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_B 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 0.000 176.124 176.300 -0.294 0.000 0.893 22 R CA 0.000 56.067 56.100 -0.055 0.000 0.921 22 R CB 0.000 30.246 30.300 -0.090 0.000 0.687 23 H N 2.432 121.463 119.070 -0.065 0.000 2.851 23 H HA 0.666 5.218 4.556 -0.007 0.000 0.372 23 H C -0.791 174.476 175.328 -0.101 0.000 1.158 23 H CA -0.741 55.258 56.048 -0.080 0.000 1.159 23 H CB 2.224 31.930 29.762 -0.093 0.000 1.757 23 H HN 0.473 nan 8.280 nan 0.000 0.546 24 M N 1.617 121.228 119.600 0.018 0.000 2.518 24 M HA 0.539 5.015 4.480 -0.007 0.000 0.300 24 M C -1.548 174.746 176.300 -0.010 0.000 1.175 24 M CA -0.778 54.511 55.300 -0.019 0.000 0.890 24 M CB 2.324 34.910 32.600 -0.024 0.000 1.710 24 M HN 0.636 nan 8.290 nan 0.000 0.453 25 E N 3.138 123.330 120.200 -0.014 0.000 2.275 25 E HA 0.622 4.968 4.350 -0.007 0.000 0.270 25 E C -2.235 174.377 176.600 0.020 0.000 0.882 25 E CA -0.361 56.046 56.400 0.011 0.000 0.758 25 E CB 1.959 31.679 29.700 0.033 0.000 1.195 25 E HN 0.743 nan 8.360 nan 0.000 0.419 26 L N 2.321 123.552 121.223 0.014 0.000 2.333 26 L HA 0.588 4.924 4.340 -0.007 0.000 0.269 26 L C 0.158 177.027 176.870 -0.002 0.000 1.010 26 L CA -1.109 53.738 54.840 0.012 0.000 0.818 26 L CB 2.015 44.076 42.059 0.002 0.000 1.306 26 L HN 0.702 nan 8.230 nan 0.000 0.430 27 S N 0.821 116.524 115.700 0.004 0.000 2.600 27 S HA 0.237 4.702 4.470 -0.007 0.000 0.265 27 S C -2.038 172.520 174.600 -0.070 0.000 1.325 27 S CA -1.004 57.180 58.200 -0.026 0.000 1.002 27 S CB 0.857 64.068 63.200 0.018 0.000 0.921 27 S HN 0.409 nan 8.310 nan 0.000 0.554 28 P HA -0.153 nan 4.420 nan 0.000 0.216 28 P C 0.745 178.023 177.300 -0.036 0.000 1.150 28 P CA 1.647 64.645 63.100 -0.170 0.000 0.843 28 P CB -0.174 31.235 31.700 -0.485 0.000 0.787 29 D N -2.062 118.334 120.400 -0.008 0.000 2.336 29 D HA 0.073 4.709 4.640 -0.007 0.000 0.229 29 D C 1.390 177.702 176.300 0.020 0.000 1.061 29 D CA 0.545 54.561 54.000 0.026 0.000 0.875 29 D CB -1.254 39.573 40.800 0.045 0.000 0.904 29 D HN 0.184 nan 8.370 nan 0.000 0.525 30 G N 0.719 109.525 108.800 0.009 0.000 2.186 30 G HA2 -0.387 3.569 3.960 -0.007 0.000 0.266 30 G HA3 -0.387 3.569 3.960 -0.007 0.000 0.266 30 G C 1.001 175.913 174.900 0.021 0.000 0.982 30 G CA 0.560 45.667 45.100 0.012 0.000 0.670 30 G HN 0.435 nan 8.290 nan 0.000 0.533 31 N N -0.911 117.806 118.700 0.028 0.000 2.325 31 N HA 0.184 4.920 4.740 -0.007 0.000 0.182 31 N C 0.257 175.793 175.510 0.043 0.000 1.088 31 N CA 0.365 53.435 53.050 0.034 0.000 0.879 31 N CB 0.591 39.099 38.487 0.036 0.000 0.983 31 N HN 0.486 nan 8.380 nan 0.000 0.471 32 