130 0.000 0.690 211 D CB -1.226 39.667 40.800 0.154 0.000 1.059 211 D HN 0.333 nan 8.370 nan 0.000 0.429 212 L N 1.413 122.725 121.223 0.148 0.000 2.480 212 L HA 0.343 4.684 4.340 0.001 0.000 0.243 212 L C 0.197 177.150 176.870 0.138 0.000 1.315 212 L CA 0.159 55.086 54.840 0.145 0.000 1.231 212 L CB 0.032 42.167 42.059 0.128 0.000 1.444 212 L HN 0.242 nan 8.230 nan 0.000 0.409 213 E N 1.668 121.796 120.200 -0.119 0.000 2.166 213 E HA 0.170 4.521 4.350 0.001 0.000 0.275 213 E C 0.239 176.757 176.600 -0.136 0.000 0.941 213 E CA -0.675 55.431 56.400 -0.490 0.000 0.784 213 E CB 0.694 29.722 29.700 -1.120 0.000 1.115 213 E HN 0.423 nan 8.360 nan 0.000 0.399 214 N N 3.105 121.789 118.700 -0.026 0.000 2.705 214 N HA -0.283 4.457 4.740 0.001 0.000 0.255 214 N C -2.176 173.462 175.510 0.214 0.000 1.008 214 N CA 1.212 54.316 53.050 0.090 0.000 0.742 214 N CB -1.065 37.447 38.487 0.042 0.000 0.906 214 N HN 0.567 nan 8.380 nan 0.000 0.541 215 Y N -1.020 119.317 120.300 0.061 0.000 2.558 215 Y HA 0.474 5.025 4.550 0.001 0.000 0.333 215 Y C -2.607 173.334 175.900 0.068 0.000 1.125 215 Y CA -1.754 56.395 58.100 0.083 0.000 1.039 215 Y CB 1.702 40.229 38.460 0.111 0.000 1.331 215 Y HN 0.001 nan 8.280 nan 0.000 0.456 216 P HA 0.185 nan 4.420 nan 0.000 0.271 216 P C -0.087 177.273 177.300 0.101 0.000 1.218 216 P CA 0.161 63.187 63.100 -0.124 0.000 0.780 216 P CB 0.959 32.532 31.700 -0.211 0.000 0.901 217 G N 2.310 111.113 108.800 0.005 0.000 2.527 217 G HA2 0.317 4.278 3.960 0.001 0.000 0.248 217 G HA3 0.317 4.278 3.960 0.001 0.000 0.248 217 G C -0.677 174.176 174.900 -0.078 0.000 1.231 217 G CA -0.638 44.395 45.100 -0.112 0.000 0.838 217 G HN 0.589 nan 8.290 nan 0.000 0.570 218 L N 1.634 122.789 121.223 -0.112 0.000 2.265 218 L HA 0.518 4.858 4.340 0.001 0.000 0.288 218 L C -0.870 175.897 176.870 -0.171 0.000 1.058 218 L CA -0.898 53.816 54.840 -0.209 0.000 0.809 218 L CB 0.308 42.384 42.059 0.028 0.000 1.179 218 L HN 0.506 nan 8.230 nan 0.000 0.429 219 Y N 4.509 124.786 120.300 -0.039 0.000 2.453 219 Y HA 0.553 5.104 4.550 0.001 0.000 0.326 219 Y C -0.064 175.884 175.900 0.079 0.000 1.186 219 Y CA -0.532 57.635 58.100 0.112 0.000 1.200 219 Y CB 1.562 40.139 38.460 0.195 0.000 1.247 219 Y HN 0.394 nan 8.280 nan 0.000 0.482 220 L N 1.240 122.633 121.223 0.283 0.000 2.333 220 L HA 0.672 5.012 4.340 0.001 0.000 0.269 220 L C -0.430 176.555 176.870 0.192 0.000 1.010 220 L CA -0.709 54.255 54.840 0.205 0.000 0.818 220 L CB 2.136 44.287 42.059 0.153 0.000 1.306 220 L HN 0.598 nan 8.230 nan 0.000 0.430 221 S N 0.444 116.244 115.700 0.165 0.000 2.546 221 S HA 0.711 5.181 4.470 0.001 0.000 0.274 221 S C -0.150 174.538 174.600 0.146 0.000 1.121 221 S CA -0.053 58.237 58.200 0.150 0.000 0.887 221 S CB 2.021 65.275 63.200 0.090 0.000 1.094 221 S HN 0.675 nan 8.310 nan 0.000 0.474 222 A N 2.221 125.131 122.820 0.150 0.000 2.500 222 A HA 0.331 4.652 4.320 0.001 0.000 0.267 222 A C 1.592 179.247 177.584 0.119 0.000 1.290 222 A CA 0.525 52.644 52.037 0.135 0.000 0.928 222 A CB -0.684 18.397 19.000 0.134 0.000 1.066 222 A HN 1.168 nan 8.150 nan 0.000 0.516 223 S N -0.189 115.580 115.700 0.115 0.000 2.423 223 S HA -0.034 4.437 4.470 0.001 0.000 0.231 223 S C 0.472 175.120 174.600 0.079 0.000 1.014 223 S CA 0.572 58.833 58.200 0.101 0.000 0.965 223 S CB -0.132 63.130 63.200 0.104 0.000 0.785 223 S HN 0.607 nan 8.310 nan 0.000 0.495 224 E N 0.944 121.190 120.200 0.077 0.000 2.183 224 E HA 0.561 4.912 4.350 0.001 0.000 0.271 224 E C 0.533 177.176 176.600 0.072 0.000 0.919 224 E CA -0.384 56.056 56.400 0.066 0.000 0.781 224 E CB 1.575 31.308 29.700 0.056 0.000 1.140 224 E HN 0.441 nan 8.360 nan 0.000 0.402 225 G N 1.835 110.671 108.800 0.060 0.000 2.749 225 G HA2 -0.091 3.870 3.960 0.001 0.000 0.242 225 G HA3 -0.091 3.870 3.960 0.001 0.000 0.242 225 G C -0.542 174.401 174.900 0.071 0.000 1.364 225 G CA -0.368 44.768 45.100 0.060 0.000 0.888 225 G HN 0.758 nan 8.290 nan 0.000 0.566 226 A N -0.274 122.588 122.820 0.071 0.000 2.330 226 A HA 0.720 5.040 4.320 0.001 0.000 0.327 226 A C 0.791 178.438 177.584 0.105 0.000 1.155 226 A CA 0.544 52.627 52.037 0.077 0.000 0.803 226 A CB 0.648 19.685 19.000 0.061 0.000 1.208 226 A HN 1.889 nan 8.150 nan 0.000 0.477 227 N N -0.121 118.651 118.700 0.120 0.000 2.721 227 N HA -0.183 4.557 4.740 0.001 0.000 0.249 227 N C -0.229 175.446 175.510 0.276 0.000 1.072 227 N CA 1.748 54.904 53.050 0.177 0.000 0.710 227 N CB -0.857 37.734 38.487 0.172 0.000 0.993 227 N HN 0.844 nan 8.380 nan 0.000 0.547 228 R N 0.268 120.904 120.500 0.226 0.000 2.575 228 R HA 0.554 4.894 4.340 0.001 0.000 0.293 228 R C -1.048 175.398 176.300 0.244 0.000 0.983 228 R CA -0.608 55.635 56.100 0.238 0.000 0.887 228 R CB 1.100 31.482 30.300 0.137 0.000 1.184 228 R HN 0.101 nan 8.270 nan 0.000 0.445 229 L N 3.000 124.418 121.223 0.325 0.000 2.296 229 L HA 0.467 4.808 4.340 0.001 0.000 0.286 229 L C -0.154 176.891 176.870 0.291 0.000 1.023 229 L CA -0.591 54.428 54.840 0.298 0.000 0.812 229 L CB 1.867 44.133 42.059 0.345 0.000 1.223 229 L HN 0.639 nan 8.230 nan 0.000 0.421 230 S N 1.539 117.368 115.700 0.215 0.000 2.578 230 S HA 0.653 5.124 4.470 0.001 0.000 0.301 230 S C -0.176 174.535 174.600 0.184 0.000 1.091 230 S CA -0.595 57.715 58.200 0.183 0.000 1.032 230 S CB 1.708 64.977 63.200 0.115 0.000 1.064 230 S HN 0.664 nan 8.310 nan 0.000 0.508 231 S N 3.422 119.229 115.700 0.179 0.000 2.672 231 S HA 0.799 5.269 4.470 0.001 0.000 0.276 231 S C -0.382 174.275 174.600 0.095 0.000 1.207 231 S CA -0.727 57.564 58.200 0.152 0.000 1.002 231 S CB 1.010 64.326 63.200 0.192 0.000 0.998 231 S HN 0.851 nan 8.310 nan 0.000 0.542 232 M N 1.325 120.947 119.600 0.036 0.000 2.490 232 M HA 0.406 4.886 4.480 0.001 0.000 0.286 232 M C -2.312 173.994 176.300 0.010 0.000 1.185 232 M CA -0.295 55.050 55.300 0.077 0.000 0.912 232 M CB 1.982 34.614 32.600 0.052 0.000 1.744 232 M HN 1.049 nan 8.290 nan 0.000 0.494 233 H N 0.909 120.055 119.070 0.127 0.000 2.747 233 H HA 0.734 5.291 4.556 0.001 0.000 0.371 233 H C -0.433 174.671 175.328 -0.373 0.000 1.161 233 H CA -0.330 55.734 56.048 0.027 0.000 1.167 233 H CB 1.975 31.689 29.762 -0.081 0.000 1.732 233 H HN 0.768 nan 8.280 nan 0.000 0.544 234 A N 3.560 126.068 122.820 -0.521 0.000 2.450 234 A HA 0.278 4.599 4.320 0.001 0.000 0.255 234 A C -2.134 175.096 177.584 -0.589 0.000 1.096 234 A CA -1.126 50.147 52.037 -1.273 0.000 0.778 234 A CB -0.445 18.082 19.000 -0.789 0.000 1.031 234 A HN 0.514 nan 8.150 nan 0.000 0.494 235 P HA 0.007 nan 4.420 nan 0.000 0.272 235 P C -0.627 176.559 177.300 -0.190 0.000 1.230 235 P CA 0.021 62.943 63.100 -0.297 0.000 0.788 235 P CB 0.395 31.879 31.700 -0.361 0.000 0.949 236 Y N 3.140 123.287 120.300 -0.256 0.000 2.497 236 Y HA 0.135 4.686 4.550 0.001 0.000 0.334 236 Y C -1.691 174.120 175.900 -0.148 0.000 1.199 236 Y CA -1.272 56.706 58.100 -0.203 0.000 1.425 236 Y CB 0.261 38.554 38.460 -0.278 0.000 1.291 236 Y HN 0.282 nan 8.280 nan 0.000 0.562 237 P HA 0.145 nan 4.420 nan 0.000 0.285 237 P C -1.319 176.003 177.300 0.037 0.000 1.259 237 P CA -0.397 62.634 63.100 -0.115 0.000 0.794 237 P CB 1.594 33.177 31.700 -0.195 0.000 0.940 238 K N 2.658 123.084 120.400 0.042 0.000 2.370 238 K HA 0.241 4.561 4.320 0.001 0.000 0.194 238 K C 0.798 177.414 176.600 0.026 0.000 1.070 238 K CA -0.105 56.218 56.287 0.060 0.000 0.998 238 K CB 0.924 33.435 32.500 0.018 0.000 0.911 238 K HN 0.203 nan 8.250 nan 0.000 0.533 239 R N 1.522 122.019 120.500 -0.005 0.000 2.518 239 R HA 0.175 4.516 4.340 0.001 0.000 0.287 239 R C -1.643 174.636 176.300 -0.035 0.000 1.135 239 R CA -0.262 55.828 56.100 -0.017 0.000 0.967 239 R CB 1.747 32.030 30.300 -0.027 0.000 1.212 239 R HN 0.308 nan 8.270 nan 0.000 0.422 240 T N -0.125 114.408 114.554 -0.034 0.000 2.885 240 T HA 0.691 5.042 4.350 0.001 0.000 0.285 240 T C -0.537 174.125 174.700 -0.064 0.000 1.019 240 T CA -0.693 61.374 62.100 -0.055 0.000 1.010 240 T CB 2.034 70.878 68.868 -0.040 0.000 1.022 240 T HN 0.147 nan 8.240 nan 0.000 0.466 241 V N 2.331 122.190 119.914 -0.092 0.000 2.735 241 V HA 0.447 4.568 4.120 0.001 0.000 0.310 241 V C 0.085 176.100 176.094 -0.133 0.000 1.061 241 V CA -1.078 61.160 62.300 -0.102 0.000 0.913 241 V CB 1.855 33.625 31.823 -0.089 0.000 1.005 241 V HN 1.077 nan 8.190 nan 0.000 0.428 242 Q N 1.665 121.362 119.800 -0.172 0.000 2.364 242 Q HA 0.509 4.850 4.340 0.001 0.000 0.267 242 Q C 0.336 176.261 176.000 -0.125 0.000 0.999 242 Q CA 1.005 56.674 55.803 -0.223 0.000 0.886 242 Q CB 0.963 29.514 28.738 -0.312 0.000 1.243 242 Q HN 1.089 nan 8.270 nan 0.000 0.415 243 G N 1.187 109.937 108.800 -0.084 0.000 2.452 243 G HA2 0.420 4.380 3.960 0.001 0.000 0.224 243 G HA3 0.420 4.380 3.960 0.001 0.000 0.224 243 G C -0.084 174.827 174.900 0.019 0.000 1.208 243 G CA 0.067 45.144 45.100 -0.039 0.000 0.946 243 G HN 1.248 nan 8.290 nan 0.000 0.481 244 G N -0.522 108.310 108.800 0.054 0.000 2.601 244 G HA2 0.025 3.986 3.960 0.001 0.000 0.261 244 G HA3 0.025 3.986 3.960 0.001 0.000 0.261 244 G C 0.258 175.196 174.900 0.064 0.000 1.289 244 G CA 1.186 46.367 45.100 0.136 0.000 0.920 244 G HN 2.230 nan 8.290 nan 0.000 0.571 245 H N 2.195 121.228 119.070 -0.060 0.000 3.267 245 H HA 0.128 4.685 4.556 0.001 0.000 0.239 245 H C 1.456 176.673 175.328 -0.186 0.000 0.836 245 H CA 1.362 57.260 56.048 -0.251 0.000 1.388 245 H CB -0.807 28.455 29.762 -0.833 0.000 1.505 245 H HN 0.674 nan 8.280 nan 0.000 0.510 246 N N 4.691 123.167 118.700 -0.373 0.000 2.716 246 N HA -0.246 4.495 4.740 0.001 0.000 0.250 246 N C -0.517 174.935 175.510 -0.096 0.000 1.033 246 N CA 1.218 54.121 53.050 -0.245 0.000 0.727 246 N CB -0.607 37.695 38.487 -0.307 0.000 0.950 246 N HN 0.780 nan 8.380 nan 0.000 0.541 247 Q N -2.871 116.894 119.800 -0.057 0.000 2.481 247 Q HA -0.195 4.146 4.340 0.001 0.000 0.272 247 Q C 0.747 176.765 176.000 0.030 0.000 1.157 247 Q CA 0.898 56.689 55.803 -0.020 0.000 0.935 247 Q CB -1.927 26.796 28.738 -0.026 0.000 1.338 247 Q HN 0.686 nan 8.270 nan 0.000 0.494 248 L N -0.816 120.448 121.223 0.068 0.000 2.728 248 L HA 0.153 4.494 4.340 0.001 0.000 0.238 248 L C 0.829 177.842 176.870 0.238 0.000 1.143 248 L CA 0.225 55.156 54.840 0.152 0.000 0.937 248 L CB 0.385 42.542 42.059 0.163 0.000 1.225 248 L HN 0.137 nan 8.230 nan 0.000 0.507 249 Q N 0.343 120.259 119.800 0.193 0.000 2.301 249 Q HA 0.514 4.854 4.340 0.001 0.000 0.267 249 Q C -0.687 175.393 176.000 0.134 0.000 1.035 249 Q CA -0.767 55.193 55.803 0.262 0.000 0.856 249 Q CB 2.621 31.539 28.738 0.300 0.000 1.337 249 Q HN -0.010 nan 8.270 nan 0.000 0.450 250 M N 2.884 122.582 119.600 0.163 0.000 2.027 250 M HA 0.300 4.780 4.480 0.001 0.000 0.329 250 M C -1.295 174.960 176.300 -0.074 0.000 0.971 250 M CA -0.794 54.529 55.300 0.037 0.000 0.933 250 M CB 0.244 32.955 32.600 0.185 0.000 1.392 250 M HN 0.442 nan 8.290 nan 0.000 0.394 251 L N 2.483 123.599 121.223 -0.179 0.000 2.426 251 L HA 0.295 4.636 4.340 0.001 0.000 0.271 251 L C 0.389 177.115 176.870 -0.240 0.000 1.169 251 L CA -0.042 54.579 54.840 -0.366 0.000 0.836 251 L CB 0.325 42.119 42.059 -0.441 0.000 1.112 251 L HN 0.295 nan 8.230 nan 0.000 0.465 252 V N 4.269 124.035 119.914 -0.246 0.000 2.353 252 V HA 0.200 4.321 4.120 0.001 0.000 0.264 252 V C 1.052 177.090 176.094 -0.092 0.000 1.049 252 V CA -0.469 61.759 62.300 -0.121 0.000 0.896 252 V CB 0.605 32.391 31.823 -0.061 0.000 1.025 252 V HN 0.690 nan 8.190 nan 0.000 0.475 253 K N 2.725 123.080 120.400 -0.075 0.000 2.242 253 K HA 0.253 4.574 4.320 0.001 0.000 0.200 253 K C 0.495 177.073 176.600 -0.037 0.000 1.050 253 K CA 0.643 56.895 56.287 -0.058 0.000 0.981 253 K CB 0.620 33.080 32.500 -0.066 0.000 0.795 253 K HN 0.660 nan 8.250 nan 0.000 0.477 254 E N 0.283 120.457 120.200 -0.043 0.000 2.317 254 E HA 0.242 4.593 4.350 0.001 0.000 0.270 254 E C -1.146 175.424 176.600 -0.049 0.000 0.885 254 E CA -0.658 55.686 56.400 -0.094 0.000 0.760 254 E CB 1.877 31.516 29.700 -0.102 0.000 1.227 254 E HN 0.213 nan 8.360 nan 0.000 0.434 255 H N -0.770 118.277 119.070 -0.039 0.000 2.797 255 H HA 0.443 5.000 4.556 0.001 0.000 0.372 255 H C -0.441 174.828 175.328 -0.098 0.000 1.168 255 H CA -1.006 55.003 56.048 -0.066 0.000 1.163 255 H CB 1.045 30.772 29.762 -0.059 0.000 1.778 255 H HN 0.141 nan 8.280 nan 0.000 0.551 256 E N 0.501 120.686 120.200 -0.024 0.000 2.405 256 E HA 0.055 4.406 4.350 0.001 0.000 0.253 256 E C -0.019 176.501 176.600 -0.133 0.000 1.257 256 E CA -0.333 55.926 56.400 -0.235 0.000 0.960 256 E CB 0.470 29.694 29.700 -0.793 0.000 1.077 256 E HN 0.733 nan 8.360 nan 0.000 0.512 257 D N -0.070 120.233 120.400 -0.161 0.000 2.358 257 D HA 0.082 4.723 4.640 0.001 0.000 0.224 257 D C -0.244 176.086 176.300 0.050 0.000 1.123 257 D CA 0.257 54.263 54.000 0.010 0.000 0.833 257 D CB -0.022 40.821 40.800 0.071 0.000 0.946 257 D HN 0.266 nan 8.370 nan 0.000 0.505 258 Y N -1.882 118.428 120.300 0.016 0.000 2.615 258 Y HA 0.402 4.952 4.550 0.001 0.000 0.341 258 Y C 0.965 176.848 175.900 -0.030 0.000 1.089 258 Y CA -1.271 56.805 58.100 -0.040 0.000 1.049 258 Y CB 0.589 39.003 38.460 -0.076 0.000 1.296 258 Y HN -0.230 nan 8.280 nan 0.000 0.470 259 I N -0.839 119.781 120.570 0.084 0.000 3.462 259 I HA 0.737 4.908 4.170 0.001 0.000 0.290 259 I C 0.445 176.581 176.117 0.031 0.000 1.236 259 I CA 0.319 61.596 61.300 -0.039 0.000 1.418 259 I CB 0.429 38.304 38.000 -0.209 0.000 1.102 259 I HN 0.618 nan 8.210 nan 0.000 0.441 260 A N 1.015 123.901 122.820 0.111 0.000 2.589 260 A HA 0.654 4.975 4.320 0.001 0.000 0.296 260 A C -1.209 176.378 177.584 0.006 0.000 1.062 260 A CA -0.784 51.308 52.037 0.092 0.000 0.686 260 A CB 1.352 20.285 19.000 -0.112 0.000 1.282 260 A HN 0.151 nan 8.150 nan 0.000 0.404 261 K N 0.331 120.703 120.400 -0.046 0.000 2.159 261 K HA 0.640 4.960 4.320 0.001 0.000 0.266 261 K C -1.187 175.316 176.600 -0.161 0.000 0.975 261 K CA -0.686 55.471 56.287 -0.218 0.000 0.865 261 K CB 2.253 34.599 32.500 -0.257 0.000 1.087 261 K HN 0.660 nan 8.250 nan 0.000 0.446 262 V N 3.131 122.847 119.914 -0.331 0.000 2.612 262 V HA 0.256 4.377 4.120 0.001 0.000 0.301 262 V C -1.554 174.292 176.094 -0.414 0.000 1.059 262 V CA -0.485 61.600 62.300 -0.360 0.000 0.886 262 V CB 1.558 33.101 31.823 -0.467 0.000 1.007 262 V HN 0.947 nan 8.190 nan 0.000 0.426 263 D N 3.995 124.264 120.400 -0.218 0.000 2.599 263 D HA 0.345 4.986 4.640 0.001 0.000 0.249 263 D C -0.196 176.061 176.300 -0.071 0.000 1.313 263 D CA -0.178 53.739 54.000 -0.138 0.000 0.815 263 D CB 0.282 41.025 40.800 -0.096 0.000 1.077 263 D HN 0.586 nan 8.370 nan 0.000 0.492 264 K N -0.141 120.214 120.400 -0.075 0.000 2.575 264 K HA 0.452 4.772 4.320 0.001 0.000 0.279 264 K C -3.072 173.508 176.600 -0.033 0.000 0.969 264 K CA -1.902 54.364 56.287 -0.036 0.000 0.868 264 K CB 2.254 34.727 32.500 -0.044 0.000 1.457 264 K HN -0.231 nan 8.250 nan 0.000 0.426 265 P HA 0.087 nan 4.420 nan 0.000 0.268 265 P C -1.241 176.002 177.300 -0.094 0.000 1.205 265 P CA -0.006 63.089 63.100 -0.007 0.000 0.771 265 P CB 0.482 32.184 31.700 0.004 0.000 0.858 266 R N 0.298 120.694 120.500 -0.173 0.000 2.728 266 R HA 0.433 4.774 4.340 0.001 0.000 0.274 266 R C -1.470 174.566 176.300 -0.439 0.000 1.032 266 R CA -1.005 54.914 56.100 -0.302 0.000 0.866 266 R CB 0.761 30.828 30.300 -0.389 0.000 1.263 266 R HN 0.175 nan 8.270 nan 0.000 0.475 267 N N 0.091 118.553 118.700 -0.397 0.000 2.509 267 N HA 0.407 5.148 4.740 0.001 0.000 0.287 267 N C -1.261 173.919 175.510 -0.551 0.000 1.121 267 N CA -0.389 52.430 53.050 -0.385 0.000 0.977 267 N CB 0.854 39.179 38.487 -0.269 0.000 1.167 267 N HN 0.207 nan 8.380 nan 0.000 0.476 268 F N 0.783 120.596 119.950 -0.229 0.000 2.457 268 F HA 0.460 4.987 4.527 0.001 0.000 0.330 268 F C -1.769 173.810 175.800 -0.368 0.000 1.069 268 F