L N 1.464 122.716 121.223 0.049 0.000 2.376 32 L HA 0.363 4.699 4.340 -0.007 0.000 0.275 32 L C -0.825 176.082 176.870 0.063 0.000 0.987 32 L CA -0.535 54.344 54.840 0.065 0.000 0.828 32 L CB 1.169 43.278 42.059 0.084 0.000 1.249 32 L HN 0.022 nan 8.230 nan 0.000 0.409 33 K N 1.407 121.845 120.400 0.064 0.000 2.482 33 K HA 0.838 5.154 4.320 -0.007 0.000 0.257 33 K C -1.153 175.487 176.600 0.068 0.000 0.969 33 K CA -0.774 55.546 56.287 0.055 0.000 0.842 33 K CB 2.092 34.610 32.500 0.031 0.000 1.359 33 K HN 0.361 nan 8.250 nan 0.000 0.441 34 T N 0.484 115.071 114.554 0.055 0.000 2.886 34 T HA 0.405 4.751 4.350 -0.007 0.000 0.292 34 T C -1.231 173.456 174.700 -0.021 0.000 1.012 34 T CA -0.454 61.679 62.100 0.055 0.000 0.982 34 T CB 1.533 70.469 68.868 0.112 0.000 1.018 34 T HN 0.575 nan 8.240 nan 0.000 0.451 35 T N 5.606 120.145 114.554 -0.025 0.000 2.772 35 T HA 0.539 4.885 4.350 -0.007 0.000 0.288 35 T C -0.153 174.503 174.700 -0.073 0.000 0.994 35 T CA -0.339 61.732 62.100 -0.048 0.000 0.951 35 T CB 0.160 69.010 68.868 -0.030 0.000 0.933 35 T HN 0.520 nan 8.240 nan 0.000 0.447 36 I N 3.299 123.800 120.570 -0.115 0.000 2.321 36 I HA 0.307 4.473 4.170 -0.007 0.000 0.291 36 I C 0.407 176.528 176.117 0.007 0.000 0.998 36 I CA -0.392 60.827 61.300 -0.135 0.000 1.227 36 I CB 1.400 39.188 38.000 -0.353 0.000 1.368 36 I HN 0.472 nan 8.210 nan 0.000 0.466 37 T N 7.200 121.769 114.554 0.025 0.000 2.779 37 T HA 0.557 4.903 4.350 -0.007 0.000 0.280 37 T C -0.002 174.753 174.700 0.090 0.000 0.987 37 T CA -0.313 61.823 62.100 0.060 0.000 0.966 37 T CB 0.903 69.787 68.868 0.028 0.000 0.933 37 T HN 0.277 nan 8.240 nan 0.000 0.442 38 I N 3.509 124.157 120.570 0.130 0.000 2.347 38 I HA 0.514 4.680 4.170 -0.007 0.000 0.283 38 I C 0.904 177.089 176.117 0.112 0.000 1.058 38 I CA -0.260 61.128 61.300 0.146 0.000 1.202 38 I CB 0.694 38.822 38.000 0.213 0.000 1.386 38 I HN 0.812 nan 8.210 nan 0.000 0.475 39 G N 3.567 112.418 108.800 0.085 0.000 3.377 39 G HA2 0.130 4.086 3.960 -0.007 0.000 0.182 39 G HA3 0.130 4.086 3.960 -0.007 0.000 0.182 39 G C 0.344 175.280 174.900 0.060 0.000 1.166 39 G CA 0.011 45.150 45.100 0.066 0.000 0.771 39 G HN 0.359 nan 8.290 nan 0.000 0.701 40 D N 0.343 120.769 120.400 0.044 0.000 2.178 40 D HA 0.041 4.677 4.640 -0.007 0.000 0.202 40 D C 0.904 177.227 176.300 0.038 0.000 0.974 40 D CA 0.946 54.968 54.000 0.038 0.000 0.841 40 D CB 0.355 41.171 40.800 0.027 0.000 0.953 40 D HN 0.081 nan 8.370 nan 0.000 0.478 41 R N -0.133 120.391 120.500 0.040 0.000 2.888 41 R HA 0.468 4.804 4.340 -0.007 0.000 0.266 41 R C -0.954 175.380 176.300 0.058 0.000 1.020 41 R CA -1.002 55.123 56.100 0.041 0.000 0.963 41 R CB 1.938 32.255 30.300 0.028 0.000 1.197 41 R HN -0.063 nan 8.270 nan 0.000 0.481 42 L N 1.385 122.651 121.223 0.071 0.000 2.265 42 L HA 0.386 4.722 4.340 -0.007 0.000 0.289 42 L C -0.480 176.442 176.870 0.087 0.000 1.033 42 L CA 0.235 55.130 54.840 0.092 0.000 0.814 42 L CB 1.253 43.381 42.059 0.116 0.000 1.203 42 L HN 0.789 nan 8.230 nan 0.000 0.423 43 T N 1.807 116.406 114.554 0.074 0.000 2.906 43 T HA 0.736 5.082 4.350 -0.007 0.000 0.295 43 T C -0.790 173.963 174.700 0.087 0.000 1.075 43 T CA -0.592 61.542 62.100 0.056 0.000 1.005 43 T CB 1.632 70.490 68.868 -0.017 0.000 1.136 43 T HN 0.559 nan 8.240 nan 0.000 0.498 44 Y N -0.127 120.116 120.300 -0.095 0.000 2.562 44 Y HA 0.790 5.336 4.550 -0.007 0.000 0.345 44 Y C -1.245 174.609 175.900 -0.077 0.000 1.045 44 Y CA -1.130 56.893 58.100 -0.128 0.000 1.028 44 Y CB 1.634 40.013 38.460 -0.136 0.000 1.297 44 Y HN 0.914 nan 8.280 nan 0.000 0.463 45 D N 1.906 122.235 120.400 -0.118 0.000 2.614 45 D HA 0.622 5.258 4.640 -0.007 0.000 0.264 45 D C -1.325 174.973 176.300 -0.003 0.000 1.092 45 D CA -0.629 53.266 54.000 -0.174 0.000 1.071 45 D CB 2.257 42.990 40.800 -0.112 0.000 1.443 45 D HN 0.732 nan 8.370 nan 0.000 0.528 46 I N -0.488 120.080 120.570 -0.004 0.000 2.569 46 I HA 0.348 4.514 4.170 -0.007 0.000 0.290 46 I C -0.869 175.280 176.117 0.052 0.000 1.088 46 I CA -0.576 60.769 61.300 0.074 0.000 1.047 46 I CB 2.504 40.580 38.000 0.128 0.000 1.237 46 I HN 0.236 nan 8.210 nan 0.000 0.421 47 T N 4.075 118.664 114.554 0.059 0.000 2.841 47 T HA 0.285 4.631 4.350 -0.007 0.000 0.285 47 T C -1.091 173.643 174.700 0.057 0.000 0.991 47 T CA -0.382 61.747 62.100 0.048 0.000 0.966 47 T CB 1.531 70.418 68.868 0.032 0.000 0.962 47 T HN 0.642 nan 8.240 nan 0.000 0.438 48 C N 5.270 124.604 119.300 0.057 0.000 2.301 48 C HA 0.496 4.952 4.460 -0.007 0.000 0.323 48 C C 0.391 175.407 174.990 0.044 0.000 1.265 48 C CA -0.543 58.508 59.018 0.056 0.000 1.503 48 C CB -1.245 26.534 27.740 0.064 0.000 2.195 48 C HN 0.993 nan 8.230 nan 0.000 0.477 49 N N 3.974 122.698 118.700 0.039 0.000 2.727 49 N HA -0.187 4.549 4.740 -0.007 0.000 0.249 49 N C 1.003 176.529 175.510 0.027 0.000 1.048 49 N CA 1.892 54.961 53.050 0.031 0.000 0.714 49 N CB -1.334 37.171 38.487 0.030 0.000 0.959 49 N HN 1.719 nan 8.380 nan 0.000 0.544 50 G N -0.735 108.081 108.800 0.027 0.000 2.267 50 G HA2 -0.398 3.558 3.960 -0.007 0.000 0.257 50 G HA3 -0.398 3.558 3.960 -0.007 0.000 0.257 50 G C 0.141 175.055 174.900 0.024 0.000 0.998 50 G CA 0.690 45.804 45.100 0.022 0.000 0.620 50 G HN 0.698 nan 8.290 nan 0.000 0.529 51 R N 1.118 121.635 120.500 0.029 0.000 2.221 51 R HA 