CA -2.165 55.634 58.000 -0.335 0.000 1.009 268 F CB 0.871 39.674 39.000 -0.329 0.000 1.276 268 F HN 0.244 nan 8.300 nan 0.000 0.492 269 P HA -0.120 nan 4.420 nan 0.000 0.265 269 P C -1.168 176.063 177.300 -0.114 0.000 1.187 269 P CA 0.107 63.160 63.100 -0.078 0.000 0.766 269 P CB 0.302 32.005 31.700 0.006 0.000 0.820 270 W N 3.095 124.323 121.300 -0.119 0.000 2.238 270 W HA 0.255 4.915 4.660 0.001 0.000 0.321 270 W C 0.704 177.080 176.519 -0.238 0.000 1.293 270 W CA 0.039 57.259 57.345 -0.208 0.000 1.204 270 W CB 0.411 29.772 29.460 -0.166 0.000 1.167 270 W HN 0.125 nan 8.180 nan 0.000 0.553 271 R N 3.570 123.952 120.500 -0.196 0.000 2.246 271 R HA 0.438 4.779 4.340 0.001 0.000 0.332 271 R C -0.794 175.490 176.300 -0.026 0.000 0.974 271 R CA -0.307 55.688 56.100 -0.176 0.000 0.837 271 R CB 0.295 30.295 30.300 -0.499 0.000 1.145 271 R HN 0.374 nan 8.270 nan 0.000 0.467 272 I N 1.611 122.233 120.570 0.086 0.000 2.354 272 I HA 0.469 4.640 4.170 0.001 0.000 0.292 272 I C 0.052 176.258 176.117 0.148 0.000 0.989 272 I CA -0.869 60.483 61.300 0.088 0.000 1.188 272 I CB 2.088 40.087 38.000 -0.002 0.000 1.342 272 I HN 0.560 nan 8.210 nan 0.000 0.457 273 A N 6.959 129.901 122.820 0.204 0.000 2.654 273 A HA 0.559 4.880 4.320 0.001 0.000 0.345 273 A C -0.279 177.397 177.584 0.153 0.000 1.368 273 A CA -0.482 51.694 52.037 0.231 0.000 0.895 273 A CB 0.138 19.380 19.000 0.402 0.000 1.143 273 A HN 0.475 nan 8.150 nan 0.000 0.490 274 V N 2.136 122.100 119.914 0.084 0.000 2.585 274 V HA 0.215 4.335 4.120 0.001 0.000 0.296 274 V C 0.155 176.297 176.094 0.079 0.000 1.035 274 V CA 0.182 62.514 62.300 0.053 0.000 1.084 274 V CB 1.056 32.888 31.823 0.015 0.000 0.953 274 V HN 0.510 nan 8.190 nan 0.000 0.483 275 V N 4.547 124.510 119.914 0.082 0.000 2.525 275 V HA 0.649 4.770 4.120 0.001 0.000 0.299 275 V C -0.005 176.128 176.094 0.064 0.000 1.034 275 V CA -0.399 61.953 62.300 0.086 0.000 0.863 275 V CB 2.074 33.965 31.823 0.114 0.000 0.999 275 V HN 1.054 nan 8.190 nan 0.000 0.423 276 T N -0.589 113.993 114.554 0.048 0.000 2.906 276 T HA 0.500 4.851 4.350 0.001 0.000 0.295 276 T C 0.571 175.287 174.700 0.026 0.000 1.061 276 T CA 0.107 62.228 62.100 0.036 0.000 1.000 276 T CB 1.967 70.852 68.868 0.028 0.000 1.103 276 T HN 0.700 nan 8.240 nan 0.000 0.486 277 T N -2.137 112.431 114.554 0.024 0.000 3.069 277 T HA 0.335 4.686 4.350 0.001 0.000 0.252 277 T C 0.629 175.331 174.700 0.005 0.000 1.053 277 T CA 0.398 62.508 62.100 0.017 0.000 0.964 277 T CB -0.349 68.533 68.868 0.024 0.000 1.005 277 T HN 1.113 nan 8.240 nan 0.000 0.532 278 T N -1.235 113.321 114.554 0.003 0.000 2.993 278 T HA 0.433 4.784 4.350 0.001 0.000 0.312 278 T C -0.465 174.230 174.700 -0.009 0.000 1.115 278 T CA -0.711 61.384 62.100 -0.008 0.000 1.027 278 T CB 1.965 70.838 68.868 0.009 0.000 1.116 278 T HN -0.232 nan 8.240 nan 0.000 0.464 279 D N 1.428 121.796 120.400 -0.053 0.000 2.182 279 D HA -0.123 4.518 4.640 0.001 0.000 0.201 279 D C 2.032 178.428 176.300 0.161 0.000 0.986 279 D CA 1.503 55.471 54.000 -0.052 0.000 0.847 279 D CB 0.034 40.628 40.800 -0.344 0.000 0.942 279 D HN 0.874 nan 8.370 nan 0.000 0.467 280 K N 0.550 121.017 120.400 0.111 0.000 2.147 280 K HA -0.127 4.194 4.320 0.001 0.000 0.205 280 K C 1.104 177.737 176.600 0.056 0.000 1.049 280 K CA 1.264 57.617 56.287 0.109 0.000 0.936 280 K CB -0.027 32.503 32.500 0.050 0.000 0.722 280 K HN -0.058 nan 8.250 nan 0.000 0.446 281 D N 1.271 121.698 120.400 0.046 0.000 2.224 281 D HA -0.087 4.554 4.640 0.001 0.000 0.205 281 D C 1.888 178.204 176.300 0.027 0.000 0.965 281 D CA 0.594 54.609 54.000 0.026 0.000 0.852 281 D CB 0.005 40.821 40.800 0.028 0.000 0.947 281 D HN 0.219 nan 8.370 nan 0.000 0.494 282 L N 0.662 121.925 121.223 0.066 0.000 2.005 282 L HA -0.131 4.210 4.340 0.001 0.000 0.207 282 L C 2.243 179.133 176.870 0.034 0.000 1.072 282 L CA 1.242 56.126 54.840 0.073 0.000 0.744 282 L CB -0.193 41.949 42.059 0.138 0.000 0.895 282 L HN -0.042 nan 8.230 nan 0.000 0.433 283 A N -0.541 122.292 122.820 0.022 0.000 2.019 283 A HA -0.113 4.208 4.320 0.001 0.000 0.219 283 A C 2.211 179.701 177.584 -0.155 0.000 1.164 283 A CA 1.560 53.480 52.037 -0.195 0.000 0.644 283 A CB -0.564 18.142 19.000 -0.490 0.000 0.805 283 A HN 0.551 nan 8.150 nan 0.000 0.449 284 A N -1.490 121.271 122.820 -0.098 0.000 2.132 284 A HA 0.243 4.564 4.320 0.001 0.000 0.213 284 A C 1.413 178.949 177.584 -0.080 0.000 1.154 284 A CA 0.922 52.898 52.037 -0.102 0.000 0.753 284 A CB -0.745 18.209 19.000 -0.078 0.000 0.826 284 A HN 0.348 nan 8.150 nan 0.000 0.469 285 T N 1.250 115.770 114.554 -0.056 0.000 2.905 285 T HA -0.012 4.338 4.350 0.001 0.000 0.299 285 T C 0.701 175.366 174.700 -0.057 0.000 1.024 285 T CA 0.319 62.386 62.100 -0.055 0.000 1.151 285 T CB -0.159 68.678 68.868 -0.051 0.000 0.987 285 T HN 0.399 nan 8.240 nan 0.000 0.535 286 N N 4.508 123.169 118.700 -0.064 0.000 2.280 286 N HA 0.117 4.857 4.740 0.001 0.000 0.192 286 N C 1.836 177.310 175.510 -0.061 0.000 1.109 286 N CA -0.009 53.029 53.050 -0.021 0.000 0.855 286 N CB 0.068 38.547 38.487 -0.014 0.000 0.974 286 N HN 0.588 nan 8.380 nan 0.000 0.482 287 L N 0.411 121.521 121.223 -0.187 0.000 2.034 287 L HA -0.282 4.059 4.340 0.001 0.000 0.217 287 L C 2.493 179.227 176.870 -0.227 0.000 1.077 287 L CA 1.371 56.011 54.840 -0.333 0.000 0.769 287 L CB -0.698 41.145 42.059 -0.359 0.000 0.890 287 L HN 0.179 nan 8.230 nan 0.000 0.435 288 S N -1.112 114.520 115.700 -0.114 0.000 2.365 288 S HA -0.291 4.180 4.470 0.001 0.000 0.225 288 S C 2.015 176.576 174.600 -0.064 0.000 1.039 288 S CA 1.700 59.850 58.200 -0.083 0.000 1.033 288 S CB -0.403 62.773 63.200 -0.041 0.000 0.887 288 S HN 0.469 nan 8.310 nan 0.000 0.447 289 Y N 1.529 121.770 120.300 -0.100 0.000 2.220 289 Y HA 0.124 4.674 4.550 0.001 0.000 0.291 289 Y C 1.966 177.812 175.900 -0.090 0.000 1.129 289 Y CA 1.394 59.440 58.100 -0.090 0.000 1.161 289 Y CB -0.288 38.174 38.460 0.003 0.000 0.997 289 Y HN 0.243 nan 8.280 nan 0.000 0.522 290 L N -0.414 120.868 121.223 0.098 0.000 2.131 290 L HA -0.213 4.128 4.340 0.001 0.000 0.210 290 L C 1.647 178.427 176.870 -0.150 0.000 1.092 290 L CA 1.064 55.907 54.840 0.006 0.000 0.759 290 L CB -0.411 41.598 42.059 -0.084 0.000 0.903 290 L HN 0.240 nan 8.230 nan 0.000 0.435 291 L N -0.476 120.579 121.223 -0.280 0.000 2.653 291 L HA 0.222 4.562 4.340 0.001 0.000 0.231 291 L C 1.106 177.887 176.870 -0.149 0.000 1.153 291 L CA -0.516 54.072 54.840 -0.421 0.000 0.933 291 L CB -0.384 41.187 42.059 -0.813 0.000 1.175 291 L HN 0.114 nan 8.230 nan 0.000 0.473 292 G N 0.109 108.819 108.800 -0.150 0.000 2.448 292 G HA2 0.518 4.479 3.960 0.001 0.000 0.285 292 G HA3 0.518 4.479 3.960 0.001 0.000 0.285 292 G C 0.030 174.892 174.900 -0.064 0.000 1.176 292 G CA -0.243 44.790 45.100 -0.112 0.000 0.852 292 G HN 0.202 nan 8.290 nan 0.000 0.530 293 A N 2.658 125.478 122.820 -0.000 0.000 2.511 293 A HA 0.489 4.810 4.320 0.001 0.000 0.242 293 A C -1.822 175.724 177.584 -0.063 0.000 1.069 293 A CA -0.692 51.345 52.037 0.000 0.000 0.763 293 A CB -0.141 18.870 19.000 0.018 0.000 1.001 293 A HN 0.502 nan 8.150 nan 0.000 0.498 294 P HA -0.016 nan 4.420 nan 0.000 0.269 294 P C 0.294 177.529 177.300 -0.108 0.000 1.205 294 P CA 0.215 63.277 63.100 -0.063 0.000 0.780 294 P CB 0.415 32.101 31.700 -0.023 0.000 0.858 295 S N 1.745 117.384 115.700 -0.101 0.000 2.552 295 S HA 0.020 4.490 4.470 0.001 0.000 0.289 295 S C 0.655 175.169 174.600 -0.143 0.000 1.304 295 S CA 0.006 58.126 58.200 -0.133 0.000 1.063 295 S CB -0.235 62.927 63.200 -0.064 0.000 0.848 295 S HN 0.260 nan 8.310 nan 0.000 0.499 296 R N 3.130 123.483 120.500 -0.245 0.000 2.609 296 R HA 0.331 4.672 4.340 0.001 0.000 0.326 296 R C -0.325 175.939 176.300 -0.060 0.000 1.090 296 R CA -0.020 55.974 56.100 -0.177 0.000 1.072 296 R CB 0.227 30.351 30.300 -0.293 0.000 1.330 296 R HN 0.554 nan 8.270 nan 0.000 0.572 297 M N -0.547 119.037 119.600 -0.026 0.000 2.326 297 M HA 0.248 4.728 4.480 0.001 0.000 0.306 297 M C 0.196 176.526 176.300 0.050 0.000 1.054 297 M CA -0.177 55.160 55.300 0.062 0.000 0.922 297 M CB 2.232 34.892 32.600 0.100 0.000 1.632 297 M HN -0.041 nan 8.290 nan 0.000 0.436 298 S N 0.976 116.721 115.700 0.075 0.000 2.452 298 S HA 0.044 4.514 4.470 0.001 0.000 0.225 298 S C -0.082 174.558 174.600 0.068 0.000 1.057 298 S CA 0.270 58.505 58.200 0.057 0.000 0.949 298 S CB 0.110 63.344 63.200 0.056 0.000 0.836 298 S HN 0.782 nan 8.310 nan 0.000 0.518 299 D N 0.682 121.153 120.400 0.119 0.000 2.274 299 D HA 0.363 5.003 4.640 0.001 0.000 0.239 299 D C 0.192 176.533 176.300 0.069 0.000 1.104 299 D CA -0.092 53.990 54.000 0.137 0.000 0.840 299 D CB 0.637 41.575 40.800 0.230 0.000 1.100 299 D HN 0.070 nan 8.370 nan 0.000 0.477 300 L N 2.728 123.932 121.223 -0.031 0.000 2.858 300 L HA 0.084 4.424 4.340 0.001 0.000 0.251 300 L C 2.024 178.791 176.870 -0.171 0.000 1.149 300 L CA -0.023 54.715 54.840 -0.170 0.000 0.955 300 L CB 0.085 42.143 42.059 -0.003 0.000 1.289 300 L HN 0.406 nan 8.230 nan 0.000 0.542 301 S N 0.563 116.242 115.700 -0.036 0.000 2.465 301 S HA -0.171 4.299 4.470 0.001 0.000 0.241 301 S C 1.576 176.224 174.600 0.081 0.000 1.000 301 S CA 0.749 58.974 58.200 0.041 0.000 0.964 301 S CB -0.488 62.767 63.200 0.091 0.000 0.763 301 S HN 0.732 nan 8.310 nan 0.000 0.512 302 W N 0.877 122.211 121.300 0.056 0.000 3.114 302 W HA 0.457 5.118 4.660 0.001 0.000 0.279 302 W C -0.048 176.469 176.519 -0.005 0.000 1.277 302 W CA -0.865 56.495 57.345 0.025 0.000 1.630 302 W CB -0.448 29.024 29.460 0.020 0.000 1.087 302 W HN 0.113 nan 8.180 nan 0.000 0.637 303 I N 3.392 123.609 120.570 -0.589 0.000 2.436 303 I HA 0.066 4.237 4.170 0.001 0.000 0.289 303 I C 0.282 176.172 176.117 -0.378 0.000 1.083 303 I CA 0.625 61.510 61.300 -0.691 0.000 1.372 303 I CB 0.546 37.873 38.000 -1.122 0.000 1.408 303 I HN -0.211 nan 8.210 nan 0.000 0.516 304 K N 9.685 129.976 120.400 -0.182 0.000 2.464 304 K HA 0.434 4.755 4.320 0.001 0.000 0.252 304 K C -2.479 174.128 176.600 0.012 0.000 1.000 304 K CA -1.650 54.606 56.287 -0.052 0.000 0.951 304 K CB 1.287 33.820 32.500 0.055 0.000 1.183 304 K HN 0.261 nan 8.250 nan 0.000 0.445 305 P HA 0.390 nan 4.420 nan 0.000 0.276 305 P C -0.234 177.145 177.300 0.131 0.000 1.244 305 P CA -0.098 63.022 63.100 0.033 0.000 0.801 305 P CB 1.672 33.364 31.700 -0.013 0.000 1.006 306 G N 0.370 109.301 108.800 0.219 0.000 2.335 306 G HA2 0.308 4.268 3.960 0.001 0.000 0.291 306 G HA3 0.308 4.268 3.960 0.001 0.000 0.291 306 G C -1.698 173.274 174.900 0.121 0.000 1.261 306 G CA -0.694 44.481 45.100 0.124 0.000 0.871 306 G HN 0.448 nan 8.290 nan 0.000 0.491 307 K N -1.005 119.416 120.400 0.036 0.000 2.306 307 K HA 0.780 5.101 4.320 0.001 0.000 0.236 307 K C -1.194 175.403 176.600 -0.005 0.000 1.013 307 K CA -0.873 55.390 56.287 -0.040 0.000 0.857 307 K CB 2.680 35.137 32.500 -0.071 0.000 1.214 307 K HN 0.292 nan 8.250 nan 0.000 0.449 308 V N 0.927 120.793 119.914 -0.080 0.000 2.588 308 V HA 0.328 4.448 4.120 0.001 0.000 0.304 308 V C -0.529 175.672 176.094 0.177 0.000 1.042 308 V CA -1.029 61.284 62.300 0.021 0.000 0.877 308 V CB 1.579 33.288 31.823 -0.191 0.000 0.996 308 V HN 0.903 nan 8.190 nan 0.000 0.425 309 A N 4.854 127.855 122.820 0.301 0.000 2.915 309 A HA 0.272 4.593 4.320 0.001 0.000 0.292 309 A C -0.306 177.620 177.584 0.569 0.000 1.632 309 A CA -0.286 52.045 52.037 0.490 0.000 1.337 309 A CB -0.553 18.817 19.000 0.616 0.000 1.111 309 A HN 0.782 nan 8.150 nan 0.000 0.569 310 W N 2.432 123.885 121.300 0.255 0.000 2.187 310 W HA 0.182 4.843 4.660 0.001 0.000 0.348 310 W C 0.525 177.113 176.519 0.115 0.000 1.282 310 W CA 0.488 57.931 57.345 0.164 0.000 1.271 310 W CB 0.716 30.258 29.460 0.137 0.000 1.170 310 W HN 0.791 nan 8.180 nan 0.000 0.583 311 D N 1.292 121.506 120.400 -0.310 0.000 2.615 311 D HA -0.113 4.527 4.640 0.001 0.000 0.259 311 D C 1.834 177.388 176.300 -1.244 0.000 0.999 311 D CA 0.170 53.651 54.000 -0.864 0.000 0.938 311 D CB -1.397 38.837 40.800 -0.945 0.000 1.121 311 D HN 0.499 nan 8.370 nan 0.000 0.487 312 W N 1.089 121.412 121.300 -1.628 0.000 2.333 312 W HA -0.108 4.553 4.660 0.001 0.000 0.316 312 W C 2.156 177.971 176.519 -1.174 0.000 1.215 312 W CA 1.923 58.366 57.345 -1.503 0.000 1.278 312 W CB -0.645 28.202 29.460 -1.022 0.000 1.154 312 W HN 0.100 nan 8.180 nan 0.000 0.486 313 W N 2.165 122.608 121.300 -1.430 0.000 2.304 313 W HA -0.339 4.321 4.660 0.001 0.000 0.315 313 W C 2.001 178.069 176.519 -0.752 0.000 1.233 313 W CA 2.945 59.742 57.345 -0.913 0.000 1.261 313 W CB -0.905 28.285 29.460 -0.451 0.000 1.150 313 W HN 0.186 nan 8.180 nan 0.000 0.494 314 N N -0.017 118.447 118.700 -0.395 0.000 2.434 314 N HA -0.059 4.682 4.740 0.001 0.000 0.196 314 N C 0.133 175.385 175.510 -0.431 0.000 1.183 314 N CA 1.059 53.891 53.050 -0.363 0.000 0.849 314 N CB -0.366 38.099 38.487 -0.038 0.000 0.992 314 N HN 0.161 nan 8.380 nan 0.000 0.460 315 D N -0.585 119.415 120.400 -0.667 0.000 2.751 315 D HA -0.226 4.414 4.640 0.001 0.000 0.233 315 D C -0.594 175.776 176.300 0.117 0.000 1.149 315 D CA 0.948 54.725 54.000 -0.371 0.000 0.682 315 D CB -1.201 39.477 40.800 -0.205 0.000 1.068 315 D HN 0.511 nan 8.370 nan 0.000 0.429 316 W N -2.026 119.216 121.300 -0.096 0.000 4.310 316 W HA -0.322 4.339 4.660 0.001 0.000 0.320 316 W C 0.653 177.199 176.519 0.045 0.000 1.168 316 W CA 0.691 58.055 57.345 0.031 0.000 0.757 316 W CB -2.604 26.837 29.460 -0.032 0.000 2.221 316 W HN 0.447 nan 8.180 nan 0.000 1.517 317 N N 1.422 120.202 118.700 0.135 0.000 3.210 317 N HA 0.202 4.942 4.740 0.001 0.000 0.314 317 N C 0.659 176.166 175.510 -0.005 0.000 1.291 317 N CA -0.247 52.832 53.050 0.049 0.000 1.202 317 N CB -0.268 38.204 38.487 -0.025 0.000 1.475 317 N HN 0.010 nan 8.380 nan 0.000 0.554 318 L N 0.850 122.077 121.223 0.006 0.000 2.464 318 L HA 0.242 4.583 4.340 0.001 0.000 0.264 318 L C 0.211 177.015 176.870 -0.110 0.000 1.199 318 L CA -0.275 54.514 54.840 -0.085 0.000 0.818 318 L CB 0.567 42.562 42.059 -0.107 0.000 1.102 318 L HN 0.393 nan 8.230 nan 0.000 0.473 319 D N -1.344 118.980 120.400 -0.127 0.000 2.523 319 D HA 0.569 5.210 4.640 0.001 0.000 0.236 319 D C 0.388 176.610 176.300 -0.129 0.000 1.094 319 D CA -0.174 53.754 54.000 -0.120 0.000 0.942 319 D CB 1.881 42.628 40.800 -0.089 0.000 1.447 319 D HN 0.720 nan 8.370 nan 0.000 0.479 320 G N -0.889 107.839 108.800 -0.119 0.000 2.136 320 G HA2 -0.077 3.884 3.960 0.001 0.000 0.242 320 G HA3 -0.077 3.884 3.960 0.001 0.000 0.242 320 G C 0.173 174.992 174.900 -0.134 0.000 0.989 320 G CA 0.335 45.374 45.100 -0.101 0.000 0.682 320 G HN 1.322 nan 8.290 nan 0.000 0.522 321 V N -3.903 115.872 119.914 -0.231 0.000 3.019 321 V HA 0.869 4.990 4.120 0.001 0.000 0.317 321 V C 0.519 176.417 176.094 -0.328 0.000 1.094 321 V CA -0.383 61.707 62.300 -0.351 0.000 1.000 321 V CB 2.031 33.394 31.823 -0.766 0.000 1.060 321 V HN -0.093 nan 8.190 nan 0.000 0.443 322 D N 0.766 121.018 120.400 -0.247 0.000 2.340 322 D HA 0.251 4.891 4.640 0.001 0.000 0.217 322 D C -0.042 176.257 176.300 -0.002 0.000 1.081 322 D CA 0.689 54.641 54.000 -0.079 0.000 0.842 322 D CB 0.022 40.844 40.800 0.037 0.000 0.934 322 D HN 0.628 nan 8.370 nan 0.000 0.511 323 F N -1.590 118.366 119.950 0.010 0.000 2.611 323 F HA 0.606 5.133 4.527 0.001 0.000 0.324 323 F C -0.267 175.538 175.800 0.009 0.000 1.061 323 F CA -1.687 56.319 58.000 0.011 0.000 0.954 323 F CB 0.612 39.621 39.000 0.016 0.000 1.301 323 F HN -0.422 nan 8.300 nan 0.000 0.482 324 V N 2.151 122.215 119.914 0.250 0.000 2.470 324 V HA 0.256 4.377 4.120 0.001 0.000 0.276 324 V C 0.545 176.797 176.094 0.263 0.000 1.040 324 V CA -0.217 62.170 62.300 0.144 0.000 1.008 324 V CB 0.513 32.390 31.823 0.090 0.000 0.990 324 V HN 1.018 nan 8.190 nan 0.000 0.477 325 T N 2.650 117.307 114.554 0.171 0.000 2.898 325 T HA 0.687 5.038 4.350 0.001 0.000 0.301 325 T C 0.334 175.092 174.700 0.097 0.000 1.049 325 T CA 0.290 62.529 62.100 0.232 0.000 1.095 325 T CB 1.522 70.503 68.868 0.188 0.000 0.976 325 T HN 1.452 nan 8.240 nan 0.000 0.539 326 G N -0.079 108.730 108.800 0.015 0.000 2.356 326 G HA2 0.307 4.268 3.960 0.001 0.000 0.288 326 G HA3 0.307 4.268 3.960 0.001 0.000 0.288 326 G C -0.960 173.663 174.900 -0.463 0.000 1.302 326 G CA -0.527 44.389 45.100 -0.307 0.000 0.887 326 G HN 0.971 nan 8.290 nan 0.000 0.521 327 V N 2.563 122.124 119.914 -0.588 0.000 2.266 327 V HA 0.351 4.472 4.120 0.001 0.000 0.240 327 V C 0.244 176.356 176.094 0.031 0.000 1.225 327 V CA 0.604 62.775 62.300 -0.216 0.000 1.237 327 V CB -1.375 30.358 31.823 -0.151 0.000 1.343 327 V HN 0.895 nan 8.190 nan 0.000 0.496 328 N N 1.844 120.599 118.700 0.092 0.000 2.732 328 N HA 0.360 5.101 4.740 0.001 0.000 0.259 328 N C 0.413 176.010 175.510 0.144 0.000 1.402 328 N CA -0.964 52.144 53.050 0.097 0.000 0.829 328 N CB 0.596 39.090 38.487 0.012 0.000 1.495 328 N HN -0.094 nan 8.380 nan 0.000 0.511 329 N N 0.064 118.802 118.700 0.064 0.000 2.058 329 N HA -0.056 4.684 4.740 0.001 0.000 0.191 329 N C -1.114 174.335 175.510 -0.102 0.000 1.037 329 N CA 1.758 54.826 53.050 0.030 0.000 0.848 329 N CB -1.262 37.210 38.487 -0.025 0.000 1.021 329 N HN 0.596 nan 8.380 nan 0.000 0.422 330 P HA -0.052 nan 4.420 nan 0.000 0.219 330 P C 1.091 177.937 177.300 -0.757 0.000 1.146 330 P CA 1.349 64.022 63.100 -0.712 0.000 0.808 330 P CB -0.107 30.905 31.700 -1.148 0.000 0.779 331 T N -1.055 113.281 114.554 -0.364 0.000 2.812 331 T HA -0.115 4.236 4.350 0.001 0.000 0.264 331 T C 1.721 176.553 174.700 0.219 0.000 1.042 331 T CA 1.261 63.430 62.100 0.115 0.000 1.140 331 T CB -0.976 67.995 68.868 0.172 0.000 0.870 331 T HN 0.123 nan 8.240 nan 0.000 0.445 332 Y N 1.239 121.689 120.300 0.250 0.000 2.439 332 Y HA 0.046 4.596 4.550 0.001 0.000 0.292 332 Y C 2.483 178.546 175.900 0.272 0.000 1.130 332 Y CA 0.748 59.019 58.100 0.285 0.000 1.254 332 Y CB -0.025 38.537 38.460 0.169 0.000 1.000 332 Y HN 0.092 nan 8.280 nan 0.000 0.554 333 K N 0.500 121.044 120.400 0.239 0.000 2.057 333 K HA -0.159 4.162 4.320 0.001 0.000 0.206 333 K C 2.267 179.030 176.600 0.272 0.000 1.050 333 K CA 1.075 57.453 56.287 0.151 0.000 0.935 333 K CB -0.225 32.188 32.500 -0.146 0.000 0.715 333 K HN 0.232 nan 8.250 nan 0.000 0.439 334 A N 0.255 123.234 122.820 0.264 0.000 1.902 334 A HA -0.153 4.168 4.320 0.001 0.000 0.217 334 A C 1.896 179.638 177.584 0.263 0.000 1.181 334 A CA 1.248 53.447 52.037 0.270 0.000 0.623 334 A CB -0.827 18.358 19.000 0.309 0.000 0.818 334 A HN 0.441 nan 8.150 nan 0.000 0.443 335 Y N -0.216 120.253 120.300 0.282 0.000 2.242 335 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 335 Y C 2.220 178.330 175.900 0.350 0.000 1.137 335 Y CA 1.453 59.750 58.100 0.329 0.000 1.181 335 Y CB -0.256 38.385 38.460 0.302 0.000 0.989 335 Y HN 0.216 nan 8.280 nan 0.000 0.527 336 I N -0.276 120.580 120.570 0.477 0.000 2.252 336 I HA -0.295 3.876 4.170 0.001 0.000 0.245 336 I C 1.718 177.994 176.117 0.266 0.000 1.102 336 I CA 1.342 62.856 61.300 0.357 0.000 1.385 336 I CB -0.307 37.938 38.000 0.407 0.000 1.064 336 I HN 0.204 nan 8.210 nan 0.000 0.414 337 D N 0.559 121.143 120.400 0.307 0.000 2.117 337 D HA -0.197 4.444 4.640 0.001 0.000 0.198 337 D C 1.905 178.308 176.300 0.172 0.000 0.982 337 D CA 1.210 55.346 54.000 0.225 0.000 0.828 337 D CB -0.326 40.625 40.800 0.252 0.000 0.967 337 D HN 0.261 nan 8.370 nan 0.000 0.464 338 F N 1.887 121.898 119.950 0.101 0.000 2.102 338 F HA -0.104 4.424 4.527 0.001 0.000 0.298 338 F C 2.170 178.002 175.800 0.053 0.000 1.105 338 F CA 1.502 59.540 58.000 0.064 0.000 1.239 338 F CB -0.411 38.613 39.000 0.040 0.000 0.991 338 F HN -0.068 nan 8.300 nan 0.000 0.474 339 A N -0.580 122.181 122.820 -0.099 0.000 1.858 339 A HA -0.218 4.102 4.320 0.001 0.000 0.216 339 A C 2.412 179.863 177.584 -0.221 0.000 1.190 339 A CA 2.122 54.039 52.037 -0.201 0.000 0.617 339 A CB -1.595 17.439 19.000 0.057 0.000 0.827 339 A HN 0.484 nan 8.150 nan 0.000 0.443 340 S N -0.392 115.243 115.700 -0.108 0.000 2.368 340 S HA -0.069 4.401 4.470 0.001 0.000 0.225 340 S C 2.170 176.687 174.600 -0.137 0.000 1.030 340 S CA 1.624 59.757 58.200 -0.111 0.000 0.999 340 S CB -0.538 62.619 63.200 -0.072 0.000 0.844 340 S HN 0.890 nan 8.310 nan 0.000 0.459 341 A N 1.629 124.366 122.820 -0.138 0.000 2.024 341 A HA -0.063 4.257 4.320 0.001 0.000 0.220 341 A C 1.686 179.162 177.584 -0.180 0.000 1.164 341 A CA 1.610 53.572 52.037 -0.125 0.000 0.643 341 A CB -0.424 18.530 19.000 -0.077 0.000 0.806 341 A HN 0.699 nan 8.150 nan 0.000 0.451 342 N N -1.329 117.191 118.700 -0.299 0.000 2.234 342 N HA 0.215 4.956 4.740 0.001 0.000 0.227 342 N C 0.911 176.274 175.510 -0.245 0.000 1.151 342 N CA 0.726 53.600 53.050 -0.292 0.000 0.865 342 N CB 0.738 38.957 38.487 -0.446 0.000 1.066 342 N HN 0.562 nan 8.380 nan 0.000 0.515 343 G N 1.578 110.255 108.800 -0.206 0.000 2.168 343 G HA2 -0.298 3.663 3.960 0.001 0.000 0.257 343 G HA3 -0.298 3.663 3.960 0.001 0.000 0.257 343 G C 0.186 174.969 174.900 -0.196 0.000 0.997 343 G CA -0.022 44.971 45.100 -0.178 0.000 0.708 343 G HN 0.375 nan 8.290 nan 0.000 0.520 344 I N 0.399 120.835 120.570 -0.222 0.000 2.556 344 I HA 0.181 4.351 4.170 0.001 0.000 0.284 344 I C 1.572 177.585 176.117 -0.173 0.000 1.114 344 I CA -0.266 60.919 61.300 -0.192 0.000 1.418 344 I CB 0.902 38.786 38.000 -0.194 0.000 1.394 344 I HN 0.125 nan 8.210 nan 0.000 0.552 345 E N 4.364 124.441 120.200 -0.205 0.000 2.152 345 E HA -0.060 4.291 4.350 0.001 0.000 0.192 345 E C -0.887 175.417 176.600 -0.494 0.000 0.983 345 E CA 1.320 57.480 56.400 -0.400 0.000 0.818 345 E CB 0.048 29.409 29.700 -0.564 0.000 0.758 345 E HN 0.456 nan 8.360 nan 0.000 0.467 346 Y N -1.815 118.502 120.300 0.028 0.000 2.634 346 Y HA 0.595 5.146 4.550 0.001 0.000 0.340 346 Y C -0.642 175.323 175.900 0.107 0.000 1.058 346 Y CA -1.387 56.759 58.100 0.076 0.000 1.081 346 Y CB 1.744 40.295 38.460 0.151 0.000 1.295 346 Y HN -0.403 nan 8.280 nan 0.000 0.487 347 V N 2.955 123.073 119.914 0.340 0.000 2.668 347 V HA 0.409 4.529 4.120 0.001 0.000 0.304 347 V C -0.698 175.541 176.094 0.242 0.000 1.071 347 V CA -0.819 61.663 62.300 0.304 0.000 0.894 347 V CB 1.835 33.847 31.823 0.315 0.000 1.008 347 V HN 0.555 nan 8.190 nan 0.000 0.425 348 I N 4.937 125.671 120.570 0.274 0.000 2.428 348 I HA 0.380 4.550 4.170 0.001 0.000 0.296 348 I C -0.741 175.518 176.117 0.236 0.000 0.985 348 I CA -0.724 60.715 61.300 0.232 0.000 1.260 348 I CB 1.775 39.966 38.000 0.318 0.000 1.389 348 I HN 0.366 nan 8.210 nan 0.000 0.484 349 L N 6.267 127.530 121.223 0.066 0.000 2.314 349 L HA 0.264 4.605 4.340 0.001 0.000 0.275 349 L C 0.373 177.472 176.870 0.381 0.000 1.068 349 L CA 0.248 55.097 54.840 0.015 0.000 0.894 349 L CB 0.068 41.846 42.059 -0.468 0.000 1.275 349 L HN 0.528 nan 8.230 nan 0.000 0.432 350 D N 1.439 122.133 120.400 0.489 0.000 2.274 350 D HA -0.042 4.599 4.640 0.001 0.000 0.256 350 D C 0.043 176.502 176.300 0.265 0.000 1.274 350 D CA -0.308 53.909 54.000 0.362 0.000 0.998 350 D CB 0.729 41.667 40.800 0.231 0.000 1.139 350 D HN 0.458 nan 8.370 nan 0.000 0.540 351 E N -1.280 118.595 120.200 -0.543 0.000 2.558 351 E HA 0.141 4.492 4.350 0.001 0.000 0.255 351 E C 0.285 176.916 176.600 0.052 0.000 0.968 351 E CA 0.617 56.647 56.400 -0.617 0.000 0.939 351 E CB 0.045 28.978 29.700 -1.279 0.000 0.921 351 E HN 0.598 nan 8.360 nan 0.000 0.477 352 G N 4.773 113.613 108.800 0.066 0.000 3.033 352 G HA2 -0.188 3.773 3.960 0.001 0.000 0.208 352 G HA3 -0.188 3.773 3.960 0.001 0.000 0.208 352 G C 0.603 175.579 174.900 0.126 0.000 1.006 352 G CA 0.109 45.268 45.100 0.098 0.000 0.808 352 G HN 0.695 nan 8.290 nan 0.000 0.499 353 W N 1.463 122.853 121.300 0.150 0.000 2.584 353 W HA 0.634 5.295 4.660 0.001 0.000 0.264 353 W C 0.588 177.175 176.519 0.114 0.000 1.264 353 W CA 0.774 58.187 57.345 0.112 0.000 1.306 353 W CB -0.671 28.832 29.460 0.072 0.000 1.110 353 W HN 0.707 nan 8.180 nan 0.000 0.606 354 A N 2.082 124.523 122.820 -0.631 0.000 2.301 354 A HA 0.477 4.798 4.320 0.001 0.000 0.312 354 A C -0.127 177.324 177.584 -0.222 0.000 1.182 354 A CA -0.647 51.054 52.037 -0.558 0.000 0.826 354 A CB 1.204 19.635 19.000 -0.949 0.000 1.134 354 A HN -0.009 nan 8.150 nan 0.000 0.501 355 V N 3.220 123.069 119.914 -0.107 0.000 2.583 355 V HA -0.116 4.004 4.120 0.001 0.000 0.302 355 V C 1.000 177.055 176.094 -0.066 0.000 1.033 355 V CA 0.298 62.563 62.300 -0.057 0.000 1.194 355 V CB -0.797 31.010 31.823 -0.026 0.000 0.879 355 V HN 0.966 nan 8.190 nan 0.000 0.482 356 N N 4.273 122.940 118.700 -0.056 0.000 2.441 356 N HA 0.147 4.888 4.740 0.001 0.000 0.251 356 N C 0.794 176.276 175.510 -0.046 0.000 1.242 356 N CA 0.291 53.309 53.050 -0.054 0.000 0.898 356 N CB 0.210 38.663 38.487 -0.057 0.000 1.100 356 N HN 0.669 nan 8.380 nan 0.000 0.443 357 L N -0.400 120.796 121.223 -0.046 0.000 5.198 357 L HA -0.356 3.985 4.340 0.001 0.000 0.414 357 L C 1.217 178.075 176.870 -0.020 0.000 0.922 357 L CA 0.900 55.717 54.840 -0.038 0.000 1.585 357 L CB -1.167 40.867 42.059 -0.043 0.000 1.671 357 L HN 0.603 nan 8.230 nan 0.000 0.621 358 Q N 0.181 119.970 119.800 -0.020 0.000 2.245 358 Q HA 0.182 4.523 4.340 0.001 0.000 0.201 358 Q C 1.662 177.664 176.000 0.004 0.000 0.955 358 Q CA 1.151 56.948 55.803 -0.011 0.000 0.870 358 Q CB 0.077 28.803 28.738 -0.020 0.000 0.945 358 Q HN 0.663 nan 8.270 nan 0.000 0.461 359 A N 2.064 124.888 122.820 0.007 0.000 2.783 359 A HA -0.190 4.130 4.320 0.001 0.000 0.292 359 A C -0.193 177.384 177.584 -0.011 0.000 1.495 359 A CA 1.089 53.144 52.037 0.030 0.000 0.787 359 A CB -1.793 17.281 19.000 0.123 0.000 1.017 359 A HN 0.280 nan 8.150 nan 0.000 0.516 360 D N -0.655 119.728 120.400 -0.028 0.000 2.471 360 D HA 0.504 5.144 4.640 0.001 0.000 0.245 360 D C 0.678 176.972 176.300 -0.011 0.000 1.116 360 D CA -0.644 53.341 54.000 -0.025 0.000 0.853 360 D CB 0.805 41.595 40.800 -0.017 0.000 1.123 360 D HN 0.016 nan 8.370 nan 0.000 0.540 361 L N 3.343 124.596 121.223 0.051 0.000 2.549 361 L HA 0.039 4.380 4.340 0.001 0.000 0.229 361 L C 1.941 179.040 176.870 0.383 0.000 1.158 361 L CA 0.867 55.826 54.840 0.198 0.000 0.842 361 L CB -0.330 41.958 42.059 0.381 0.000 0.952 361 L HN 0.550 nan 8.230 nan 0.000 0.452 362 M N -1.531 118.194 119.600 0.209 0.000 2.509 362 M HA 0.124 4.604 4.480 0.001 0.000 0.250 362 M C 0.391 176.794 176.300 0.172 0.000 1.132 362 M CA 0.462 55.876 55.300 0.190 0.000 1.080 362 M CB -0.321 32.283 32.600 0.007 0.000 1.408 362 M HN 0.203 nan 8.290 nan 0.000 0.484 363 Q N 2.083 121.954 119.800 0.118 0.000 2.503 363 Q HA 0.333 4.674 4.340 0.001 0.000 0.227 363 Q C -0.208 175.857 176.000 0.108 0.000 1.109 363 Q CA -0.407 55.448 55.803 0.086 0.000 0.922 363 Q CB 1.062 29.816 28.738 0.026 0.000 1.249 363 Q HN 0.227 nan 8.270 nan 0.000 0.530 364 V N 0.243 120.280 119.914 0.206 0.000 2.686 364 V HA 0.469 4.590 4.120 0.001 0.000 0.295 364 V C 0.560 176.751 176.094 0.162 0.000 1.057 364 V CA -0.906 61.557 62.300 0.271 0.000 1.012 364 V CB 1.006 33.060 31.823 0.385 0.000 1.006 364 V HN 0.424 nan 8.190 nan 0.000 0.477 365 V N 2.730 122.735 119.914 0.151 0.000 3.096 365 V HA 0.292 4.413 4.120 0.001 0.000 0.306 365 V C 1.521 177.672 176.094 0.095 0.000 1.088 365 V CA 0.089 62.446 62.300 0.095 0.000 1.129 365 V CB -0.220 31.652 31.823 0.081 0.000 1.014 365 V HN 1.000 nan 8.190 nan 0.000 0.486 366 K N 1.378 121.815 120.400 0.062 0.000 2.074 366 K HA -0.190 4.131 4.320 0.001 0.000 0.209 366 K C 1.705 178.338 176.600 0.056 0.000 1.048 366 K CA 2.230 58.548 56.287 0.053 0.000 0.926 366 K CB -0.241 32.279 32.500 0.033 0.000 0.713 366 K HN 0.837 nan 8.250 nan 0.000 0.444 367 E N 0.256 120.489 120.200 0.056 0.000 2.418 367 E HA -0.004 4.347 4.350 0.001 0.000 0.197 367 E C 0.142 176.790 176.600 0.080 0.000 1.026 367 E CA 0.586 57.018 56.400 0.054 0.000 0.862 367 E CB 0.120 29.844 29.700 0.041 0.000 0.799 367 E HN 0.173 nan 8.360 nan 0.000 0.518 368 I N 0.996 121.631 120.570 0.108 0.000 2.404 368 I HA 0.210 4.381 4.170 0.001 0.000 0.293 368 I C -0.531 175.649 176.117 0.104 0.000 0.992 368 I CA -0.832 60.541 61.300 0.123 0.000 1.149 368 I CB 1.671 39.778 38.000 0.178 0.000 1.315 368 I HN -0.165 nan 8.210 nan 0.000 0.446 369 D N 6.132 126.576 120.400 0.074 0.000 2.434 369 D HA 0.224 4.864 4.640 0.001 0.000 0.275 369 D C 0.953 177.280 176.300 0.044 0.000 1.172 369 D CA -0.502 53.536 54.000 0.063 0.000 0.916 369 D CB 0.765 41.591 40.800 0.044 0.000 1.041 369 D HN 0.185 nan 8.370 nan 0.000 0.501 370 L N 2.587 123.840 121.223 0.049 0.000 2.010 370 L HA -0.211 4.130 4.340 0.001 0.000 0.219 370 L C 2.376 179.249 176.870 0.006 0.000 1.077 370 L CA 1.602 56.438 54.840 -0.006 0.000 0.773 370 L CB -0.533 41.547 42.059 0.034 0.000 0.892 370 L HN 0.377 nan 8.230 nan 0.000 0.436 371 K N -0.311 120.111 120.400 0.037 0.000 2.044 371 K HA -0.256 4.065 4.320 0.001 0.000 0.210 371 K C 2.112 178.733 176.600 0.034 0.000 1.049 371 K CA 1.978 58.282 56.287 0.028 0.000 0.927 371 K CB -0.231 32.289 32.500 0.034 0.000 0.713 371 K HN 0.522 nan 8.250 nan 0.000 0.443 372 E N 0.352 120.577 120.200 0.041 0.000 2.077 372 E HA -0.161 4.190 4.350 0.001 0.000 0.193 372 E C 2.277 178.929 176.600 0.085 0.000 0.989 372 E CA 0.817 57.250 56.400 0.055 0.000 0.800 372 E CB -0.008 29.713 29.700 0.034 0.000 0.746 372 E HN 0.267 nan 8.360 nan 0.000 0.452 373 L N 0.380 121.640 121.223 0.060 0.000 2.027 373 L HA -0.166 4.175 4.340 0.001 0.000 0.206 373 L C 2.631 179.561 176.870 0.099 0.000 1.074 373 L CA 0.775 55.669 54.840 0.090 0.000 0.745 373 L CB -0.406 41.663 42.059 0.016 0.000 0.898 373 L HN 0.094 nan 8.230 nan 0.000 0.433 374 V N -0.123 119.810 119.914 0.031 0.000 2.332 374 V HA -0.299 3.822 4.120 0.001 0.000 0.248 374 V C 2.094 178.210 176.094 0.037 0.000 1.055 374 V CA 1.929 64.237 62.300 0.013 0.000 1.038 374 V CB -0.509 31.301 31.823 -0.021 0.000 0.651 374 V HN 0.451 nan 8.190 nan 0.000 0.450 375 D N -1.396 119.037 120.400 0.055 0.000 2.149 375 D HA -0.155 4.486 4.640 0.001 0.000 0.201 375 D C 1.926 178.272 176.300 0.077 0.000 0.972 375 D CA 1.219 55.250 54.000 0.052 0.000 0.835 375 D CB -0.184 40.648 40.800 0.053 0.000 0.966 375 D HN 0.564 nan 8.370 nan 0.000 0.476 376 Y N 1.940 122.249 120.300 0.014 0.000 2.145 376 Y HA -0.148 4.403 4.550 0.001 0.000 0.286 376 Y C 2.302 178.217 175.900 0.026 0.000 1.145 376 Y CA 1.627 59.742 58.100 0.024 0.000 1.148 376 Y CB -0.426 38.056 38.460 0.036 0.000 0.981 376 Y HN -0.063 nan 8.280 nan 0.000 0.507 377 A N 0.652 123.505 122.820 0.055 0.000 1.908 377 A HA -0.178 4.142 4.320 0.001 0.000 0.218 377 A C 2.453 179.983 177.584 -0.091 0.000 1.181 377 A CA 2.182 54.208 52.037 -0.019 0.000 0.627 377 A CB -1.589 17.453 19.000 0.069 0.000 0.818 377 A HN 0.629 nan 8.150 nan 0.000 0.445 378 A N 0.369 123.154 122.820 -0.057 0.000 1.908 378 A HA -0.135 4.186 4.320 0.001 0.000 0.218 378 A C 2.460 179.986 177.584 -0.097 0.000 1.181 378 A CA 2.470 54.471 52.037 -0.061 0.000 0.627 378 A CB -1.072 17.909 19.000 -0.032 0.000 0.818 378 A HN 1.137 nan 8.150 nan 0.000 0.445 379 S N -1.306 114.315 115.700 -0.131 0.000 2.507 379 S HA -0.008 4.463 4.470 0.001 0.000 0.235 379 S C 1.263 175.746 174.600 -0.194 0.000 0.988 379 S CA 1.095 59.207 58.200 -0.147 0.000 0.944 379 S CB -0.022 63.091 63.200 -0.145 0.000 0.762 379 S HN 0.402 nan 8.310 nan 0.000 0.526 380 K N 1.512 121.767 120.400 -0.242 0.000 2.373 380 K HA 0.255 4.575 4.320 0.001 0.000 0.202 380 K C 0.187 176.700 176.600 -0.144 0.000 1.025 380 K CA -0.091 56.064 56.287 -0.219 0.000 1.115 380 K CB -0.609 31.709 32.500 -0.303 0.000 0.858 380 K HN 0.619 nan 8.250 nan 0.000 0.525 381 N N 0.726 