0.507 4.843 4.340 -0.007 0.000 0.327 51 R C 0.339 176.662 176.300 0.038 0.000 1.033 51 R CA -0.451 55.668 56.100 0.032 0.000 0.887 51 R CB 0.456 30.776 30.300 0.035 0.000 1.057 51 R HN 0.343 nan 8.270 nan 0.000 0.455 52 Q N 5.537 125.357 119.800 0.033 0.000 2.286 52 Q HA 0.074 4.410 4.340 -0.007 0.000 0.265 52 Q C 0.788 176.818 176.000 0.051 0.000 1.080 52 Q CA -0.025 55.797 55.803 0.032 0.000 0.906 52 Q CB 0.582 29.330 28.738 0.016 0.000 1.227 52 Q HN 0.838 nan 8.270 nan 0.000 0.409 53 I N 1.319 121.929 120.570 0.068 0.000 3.783 53 I HA 0.251 4.417 4.170 -0.007 0.000 0.310 53 I C -0.320 175.865 176.117 0.113 0.000 1.274 53 I CA -0.067 61.303 61.300 0.118 0.000 1.294 53 I CB 0.495 38.579 38.000 0.141 0.000 1.051 53 I HN 0.357 nan 8.210 nan 0.000 0.435 54 L N 2.563 123.787 121.223 0.002 0.000 2.439 54 L HA 0.485 4.821 4.340 -0.007 0.000 0.270 54 L C 0.202 176.982 176.870 -0.150 0.000 0.972 54 L CA -0.159 54.587 54.840 -0.156 0.000 0.836 54 L CB 1.836 43.780 42.059 -0.191 0.000 1.255 54 L HN 0.292 nan 8.230 nan 0.000 0.404 55 T N 2.169 116.625 114.554 -0.162 0.000 2.816 55 T HA 0.543 4.889 4.350 -0.007 0.000 0.282 55 T C -2.521 172.064 174.700 -0.192 0.000 0.993 55 T CA -1.871 60.154 62.100 -0.125 0.000 0.994 55 T CB 0.755 69.579 68.868 -0.074 0.000 1.025 55 T HN 0.447 nan 8.240 nan 0.000 0.529 56 P HA 0.105 nan 4.420 nan 0.000 0.253 56 P C -0.804 176.373 177.300 -0.206 0.000 1.159 56 P CA 0.404 63.404 63.100 -0.166 0.000 0.779 56 P CB -0.025 31.622 31.700 -0.089 0.000 0.745 57 S N 5.965 121.462 115.700 -0.339 0.000 2.454 57 S HA 0.522 4.988 4.470 -0.007 0.000 0.306 57 S C -2.450 172.042 174.600 -0.181 0.000 1.100 57 S CA -1.541 56.464 58.200 -0.326 0.000 1.087 57 S CB 1.126 63.990 63.200 -0.560 0.000 1.019 57 S HN 0.225 nan 8.310 nan 0.000 0.480 58 P HA 0.428 nan 4.420 nan 0.000 0.275 58 P C -0.785 176.550 177.300 0.058 0.000 1.227 58 P CA -0.473 62.630 63.100 0.005 0.000 0.781 58 P CB 0.282 31.986 31.700 0.008 0.000 0.906 59 I N -0.792 119.844 120.570 0.111 0.000 2.656 59 I HA 0.842 5.008 4.170 -0.007 0.000 0.292 59 I C -0.872 175.411 176.117 0.278 0.000 1.144 59 I CA -0.759 60.661 61.300 0.200 0.000 1.038 59 I CB 2.573 40.614 38.000 0.069 0.000 1.244 59 I HN 0.390 nan 8.210 nan 0.000 0.420 60 S N 4.896 120.738 115.700 0.236 0.000 2.595 60 S HA 0.718 5.184 4.470 -0.007 0.000 0.270 60 S C -1.249 173.152 174.600 -0.331 0.000 1.145 60 S CA -0.990 57.223 58.200 0.021 0.000 0.825 60 S CB 1.885 65.066 63.200 -0.033 0.000 1.107 60 S HN 0.784 nan 8.310 nan 0.000 0.461 61 M N 1.648 120.895 119.600 -0.588 0.000 2.263 61 M HA 0.428 4.904 4.480 -0.007 0.000 0.295 61 M C -1.288 174.607 176.300 -0.674 0.000 1.028 61 M CA -0.271 54.600 55.300 -0.715 0.000 0.921 61 M CB 2.750 34.711 32.600 -1.066 0.000 1.601 61 M HN 0.800 nan 8.290 nan 0.000 0.440 62 T N 4.651 118.899 114.554 -0.509 0.000 2.758 62 T HA 0.604 4.950 4.350 -0.007 0.000 0.285 62 T C -0.127 174.291 174.700 -0.469 0.000 0.981 62 T CA -0.559 61.272 62.100 -0.448 0.000 0.965 62 T CB 0.582 69.291 68.868 -0.265 0.000 0.927 62 T HN 0.450 nan 8.240 nan 0.000 0.448 63 L N 2.869 123.753 121.223 -0.565 0.000 2.399 63 L HA 0.380 4.716 4.340 -0.007 0.000 0.265 63 L C 1.598 178.300 176.870 -0.280 0.000 1.089 63 L CA -0.997 53.555 54.840 -0.479 0.000 0.802 63 L CB 0.712 42.330 42.059 -0.735 0.000 1.180 63 L HN 0.643 nan 8.230 nan 0.000 0.454 64 D N 0.327 120.614 120.400 -0.188 0.000 2.384 64 D HA -0.175 4.461 4.640 -0.007 0.000 0.222 64 D C 0.828 177.056 176.300 -0.120 0.000 0.976 64 D CA 0.708 54.627 54.000 -0.135 0.000 0.915 64 D CB -0.498 40.218 40.800 -0.141 0.000 0.896 64 D HN 0.651 nan 8.370 nan 0.000 0.523 65 N N -0.737 117.874 118.700 -0.148 0.000 2.276 65 N HA 0.186 4.922 4.740 -0.007 0.000 0.212 65 N C 1.504 176.943 175.510 -0.119 0.000 1.127 65 N CA 0.293 53.275 53.050 -0.114 0.000 0.834 65 N CB 0.304 38.728 38.487 -0.105 0.000 1.014 65 N HN 0.218 nan 8.380 nan 0.000 0.491 66 G N -1.039 107.677 108.800 -0.140 0.000 2.267 66 G HA2 -0.319 3.637 3.960 -0.007 0.000 0.257 66 G HA3 -0.319 3.637 3.960 -0.007 0.000 0.257 66 G C 0.259 175.064 174.900 -0.159 0.000 0.998 66 G CA 0.595 45.620 45.100 -0.126 0.000 0.620 66 G HN 0.475 nan 8.290 nan 0.000 0.529 67 T N 0.940 115.372 114.554 -0.204 0.000 2.928 67 T HA 0.437 4.783 4.350 -0.007 0.000 0.305 67 T C 0.222 174.709 174.700 -0.355 0.000 1.035 67 T CA 0.596 62.559 62.100 -0.228 0.000 1.145 67 T CB 1.929 70.652 68.868 -0.242 0.000 0.963 67 T HN 0.670 nan 8.240 nan 0.000 0.545 68 V N 4.533 124.283 119.914 -0.274 0.000 2.357 68 V HA 0.207 4.323 4.120 -0.007 0.000 0.281 68 V C -0.619 175.299 176.094 -0.293 0.000 1.015 68 V CA -1.208 60.895 62.300 -0.330 0.000 0.827 68 V CB 0.898 32.601 31.823 -0.201 0.000 1.018 68 V HN 0.821 nan 8.190 nan 0.000 0.432 69 W N 4.082 124.934 121.300 -0.746 0.000 2.469 69 W HA 0.534 5.191 4.660 -0.006 0.000 0.321 69 W C 1.237 177.343 176.519 -0.687 0.000 1.415 69 W CA 0.683 57.267 57.345 -1.270 0.000 1.308 69 W CB 0.073 28.442 29.460 -1.819 0.000 1.368 69 W HN 0.933 nan 8.180 nan 0.000 0.546 70 G N 2.300 111.000 108.800 -0.166 0.000 2.380 70 G HA2 -0.204 3.752 3.960 -0.007 0.000 0.197 70 G HA3 -0.204 3.752 3.960 -0.007 0.000 0.197 70 G C -0.026 174.897 174.900 0.038 0.000 1.001 70 G CA -0.659 44.468 45.100 0.046 0.000 0.668 70 G HN 0.399 nan 8.290 