119.351 118.700 -0.125 0.000 2.754 381 N HA -0.168 4.573 4.740 0.001 0.000 0.248 381 N C -1.338 174.097 175.510 -0.125 0.000 1.093 381 N CA -0.001 52.981 53.050 -0.113 0.000 0.699 381 N CB -0.515 37.907 38.487 -0.110 0.000 1.016 381 N HN -0.154 nan 8.380 nan 0.000 0.552 382 V N 0.505 120.357 119.914 -0.103 0.000 2.540 382 V HA 0.688 4.808 4.120 0.001 0.000 0.302 382 V C 0.977 177.047 176.094 -0.041 0.000 1.035 382 V CA -0.206 62.044 62.300 -0.082 0.000 0.873 382 V CB 1.746 33.561 31.823 -0.014 0.000 0.992 382 V HN 0.258 nan 8.190 nan 0.000 0.428 383 G N 4.178 112.950 108.800 -0.046 0.000 2.425 383 G HA2 0.656 4.616 3.960 0.001 0.000 0.302 383 G HA3 0.656 4.616 3.960 0.001 0.000 0.302 383 G C -0.772 174.277 174.900 0.250 0.000 1.159 383 G CA -0.499 44.672 45.100 0.120 0.000 0.865 383 G HN 0.438 nan 8.290 nan 0.000 0.515 384 I N 1.618 122.268 120.570 0.132 0.000 2.412 384 I HA 0.394 4.564 4.170 0.001 0.000 0.296 384 I C -0.507 175.555 176.117 -0.092 0.000 0.987 384 I CA -0.712 60.601 61.300 0.021 0.000 1.180 384 I CB 1.630 39.576 38.000 -0.091 0.000 1.340 384 I HN 0.124 nan 8.210 nan 0.000 0.455 385 I N 6.545 127.039 120.570 -0.127 0.000 2.509 385 I HA 0.397 4.568 4.170 0.001 0.000 0.293 385 I C -0.443 175.491 176.117 -0.306 0.000 1.020 385 I CA -0.854 60.291 61.300 -0.258 0.000 1.088 385 I CB 1.912 39.834 38.000 -0.131 0.000 1.267 385 I HN 0.203 nan 8.210 nan 0.000 0.430 386 L N 5.174 126.088 121.223 -0.515 0.000 2.307 386 L HA 0.397 4.738 4.340 0.001 0.000 0.284 386 L C -0.493 176.431 176.870 0.090 0.000 1.023 386 L CA -0.241 54.362 54.840 -0.396 0.000 0.810 386 L CB 1.339 42.917 42.059 -0.802 0.000 1.231 386 L HN 0.587 nan 8.230 nan 0.000 0.423 387 W N 4.258 125.706 121.300 0.247 0.000 2.316 387 W HA 0.646 5.307 4.660 0.001 0.000 0.321 387 W C -0.537 176.263 176.519 0.468 0.000 1.203 387 W CA -0.277 57.254 57.345 0.309 0.000 1.214 387 W CB 1.103 30.750 29.460 0.313 0.000 1.169 387 W HN 0.642 nan 8.180 nan 0.000 0.561 388 A N 4.519 127.091 122.820 -0.414 0.000 2.459 388 A HA 0.610 4.931 4.320 0.001 0.000 0.296 388 A C -0.302 176.740 177.584 -0.903 0.000 1.039 388 A CA -0.447 51.367 52.037 -0.371 0.000 0.698 388 A CB 0.567 19.611 19.000 0.074 0.000 1.261 388 A HN 1.026 nan 8.150 nan 0.000 0.405 389 G N 0.181 108.586 108.800 -0.658 0.000 2.483 389 G HA2 0.352 4.312 3.960 0.001 0.000 0.248 389 G HA3 0.352 4.312 3.960 0.001 0.000 0.248 389 G C 0.592 175.460 174.900 -0.053 0.000 1.248 389 G CA 0.339 45.259 45.100 -0.301 0.000 0.838 389 G HN 1.072 nan 8.290 nan 0.000 0.566 390 Y N 1.391 121.678 120.300 -0.021 0.000 1.977 390 Y HA -0.418 4.133 4.550 0.001 0.000 0.264 390 Y C 2.685 178.585 175.900 -0.000 0.000 1.167 390 Y CA 2.979 61.063 58.100 -0.027 0.000 1.102 390 Y CB -0.528 37.910 38.460 -0.037 0.000 0.948 390 Y HN 0.739 nan 8.280 nan 0.000 0.489 391 H N 0.073 118.896 119.070 -0.412 0.000 2.319 391 H HA -0.204 4.353 4.556 0.001 0.000 0.297 391 H C 2.117 177.269 175.328 -0.294 0.000 1.097 391 H CA 2.079 57.846 56.048 -0.468 0.000 1.285 391 H CB -0.721 28.965 29.762 -0.126 0.000 1.368 391 H HN 0.493 nan 8.280 nan 0.000 0.495 392 A N -0.734 121.969 122.820 -0.195 0.000 2.070 392 A HA -0.115 4.206 4.320 0.001 0.000 0.220 392 A C 2.231 179.723 177.584 -0.153 0.000 1.159 392 A CA 1.408 53.336 52.037 -0.181 0.000 0.656 392 A CB -0.967 18.010 19.000 -0.040 0.000 0.800 392 A HN 0.564 nan 8.150 nan 0.000 0.453 393 F N 1.073 120.847 119.950 -0.294 0.000 2.188 393 F HA 0.026 4.554 4.527 0.001 0.000 0.289 393 F C 2.163 177.816 175.800 -0.245 0.000 1.082 393 F CA 1.636 59.489 58.000 -0.245 0.000 1.282 393 F CB -0.170 38.720 39.000 -0.183 0.000 1.060 393 F HN 0.342 nan 8.300 nan 0.000 0.493 394 E N 1.074 121.098 120.200 -0.293 0.000 2.482 394 E HA -0.140 4.211 4.350 0.001 0.000 0.196 394 E C 1.868 178.264 176.600 -0.340 0.000 1.047 394 E CA 0.855 57.090 56.400 -0.275 0.000 0.869 394 E CB -0.807 28.759 29.700 -0.223 0.000 0.836 394 E HN 0.583 nan 8.360 nan 0.000 0.520 395 R N -0.017 120.211 120.500 -0.453 0.000 2.189 395 R HA -0.012 4.329 4.340 0.001 0.000 0.218 395 R C 0.277 176.409 176.300 -0.280 0.000 1.074 395 R CA 1.496 57.355 56.100 -0.400 0.000 0.991 395 R CB -0.075 29.855 30.300 -0.617 0.000 0.883 395 R HN 0.152 nan 8.270 nan 0.000 0.457 396 D N -0.707 119.508 120.400 -0.308 0.000 3.118 396 D HA 0.113 4.753 4.640 0.001 0.000 0.352 396 D C 0.827 176.921 176.300 -0.344 0.000 1.498 396 D CA -0.267 53.579 54.000 -0.258 0.000 0.759 396 D CB 0.183 40.858 40.800 -0.208 0.000 1.251 396 D HN 0.075 nan 8.370 nan 0.000 0.504 397 M N -0.047 119.289 119.600 -0.439 0.000 2.110 397 M HA -0.246 4.235 4.480 0.001 0.000 0.257 397 M C 1.882 177.901 176.300 -0.467 0.000 1.071 397 M CA 2.119 57.029 55.300 -0.649 0.000 1.096 397 M CB 0.086 32.368 32.600 -0.530 0.000 1.300 397 M HN 0.201 nan 8.290 nan 0.000 0.411 398 E N 0.184 120.219 120.200 -0.274 0.000 2.070 398 E HA -0.279 4.072 4.350 0.001 0.000 0.197 398 E C 1.658 178.093 176.600 -0.274 0.000 1.004 398 E CA 2.254 58.539 56.400 -0.191 0.000 0.805 398 E CB -0.403 29.253 29.700 -0.074 0.000 0.744 398 E HN 0.679 nan 8.360 nan 0.000 0.451 399 N N -0.711 117.854 118.700 -0.226 0.000 2.120 399 N HA -0.162 4.579 4.740 0.001 0.000 0.188 399 N C 1.829 177.217 175.510 -0.203 0.000 1.024 399 N CA 1.497 54.426 53.050 -0.202 0.000 0.852 399 N CB 0.080 38.468 38.487 -0.165 0.000 1.003 399 N HN 0.103 nan 8.380 nan 0.000 0.424 400 V N 1.065 120.852 119.914 -0.212 0.000 2.287 400 V HA -0.302 3.819 4.120 0.001 0.000 0.248 400 V C 2.617 178.703 176.094 -0.013 0.000 1.053 400 V CA 1.488 63.747 62.300 -0.068 0.000 1.027 400 V CB -0.685 31.026 31.823 -0.186 0.000 0.646 400 V HN 0.550 nan 8.190 nan 0.000 0.447 401 C N -0.498 118.641 119.300 -0.269 0.000 2.429 401 C HA -0.137 4.324 4.460 0.001 0.000 0.277 401 C C 2.935 177.652 174.990 -0.456 0.000 1.262 401 C CA 1.409 60.288 59.018 -0.232 0.000 1.733 401 C CB -1.129 26.431 27.740 -0.299 0.000 2.010 401 C HN 0.572 nan 8.230 nan 0.000 0.483 402 R N 0.047 120.040 120.500 -0.844 0.000 2.066 402 R HA -0.163 4.177 4.340 0.001 0.000 0.232 402 R C 2.266 178.427 176.300 -0.232 0.000 1.131 402 R CA 2.026 57.671 56.100 -0.759 0.000 0.955 402 R CB -0.625 29.330 30.300 -0.575 0.000 0.851 402 R HN 0.694 nan 8.270 nan 0.000 0.432 403 H N -0.459 118.449 119.070 -0.270 0.000 2.290 403 H HA -0.193 4.364 4.556 0.001 0.000 0.298 403 H C 1.468 176.639 175.328 -0.262 0.000 1.087 403 H CA 2.501 58.382 56.048 -0.279 0.000 1.291 403 H CB -0.454 29.069 29.762 -0.399 0.000 1.369 403 H HN 0.278 nan 8.280 nan 0.000 0.492 404 Y N -0.217 120.037 120.300 -0.077 0.000 2.373 404 Y HA 0.073 4.624 4.550 0.001 0.000 0.293 404 Y C 2.710 178.551 175.900 -0.098 0.000 1.129 404 Y CA 0.858 58.893 58.100 -0.109 0.000 1.226 404 Y CB -0.661 37.882 38.460 0.138 0.000 1.000 404 Y HN 0.408 nan 8.280 nan 0.000 0.549 405 A N 0.689 123.557 122.820 0.080 0.000 1.898 405 A HA -0.213 4.107 4.320 0.001 0.000 0.216 405 A C 2.113 179.692 177.584 -0.008 0.000 1.181 405 A CA 1.774 53.840 52.037 0.048 0.000 0.620 405 A CB -0.674 18.378 19.000 0.086 0.000 0.819 405 A HN 0.613 nan 8.150 nan 0.000 0.442 406 E N 0.056 120.228 120.200 -0.047 0.000 2.347 406 E HA -0.157 4.193 4.350 0.001 0.000 0.196 406 E C 1.794 178.342 176.600 -0.086 0.000 1.008 406 E CA 1.258 57.624 56.400 -0.056 0.000 0.852 406 E CB -0.505 29.164 29.700 -0.052 0.000 0.783 406 E HN 0.819 nan 8.360 nan 0.000 0.505 407 M N -1.326 118.194 119.600 -0.135 0.000 2.495 407 M HA 0.400 4.881 4.480 0.001 0.000 0.237 407 M C 1.307 177.575 176.300 -0.055 0.000 1.131 407 M CA 1.155 56.385 55.300 -0.117 0.000 1.032 407 M CB 0.938 33.425 32.600 -0.190 0.000 1.513 407 M HN 0.132 nan 8.290 nan 0.000 0.488 408 G N 0.428 109.204 108.800 -0.040 0.000 2.229 408 G HA2 -0.150 3.810 3.960 0.001 0.000 0.189 408 G HA3 -0.150 3.810 3.960 0.001 0.000 0.189 408 G C -0.090 174.792 174.900 -0.030 0.000 1.000 408 G CA -0.129 44.955 45.100 -0.026 0.000 0.663 408 G HN 0.337 nan 8.290 nan 0.000 0.493 409 V N 2.110 121.996 119.914 -0.045 0.000 2.788 409 V HA 0.188 4.309 4.120 0.001 0.000 0.307 409 V C 1.541 177.580 176.094 -0.092 0.000 1.069 409 V CA 0.757 62.986 62.300 -0.119 0.000 1.173 409 V CB 1.347 33.039 31.823 -0.218 0.000 0.925 409 V HN 0.249 nan 8.190 nan 0.000 0.492 410 K N 2.553 122.893 120.400 -0.100 0.000 2.356 410 K HA 0.314 4.635 4.320 0.001 0.000 0.195 410 K C 0.633 177.162 176.600 -0.119 0.000 1.037 410 K CA 0.854 57.123 56.287 -0.031 0.000 1.014 410 K CB 0.759 33.335 32.500 0.128 0.000 0.815 410 K HN 0.914 nan 8.250 nan 0.000 0.507 411 G N -0.007 108.617 108.800 -0.293 0.000 2.342 411 G HA2 0.456 4.417 3.960 0.001 0.000 0.297 411 G HA3 0.456 4.417 3.960 0.001 0.000 0.297 411 G C -1.817 172.743 174.900 -0.567 0.000 1.313 411 G CA -0.876 44.043 45.100 -0.302 0.000 0.830 411 G HN -0.060 nan 8.290 nan 0.000 0.506 412 F N -0.111 119.678 119.950 -0.267 0.000 2.577 412 F HA 0.713 5.240 4.527 0.001 0.000 0.318 412 F C 0.294 175.877 175.800 -0.362 0.000 1.065 412 F CA -0.804 57.024 58.000 -0.287 0.000 0.929 412 F CB 2.936 41.730 39.000 -0.345 0.000 1.237 412 F HN 0.369 nan 8.300 nan 0.000 0.468 413 K N 2.591 122.924 120.400 -0.111 0.000 2.473 413 K HA 0.594 4.915 4.320 0.001 0.000 0.246 413 K C -1.834 174.557 176.600 -0.350 0.000 1.011 413 K CA -0.313 55.858 56.287 -0.194 0.000 0.984 413 K CB 0.987 33.456 32.500 -0.053 0.000 1.250 413 K HN 0.510 nan 8.250 nan 0.000 0.454 414 V N 3.758 123.442 119.914 -0.383 0.000 2.406 414 V HA 0.221 4.341 4.120 0.001 0.000 0.272 414 V C -0.010 175.925 176.094 -0.266 0.000 1.043 414 V CA -0.509 61.534 62.300 -0.427 0.000 0.915 414 V CB 1.183 32.755 31.823 -0.419 0.000 0.988 414 V HN 0.753 nan 8.190 nan 0.000 0.466 415 D N 2.450 122.646 120.400 -0.341 0.000 2.450 415 D HA 0.543 5.184 4.640 0.001 0.000 0.238 415 D C 0.001 176.404 176.300 0.171 0.000 1.020 415 D CA -0.736 53.212 54.000 -0.086 0.000 1.010 415 D CB 1.511 42.342 40.800 0.052 0.000 1.342 415 D HN 0.374 nan 8.370 nan 0.000 0.530 416 F N -0.033 119.965 119.950 0.079 0.000 3.043 416 F HA -0.254 4.274 4.527 0.001 0.000 0.290 416 F C 1.414 177.265 175.800 0.086 0.000 0.844 416 F CA 0.061 58.118 58.000 0.096 0.000 1.184 416 F CB -1.559 37.531 39.000 0.150 0.000 1.246 416 F HN 0.284 nan 8.300 nan 0.000 0.536 417 M N -0.170 119.498 119.600 0.114 0.000 2.099 417 M HA -0.087 4.394 4.480 0.001 0.000 0.262 417 M C 1.285 177.624 176.300 0.065 0.000 1.067 417 M CA 1.930 57.187 55.300 -0.072 0.000 1.124 417 M CB -0.418 32.141 32.600 -0.069 0.000 1.353 417 M HN 0.177 nan 8.290 nan 0.000 0.410 418 D N 0.575 121.058 120.400 0.139 0.000 2.882 418 D HA -0.195 4.446 4.640 0.001 0.000 0.229 418 D C -0.335 176.141 176.300 0.294 0.000 1.167 418 D CA 0.837 54.922 54.000 0.141 0.000 0.759 418 D CB -0.719 40.036 40.800 -0.074 0.000 1.088 418 D HN 0.413 nan 8.370 nan 0.000 0.425 419 R N -0.356 120.366 120.500 0.370 0.000 2.740 419 R HA 0.461 4.801 4.340 0.001 0.000 0.273 419 R C -0.501 176.052 176.300 0.422 0.000 0.998 419 R CA -0.729 55.598 56.100 0.378 0.000 0.900 419 R CB 1.469 31.877 30.300 0.179 0.000 1.223 419 R HN -0.036 nan 8.270 nan 0.000 0.466 420 D N -0.138 120.500 120.400 0.397 0.000 2.785 420 D HA 0.046 4.686 4.640 0.001 0.000 0.324 420 D C -0.914 175.439 176.300 0.088 0.000 1.523 420 D CA -0.441 53.688 54.000 0.215 0.000 0.789 420 D CB -0.117 40.716 40.800 0.054 0.000 1.171 420 D HN 0.523 nan 8.370 nan 0.000 0.447 421 D N -0.874 119.559 120.400 0.055 0.000 2.354 421 D HA 0.045 4.686 4.640 0.001 0.000 0.247 421 D C 1.499 177.768 176.300 -0.052 0.000 1.138 421 D CA -0.600 53.364 54.000 -0.060 0.000 0.958 421 D CB 1.356 42.071 40.800 -0.142 0.000 1.144 421 D HN -0.064 nan 8.370 nan 0.000 0.458 422 Q N -0.281 119.469 119.800 -0.085 0.000 2.133 422 Q HA -0.374 3.967 4.340 0.001 0.000 0.208 422 Q C 1.789 177.809 176.000 0.033 0.000 0.991 422 Q CA 2.040 57.846 55.803 0.004 0.000 0.867 422 Q CB -0.060 28.742 28.738 0.107 0.000 0.911 422 Q HN 0.748 nan 8.270 nan 0.000 0.417 423 E N -0.628 119.512 120.200 -0.101 0.000 2.110 423 E HA -0.228 4.123 4.350 0.001 0.000 0.193 423 E C 1.880 178.545 176.600 0.109 0.000 0.988 423 E CA 1.298 57.686 56.400 -0.021 0.000 0.804 423 E CB -0.028 29.572 29.700 -0.167 0.000 0.745 423 E HN 0.359 nan 8.360 nan 0.000 0.458 424 M N 0.368 120.018 119.600 0.085 0.000 2.193 424 M HA -0.080 4.400 4.480 0.001 0.000 0.265 424 M C 2.225 178.711 176.300 0.310 0.000 1.071 424 M CA 1.965 57.369 55.300 0.173 0.000 1.140 424 M CB -0.302 32.345 32.600 0.078 0.000 1.369 424 M HN 0.194 nan 8.290 nan 0.000 0.423 425 T N -1.892 112.814 114.554 0.254 0.000 2.915 425 T HA 0.030 4.380 4.350 0.001 0.000 0.269 425 T C 1.854 176.756 174.700 0.337 0.000 1.071 425 T CA 1.145 63.436 62.100 0.318 0.000 1.132 425 T CB -0.927 68.075 68.868 0.223 0.000 0.878 425 T HN 0.344 nan 8.240 nan 0.000 0.479 426 A N 0.991 123.971 122.820 0.266 0.000 1.929 426 A HA 0.172 4.493 4.320 0.001 0.000 0.216 426 A C 1.965 179.724 177.584 0.291 0.000 1.176 426 A CA 1.094 53.275 52.037 0.240 0.000 0.628 426 A CB -1.028 18.089 19.000 0.194 0.000 0.816 426 A HN 0.515 nan 8.150 nan 0.000 0.444 427 F N 1.932 122.001 119.950 0.198 0.000 2.095 427 F HA -0.227 4.300 4.527 0.001 0.000 0.298 427 F C 1.948 177.863 175.800 0.192 0.000 1.104 427 F CA 2.004 60.127 58.000 0.205 0.000 1.232 427 F CB -0.386 38.771 39.000 0.262 0.000 0.987 427 F HN 0.212 nan 8.300 nan 0.000 0.475 428 N N -0.052 118.662 118.700 0.023 0.000 2.061 428 N HA -0.267 4.474 4.740 0.001 0.000 0.193 428 N C 1.853 177.223 175.510 -0.233 0.000 1.030 428 N CA 2.168 55.128 53.050 -0.149 0.000 0.856 428 N CB -1.036 37.498 38.487 0.078 0.000 1.023 428 N HN 0.452 nan 8.380 nan 0.000 0.424 429 Y N 0.745 120.990 120.300 -0.092 0.000 2.314 429 Y HA 0.024 4.574 4.550 0.001 0.000 0.293 429 Y C 2.682 178.435 175.900 -0.245 0.000 1.129 429 Y CA 0.725 58.769 58.100 -0.094 0.000 1.201 429 Y CB -0.036 38.477 38.460 0.087 0.000 0.999 429 Y HN -0.010 nan 8.280 nan 0.000 0.541 430 R N 0.303 120.779 120.500 -0.041 0.000 2.092 430 R HA -0.124 4.217 4.340 0.001 0.000 0.231 430 R C 2.305 178.476 176.300 -0.215 0.000 1.119 430 R CA 1.141 57.189 56.100 -0.088 0.000 0.970 430 R CB -0.331 29.976 30.300 0.011 0.000 0.864 430 R HN 0.286 nan 8.270 nan 0.000 0.440 431 A N 0.670 123.260 122.820 -0.384 0.000 1.898 431 A HA -0.040 4.281 4.320 0.001 0.000 0.216 431 A C 2.340 179.760 177.584 -0.273 0.000 1.181 431 A CA 1.447 53.297 52.037 -0.312 0.000 0.620 431 A CB -0.764 17.891 19.000 -0.576 0.000 0.819 431 A HN 0.506 nan 8.150 nan 0.000 0.442 432 A N -0.135 122.433 122.820 -0.420 0.000 1.883 432 A HA -0.241 4.080 4.320 0.001 0.000 0.217 432 A C 2.068 179.297 177.584 -0.592 0.000 1.186 432 A CA 1.986 53.722 52.037 -0.501 0.000 0.624 432 A CB -0.609 17.989 19.000 -0.670 0.000 0.822 432 A HN 0.690 nan 8.150 nan 0.000 0.444 433 E N -1.322 118.413 120.200 -0.774 0.000 2.047 433 E HA -0.228 4.123 4.350 0.001 0.000 0.191 433 E C 1.963 178.485 176.600 -0.130 0.000 0.987 433 E CA 1.544 57.657 56.400 -0.478 0.000 0.799 433 E CB -0.201 29.332 29.700 -0.278 0.000 0.752 433 E HN 0.465 nan 8.360 nan 0.000 0.449 434 M N 0.435 119.978 119.600 -0.094 0.000 2.159 434 M HA -0.141 4.339 4.480 0.001 0.000 0.263 434 M C 2.095 178.470 176.300 0.124 0.000 1.063 434 M CA 1.480 56.799 55.300 0.031 0.000 1.110 434 M CB -0.405 32.192 32.600 -0.005 0.000 1.374 434 M HN 0.281 nan 8.290 nan 0.000 0.411 435 C N -0.426 118.918 119.300 0.072 0.000 2.446 435 C HA 0.025 4.486 4.460 0.001 0.000 0.277 435 C C 2.863 177.928 174.990 0.125 0.000 1.275 435 C CA 0.803 59.902 59.018 0.135 0.000 1.727 435 C CB -1.712 26.086 27.740 0.097 0.000 2.010 435 C HN 0.706 nan 8.230 nan 0.000 0.486 436 A N 0.528 123.424 122.820 0.127 0.000 1.933 436 A HA -0.239 4.082 4.320 0.001 0.000 0.218 436 A C 2.208 179.815 177.584 0.038 0.000 1.175 436 A CA 2.030 54.218 52.037 0.252 0.000 0.628 436 A CB -0.600 18.594 19.000 0.324 0.000 0.814 436 A HN 0.691 nan 8.150 nan 0.000 0.444 437 K N -1.529 118.852 120.400 -0.031 0.000 2.063 437 K HA -0.182 4.138 4.320 0.001 0.000 0.208 437 K C 0.843 177.152 176.600 -0.485 0.000 1.048 437 K CA 1.796 57.938 56.287 -0.241 0.000 0.928 437 K CB -0.272 32.056 32.500 -0.287 0.000 0.713 437 K HN 0.581 nan 8.250 nan 0.000 0.442 438 Y N 0.747 120.950 120.300 -0.161 0.000 2.532 438 Y HA 0.225 4.776 4.550 0.001 0.000 0.283 438 Y C -0.409 175.259 175.900 -0.387 0.000 1.181 438 Y CA -0.176 57.802 58.100 -0.202 0.000 1.256 438 Y CB 0.367 38.773 38.460 -0.089 0.000 1.112 438 Y HN -0.030 nan 8.280 nan 0.000 0.521 439 K N 0.833 120.835 120.400 -0.664 0.000 3.393 439 K HA -0.188 4.133 4.320 0.001 0.000 0.272 439 K C -1.185 174.978 176.600 -0.728 0.000 1.004 439 K CA 0.341 55.683 56.287 -1.576 0.000 0.764 439 K CB -1.897 29.785 32.500 -1.364 0.000 1.373 439 K HN 0.340 nan 8.250 nan 0.000 0.458 440 L N 1.368 122.461 121.223 -0.217 0.000 2.362 440 L HA 0.624 4.965 4.340 0.001 0.000 0.271 440 L C 0.662 177.676 176.870 0.240 0.000 1.002 440 L CA -1.356 53.544 54.840 0.100 0.000 0.818 440 L CB 1.575 43.735 42.059 0.169 0.000 1.298 440 L HN 0.178 nan 8.230 nan 0.000 0.420 441 I N 0.078 120.701 120.570 0.088 0.000 2.834 441 I HA 0.633 4.804 4.170 0.001 0.000 0.305 441 I C -0.985 174.995 176.117 -0.229 0.000 1.008 441 I CA -0.680 60.557 61.300 -0.105 0.000 1.273 441 I CB 1.574 39.371 38.000 -0.339 0.000 1.432 441 I HN 0.403 nan 8.210 nan 0.000 0.557 442 L N 2.905 123.936 121.223 -0.320 0.000 2.401 442 L HA 0.603 4.944 4.340 0.001 0.000 0.266 442 L C -1.607 174.969 176.870 -0.488 0.000 0.991 442 L CA -0.042 54.586 54.840 -0.353 0.000 0.818 442 L CB 1.827 43.718 42.059 -0.280 0.000 1.321 442 L HN 0.755 nan 8.230 nan 0.000 0.413 443 D N 3.995 124.128 120.400 -0.445 0.000 2.620 443 D HA 0.400 5.041 4.640 0.001 0.000 0.252 443 D C -1.503 174.644 176.300 -0.254 0.000 1.207 443 D CA -0.103 53.674 54.000 -0.372 0.000 0.884 443 D CB 1.175 41.827 40.800 -0.247 0.000 1.262 443 D HN 0.519 nan 8.370 nan 0.000 0.552 444 L N 4.194 125.255 121.223 -0.270 0.000 2.282 444 L HA 0.458 4.798 4.340 0.001 0.000 0.288 444 L C 0.433 177.337 176.870 0.057 0.000 1.033 444 L CA -0.614 54.147 54.840 -0.131 0.000 0.807 444 L CB 1.324 43.274 42.059 -0.182 0.000 1.209 444 L HN 0.363 nan 8.230 nan 0.000 0.423 445 H N 1.409 120.398 119.070 -0.136 0.000 2.771 445 H HA 0.289 4.846 4.556 0.001 0.000 0.367 445 H C 0.474 175.715 175.328 -0.145 0.000 1.172 445 H CA -0.257 55.720 56.048 -0.117 0.000 1.186 445 H CB 2.323 32.032 29.762 -0.087 0.000 1.790 445 H HN 0.778 nan 8.280 nan 0.000 0.556 446 G N 1.676 110.412 108.800 -0.107 0.000 2.295 446 G HA2 -0.256 3.705 3.960 0.001 0.000 0.287 446 G HA3 -0.256 3.705 3.960 0.001 0.000 0.287 446 G C 0.174 175.064 174.900 -0.016 0.000 1.055 446 G CA 1.084 46.095 45.100 -0.147 0.000 0.922 446 G HN 0.716 nan 8.290 nan 0.000 0.503 447 T N -1.511 113.013 114.554 -0.050 0.000 2.742 447 T HA 0.706 5.057 4.350 0.001 0.000 0.282 447 T C 0.384 174.875 174.700 -0.349 0.000 1.025 447 T CA 0.314 62.310 62.100 -0.174 0.000 1.020 447 T CB 1.027 69.728 68.868 -0.279 0.000 1.317 447 T HN 0.819 nan 8.240 nan 0.000 0.538 448 H N 0.121 118.835 119.070 -0.594 0.000 2.669 448 H HA 0.675 5.232 4.556 0.001 0.000 0.318 448 H C 0.197 175.292 175.328 -0.388 0.000 1.429 448 H CA -1.064 54.452 56.048 -0.887 0.000 1.460 448 H CB 0.219 29.154 29.762 -1.378 0.000 1.784 448 H HN 0.501 nan 8.280 nan 0.000 0.750 449 K N 0.252 120.591 120.400 -0.100 0.000 2.527 449 K HA -0.013 4.307 4.320 0.001 0.000 0.278 449 K C -1.975 174.550 176.600 -0.125 0.000 0.981 449 K CA -0.877 55.367 56.287 -0.072 0.000 1.009 449 K CB -0.019 32.476 32.500 -0.009 0.000 0.895 449 K HN 0.418 nan 8.250 nan 0.000 0.493 450 P HA -0.216 nan 4.420 nan 0.000 0.216 450 P C 0.128 177.188 177.300 -0.399 0.000 1.157 450 P CA 2.947 65.539 63.100 -0.847 0.000 0.880 450 P CB -0.123 30.837 31.700 -1.234 0.000 0.791 451 A N -2.562 120.119 122.820 -0.232 0.000 2.783 451 A HA -0.031 4.290 4.320 0.001 0.000 0.292 451 A C 1.443 178.974 177.584 -0.089 0.000 1.495 451 A CA 1.481 53.461 52.037 -0.096 0.000 0.787 451 A CB -2.211 16.790 19.000 0.002 0.000 1.017 451 A HN 0.585 nan 8.150 nan 0.000 0.516 452 G N -2.843 105.838 108.800 -0.198 0.000 2.217 452 G HA2 -0.196 3.765 3.960 0.001 0.000 0.246 452 G HA3 -0.196 3.765 3.960 0.001 0.000 0.246 452 G C 0.900 175.687 174.900 -0.189 0.000 0.990 452 G CA 0.944 45.920 45.100 -0.206 0.000 0.627 452 G HN 1.882 nan 8.290 nan 0.000 0.522 453 L N 2.677 123.807 121.223 -0.154 0.000 2.129 453 L HA -0.063 4.277 4.340 0.001 0.000 0.212 453 L C 2.493 179.347 176.870 -0.027 0.000 1.087 453 L CA 3.052 57.812 54.840 -0.134 0.000 0.757 453 L CB -0.647 41.306 42.059 -0.175 0.000 0.896 453 L HN 0.650 nan 8.230 nan 0.000 0.434 454 N N -0.349 118.354 118.700 0.004 0.000 2.520 454 N HA -0.243 4.497 4.740 0.001 0.000 0.185 454 N C 1.926 177.416 175.510 -0.032 0.000 1.068 454 N CA 1.257 54.380 53.050 0.121 0.000 0.911 454 N CB -0.558 38.056 38.487 0.211 0.000 0.961 454 N HN 0.555 nan 8.380 nan 0.000 0.446 455 R N 0.663 120.977 120.500 -0.310 0.000 2.075 455 R HA 0.054 4.395 4.340 0.001 0.000 0.220 455 R C 1.471 177.632 176.300 -0.232 0.000 1.118 455 R CA 1.206 57.009 56.100 -0.495 0.000 0.986 455 R CB -0.201 29.432 30.300 -1.111 0.000 0.884 455 R HN 0.104 nan 8.270 nan 0.000 0.439 456 T N -0.245 114.189 114.554 -0.200 0.000 2.746 456 T HA -0.133 4.218 4.350 0.001 0.000 0.267 456 T C -0.108 174.332 174.700 -0.434 0.000 1.039 456 T CA 1.316 63.271 62.100 -0.242 0.000 1.142 456 T CB -0.146 68.682 68.868 -0.067 0.000 0.866 456 T HN 0.200 nan 8.240 nan 0.000 0.444 457 Y N 1.083 121.369 120.300 -0.023 0.000 2.749 457 Y HA 0.304 4.854 4.550 0.001 0.000 0.343 457 Y C -1.960 173.942 175.900 0.003 0.000 1.015 457 Y CA -3.005 55.092 58.100 -0.007 0.000 1.270 457 Y CB 1.509 39.940 38.460 -0.048 0.000 1.097 457 Y HN 0.026 nan 8.280 nan 0.000 0.571 458 P HA -0.195 nan 4.420 nan 0.000 0.224 458 P C 0.610 177.938 177.300 0.047 0.000 1.142 458 P CA 1.387 64.602 63.100 0.192 0.000 0.778 458 P CB 0.363 32.240 31.700 0.295 0.000 0.764 459 N N -0.121 118.571 118.700 -0.013 0.000 2.463 459 N HA -0.022 4.719 4.740 0.001 0.000 0.181 459 N C 0.281 175.688 175.510 -0.172 0.000 1.078 459 N CA 0.285 53.244 53.050 -0.153 0.000 0.902 459 N CB -0.694 37.813 38.487 0.034 0.000 0.970 459 N HN -0.007 nan 8.380 nan 0.000 0.451 460 V N 2.566 122.403 119.914 -0.128 0.000 2.276 460 V HA 0.141 4.262 4.120 0.001 0.000 0.249 460 V C 1.576 177.486 176.094 -0.306 0.000 1.160 460 V CA -0.269 61.857 62.300 -0.289 0.000 1.042 460 V CB 0.175 31.833 31.823 -0.275 0.000 1.224 460 V HN 0.189 nan 8.190 nan 0.000 0.496 461 L N 2.289 123.306 121.223 -0.343 0.000 2.465 461 L HA 0.126 4.467 4.340 0.001 0.000 0.224 461 L C 0.943 177.733 176.870 -0.133 0.000 1.145 461 L CA 0.879 55.594 54.840 -0.208 0.000 0.834 461 L CB -0.139 41.774 42.059 -0.244 0.000 0.944 461 L HN 0.621 nan 8.230 nan 0.000 0.451 462 N N -1.351 117.113 118.700 -0.392 0.000 2.961 462 N HA 0.421 5.161 4.740 0.001 0.000 0.245 462 N C -1.706 173.390 175.510 -0.689 0.000 1.404 462 N CA -0.435 52.463 53.050 -0.253 0.000 0.880 462 N CB 1.789 40.302 38.487 0.042 0.000 1.461 462 N HN -0.246 nan 8.380 nan 0.000 0.510 463 F N 0.183 120.105 119.950 -0.047 0.000 2.588 463 F HA 0.451 4.979 4.527 0.001 0.000 0.310 463 F C 1.245 176.941 175.800 -0.172 0.000 1.082 463 F CA -0.696 57.237 58.000 -0.111 0.000 0.929 463 F CB 1.679 40.596 39.000 -0.139 0.000 1.254 463 F HN 0.469 nan 8.300 nan 0.000 0.455 464 E N 1.416 121.540 120.200 -0.128 0.000 3.227 464 E HA 0.407 4.757 4.350 0.001 0.000 0.455 464 E C 0.881 177.403 176.600 -0.130 0.000 0.292 464 E CA 0.451 56.667 56.400 -0.307 0.000 2.635 464 E CB 0.006 29.311 29.700 -0.659 0.000 2.232 464 E HN 0.906 nan 8.360 nan 0.000 0.443 465 G N 0.962 109.683 108.800 -0.131 0.000 2.323 465 G HA2 -0.198 3.763 3.960 0.001 0.000 0.292 465 G HA3 -0.198 3.763 3.960 0.001 0.000 0.292 465 G C -0.512 174.396 174.900 0.014 0.000 1.040 465 G CA 0.637 45.694 45.100 -0.070 0.000 0.942 465 G HN 0.353 nan 8.290 nan 0.000 0.506 466 V N -0.889 119.044 119.914 0.031 0.000 2.969 466 V HA 0.660 4.780 4.120 0.001 0.000 0.304 466 V C -0.338 175.837 176.094 0.134 0.000 1.192 466 V CA -1.104 61.293 62.300 0.160 0.000 0.962 466 V CB 2.094 33.996 31.823 0.132 0.000 1.045 466 V HN 0.257 nan 8.190 nan 0.000 0.428 467 N N 4.194 123.012 118.700 0.196 0.000 3.050 467 N HA 0.399 5.140 4.740 0.001 0.000 0.289 467 N C 0.445 175.922 175.510 -0.054 0.000 1.209 467 N CA 0.843 53.844 53.050 -0.083 0.000 1.154 467 N CB 0.429 38.588 38.487 -0.545 0.000 1.444 467 N HN 0.953 nan 8.380 nan 0.000 0.529 468 G N 0.149 108.870 108.800 -0.132 0.000 2.631 468 G HA2 0.011 3.971 3.960 0.001 0.000 0.271 468 G HA3 0.011 3.971 3.960 0.001 0.000 0.271 468 G C 1.012 175.624 174.900 -0.480 0.000 1.302 468 G CA -0.519 44.248 45.100 -0.556 0.000 1.002 468 G HN 0.470 nan 8.290 nan 0.000 0.519 469 L N 0.074 120.904 121.223 -0.656 0.000 2.353 469 L HA -0.036 4.305 4.340 0.001 0.000 0.220 469 L C 2.878 179.889 176.870 0.235 0.000 1.133 469 L CA 2.105 56.849 54.840 -0.160 0.000 0.798 469 L CB -0.553 41.393 42.059 -0.188 0.000 0.922 469 L HN 0.870 nan 8.230 nan 0.000 0.445 470 E N -2.069 118.261 120.200 0.217 0.000 2.265 470 E HA -0.259 4.091 4.350 0.001 0.000 0.196 470 E C 1.593 177.890 176.600 -0.505 0.000 0.996 470 E CA 0.838 57.378 56.400 0.232 0.000 0.832 470 E CB -0.318 29.698 29.700 0.526 0.000 0.756 470 E HN 0.494 nan 8.360 nan 0.000 0.491 471 Q N 0.075 119.655 119.800 -0.367 0.000 2.291 471 Q HA -0.045 4.295 4.340 0.001 0.000 0.206 471 Q C 1.930 177.545 176.000 -0.642 0.000 0.976 471 Q CA 0.917 56.373 55.803 -0.579 0.000 0.875 471 Q CB -0.148 28.499 28.738 -0.151 0.000 0.927 471 Q HN 0.470 nan 8.270 nan 0.000 0.450 472 M N 0.057 119.471 119.600 -0.310 0.000 2.632 472 M HA -0.064 4.416 4.480 0.001 0.000 0.256 472 M C 1.337 177.510 176.300 -0.212 0.000 1.080 472 M CA 0.982 56.244 55.300 -0.063 0.000 1.084 472 M CB -0.395 32.315 32.600 0.183 0.000 1.439 472 M HN 0.078 nan 8.290 nan 0.000 0.509 473 K N -0.963 119.048 120.400 -0.648 0.000 2.418 473 K HA -0.108 4.213 4.320 0.001 0.000 0.195 473 K C 1.103 177.629 176.600 -0.125 0.000 1.035 473 K CA 1.039 56.972 56.287 -0.588 0.000 1.003 473 K CB 0.181 32.123 32.500 -0.929 0.000 0.793 473 K HN 0.585 nan 8.250 nan 0.000 0.494 474 W N -2.694 118.663 121.300 0.096 0.000 1.425 474 W HA 0.353 5.014 4.660 0.001 0.000 0.185 474 W C -0.330 176.236 176.519 0.079 0.000 0.771 474 W CA -0.598 56.809 57.345 0.103 0.000 0.826 474 W CB -0.344 29.206 29.460 0.150 0.000 0.831 474 W HN -0.348 nan 8.180 nan 0.000 0.503 475 S N 2.310 118.115 115.700 0.176 0.000 2.568 475 S HA 0.328 4.799 4.470 0.001 0.000 0.282 475 S C 0.744 175.466 174.600 0.203 0.000 1.338 475 S CA 0.339 58.682 58.200 0.237 0.000 1.045 475 S CB 0.780 64.052 63.200 0.120 0.000 0.873 475 S HN 0.302 nan 8.310 nan 0.000 0.516 476 S N 2.400 118.190 115.700 0.149 0.000 2.614 476 S HA 0.287 4.758 4.470 0.001 0.000 0.265 476 S C -2.148 172.574 174.600 0.204 0.000 1.303 476 S CA -1.190 57.060 58.200 0.083 0.000 1.000 476 S CB 0.343 63.573 63.200 0.051 0.000 0.935 476 S HN 0.341 nan 8.310 nan 0.000 0.551 477 P HA -0.073 nan 4.420 nan 0.000 0.223 477 P C 1.433 178.829 177.300 0.160 0.000 1.144 477 P CA 1.305 64.582 63.100 0.295 0.000 0.783 477 P CB -0.192 31.628 31.700 0.200 0.000 0.771 478 S N -2.045 113.721 115.700 0.110 0.000 2.507 478 S HA -0.026 4.445 4.470 0.001 0.000 0.235 478 S C 0.872 175.522 174.600 0.084 0.000 0.988 478 S CA 0.203 58.453 58.200 0.084 0.000 0.944 478 S CB -1.120 62.121 63.200 0.068 0.000 0.762 478 S HN -0.099 nan 8.310 nan 0.000 0.526 479 V N 3.409 123.368 119.914 0.074 0.000 2.405 479 V HA 0.213 4.334 4.120 0.001 0.000 0.264 479 V C 0.085 176.205 176.094 0.044 0.000 1.048 479 V CA -0.358 61.968 62.300 0.043 0.000 0.966 479 V CB 0.710 32.540 31.823 0.011 0.000 1.015 479 V HN 0.309 nan 8.190 nan 0.000 0.477 480 D N 4.181 124.648 120.400 0.113 0.000 2.494 480 D HA 0.133 4.774 4.640 0.001 0.000 0.217 480 D C 0.988 177.407 176.300 0.197 0.000 1.153 480 D CA -0.144 53.983 54.000 0.212 0.000 0.954 480 D CB 1.314 42.285 40.800 0.284 0.000 1.034 480 D HN 0.572 nan 8.370 nan 0.000 0.518 481 Q N 2.022 121.899 119.800 0.129 0.000 2.124 481 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 481 Q C 1.743 177.850 176.000 0.179 0.000 0.977 481 Q CA 1.227 57.129 55.803 0.164 0.000 0.850 481 Q CB -0.063 28.718 28.738 0.073 0.000 0.901 481 Q HN 0.370 nan 8.270 nan 0.000 0.429 482 V N 0.604 120.537 119.914 0.032 0.000 2.287 482 V HA -0.288 3.833 4.120 0.001 0.000 0.248 482 V C 2.239 178.268 176.094 -0.109 0.000 1.053 482 V CA 2.124 64.285 62.300 -0.231 0.000 1.027 482 V CB -0.534 30.712 31.823 -0.962 0.000 0.646 482 V HN 0.332 nan 8.190 nan 0.000 0.447 483 K N -0.500 119.919 120.400 0.032 0.000 2.057 483 K HA -0.215 4.106 4.320 0.001 0.000 0.207 483 K C 2.076 178.805 176.600 0.215 0.000 1.049 483 K CA 1.673 58.035 56.287 0.124 0.000 0.931 483 K CB -0.674 31.955 32.500 0.216 0.000 0.714 483 K HN 0.489 nan 8.250 nan 0.000 0.440 484 Y N 1.683 122.073 120.300 0.150 0.000 2.181 484 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 484 Y C 1.387 177.422 175.900 0.224 0.000 1.146 484 Y CA 2.086 60.319 58.100 0.223 0.000 1.164 484 Y CB -0.331 38.262 38.460 0.222 0.000 0.982 484 Y HN 0.208 nan 8.280 nan 0.000 0.515 485 D N -0.468 120.047 120.400 0.191 0.000 2.149 485 D HA -0.153 4.488 4.640 0.001 0.000 0.198 485 D C 2.052 178.396 176.300 0.073 0.000 0.990 485 D CA 1.947 56.027 54.000 0.134 0.000 0.839 485 D CB -0.470 40.358 40.800 0.047 0.000 0.948 485 D HN 0.418 nan 8.370 nan 0.000 0.460 486 V N -2.408 117.540 119.914 0.056 0.000 3.623 486 V HA 0.100 4.221 4.120 0.001 0.000 0.271 486 V C 1.744 177.938 176.094 0.167 0.000 1.248 486 V CA 0.285 62.646 62.300 0.103 0.000 1.156 486 V CB -0.035 31.841 31.823 0.088 0.000 0.870 486 V HN -0.033 nan 8.190 nan 0.000 0.453 487 M N 1.159 120.797 119.600 0.063 0.000 2.556 487 M HA 0.284 4.764 4.480 0.001 0.000 0.259 487 M C 2.325 178.571 176.300 -0.092 0.000 1.175 487 M CA 1.647 56.940 55.300 -0.011 0.000 1.202 487 M CB -0.509 32.073 32.600 -0.030 0.000 1.298 487 M HN 0.528 nan 8.290 nan 0.000 0.492 488 I N -0.542 119.905 120.570 -0.204 0.000 2.399 488 I HA -0.142 4.028 4.170 0.001 0.000 0.254 488 I C -0.950 175.024 176.117 -0.239 0.000 1.146 488 I CA 1.188 62.342 61.300 -0.244 0.000 1.412 488 I CB -2.409 35.311 38.000 -0.467 0.000 1.076 488 I HN 0.109 nan 8.210 nan 0.000 0.432 489 P HA -0.080 nan 4.420 nan 0.000 0.222 489 P C 1.152 178.125 177.300 -0.546 0.000 1.147 489 P CA 1.490 64.334 63.100 -0.427 0.000 0.790 489 P CB -0.123 31.238 31.700 -0.564 0.000 0.780 490 F N -2.641 117.213 119.950 -0.161 0.000 2.695 490 F HA 0.272 4.800 4.527 0.001 0.000 0.303 490 F C 1.656 177.351 175.800 -0.176 0.000 1.091 490 F CA 0.175 58.078 58.000 -0.162 0.000 1.300 490 F CB -0.035 38.857 39.000 -0.180 0.000 1.071 490 F HN -0.151 nan 8.300 nan 0.000 0.578 491 I N -1.389 119.147 120.570 -0.056 0.000 3.861 491 I HA 0.118 4.289 4.170 0.001 0.000 0.267 491 I C 2.148 178.267 176.117 0.004 0.000 0.933 491 I CA -0.328 60.927 61.300 -0.074 0.000 2.302 491 I CB -0.277 37.554 38.000 -0.282 0.000 1.574 491 I HN -0.281 nan 8.210 nan 0.000 0.472 492 R N 1.810 122.363 120.500 0.087 0.000 2.103 492 R HA -0.243 4.098 4.340 0.001 0.000 0.242 492 R C 2.078 178.375 176.300 -0.005 0.000 1.142 492 R CA 2.240 58.404 56.100 0.107 0.000 0.960 492 R CB -0.712 29.685 30.300 0.162 0.000 0.858 492 R HN 0.468 nan 8.270 nan 0.000 0.439 493 Q N -0.404 119.347 119.800 -0.081 