nan 0.000 0.483 71 E N 0.779 120.983 120.200 0.007 0.000 2.109 71 E HA 0.509 4.855 4.350 -0.007 0.000 0.278 71 E C 0.146 176.776 176.600 0.051 0.000 0.954 71 E CA -0.545 55.866 56.400 0.019 0.000 0.779 71 E CB 0.395 30.088 29.700 -0.012 0.000 1.093 71 E HN 0.403 nan 8.360 nan 0.000 0.401 72 N N 1.425 120.163 118.700 0.063 0.000 2.735 72 N HA -0.247 4.489 4.740 -0.007 0.000 0.248 72 N C -0.592 174.990 175.510 0.121 0.000 1.083 72 N CA 0.104 53.203 53.050 0.080 0.000 0.703 72 N CB -0.628 37.897 38.487 0.063 0.000 1.005 72 N HN 0.506 nan 8.380 nan 0.000 0.550 73 A N 0.475 123.378 122.820 0.138 0.000 2.498 73 A HA 0.278 4.594 4.320 -0.007 0.000 0.239 73 A C 0.471 178.206 177.584 0.250 0.000 1.068 73 A CA 0.549 52.699 52.037 0.188 0.000 0.766 73 A CB 0.469 19.439 19.000 -0.049 0.000 1.003 73 A HN 0.130 nan 8.150 nan 0.000 0.497 74 K N 2.857 123.443 120.400 0.310 0.000 2.483 74 K HA 0.379 4.695 4.320 -0.007 0.000 0.256 74 K C -0.692 176.033 176.600 0.209 0.000 0.961 74 K CA -0.220 56.204 56.287 0.229 0.000 0.873 74 K CB 1.399 33.986 32.500 0.144 0.000 1.107 74 K HN 0.676 nan 8.250 nan 0.000 0.432 75 L N 1.701 122.971 121.223 0.077 0.000 2.461 75 L HA 0.007 4.343 4.340 -0.007 0.000 0.272 75 L C 1.408 178.168 176.870 -0.185 0.000 1.197 75 L CA 0.370 55.066 54.840 -0.240 0.000 0.836 75 L CB 0.735 42.626 42.059 -0.281 0.000 1.105 75 L HN 0.790 nan 8.230 nan 0.000 0.477 76 S N -0.252 115.284 115.700 -0.274 0.000 2.589 76 S HA 0.425 4.891 4.470 -0.007 0.000 0.235 76 S C 0.341 174.831 174.600 -0.184 0.000 1.051 76 S CA 0.153 58.246 58.200 -0.178 0.000 0.978 76 S CB 1.074 64.177 63.200 -0.163 0.000 0.929 76 S HN 0.870 nan 8.310 nan 0.000 0.523 77 G N 0.338 108.981 108.800 -0.261 0.000 2.356 77 G HA2 0.488 4.444 3.960 -0.007 0.000 0.294 77 G HA3 0.488 4.444 3.960 -0.007 0.000 0.294 77 G C -1.143 173.593 174.900 -0.274 0.000 1.423 77 G CA 0.012 44.984 45.100 -0.214 0.000 0.806 77 G HN 0.882 nan 8.290 nan 0.000 0.527 78 T N -2.626 111.813 114.554 -0.192 0.000 2.792 78 T HA 0.931 5.277 4.350 -0.007 0.000 0.303 78 T C -0.404 174.230 174.700 -0.110 0.000 1.310 78 T CA 0.184 62.172 62.100 -0.187 0.000 1.007 78 T CB 1.474 70.237 68.868 -0.175 0.000 1.335 78 T HN 2.387 nan 8.240 nan 0.000 0.504 79 S N -0.125 115.526 115.700 -0.083 0.000 2.552 79 S HA 0.754 5.220 4.470 -0.007 0.000 0.272 79 S C -1.469 173.120 174.600 -0.018 0.000 1.150 79 S CA -1.232 56.941 58.200 -0.045 0.000 0.849 79 S CB 1.704 64.878 63.200 -0.043 0.000 1.113 79 S HN 1.001 nan 8.310 nan 0.000 0.458 80 R N 0.375 120.871 120.500 -0.007 0.000 2.803 80 R HA 0.774 5.110 4.340 -0.007 0.000 0.276 80 R C -1.395 174.908 176.300 0.005 0.000 0.978 80 R CA -0.984 55.121 56.100 0.009 0.000 0.939 80 R CB 1.890 32.193 30.300 0.004 0.000 1.179 80 R HN 0.598 nan 8.270 nan 0.000 0.472 81 K N 0.058 120.465 120.400 0.013 0.000 2.469 81 K HA 0.412 4.728 4.320 -0.007 0.000 0.254 81 K C -1.360 175.188 176.600 -0.086 0.000 0.939 81 K CA -0.427 55.848 56.287 -0.020 0.000 0.812 81 K CB 2.528 35.039 32.500 0.018 0.000 1.301 81 K HN 0.373 nan 8.250 nan 0.000 0.433 82 S N 1.232 116.853 115.700 -0.131 0.000 2.669 82 S HA 0.476 4.942 4.470 -0.007 0.000 0.315 82 S C -1.045 173.404 174.600 -0.252 0.000 1.106 82 S CA -0.764 57.324 58.200 -0.187 0.000 1.107 82 S CB 0.847 63.988 63.200 -0.099 0.000 0.990 82 S HN 0.250 nan 8.310 nan 0.000 0.471 83 V N 2.978 122.594 119.914 -0.497 0.000 2.513 83 V HA 0.590 4.706 4.120 -0.007 0.000 0.299 83 V C -0.607 175.355 176.094 -0.221 0.000 1.035 83 V CA -0.668 61.355 62.300 -0.461 0.000 0.889 83 V CB 1.939 33.270 31.823 -0.821 0.000 0.988 83 V HN 0.751 nan 8.190 nan 0.000 0.440 84 D N 3.528 123.884 120.400 -0.073 0.000 2.328 84 D HA 0.336 4.972 4.640 -0.007 0.000 0.243 84 D C -0.555 175.727 176.300 -0.031 0.000 1.324 84 D CA -0.245 53.750 54.000 -0.008 0.000 0.966 84 D CB 1.076 41.817 40.800 -0.099 0.000 1.324 84 D HN 0.858 nan 8.370 nan 0.000 0.549 85 E N 1.309 121.519 120.200 0.016 0.000 2.416 85 E HA 0.573 4.919 4.350 -0.007 0.000 0.273 85 E C -0.768 175.861 176.600 0.050 0.000 0.935 85 E CA -1.061 55.353 56.400 0.025 0.000 0.784 85 E CB 1.785 31.508 29.700 0.038 0.000 1.301 85 E HN 0.008 nan 8.360 nan 0.000 0.454 86 M N 1.964 121.586 119.600 0.037 0.000 2.180 86 M HA 0.388 4.864 4.480 -0.007 0.000 0.350 86 M C -0.885 175.448 176.300 0.055 0.000 1.125 86 M CA -0.877 54.447 55.300 0.041 0.000 1.031 86 M CB 0.966 33.575 32.600 0.016 0.000 1.623 86 M HN 0.559 nan 8.290 nan 0.000 0.451 87 I N 6.623 127.240 120.570 0.079 0.000 2.339 87 I HA 0.338 4.504 4.170 -0.007 0.000 0.290 87 I C -1.917 174.255 176.117 0.090 0.000 0.994 87 I CA -2.491 58.870 61.300 0.103 0.000 1.191 87 I CB 1.404 39.502 38.000 0.164 0.000 1.343 87 I HN 0.276 nan 8.210 nan 0.000 0.458 88 P HA 0.053 nan 4.420 nan 0.000 0.265 88 P C -0.320 177.022 177.300 0.071 0.000 1.193 88 P CA -0.054 63.064 63.100 0.031 0.000 0.765 88 P CB 0.532 32.236 31.700 0.007 0.000 0.823 89 S N 2.684 118.365 115.700 -0.032 0.000 2.128 89 S HA 0.360 4.826 4.470 -0.007 0.000 0.157 89 S C -2.359 172.159 174.600 -0.137 0.000 1.650 89 S CA -1.526 56.605 58.200 -0.114 0.000 1.269 89 S CB 0.348 63.321 63.200 -0.379 0.000 1.227 89 S HN 0.303 nan 8.310 nan 0.000 0.405 90 P HA 0.253 nan 4.420 nan 0.000 0.272 90 P C -0.135 176.914 177.300 -0.419 0.000 1.223 90 P CA 0.025 62.803 