0.000 2.364 493 Q HA -0.032 4.309 4.340 0.001 0.000 0.207 493 Q C 1.559 177.531 176.000 -0.047 0.000 0.970 493 Q CA 1.016 56.763 55.803 -0.093 0.000 0.888 493 Q CB 0.193 28.831 28.738 -0.167 0.000 0.951 493 Q HN 0.310 nan 8.270 nan 0.000 0.469 494 V N 0.019 119.906 119.914 -0.044 0.000 2.490 494 V HA -0.217 3.904 4.120 0.001 0.000 0.250 494 V C 2.162 178.250 176.094 -0.011 0.000 1.061 494 V CA 1.859 64.143 62.300 -0.027 0.000 1.064 494 V CB -0.379 31.430 31.823 -0.024 0.000 0.670 494 V HN 0.388 nan 8.190 nan 0.000 0.461 495 S N -1.411 114.277 115.700 -0.021 0.000 2.436 495 S HA 0.281 4.752 4.470 0.001 0.000 0.228 495 S C 0.802 175.348 174.600 -0.090 0.000 1.014 495 S CA 1.085 59.256 58.200 -0.050 0.000 0.950 495 S CB -0.008 63.161 63.200 -0.052 0.000 0.784 495 S HN 0.881 nan 8.310 nan 0.000 0.504 496 G N -0.117 108.650 108.800 -0.054 0.000 2.359 496 G HA2 0.279 4.240 3.960 0.001 0.000 0.293 496 G HA3 0.279 4.240 3.960 0.001 0.000 0.293 496 G C -3.423 171.488 174.900 0.018 0.000 1.300 496 G CA -1.056 44.007 45.100 -0.060 0.000 0.888 496 G HN 0.069 nan 8.290 nan 0.000 0.541 497 P HA 0.317 nan 4.420 nan 0.000 0.266 497 P C -0.171 177.222 177.300 0.154 0.000 1.193 497 P CA 0.558 63.774 63.100 0.194 0.000 0.770 497 P CB 0.320 32.194 31.700 0.289 0.000 0.836 498 M N 1.566 121.218 119.600 0.085 0.000 2.393 498 M HA 0.283 4.764 4.480 0.001 0.000 0.316 498 M C -0.286 176.044 176.300 0.049 0.000 1.087 498 M CA -0.559 54.759 55.300 0.031 0.000 0.937 498 M CB 2.015 34.554 32.600 -0.102 0.000 1.668 498 M HN 0.115 nan 8.290 nan 0.000 0.438 499 D N 1.357 121.771 120.400 0.023 0.000 2.638 499 D HA 0.096 4.737 4.640 0.001 0.000 0.245 499 D C 0.271 176.574 176.300 0.004 0.000 1.176 499 D CA -0.078 53.932 54.000 0.017 0.000 0.996 499 D CB 0.141 40.977 40.800 0.059 0.000 1.012 499 D HN 0.543 nan 8.370 nan 0.000 0.515 500 Y N 2.591 122.844 120.300 -0.078 0.000 2.373 500 Y HA -0.063 4.488 4.550 0.001 0.000 0.293 500 Y C 0.967 176.863 175.900 -0.006 0.000 1.129 500 Y CA 1.804 59.883 58.100 -0.034 0.000 1.226 500 Y CB -0.052 38.390 38.460 -0.030 0.000 1.000 500 Y HN 0.357 nan 8.280 nan 0.000 0.549 501 T N -0.147 114.463 114.554 0.093 0.000 3.574 501 T HA -0.232 4.118 4.350 0.001 0.000 0.406 501 T C -0.334 174.350 174.700 -0.026 0.000 0.765 501 T CA 0.542 62.628 62.100 -0.024 0.000 2.116 501 T CB -1.993 66.848 68.868 -0.044 0.000 1.724 501 T HN 0.808 nan 8.240 nan 0.000 0.738 502 Q N 1.436 121.261 119.800 0.041 0.000 2.298 502 Q HA 0.658 4.999 4.340 0.001 0.000 0.181 502 Q C 1.324 177.289 176.000 -0.060 0.000 1.004 502 Q CA -0.077 55.710 55.803 -0.027 0.000 1.050 502 Q CB 0.709 29.403 28.738 -0.073 0.000 1.254 502 Q HN 1.915 nan 8.270 nan 0.000 0.531 503 G N -1.229 107.586 108.800 0.025 0.000 2.143 503 G HA2 -0.052 3.909 3.960 0.001 0.000 0.175 503 G HA3 -0.052 3.909 3.960 0.001 0.000 0.175 503 G C 0.110 175.083 174.900 0.121 0.000 1.004 503 G CA -0.103 45.144 45.100 0.244 0.000 0.671 503 G HN 0.914 nan 8.290 nan 0.000 0.512 504 A N 0.343 123.132 122.820 -0.052 0.000 2.477 504 A HA 0.676 4.997 4.320 0.001 0.000 0.246 504 A C 1.409 179.033 177.584 0.067 0.000 1.078 504 A CA 0.612 52.644 52.037 -0.009 0.000 0.770 504 A CB 0.183 19.236 19.000 0.088 0.000 1.011 504 A HN 0.312 nan 8.150 nan 0.000 0.494 505 M N 1.168 120.788 119.600 0.035 0.000 2.516 505 M HA 0.119 4.600 4.480 0.001 0.000 0.259 505 M C 1.098 177.440 176.300 0.070 0.000 1.146 505 M CA 0.800 56.115 55.300 0.025 0.000 1.122 505 M CB -0.565 31.992 32.600 -0.072 0.000 1.341 505 M HN 0.737 nan 8.290 nan 0.000 0.478 506 R N 2.112 122.674 120.500 0.103 0.000 2.202 506 R HA 0.236 4.576 4.340 0.001 0.000 0.334 506 R C -1.084 175.309 176.300 0.156 0.000 1.036 506 R CA 0.075 56.244 56.100 0.115 0.000 0.878 506 R CB 0.282 30.647 30.300 0.107 0.000 1.067 506 R HN 0.288 nan 8.270 nan 0.000 0.457 507 N N 1.961 120.749 118.700 0.146 0.000 2.399 507 N HA 0.326 5.067 4.740 0.001 0.000 0.280 507 N C -1.387 174.231 175.510 0.181 0.000 1.008 507 N CA -0.562 52.588 53.050 0.165 0.000 0.894 507 N CB 2.251 40.824 38.487 0.144 0.000 1.273 507 N HN 0.457 nan 8.380 nan 0.000 0.486 508 A N 1.580 124.539 122.820 0.231 0.000 2.252 508 A HA 0.519 4.840 4.320 0.001 0.000 0.309 508 A C 0.540 178.305 177.584 0.302 0.000 1.285 508 A CA -0.635 51.553 52.037 0.253 0.000 0.900 508 A CB 0.083 19.271 19.000 0.313 0.000 1.157 508 A HN 0.666 nan 8.150 nan 0.000 0.536 509 S N 2.584 118.434 115.700 0.250 0.000 2.617 509 S HA 0.256 4.727 4.470 0.001 0.000 0.259 509 S C 0.351 175.103 174.600 0.252 0.000 1.301 509 S CA -0.501 57.879 58.200 0.299 0.000 0.984 509 S CB 0.209 63.526 63.200 0.196 0.000 0.954 509 S HN 0.728 nan 8.310 nan 0.000 0.572 510 K N 0.224 120.702 120.400 0.131 0.000 2.466 510 K HA 0.247 4.567 4.320 0.001 0.000 0.278 510 K C 1.343 177.867 176.600 -0.127 0.000 1.048 510 K CA 1.103 57.197 56.287 -0.322 0.000 1.088 510 K CB -0.780 31.387 32.500 -0.555 0.000 0.884 510 K HN 1.095 nan 8.250 nan 0.000 0.478 511 G N 3.505 112.248 108.800 -0.095 0.000 2.199 511 G HA2 -0.264 3.697 3.960 0.001 0.000 0.254 511 G HA3 -0.264 3.697 3.960 0.001 0.000 0.254 511 G C 0.492 175.434 174.900 0.071 0.000 0.982 511 G CA 0.374 45.470 45.100 -0.006 0.000 0.632 511 G HN 0.713 nan 8.290 nan 0.000 0.529 512 N N -0.889 117.881 118.700 0.116 0.000 2.299 512 N HA 0.233 4.974 4.740 0.001 0.000 0.187 512 N C 0.422 176.037 175.510 0.175 0.000 1.099 512 N CA -0.129 52.997 53.050 0.125 0.000 0.867 512 N CB 0.065 38.621 38.487 0.115 0.000 0.974 512 N HN 0.617 nan 8.380 nan 0.000 0.477 513 Y N 0.780 121.157 120.300 0.130 0.000 2.346 513 Y HA 0.331 4.881 4.550 0.001 0.000 0.330 513 Y C -0.909 175.101 175.900 0.185 0.000 1.178 513 Y CA -0.455 57.736 58.100 0.152 0.000 1.331 513 Y CB 0.246 38.797 38.460 0.152 0.000 1.253 513 Y HN 0.056 nan 8.280 nan 0.000 0.529 514 Y N 7.233 126.824 120.300 -1.182 0.000 2.480 514 Y HA 0.368 4.919 4.550 0.001 0.000 0.329 514 Y C -2.760 172.561 175.900 -0.966 0.000 1.127 514 Y CA -2.691 54.849 58.100 -0.932 0.000 1.037 514 Y CB 1.837 40.080 38.460 -0.361 0.000 1.320 514 Y HN 0.550 nan 8.280 nan 0.000 0.446 515 P HA 0.106 nan 4.420 nan 0.000 0.266 515 P C -0.728 176.565 177.300 -0.012 0.000 1.215 515 P CA 0.424 63.330 63.100 -0.323 0.000 0.763 515 P CB 0.666 32.237 31.700 -0.214 0.000 0.806 516 C N 5.369 124.649 119.300 -0.034 0.000 2.478 516 C HA 0.247 4.707 4.460 0.001 0.000 0.334 516 C C 1.462 176.390 174.990 -0.103 0.000 1.106 516 C CA -0.543 58.473 59.018 -0.003 0.000 1.363 516 C CB -0.832 26.885 27.740 -0.038 0.000 1.941 516 C HN 0.726 nan 8.230 nan 0.000 0.436 517 Y N 3.862 124.086 120.300 -0.127 0.000 2.145 517 Y HA -0.142 4.409 4.550 0.001 0.000 0.286 517 Y C 2.448 178.166 175.900 -0.303 0.000 1.145 517 Y CA 2.804 60.789 58.100 -0.192 0.000 1.148 517 Y CB 0.343 38.764 38.460 -0.065 0.000 0.981 517 Y HN 0.726 nan 8.280 nan 0.000 0.507 518 S N -1.357 114.323 115.700 -0.034 0.000 2.524 518 S HA 0.081 4.552 4.470 0.001 0.000 0.216 518 S C 0.518 174.986 174.600 -0.221 0.000 0.987 518 S CA 0.346 58.475 58.200 -0.118 0.000 0.909 518 S CB 0.029 63.233 63.200 0.007 0.000 0.781 518 S HN 0.517 nan 8.310 nan 0.000 0.521 519 E N 2.416 122.478 120.200 -0.230 0.000 4.129 519 E HA 0.279 4.630 4.350 0.001 0.000 0.222 519 E C -2.826 173.619 176.600 -0.258 0.000 1.179 519 E CA -1.907 54.362 56.400 -0.219 0.000 1.334 519 E CB 1.434 31.062 29.700 -0.120 0.000 1.202 519 E HN 0.465 nan 8.360 nan 0.000 0.428 520 P HA 0.014 nan 4.420 nan 0.000 0.270 520 P C -0.216 177.003 177.300 -0.135 0.000 1.223 520 P CA 0.093 62.893 63.100 -0.501 0.000 0.785 520 P CB 0.797 31.757 31.700 -1.233 0.000 0.923 521 M N -0.560 119.121 119.600 0.135 0.000 2.667 521 M HA 0.618 5.099 4.480 0.001 0.000 0.286 521 M C -0.646 175.910 176.300 0.427 0.000 1.270 521 M CA -0.896 54.592 55.300 0.314 0.000 0.826 521 M CB 2.134 34.875 32.600 0.235 0.000 1.743 521 M HN 0.319 nan 8.290 nan 0.000 0.460 522 S N -0.101 115.807 115.700 0.347 0.000 2.718 522 S HA 0.571 5.042 4.470 0.001 0.000 0.300 522 S C -0.722 174.021 174.600 0.239 0.000 1.117 522 S CA -0.808 57.552 58.200 0.267 0.000 1.002 522 S CB 1.793 65.104 63.200 0.186 0.000 1.092 522 S HN 0.806 nan 8.310 nan 0.000 0.542 523 Q N 0.162 120.056 119.800 0.158 0.000 2.230 523 Q HA 0.611 4.951 4.340 0.001 0.000 0.253 523 Q C 0.581 176.656 176.000 0.125 0.000 0.919 523 Q CA 0.172 56.097 55.803 0.203 0.000 0.908 523 Q CB 1.431 30.267 28.738 0.164 0.000 1.245 523 Q HN 1.246 nan 8.270 nan 0.000 0.437 524 G N 0.894 109.820 108.800 0.209 0.000 2.512 524 G HA2 -0.218 3.742 3.960 0.001 0.000 0.210 524 G HA3 -0.218 3.742 3.960 0.001 0.000 0.210 524 G C -0.286 174.682 174.900 0.114 0.000 1.295 524 G CA -0.410 44.719 45.100 0.049 0.000 0.934 524 G HN 0.798 nan 8.290 nan 0.000 0.554 525 T N -2.418 112.173 114.554 0.062 0.000 2.923 525 T HA 0.663 5.013 4.350 0.001 0.000 0.281 525 T C 1.380 176.123 174.700 0.072 0.000 0.995 525 T CA 0.677 62.834 62.100 0.096 0.000 0.985 525 T CB 2.009 70.942 68.868 0.110 0.000 1.114 525 T HN 1.098 nan 8.240 nan 0.000 0.548 526 R N -0.046 120.515 120.500 0.102 0.000 2.073 526 R HA -0.007 4.334 4.340 0.001 0.000 0.234 526 R C 2.189 178.486 176.300 -0.004 0.000 1.134 526 R CA 1.977 58.114 56.100 0.063 0.000 0.952 526 R CB -1.487 28.877 30.300 0.107 0.000 0.850 526 R HN 0.790 nan 8.270 nan 0.000 0.433 527 C N 0.413 119.732 119.300 0.032 0.000 2.432 527 C HA 0.076 4.537 4.460 0.001 0.000 0.282 527 C C 2.620 177.565 174.990 -0.075 0.000 1.388 527 C CA 0.777 59.786 59.018 -0.015 0.000 1.777 527 C CB -1.118 26.682 27.740 0.099 0.000 1.882 527 C HN 0.549 nan 8.230 nan 0.000 0.520 528 R N 0.628 121.090 120.500 -0.064 0.000 2.073 528 R HA -0.147 4.193 4.340 0.001 0.000 0.234 528 R C 2.300 178.497 176.300 -0.173 0.000 1.134 528 R CA 1.459 57.479 56.100 -0.134 0.000 0.952 528 R CB -0.275 29.952 30.300 -0.121 0.000 0.850 528 R HN 0.449 nan 8.270 nan 0.000 0.433 529 Q N 0.695 120.435 119.800 -0.100 0.000 2.096 529 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 529 Q C 2.289 178.282 176.000 -0.012 0.000 0.982 529 Q CA 1.556 57.318 55.803 -0.069 0.000 0.850 529 Q CB -0.312 28.437 28.738 0.019 0.000 0.901 529 Q HN 0.448 nan 8.270 nan 0.000 0.422 530 L N -0.156 121.039 121.223 -0.047 0.000 2.056 530 L HA -0.139 4.202 4.340 0.001 0.000 0.207 530 L C 2.468 179.334 176.870 -0.007 0.000 1.078 530 L CA 1.068 55.875 54.840 -0.054 0.000 0.749 530 L CB -0.745 41.024 42.059 -0.483 0.000 0.901 530 L HN 0.111 nan 8.230 nan 0.000 0.433 531 A N 0.301 123.022 122.820 -0.166 0.000 1.972 531 A HA -0.154 4.166 4.320 0.001 0.000 0.219 531 A C 2.255 179.673 177.584 -0.277 0.000 1.169 531 A CA 1.285 53.186 52.037 -0.227 0.000 0.635 531 A CB -0.704 18.096 19.000 -0.333 0.000 0.810 531 A HN 0.382 nan 8.150 nan 0.000 0.446 532 L N -2.026 118.947 121.223 -0.417 0.000 2.187 532 L HA -0.222 4.119 4.340 0.001 0.000 0.213 532 L C 2.221 178.797 176.870 -0.490 0.000 1.100 532 L CA 1.206 55.587 54.840 -0.764 0.000 0.765 532 L CB -0.662 40.783 42.059 -1.024 0.000 0.904 532 L HN 0.490 nan 8.230 nan 0.000 0.437 533 Y N -1.137 119.070 120.300 -0.156 0.000 2.574 533 Y HA -0.132 4.419 4.550 0.001 0.000 0.294 533 Y C 2.167 178.076 175.900 0.016 0.000 1.142 533 Y CA 0.573 58.657 58.100 -0.027 0.000 1.314 533 Y CB -0.081 38.391 38.460 0.021 0.000 0.991 533 Y HN -0.050 nan 8.280 nan 0.000 0.555 534 V N -2.706 117.234 119.914 0.045 0.000 2.806 534 V HA -0.095 4.026 4.120 0.001 0.000 0.239 534 V C 1.913 177.897 176.094 -0.183 0.000 1.113 534 V CA 0.684 62.945 62.300 -0.065 0.000 1.137 534 V CB -0.330 31.452 31.823 -0.069 0.000 0.865 534 V HN 0.049 nan 8.190 nan 0.000 0.482 535 V N -0.599 119.170 119.914 -0.242 0.000 2.358 535 V HA -0.106 4.014 4.120 0.001 0.000 0.246 535 V C 1.052 177.124 176.094 -0.037 0.000 1.047 535 V CA 1.407 63.557 62.300 -0.250 0.000 1.035 535 V CB -0.516 31.066 31.823 -0.402 0.000 0.658 535 V HN 0.331 nan 8.190 nan 0.000 0.452 536 F N 0.220 120.031 119.950 -0.232 0.000 2.385 536 F HA 0.370 4.897 4.527 0.001 0.000 0.336 536 F C 0.558 176.302 175.800 -0.093 0.000 1.100 536 F CA -0.875 57.002 58.000 -0.204 0.000 1.116 536 F CB 0.890 39.725 39.000 -0.274 0.000 1.166 536 F HN 0.085 nan 8.300 nan 0.000 0.511 537 E N 1.616 121.901 120.200 0.143 0.000 2.109 537 E HA 0.300 4.651 4.350 0.001 0.000 0.278 537 E C -1.160 175.550 176.600 0.183 0.000 0.954 537 E CA -0.467 56.035 56.400 0.169 0.000 0.779 537 E CB 1.448 31.238 29.700 0.151 0.000 1.093 537 E HN 0.352 nan 8.360 nan 0.000 0.401 538 S N 4.392 120.208 115.700 0.193 0.000 2.381 538 S HA 0.178 4.648 4.470 0.001 0.000 0.193 538 S C -2.195 172.497 174.600 0.154 0.000 1.287 538 S CA -0.959 57.335 58.200 0.157 0.000 1.199 538 S CB 1.199 64.459 63.200 0.100 0.000 1.214 538 S HN 0.356 nan 8.310 nan 0.000 0.444 539 P HA -0.084 nan 4.420 nan 0.000 0.216 539 P C 0.082 177.482 177.300 0.167 0.000 1.150 539 P CA 1.015 64.207 63.100 0.153 0.000 0.843 539 P CB 0.155 31.954 31.700 0.166 0.000 0.787 540 F N 0.296 120.229 119.950 -0.029 0.000 2.325 540 F HA 0.478 5.005 4.527 0.001 0.000 0.369 540 F C -0.364 175.414 175.800 -0.037 0.000 1.095 540 F CA -1.462 56.499 58.000 -0.066 0.000 1.082 540 F CB -0.087 38.817 39.000 -0.160 0.000 1.289 540 F HN -0.291 nan 8.300 nan 0.000 0.462 541 N N 5.739 124.332 118.700 -0.179 0.000 2.362 541 N HA 0.414 5.155 4.740 0.001 0.000 0.298 541 N C -0.712 174.673 175.510 -0.208 0.000 1.048 541 N CA -0.433 52.536 53.050 -0.134 0.000 0.858 541 N CB 1.453 39.973 38.487 0.055 0.000 1.218 541 N HN 0.389 nan 8.380 nan 0.000 0.488 542 M N 2.113 121.614 119.600 -0.166 0.000 2.342 542 M HA 0.356 4.837 4.480 0.001 0.000 0.332 542 M C -0.429 175.959 176.300 0.147 0.000 1.166 542 M CA -0.688 54.552 55.300 -0.100 0.000 1.086 542 M CB 0.545 33.030 32.600 -0.191 0.000 1.541 542 M HN 0.282 nan 8.290 nan 0.000 0.462 543 L N 2.265 123.617 121.223 0.215 0.000 2.337 543 L HA 0.260 4.600 4.340 0.001 0.000 0.269 543 L C 0.921 178.066 176.870 0.457 0.000 1.018 543 L CA -0.225 54.788 54.840 0.287 0.000 0.876 543 L CB 0.923 43.023 42.059 0.069 0.000 1.236 543 L HN 1.026 nan 8.230 nan 0.000 0.436 544 C N -0.516 118.996 119.300 0.353 0.000 2.435 544 C HA 0.030 4.491 4.460 0.001 0.000 0.279 544 C C 1.162 176.369 174.990 0.363 0.000 1.321 544 C CA -0.038 59.154 59.018 0.290 0.000 1.752 544 C CB -0.383 27.084 27.740 -0.454 0.000 1.959 544 C HN 0.711 nan 8.230 nan 0.000 0.500 545 D N 1.507 122.080 120.400 0.289 0.000 2.398 545 D HA 0.269 4.909 4.640 0.001 0.000 0.247 545 D C 0.422 176.730 176.300 0.014 0.000 1.227 545 D CA 0.725 54.774 54.000 0.082 0.000 0.980 545 D CB 1.358 41.892 40.800 -0.443 0.000 1.106 545 D HN 0.594 nan 8.370 nan 0.000 0.493 546 T N -1.437 113.029 114.554 -0.147 0.000 2.918 546 T HA 0.205 4.556 4.350 0.001 0.000 0.302 546 T C -1.911 172.559 174.700 -0.382 0.000 1.045 546 T CA -1.144 60.846 62.100 -0.184 0.000 1.114 546 T CB 1.233 69.990 68.868 -0.185 0.000 0.965 546 T HN 0.098 nan 8.240 nan 0.000 0.540 547 P HA -0.051 nan 4.420 nan 0.000 0.218 547 P C 1.738 178.708 177.300 -0.550 0.000 1.149 547 P CA 0.847 63.334 63.100 -1.022 0.000 0.817 547 P CB -0.050 31.053 31.700 -0.996 0.000 0.785 548 S N -0.505 114.982 115.700 -0.355 0.000 2.359 548 S HA -0.182 4.289 4.470 0.001 0.000 0.224 548 S C 1.826 176.321 174.600 -0.175 0.000 1.035 548 S CA 1.517 59.593 58.200 -0.207 0.000 1.018 548 S CB -1.124 61.974 63.200 -0.169 0.000 0.876 548 S HN 0.213 nan 8.310 nan 0.000 0.448 549 N N 0.340 118.892 118.700 -0.247 0.000 2.142 549 N HA -0.022 4.719 4.740 0.001 0.000 0.186 549 N C 1.466 176.859 175.510 -0.196 0.000 1.023 549 N CA 1.046 53.955 53.050 -0.234 0.000 0.852 549 N CB -0.479 37.816 38.487 -0.318 0.000 0.998 549 N HN 0.402 nan 8.380 nan 0.000 0.424 550 Y N 0.782 121.012 120.300 -0.117 0.000 2.224 550 Y HA 0.005 4.555 4.550 0.001 0.000 0.289 550 Y C 2.246 178.182 175.900 0.060 0.000 1.146 550 Y CA 0.859 58.944 58.100 -0.024 0.000 1.182 550 Y CB -0.460 37.970 38.460 -0.050 0.000 0.983 550 Y HN 0.073 nan 8.280 nan 0.000 0.524 551 M N -0.877 118.815 119.600 0.153 0.000 2.460 551 M HA -0.152 4.329 4.480 0.001 0.000 0.263 551 M C 1.702 178.071 176.300 0.115 0.000 1.071 551 M CA 1.349 56.749 55.300 0.166 0.000 1.096 551 M CB -0.174 32.497 32.600 0.119 0.000 1.408 551 M HN 0.106 nan 8.290 nan 0.000 0.463 552 R N 0.209 120.755 120.500 0.076 0.000 2.297 552 R HA 0.025 4.366 4.340 0.001 0.000 0.197 552 R C -0.049 176.317 176.300 0.110 0.000 0.943 552 R CA 0.519 56.662 56.100 0.070 0.000 1.038 552 R CB 0.364 30.683 30.300 0.032 0.000 0.957 552 R HN 0.204 nan 8.270 nan 0.000 0.484 553 E N -0.061 120.226 120.200 0.145 0.000 3.568 553 E HA 0.151 4.501 4.350 0.001 0.000 0.213 553 E C -2.224 174.497 176.600 0.203 0.000 1.197 553 E CA -1.807 54.701 56.400 0.181 0.000 1.126 553 E CB 1.454 31.254 29.700 0.168 0.000 1.285 553 E HN -0.000 nan 8.360 nan 0.000 0.418 554 P HA -0.213 nan 4.420 nan 0.000 0.215 554 P C 1.173 178.592 177.300 0.198 0.000 1.163 554 P CA 1.477 64.686 63.100 0.181 0.000 0.894 554 P CB 0.475 32.269 31.700 0.157 0.000 0.791 555 E N -0.559 119.792 120.200 0.251 0.000 2.058 555 E HA -0.137 4.214 4.350 0.001 0.000 0.194 555 E C 2.147 178.920 176.600 0.289 0.000 0.997 555 E CA 1.471 58.077 56.400 0.343 0.000 0.801 555 E CB -0.636 29.345 29.700 0.468 0.000 0.746 555 E HN 0.203 nan 8.360 nan 0.000 0.450 556 S N 0.563 116.339 115.700 0.127 0.000 2.356 556 S HA -0.144 4.327 4.470 0.001 0.000 0.223 556 S C 2.208 176.799 174.600 -0.015 0.000 1.032 556 S CA 1.610 59.752 58.200 -0.096 0.000 1.005 556 S CB -0.430 62.704 63.200 -0.110 0.000 0.867 556 S HN 0.296 nan 8.310 nan 0.000 0.449 557 T N 2.491 117.100 114.554 0.091 0.000 2.720 557 T HA -0.081 4.269 4.350 0.001 0.000 0.268 557 T C 2.129 176.818 174.700 -0.018 0.000 1.037 557 T CA 1.287 63.417 62.100 0.050 0.000 1.144 557 T CB -0.550 68.422 68.868 0.174 0.000 0.864 557 T HN 0.471 nan 8.240 nan 0.000 0.444 558 A N 0.876 123.728 122.820 0.053 0.000 1.933 558 A HA -0.024 4.297 4.320 0.001 0.000 0.218 558 A C 2.013 179.605 177.584 0.013 0.000 1.175 558 A CA 1.323 53.383 52.037 0.038 0.000 0.628 558 A CB -0.900 18.167 19.000 0.111 0.000 0.814 558 A HN 0.506 nan 8.150 nan 0.000 0.444 559 F N 0.603 120.484 119.950 -0.116 0.000 2.146 559 F HA -0.082 4.445 4.527 0.001 0.000 0.298 559 F C 1.918 177.557 175.800 -0.269 0.000 1.096 559 F CA 1.593 59.485 58.000 -0.180 0.000 1.275 559 F CB -0.181 38.514 39.000 -0.508 0.000 1.008 559 F HN 0.169 nan 8.300 nan 0.000 0.480 560 I N 0.295 120.761 120.570 -0.173 0.000 2.252 560 I HA -0.260 3.911 4.170 0.001 0.000 0.245 560 I C 2.681 178.504 176.117 -0.490 0.000 1.102 560 I CA 1.139 62.142 61.300 -0.494 0.000 1.385 560 I CB -0.988 36.669 38.000 -0.571 0.000 1.064 560 I HN 0.235 nan 8.210 nan 0.000 0.414 561 A N 0.197 122.812 122.820 -0.341 0.000 1.933 561 A HA -0.247 4.074 4.320 0.001 0.000 0.218 561 A C 2.328 179.743 177.584 -0.282 0.000 1.175 561 A CA 1.824 53.684 52.037 -0.296 0.000 0.628 561 A CB -0.533 18.321 19.000 -0.243 0.000 0.814 561 A HN 0.498 nan 8.150 nan 0.000 0.444 562 E N -0.784 119.248 120.200 -0.279 0.000 2.230 562 E HA 0.031 4.381 4.350 0.001 0.000 0.192 562 E C 0.556 176.961 176.600 -0.325 0.000 0.987 562 E CA -0.315 55.941 56.400 -0.240 0.000 0.841 562 E CB -0.042 29.571 29.700 -0.145 0.000 0.783 562 E HN 0.618 nan 8.360 nan 0.000 0.481 563 I N 2.559 122.816 120.570 -0.523 0.000 2.618 563 I HA 0.058 4.229 4.170 0.001 0.000 0.284 563 I C -2.264 173.497 176.117 -0.593 0.000 1.146 563 I CA -2.053 58.804 61.300 -0.737 0.000 1.425 563 I CB 0.788 38.247 38.000 -0.901 0.000 1.383 563 I HN -0.066 nan 8.210 nan 0.000 0.562 564 P HA 0.058 nan 4.420 nan 0.000 0.270 564 P C 0.080 176.915 177.300 -0.775 0.000 1.223 564 P CA -0.041 62.559 63.100 -0.833 0.000 0.785 564 P CB 0.570 31.528 31.700 -1.238 0.000 0.923 565 T N -2.864 111.357 114.554 -0.555 0.000 3.010 565 T HA 0.259 4.610 4.350 0.001 0.000 0.257 565 T C 0.284 174.799 174.700 -0.309 0.000 1.020 565 T CA 0.052 61.992 62.100 -0.267 0.000 0.938 565 T CB -0.077 68.744 68.868 -0.078 0.000 1.049 565 T HN 0.099 nan 8.240 nan 0.000 0.522 566 V N 1.292 120.841 119.914 -0.609 0.000 2.789 566 V HA 0.675 4.796 4.120 0.001 0.000 0.311 566 V C -1.530 174.129 176.094 -0.724 0.000 1.073 566 V CA -1.349 60.714 62.300 -0.396 0.000 0.921 566 V CB 1.976 33.750 31.823 -0.083 0.000 1.009 566 V HN 0.524 nan 8.190 nan 0.000 0.426 567 W N 1.119 122.365 121.300 -0.090 0.000 2.902 567 W HA 0.604 5.265 4.660 0.001 0.000 0.346 567 W C 0.562 176.982 176.519 -0.166 0.000 1.139 567 W CA -0.678 56.579 57.345 -0.148 0.000 1.139 567 W CB 1.021 30.371 29.460 -0.185 0.000 1.439 567 W HN 0.438 nan 8.180 nan 0.000 0.558 568 D N -0.051 120.391 120.400 0.071 0.000 2.338 568 D HA 0.004 4.645 4.640 0.001 0.000 0.208 568 D C -0.239 176.018 176.300 -0.071 0.000 0.997 568 D CA 0.920 54.896 54.000 -0.039 0.000 0.880 568 D CB 0.809 41.564 40.800 -0.075 0.000 0.980 568 D HN 0.486 nan 8.370 nan 0.000 0.509 569 E N -0.253 119.886 120.200 -0.102 0.000 2.363 569 E HA 0.383 4.734 4.350 0.001 0.000 0.281 569 E C -1.639 174.836 176.600 -0.209 0.000 0.953 569 E CA -0.413 55.900 56.400 -0.146 0.000 0.778 569 E CB 1.697 31.306 29.700 -0.151 0.000 1.220 569 E HN -0.264 nan 8.360 nan 0.000 0.431 570 S N 3.164 118.757 115.700 -0.179 0.000 2.547 570 S HA 0.617 5.087 4.470 0.001 0.000 0.281 570 S C -0.924 173.590 174.600 -0.143 0.000 1.118 570 S CA -0.558 57.500 58.200 -0.236 0.000 0.947 570 S CB 0.958 63.962 63.200 -0.326 0.000 1.053 570 S HN 0.426 nan 8.310 nan 0.000 0.482 571 I N 2.412 122.899 120.570 -0.138 0.000 2.500 571 I HA 0.285 4.456 4.170 0.001 0.000 0.286 571 I C -0.869 175.163 176.117 -0.141 0.000 1.063 571 I CA -0.804 60.433 61.300 -0.105 0.000 1.062 571 I CB 1.933 39.889 38.000 -0.074 0.000 1.223 571 I HN 0.276 nan 8.210 nan 0.000 0.435 572 V N 7.104 126.948 119.914 -0.116 0.000 2.387 572 V HA 0.117 4.238 4.120 0.001 0.000 0.260 572 V C 1.304 177.369 176.094 -0.048 0.000 1.054 572 V CA -0.034 62.201 62.300 -0.108 0.000 0.967 572 V CB 0.752 32.510 31.823 -0.110 0.000 1.036 572 V HN 0.696 nan 8.190 nan 0.000 0.481 573 L N 2.495 123.698 121.223 -0.033 0.000 2.083 573 L HA 0.037 4.378 4.340 0.001 0.000 0.209 573 L C 0.851 177.763 176.870 0.070 0.000 1.083 573 L CA 1.408 56.265 54.840 0.029 0.000 0.752 573 L CB -0.043 42.055 42.059 0.065 0.000 0.899 573 L HN 0.736 nan 8.230 nan 0.000 0.433 574 D N -2.580 117.871 120.400 0.085 0.000 2.755 574 D HA 0.536 5.177 4.640 0.001 0.000 0.277 574 D C -1.006 175.341 176.300 0.079 0.000 1.261 574 D CA 0.509 54.581 54.000 0.121 0.000 0.759 574 D CB 1.572 42.505 40.800 0.221 0.000 1.279 574 D HN 0.067 nan 8.370 nan 0.000 0.420 575 G N 0.768 109.519 108.800 -0.082 0.000 2.358 575 G HA2 0.482 4.443 3.960 0.001 0.000 0.301 575 G HA3 0.482 4.443 3.960 0.001 0.000 0.301 575 G C -1.796 172.770 174.900 -0.556 0.000 1.539 575 G CA -0.870 43.966 45.100 -0.440 0.000 0.893 575 G HN 0.393 nan 8.290 nan 0.000 0.636 576 K N 0.968 120.856 120.400 -0.852 0.000 2.507 576 K HA 0.410 4.731 4.320 0.001 0.000 0.251 576 K C 0.090 176.168 176.600 -0.870 0.000 0.943 576 K CA -0.934 54.939 56.287 -0.690 0.000 0.794 576 K CB 2.510 34.752 32.500 -0.430 0.000 1.188 576 K HN 0.649 nan 8.250 nan 0.000 0.428 577 M N 1.874 120.759 119.600 -1.191 0.000 2.290 577 M HA -0.055 4.425 4.480 0.001 0.000 0.356 577 M C 0.889 176.908 176.300 -0.469 0.000 1.448 577 M CA 2.118 56.710 55.300 -1.180 0.000 0.993 577 M CB -0.089 32.015 32.600 -0.827 0.000 1.934 577 M HN 1.018 nan 8.290 nan 0.000 0.461 578 G N 3.526 112.185 108.800 -0.235 0.000 2.168 578 G HA2 -0.278 3.683 3.960 0.001 0.000 0.263 578 G HA3 -0.278 3.683 3.960 0.001 0.000 0.263 578 G C 0.386 175.274 174.900 -0.019 0.000 0.977 578 G CA 0.797 45.857 45.100 -0.066 0.000 0.659 578 G HN 0.840 nan 8.290 nan 0.000 0.533 579 E N -2.249 117.928 120.200 -0.039 0.000 2.564 579 E HA 0.393 4.744 4.350 0.001 0.000 0.203 579 E C 0.444 177.171 176.600 0.213 0.000 0.867 579 E CA 0.607 57.052 56.400 0.075 0.000 1.250 579 E CB 0.826 30.579 29.700 0.088 0.000 1.215 579 E HN 0.965 nan 8.360 nan 0.000 0.566 580 Y N -1.042 119.289 120.300 0.051 0.000 2.810 580 Y HA 0.610 5.161 4.550 0.001 0.000 0.355 580 Y C -1.892 174.106 175.900 0.163 0.000 1.211 580 Y CA -1.324 56.819 58.100 0.073 0.000 1.112 580 Y CB 1.145 39.630 38.460 0.041 0.000 1.383 580 Y HN -0.093 nan 8.280 nan 0.000 0.458 581 I N 1.911 122.625 120.570 0.241 0.000 2.785 581 I HA 0.624 4.795 4.170 0.001 0.000 0.293 581 I C -2.014 174.161 176.117 0.098 0.000 1.446 581 I CA -0.875 60.491 61.300 0.109 0.000 1.028 581 I CB 2.183 40.150 38.000 -0.055 0.000 1.349 581 I HN 0.672 nan 8.210 nan 0.000 0.438 582 V N 5.181 125.147 119.914 0.087 0.000 2.525 582 V HA 0.621 4.742 4.120 0.001 0.000 0.299 582 V C -0.502 175.567 176.094 -0.042 0.000 1.034 582 V CA -0.351 61.975 62.300 0.045 0.000 0.863 582 V CB 1.960 33.904 31.823 0.201 0.000 0.999 582 V HN 0.774 nan 8.190 nan 0.000 0.423 583 T N 3.614 118.089 114.554 -0.131 0.000 2.886 583 T HA 0.775 5.126 4.350 0.001 0.000 0.292 583 T C -0.302 174.270 174.700 -0.214 0.000 1.012 583 T CA -0.404 61.585 62.100 -0.185 0.000 0.982 583 T CB 1.883 70.607 68.868 -0.241 0.000 1.018 583 T HN 0.936 nan 8.240 nan 0.000 0.451 584 A N 3.498 126.161 122.820 -0.261 0.000 2.318 584 A HA 0.858 5.179 4.320 0.001 0.000 0.324 584 A C -0.252 177.190 177.584 -0.235 0.000 1.170 584 A CA -0.834 51.026 52.037 -0.296 0.000 0.810 584 A CB 0.881 19.426 19.000 -0.760 0.000 1.198 584 A HN 0.791 nan 8.150 nan 0.000 0.484 585 R N 0.857 121.184 120.500 -0.288 0.000 2.744 585 R HA 0.600 4.940 4.340 0.001 0.000 0.279 585 R C -0.613 175.398 176.300 -0.481 0.000 0.977 585 R CA -0.803 54.929 56.100 -0.613 0.000 0.906 585 R CB 2.776 32.105 30.300 -1.619 0.000 1.197 585 R HN 0.813 nan 8.270 nan 0.000 0.463 586 R N 1.724 121.837 120.500 -0.644 0.000 2.562 586 R HA 0.355 4.696 4.340 0.001 0.000 0.298 586 R C -1.192 175.060 176.300 -0.079 0.000 0.961 586 R CA -0.780 54.849 56.100 -0.785 0.000 0.881 586 R CB 1.228 30.492 30.300 -1.726 0.000 1.159 586 R HN 0.342 nan 8.270 nan 0.000 0.450 587 K N 3.169 123.569 120.400 0.000 0.000 2.604 587 K HA 0.392 4.713 4.320 0.001 0.000 0.247 587 K C 0.023 176.588 176.600 -0.059 0.000 0.956 587 K CA 0.487 56.770 56.287 -0.007 0.000 0.896 587 K CB 1.251 33.711 32.500 -0.067 0.000 1.131 587 K HN 0.807 nan 8.250 nan 0.000 0.440 588 G N 3.564 112.317 108.800 -0.079 0.000 2.574 588 G HA2 -0.305 3.656 3.960 0.001 0.000 0.301 588 G HA3 -0.305 3.656 3.960 0.001 0.000 0.301 588 G C 0.103 174.980 174.900 -0.038 0.000 1.166 588 G CA 0.427 45.498 45.100 -0.047 0.000 0.971 588 G HN 0.619 nan 8.290 nan 0.000 0.542 589 D N 0.525 120.938 120.400 0.021 0.000 2.431 589 D HA 0.350 4.991 4.640 0.001 0.000 0.213 589 D C 0.417 176.825 176.300 0.180 0.000 1.130 589 D CA 0.333 54.398 54.000 0.109 0.000 0.834 589 D CB 1.153 42.032 40.800 0.132 0.000 0.985 589 D HN 0.295 nan 8.370 nan 0.000 0.504 590 V N 1.188 121.151 119.914 0.081 0.000 2.427 590 V HA 0.303 4.424 4.120 0.001 0.000 0.286 590 V C -0.512 175.630 176.094 0.081 0.000 1.034 590 V CA -0.687 61.693 62.300 0.132 0.000 0.893 590 V CB 1.549 33.447 31.823 0.126 0.000 0.982 590 V HN -0.007 nan 8.190 nan 0.000 0.452 591 W N 3.423 124.761 121.300 0.064 0.000 2.627 591 W HA 0.689 5.349 4.660 0.001 0.000 0.339 591 W C -0.759 175.725 176.519 -0.058 0.000 1.058 591 W CA -0.389 56.999 57.345 0.072 0.000 1.223 591 W CB 1.441 30.952 29.460 0.086 0.000 1.389 591 W HN 0.428 nan 8.180 nan 0.000 0.541 592 Y N 1.285 121.762 120.300 0.295 0.000 2.462 592 Y HA 0.657 5.208 4.550 0.001 0.000 0.346 592 Y C -0.379 175.570 175.900 0.080 0.000 0.976 592 Y CA -1.152 57.065 58.100 0.195 0.000 1.044 592 Y CB 1.930 40.492 38.460 0.169 0.000 1.230 592 Y HN -0.023 nan 8.280 nan 0.000 0.455 593 V N 1.964 122.039 119.914 0.269 0.000 2.638 593 V HA 0.869 4.989 4.120 0.001 0.000 0.306 593 V C -0.246 175.847 176.094 -0.002 0.000 1.052 593 V CA -0.779 61.596 62.300 0.125 0.000 0.885 593 V CB 1.882 33.865 31.823 0.267 0.000 0.999 593 V HN 0.906 nan 8.190 nan 0.000 0.424 594 G N 1.584 110.247 108.800 -0.229 0.000 2.591 594 G HA2 0.779 4.740 3.960 0.001 0.000 0.306 594 G HA3 0.779 4.740 3.960 0.001 0.000 0.306 594 G C -0.609 173.891 174.900 -0.666 0.000 1.334 594 G CA -0.411 44.404 45.100 -0.476 0.000 0.981 594 G HN 1.133 nan 8.290 nan 0.000 0.491 595 G N 0.048 108.249 108.800 -0.998 0.000 2.682 595 G HA2 0.733 4.694 3.960 0.001 0.000 0.300 595 G HA3 0.733 4.694 3.960 0.001 0.000 0.300 595 G C -0.795 173.909 174.900 -0.327 0.000 1.391 595 G CA -0.660 44.092 45.100 -0.581 0.000 0.990 595 G HN 1.221 nan 8.290 nan 0.000 0.501 596 I N -1.409 119.079 120.570 -0.136 0.000 2.969 596 I HA 0.891 5.062 4.170 0.001 0.000 0.307 596 I C -0.660 175.465 176.117 0.012 0.000 1.149 596 I CA -0.900 60.339 61.300 -0.101 0.000 1.008 596 I CB 2.454 40.341 38.000 -0.188 0.000 1.232 596 I HN 0.539 nan 8.210 nan 0.000 0.435 597 T N 0.796 115.339 114.554 -0.018 0.000 2.888 597 T HA 0.460 4.811 4.350 0.001 0.000 0.288 597 T C -0.728 173.938 174.700 -0.057 0.000 1.063 597 T CA -0.297 61.818 62.100 0.026 0.000 1.010 597 T CB 1.597 70.466 68.868 0.001 0.000 1.214 597 T HN 0.901 nan 8.240 nan 0.000 0.533 598 D N 0.058 120.447 120.400 -0.018 0.000 2.399 598 D HA 0.121 4.762 4.640 0.001 0.000 0.288 598 D C 0.951 177.179 176.300 -0.120 0.000 1.197 598 D CA -0.311 53.633 54.000 -0.094 0.000 1.081 598 D CB -0.287 40.534 40.800 0.034 0.000 1.139 598 D HN 0.760 nan 8.370 nan 0.000 0.554 599 W N -0.203 121.141 121.300 0.074 0.000 2.961 599 W HA 0.177 4.837 4.660 0.001 0.000 0.240 599 W C 0.383 176.938 176.519 0.060 0.000 1.305 599 W CA -0.125 57.262 57.345 0.070 0.000 1.465 599 W CB 0.216 29.719 29.460 0.072 0.000 1.135 599 W HN -0.055 nan 8.180 nan 0.000 0.688 600 S N 0.453 116.289 115.700 0.227 0.000 2.489 600 S HA 0.618 5.089 4.470 0.001 0.000 0.291 600 S C 0.241 174.892 174.600 0.085 0.000 1.151 600 S CA -0.963 57.328 58.200 0.152 0.000 1.082 600 S CB 1.175 64.444 63.200 0.114 0.000 1.019 600 S HN 0.070 nan 8.310 nan 0.000 0.492 601 A N 3.669 126.533 122.820 0.073 0.000 2.407 601 A HA 0.675 4.996 4.320 0.001 0.000 0.248 601 A C 0.304 177.861 177.584 -0.045 0.000 1.082 601 A CA -0.413 51.618 52.037 -0.008 0.000 0.785 601 A CB 0.223 19.265 19.000 0.071 0.000 1.020 601 A HN 0.907 nan 8.150 nan 0.000 0.489 602 R N 0.994 121.396 120.500 -0.164 0.000 2.680 602 R HA 0.563 4.904 4.340 0.001 0.000 0.269 602 R C -2.093 174.116 176.300 -0.152 0.000 1.026 602 R CA -0.958 55.065 56.100 -0.129 0.000 0.889 602 R CB 1.283 31.482 30.300 -0.168 0.000 1.241 602 R HN 0.470 nan 8.270 nan 0.000 0.463 603 D N 1.624 121.979 120.400 -0.075 0.000 2.256 603 D HA 0.425 5.066 4.640 0.001 0.000 0.240 603 D C -0.538 175.698 176.300 -0.106 0.000 1.062 603 D CA -0.277 53.696 54.000 -0.046 0.000 0.832 603 D CB 1.919 42.728 40.800 0.015 0.000 1.135 603 D HN 0.223 nan 8.370 nan 0.000 0.484 604 I N 1.136 121.641 120.570 -0.108 0.000 2.603 604 I HA 0.209 4.380 4.170 0.001 0.000 0.300 604 I C 0.183 176.243 176.117 -0.095 0.000 1.017 604 I CA -0.681 60.561 61.300 -0.097 0.000 1.098 604 I CB 2.048 40.033 38.000 -0.024 0.000 1.279 604 I HN 0.199 nan 8.210 nan 0.000 0.437 605 E N 4.204 124.374 120.200 -0.050 0.000 2.176 605 E HA 0.553 4.904 4.350 0.001 0.000 0.267 605 E C -1.704 174.896 176.600 -0.001 0.000 0.893 605 E CA -0.601 55.771 56.400 -0.047 0.000 0.761 605 E CB 1.637 31.317 29.700 -0.035 0.000 1.133 605 E HN 0.361 nan 8.360 nan 0.000 0.409 606 V N 4.733 124.642 119.914 -0.009 0.000 2.318 606 V HA 0.090 4.211 4.120 0.001 0.000 0.271 606 V C -0.184 175.928 176.094 0.028 0.000 1.030 606 V CA -0.658 61.683 62.300 0.070 0.000 0.844 606 V CB 1.099 32.990 31.823 0.113 0.000 1.015 606 V HN 0.661 nan 8.190 nan 0.000 0.460 607 D N 4.056 124.480 120.400 0.039 0.000 2.325 607 D HA 0.114 4.755 4.640 0.001 0.000 0.251 607 D C 0.557 176.768 176.300 -0.148 0.000 1.196 607 D CA -0.316 53.660 54.000 -0.040 0.000 0.866 607 D CB 1.167 41.961 40.800 -0.010 0.000 1.101 607 D HN 0.565 nan 8.370 nan 0.000 0.476 608 C N 3.152 122.236 119.300 -0.360 0.000 2.377 608 C HA 0.052 4.512 4.460 0.001 0.000 0.341 608 C C 2.210 176.630 174.990 -0.950 0.000 1.304 608 C CA 0.099 58.565 59.018 -0.920 0.000 1.690 608 C CB -2.134 25.204 27.740 -0.669 0.000 1.808 608 C HN 0.681 nan 8.230 nan 0.000 0.592 609 S N 1.132 116.512 115.700 -0.533 0.000 2.500 609 S HA -0.171 4.300 4.470 0.001 0.000 0.239 609 S C 1.237 175.634 174.600 -0.339 0.000 0.989 609 S CA 0.887 58.887 58.200 -0.332 0.000 0.951 609 S CB -0.761 62.353 63.200 -0.143 0.000 0.759 609 S HN 0.725 nan 8.310 nan 0.000 0.523 610 F N 1.060 120.820 119.950 -0.316 0.000 2.661 610 F HA 0.453 4.981 4.527 0.001 0.000 0.298 610 F C 0.617 176.065 175.800 -0.588 0.000 1.137 610 F CA -1.002 56.731 58.000 -0.444 0.000 1.454 610 F CB -0.829 37.773 39.000 -0.662 0.000 1.103 610 F HN 0.072 nan 8.300 nan 0.000 0.577 611 L N 0.695 121.453 121.223 -0.776 0.000 2.475 611 L HA 0.432 4.773 4.340 0.001 0.000 0.253 611 L C 1.427 178.282 176.870 -0.025 0.000 1.198 611 L CA -0.233 54.302 54.840 -0.507 0.000 0.814 611 L CB 0.088 41.745 42.059 -0.670 0.000 1.134 611 L HN 0.268 nan 8.230 nan 0.000 0.478 612 G N -0.585 108.386 108.800 0.284 0.000 2.494 612 G HA2 0.051 4.012 3.960 0.001 0.000 0.270 612 G HA3 0.051 4.012 3.960 0.001 0.000 0.270 612 G C 0.192 175.223 174.900 0.219 0.000 1.423 612 G CA -0.262 45.010 45.100 0.288 0.000 1.055 612 G HN 0.724 nan 8.290 nan 0.000 0.536 613 D N -0.724 119.749 120.400 0.123 0.000 2.346 613 D HA 0.027 4.667 4.640 0.001 0.000 0.206 613 D C 1.297 177.600 176.300 0.005 0.000 1.001 613 D CA 0.340 54.375 54.000 0.059 0.000 0.871 613 D CB 0.294 41.112 40.800 0.031 0.000 0.943 613 D HN 0.524 nan 8.370 nan 0.000 0.518 614 K N 0.569 120.917 120.400 -0.086 0.000 2.143 614 K HA 0.204 4.525 4.320 0.001 0.000 0.239 614 K C 0.308 176.751 176.600 -0.261 0.000 1.048 614 K CA -0.444 55.718 56.287 -0.207 0.000 0.867 614 K CB 0.612 32.927 32.500 -0.308 0.000 1.088 614 K HN -0.256 nan 8.250 nan 0.000 0.510 615 S N 0.271 115.843 115.700 -0.213 0.000 2.475 615 S HA 0.271 4.742 4.470 0.001 0.000 0.281 615 S C -1.365 173.160 174.600 -0.125 0.000 1.198 615 S CA -0.691 57.451 58.200 -0.096 0.000 1.063 615 S CB -0.163 63.021 63.200 -0.027 0.000 0.972 615 S HN 0.433 nan 8.310 nan 0.000 0.486 616 Y N 2.534 122.862 120.300 0.047 0.000 2.528 616 Y HA 0.456 5.007 4.550 0.001 0.000 0.335 616 Y C 0.102 176.026 175.900 0.040 0.000 1.093 616 Y CA -0.847 57.309 58.100 0.094 0.000 1.134 616 Y CB 1.221 39.709 38.460 0.047 0.000 1.253 616 Y HN 0.644 nan 8.280 nan 0.000 0.478 617 H N 0.573 119.722 119.070 0.131 0.000 2.511 617 H HA 0.672 5.229 4.556 0.001 0.000 0.328 617 H C -0.733 174.545 175.328 -0.083 0.000 1.044 617 H CA -0.713 55.335 56.048 -0.000 0.000 1.212 617 H CB 1.168 30.931 29.762 0.000 0.000 1.428 617 H HN 0.756 nan 8.280 nan 0.000 0.483 618 A N 2.810 125.491 122.820 -0.232 0.000 2.312 618 A HA 0.667 4.988 4.320 0.001 0.000 0.328 618 A C -0.347 176.990 177.584 -0.412 0.000 1.158 618 A CA -0.631 51.170 52.037 -0.393 0.000 0.821 618 A CB 0.726 19.290 19.000 -0.726 0.000 1.170 618 A HN 0.663 nan 8.150 nan 0.000 0.490 619 T N 2.353 116.808 114.554 -0.165 0.000 2.847 619 T HA 0.487 4.837 4.350 0.001 0.000 0.291 619 T C -1.002 173.757 174.700 0.099 0.000 0.998 619 T CA -0.151 61.934 62.100 -0.023 0.000 0.967 619 T CB 0.726 69.685 68.868 0.150 0.000 0.954 619 T HN 0.614 nan 8.240 nan 0.000 0.441 620 L N 3.862 125.122 121.223 0.062 0.000 2.341 620 L HA 0.768 5.109 4.340 0.001 0.000 0.278 620 L C -1.765 175.144 176.870 0.064 0.000 1.005 620 L CA -0.669 54.291 54.840 0.199 0.000 0.818 620 L CB 0.734 42.979 42.059 0.310 0.000 1.259 620 L HN 0.482 nan 8.230 nan 0.000 0.418 621 F N 4.881 124.904 119.950 0.121 0.000 2.388 621 F HA 0.558 5.086 4.527 0.001 0.000 0.358 621 F C 0.121 176.015 175.800 0.157 0.000 1.122 621 F CA -0.411 57.643 58.000 0.089 0.000 1.056 621 F CB 1.224 40.133 39.000 -0.151 0.000 1.155 621 F HN 0.481 nan 8.300 nan 0.000 0.461 622 K N 1.388 121.961 120.400 0.287 0.000 2.395 622 K HA 0.527 4.848 4.320 0.001 0.000 0.247 622 K C -1.276 175.470 176.600 0.243 0.000 0.973 622 K CA -1.103 55.333 56.287 0.248 0.000 0.828 622 K CB 1.712 34.305 32.500 0.155 0.000 1.272 622 K HN 0.203 nan 8.250 nan 0.000 0.439 623 D N 1.275 121.803 120.400 0.213 0.000 2.443 623 D HA 0.079 4.720 4.640 0.001 0.000 0.239 623 D C 0.419 176.831 176.300 0.186 0.000 1.136 623 D CA 0.450 54.574 54.000 0.206 0.000 0.879 623 D CB 0.952 41.859 40.800 0.179 0.000 1.195 623 D HN 0.701 nan 8.370 nan 0.000 0.443 624 G N -0.107 108.794 108.800 0.168 0.000 2.606 624 G HA2 0.253 4.214 3.960 0.001 0.000 0.252 624 G HA3 0.253 4.214 3.960 0.001 0.000 0.252 624 G C 1.361 176.345 174.900 0.141 0.000 1.206 624 G CA -0.472 44.693 45.100 0.108 0.000 0.861 624 G HN 0.367 nan 8.290 nan 0.000 0.561 625 V N -1.322 118.656 119.914 0.107 0.000 3.186 625 V HA -0.045 4.076 4.120 0.001 0.000 0.270 625 V C 1.157 177.384 176.094 0.222 0.000 1.149 625 V CA 1.754 64.134 62.300 0.133 0.000 1.160 625 V CB -0.791 31.073 31.823 0.067 0.000 0.758 625 V HN 0.568 nan 8.190 nan 0.000 0.516 626 N N 0.121 118.914 118.700 0.155 0.000 2.235 626 N HA 0.555 5.296 4.740 0.001 0.000 0.231 626 N C 1.499 177.009 175.510 -0.000 0.000 1.177 626 N CA 0.566 53.646 53.050 0.051 0.000 0.874 626 N CB 0.667 39.141 38.487 -0.023 0.000 1.097 626 N HN 0.447 nan 8.380 nan 0.000 0.518 627 A N 0.962 123.880 122.820 0.162 0.000 2.131 627 A HA -0.221 4.100 4.320 0.001 0.000 0.220 627 A C 1.721 179.413 177.584 0.180 0.000 1.158 627 A CA 1.217 53.353 52.037 0.165 0.000 0.665 627 A CB -0.744 18.378 19.000 0.203 0.000 0.795 627 A HN 0.567 nan 8.150 nan 0.000 0.460 628 H N -1.467 117.689 119.070 0.143 0.000 2.547 628 H HA 0.135 4.692 4.556 0.001 0.000 0.272 628 H C 1.558 176.964 175.328 0.131 0.000 0.989 628 H CA 1.142 57.283 56.048 0.154 0.000 1.214 628 H CB -0.164 29.685 29.762 0.145 0.000 1.389 628 H HN 0.558 nan 8.280 nan 0.000 0.577 629 R N 0.201 120.501 120.500 -0.334 0.000 2.342 629 R HA 0.441 4.782 4.340 0.001 0.000 0.204 629 R C 0.155 176.419 176.300 -0.060 0.000 0.882 629 R CA 0.564 56.545 56.100 -0.199 0.000 1.041 629 R CB 1.097 31.216 30.300 -0.302 0.000 1.188 629 R HN 0.209 nan 8.270 nan 0.000 0.598 630 A N 0.591 123.389 122.820 -0.038 0.000 2.545 630 A HA 0.488 4.809 4.320 0.001 0.000 0.300 630 A C 0.780 178.411 177.584 0.079 0.000 1.252 630 A CA -0.478 51.576 52.037 0.028 0.000 0.753 630 A CB 1.114 20.122 19.000 0.013 0.000 1.144 630 A HN 0.238 nan 8.150 nan 0.000 0.457 631 G N 1.951 110.821 108.800 0.116 0.000 2.485 631 G HA2 -0.276 3.685 3.960 0.001 0.000 0.221 631 G HA3 -0.276 3.685 3.960 0.001 0.000 0.221 631 G C 1.512 176.504 174.900 0.153 0.000 1.115 631 G CA 1.151 46.340 45.100 0.149 0.000 0.751 631 G HN 0.854 nan 8.290 nan 0.000 0.567 632 R N 0.439 121.028 120.500 0.147 0.000 2.189 632 R HA -0.011 4.330 4.340 0.001 0.000 0.223 632 R C 0.140 176.590 176.300 0.250 0.000 1.092 632 R CA 0.717 56.927 56.100 0.183 0.000 0.989 632 R CB -0.543 29.850 30.300 0.156 0.000 0.876 632 R HN 0.195 nan 8.270 nan 0.000 0.457 633 D N 1.297 121.802 120.400 0.176 0.000 2.451 633 D HA -0.040 4.601 4.640 0.001 0.000 0.254 633 D C -0.727 175.702 176.300 0.216 0.000 1.204 633 D CA 0.389 54.472 54.000 0.138 0.000 0.896 633 D CB 0.158 41.007 40.800 0.081 0.000 1.136 633 D HN 0.319 nan 8.370 nan 0.000 0.499 634 Y N 0.586 120.946 120.300 0.100 0.000 2.655 634 Y HA 0.682 5.232 4.550 0.001 0.000 0.336 634 Y C -1.376 174.574 175.900 0.084 0.000 1.154 634 Y CA -1.488 56.681 58.100 0.115 0.000 1.055 634 Y CB 1.159 39.718 38.460 0.165 0.000 1.295 634 Y HN 0.112 nan 8.280 nan 0.000 0.465 635 K N 1.276 121.727 120.400 0.085 0.000 2.468 635 K HA 0.616 4.937 4.320 0.001 0.000 0.252 635 K C -2.125 174.498 176.600 0.038 0.000 0.932 635 K CA -0.440 55.812 56.287 -0.060 0.000 0.794 635 K CB 1.969 34.454 32.500 -0.026 0.000 1.241 635 K HN 1.043 nan 8.250 nan 0.000 0.428 636 C N 3.937 123.188 119.300 -0.082 0.000 2.351 636 C HA 0.665 5.126 4.460 0.001 0.000 0.326 636 C C -1.097 173.809 174.990 -0.140 0.000 1.272 636 C CA -0.095 58.745 59.018 -0.297 0.000 1.650 636 C CB -0.178 27.301 27.740 -0.434 0.000 2.257 636 C HN 0.923 nan 8.230 nan 0.000 0.505 637 E N 3.039 123.188 120.200 -0.085 0.000 2.367 637 E HA 0.514 4.865 4.350 0.001 0.000 0.273 637 E C -1.182 175.478 176.600 0.100 0.000 0.903 637 E CA -0.486 55.955 56.400 0.069 0.000 0.764 637 E CB 2.385 32.191 29.700 0.178 0.000 1.252 637 E HN 0.618 nan 8.360 nan 0.000 0.446 638 S N 1.494 117.275 115.700 0.135 0.000 2.521 638 S HA 0.782 5.252 4.470 0.001 0.000 0.295 638 S C -1.218 173.478 174.600 0.159 0.000 1.098 638 S CA -0.770 57.444 58.200 0.023 0.000 0.999 638 S CB 0.538 63.754 63.200 0.028 0.000 1.034 638 S HN 0.483 nan 8.310 nan 0.000 0.483 639 F N 0.086 120.040 119.950 0.006 0.000 2.744 639 F HA 0.691 5.218 4.527 0.001 0.000 0.311 639 F C -3.256 172.501 175.800 -0.072 0.000 1.144 639 F CA -2.149 55.831 58.000 -0.034 0.000 0.938 639 F CB 0.482 39.462 39.000 -0.034 0.000 1.292 639 F HN 0.282 nan 8.300 nan 0.000 0.444 640 P HA 0.540 nan 4.420 nan 0.000 0.278 640 P C -1.102 176.250 177.300 0.087 0.000 1.238 640 P CA -0.070 62.965 63.100 -0.107 0.000 0.794 640 P CB 2.708 34.318 31.700 -0.151 0.000 0.955 641 I N 0.708 121.306 120.570 0.047 0.000 2.913 641 I HA 0.417 4.588 4.170 0.001 0.000 0.302 641 I C -1.004 175.171 176.117 0.096 0.000 1.246 641 I CA -0.952 60.405 61.300 0.095 0.000 1.010 641 I CB 2.564 40.618 38.000 0.090 0.000 1.259 641 I HN 0.310 nan 8.210 nan 0.000 0.434 642 K N 3.724 124.152 120.400 0.046 0.000 2.439 642 K HA 0.367 4.688 4.320 0.001 0.000 0.260 642 K C 0.026 176.590 176.600 -0.060 0.000 1.032 642 K CA -0.947 55.377 56.287 0.061 0.000 0.882 642 K CB 1.904 34.429 32.500 0.041 0.000 1.420 642 K HN 0.426 nan 8.250 nan 0.000 0.455 643 K N 1.179 121.546 120.400 -0.056 0.000 2.173 643 K HA -0.225 4.095 4.320 0.001 0.000 0.207 643 K C 0.938 177.432 176.600 -0.178 0.000 1.046 643 K CA 2.533 58.720 56.287 -0.166 0.000 0.929 643 K CB -0.056 32.393 32.500 -0.085 0.000 0.720 643 K HN 0.628 nan 8.250 nan 0.000 0.453 644 D N -0.658 119.678 120.400 -0.106 0.000 2.349 644 D HA -0.003 4.638 4.640 0.001 0.000 0.224 644 D C 0.722 176.964 176.300 -0.096 0.000 1.029 644 D CA 0.107 54.051 54.000 -0.093 0.000 0.879 644 D CB -0.464 40.302 40.800 -0.057 0.000 0.906 644 D HN 0.190 nan 8.370 nan 0.000 0.528 645 G N 0.399 109.134 108.800 -0.108 0.000 2.484 645 G HA2 0.214 4.175 3.960 0.001 0.000 0.235 645 G HA3 0.214 4.175 3.960 0.001 0.000 0.235 645 G C 0.045 174.887 174.900 -0.098 0.000 1.282 645 G CA -0.404 44.644 45.100 -0.086 0.000 0.857 645 G HN -0.024 nan 8.290 nan 0.000 0.571 646 K N 2.126 122.482 120.400 -0.074 0.000 2.592 646 K HA 0.168 4.489 4.320 0.001 0.000 0.212 646 K C -0.831 175.725 176.600 -0.073 0.000 1.013 646 K CA -0.878 55.367 56.287 -0.070 0.000 1.034 646 K CB 1.683 34.145 32.500 -0.063 0.000 1.292 646 K HN 0.322 nan 8.250 nan 0.000 0.521 647 L N 3.006 124.190 121.223 -0.064 0.000 2.369 647 L HA 0.183 4.523 4.340 0.001 0.000 0.279 647 L C -0.113 176.680 176.870 -0.129 0.000 1.108 647 L CA 0.442 55.230 54.840 -0.087 0.000 0.852 647 L CB 0.262 42.304 42.059 -0.029 0.000 1.169 647 L HN 0.133 nan 8.230 nan 0.000 0.452 648 K N 4.505 124.818 120.400 -0.144 0.000 2.227 648 K HA 0.575 4.896 4.320 0.001 0.000 0.280 648 K C -1.256 175.239 176.600 -0.175 0.000 1.041 648 K CA -0.394 55.809 56.287 -0.139 0.000 0.905 648 K CB 1.653 34.088 32.500 -0.108 0.000 1.068 648 K HN 0.466 nan 8.250 nan 0.000 0.470 649 V N 2.587 122.378 119.914 -0.204 0.000 2.808 649 V HA 0.155 4.276 4.120 0.001 0.000 0.308 649 V C -0.832 175.201 176.094 -0.102 0.000 1.099 649 V CA -1.047 61.119 62.300 -0.223 0.000 0.920 649 V CB 1.793 33.283 31.823 -0.555 0.000 1.014 649 V HN 0.772 nan 8.190 nan 0.000 0.425 650 H N 4.191 123.204 119.070 -0.096 0.000 2.517 650 H HA 0.733 5.290 4.556 0.001 0.000 0.317 650 H C -1.291 174.047 175.328 0.017 0.000 1.080 650 H CA -0.423 55.600 56.048 -0.041 0.000 1.301 650 H CB 1.291 31.035 29.762 -0.030 0.000 1.425 650 H HN 0.443 nan 8.280 nan 0.000 0.471 651 L N 4.965 125.858 121.223 -0.549 0.000 2.287 651 L HA 0.534 4.875 4.340 0.001 0.000 0.287 651 L C 0.384 176.985 176.870 -0.449 0.000 1.022 651 L CA -0.325 54.331 54.840 -0.307 0.000 0.814 651 L CB 1.188 43.185 42.059 -0.103 0.000 1.217 651 L HN 0.853 nan 8.230 nan 0.000 0.420 652 A N 5.183 127.911 122.820 -0.153 0.000 2.310 652 A HA 0.643 4.964 4.320 0.001 0.000 0.260 652 A C -2.294 175.326 177.584 0.059 0.000 1.112 652 A CA -1.126 50.928 52.037 0.028 0.000 0.804 652 A CB -0.491 18.623 19.000 0.189 0.000 1.081 652 A HN 0.555 nan 8.150 nan 0.000 0.499 653 P HA 0.233 nan 4.420 nan 0.000 0.264 653 P C 0.818 178.217 177.300 0.166 0.000 1.193 653 P CA 1.906 65.157 63.100 0.251 0.000 0.763 653 P CB 0.485 32.440 31.700 0.425 0.000 0.810 654 G N 2.163 110.881 108.800 -0.137 0.000 2.203 654 G HA2 -0.188 3.772 3.960 0.001 0.000 0.263 654 G HA3 -0.188 3.772 3.960 0.001 0.000 0.263 654 G C 0.646 175.421 174.900 -0.208 0.000 1.012 654 G CA 0.178 44.968 45.100 -0.516 0.000 0.749 654 G HN 0.845 nan 8.290 nan 0.000 0.512 655 G N -1.494 107.256 108.800 -0.084 0.000 2.736 655 G HA2 0.996 4.957 3.960 0.001 0.000 0.229 655 G HA3 0.996 4.957 3.960 0.001 0.000 0.229 655 G C 0.434 175.308 174.900 -0.043 0.000 1.380 655 G CA 0.265 45.348 45.100 -0.028 0.000 1.040 655 G HN 1.686 nan 8.290 nan 0.000 0.568 656 G N -2.140 106.669 108.800 0.015 0.000 2.323 656 G HA2 0.577 4.538 3.960 0.001 0.000 0.291 656 G HA3 0.577 4.538 3.960 0.001 0.000 0.291 656 G C -1.524 173.469 174.900 0.154 0.000 1.278 656 G CA -0.063 45.054 45.100 0.029 0.000 0.860 656 G HN 1.561 nan 8.290 nan 0.000 0.504 657 F N -1.633 118.308 119.950 -0.014 0.000 2.645 657 F HA 0.935 5.462 4.527 0.001 0.000 0.310 657 F C -0.420 175.388 175.800 0.012 0.000 1.102 657 F CA -1.150 56.864 58.000 0.024 0.000 0.952 657 F CB 1.669 40.704 39.000 0.057 0.000 1.326 657 F HN 1.331 nan 8.300 nan 0.000 0.456 658 A N 2.703 125.590 122.820 0.112 0.000 2.359 658 A HA 0.798 5.119 4.320 0.001 0.000 0.303 658 A C -2.295 175.485 177.584 0.327 0.000 1.066 658 A CA -0.679 51.359 52.037 0.002 0.000 0.730 658 A CB 1.534 20.240 19.000 -0.490 0.000 1.211 658 A HN 1.117 nan 8.150 nan 0.000 0.439 659 L N 1.667 123.155 121.223 0.442 0.000 2.386 659 L HA 0.695 5.035 4.340 0.001 0.000 0.271 659 L C -0.460 176.627 176.870 0.361 0.000 0.993 659 L CA -0.310 54.797 54.840 0.444 0.000 0.819 659 L CB 1.846 44.174 42.059 0.448 0.000 1.294 659 L HN 0.679 nan 8.230 nan 0.000 0.414 660 K N 5.802 126.335 120.400 0.221 0.000 2.323 660 K HA 0.625 4.946 4.320 0.001 0.000 0.259 660 K C -1.680 174.864 176.600 -0.094 0.000 0.947 660 K CA -0.511 55.686 56.287 -0.150 0.000 0.819 660 K CB 1.094 33.538 32.500 -0.093 0.000 1.109 660 K HN 0.730 nan 8.250 nan 0.000 0.429 661 I N 4.580 125.082 120.570 -0.114 0.000 2.448 661 I HA 0.315 4.486 4.170 0.001 0.000 0.281 661 I C -0.336 175.840 176.117 0.098 0.000 1.027 661 I CA -0.642 60.649 61.300 -0.015 0.000 1.111 661 I CB 1.713 39.678 38.000 -0.058 0.000 1.236 661 I HN 0.561 nan 8.210 nan 0.000 0.452 662 K N 0.000 120.515 120.400 0.192 0.000 2.780 662 K HA 0.000 4.321 4.320 0.001 0.000 0.191 662 K CA 0.000 56.449 56.287 0.270 0.000 0.838 662 K CB 0.000 32.564 32.500 0.106 0.000 1.064 662 K HN 0.000 nan 8.250 nan 0.000 0.543