63.100 -0.537 0.000 0.784 90 P CB -0.140 31.029 31.700 -0.884 0.000 0.923 91 F N -1.569 118.392 119.950 0.019 0.000 3.039 91 F HA -0.250 4.273 4.527 -0.007 0.000 0.287 91 F C 0.275 176.167 175.800 0.154 0.000 0.956 91 F CA 0.489 58.511 58.000 0.038 0.000 0.971 91 F CB -2.453 36.551 39.000 0.005 0.000 0.943 91 F HN 0.401 nan 8.300 nan 0.000 0.766 92 Y N -0.240 120.086 120.300 0.045 0.000 3.221 92 Y HA 0.394 4.940 4.550 -0.007 0.000 0.267 92 Y C 1.455 177.401 175.900 0.077 0.000 2.095 92 Y CA -0.861 57.255 58.100 0.027 0.000 1.020 92 Y CB 0.404 38.772 38.460 -0.154 0.000 1.887 92 Y HN -0.133 nan 8.280 nan 0.000 0.454 93 R N 1.245 121.471 120.500 -0.457 0.000 2.200 93 R HA 0.527 4.863 4.340 -0.007 0.000 0.208 93 R C -0.182 176.005 176.300 -0.189 0.000 1.033 93 R CA 0.860 56.736 56.100 -0.374 0.000 1.000 93 R CB 0.375 30.237 30.300 -0.729 0.000 0.906 93 R HN 0.299 nan 8.270 nan 0.000 0.462 94 A N -0.160 122.551 122.820 -0.181 0.000 2.602 94 A HA 0.467 4.783 4.320 -0.007 0.000 0.290 94 A C 0.209 177.731 177.584 -0.104 0.000 1.114 94 A CA -0.692 51.275 52.037 -0.117 0.000 0.683 94 A CB 1.449 20.365 19.000 -0.139 0.000 1.281 94 A HN 0.010 nan 8.150 nan 0.000 0.416 95 S N -0.014 115.634 115.700 -0.087 0.000 2.382 95 S HA -0.024 4.442 4.470 -0.007 0.000 0.228 95 S C 0.505 175.053 174.600 -0.087 0.000 1.027 95 S CA 1.846 59.991 58.200 -0.093 0.000 0.991 95 S CB -0.322 62.834 63.200 -0.074 0.000 0.823 95 S HN 0.768 nan 8.310 nan 0.000 0.469 96 E N -0.605 119.551 120.200 -0.073 0.000 2.412 96 E HA 0.634 4.980 4.350 -0.007 0.000 0.279 96 E C -1.695 174.876 176.600 -0.048 0.000 0.984 96 E CA -0.868 55.502 56.400 -0.049 0.000 0.788 96 E CB 1.219 30.905 29.700 -0.023 0.000 1.277 96 E HN 0.024 nan 8.360 nan 0.000 0.455 97 L N 0.906 122.120 121.223 -0.016 0.000 2.386 97 L HA 0.582 4.918 4.340 -0.007 0.000 0.271 97 L C -0.041 176.859 176.870 0.049 0.000 0.993 97 L CA -1.059 53.780 54.840 -0.001 0.000 0.819 97 L CB 2.074 44.131 42.059 -0.004 0.000 1.294 97 L HN 0.500 nan 8.230 nan 0.000 0.414 98 R N 1.855 122.386 120.500 0.052 0.000 2.389 98 R HA 0.143 4.479 4.340 -0.007 0.000 0.295 98 R C -0.539 175.860 176.300 0.166 0.000 1.075 98 R CA -0.249 55.902 56.100 0.085 0.000 1.005 98 R CB 0.524 30.863 30.300 0.064 0.000 0.987 98 R HN 0.537 nan 8.270 nan 0.000 0.452 99 N N 2.497 121.323 118.700 0.210 0.000 2.706 99 N HA 0.080 4.816 4.740 -0.007 0.000 0.240 99 N C -1.864 173.873 175.510 0.379 0.000 1.039 99 N CA -0.465 52.802 53.050 0.362 0.000 0.888 99 N CB 0.501 39.180 38.487 0.319 0.000 1.128 99 N HN 0.509 nan 8.380 nan 0.000 0.512 100 H N 3.394 122.641 119.070 0.294 0.000 2.762 100 H HA 0.407 4.959 4.556 -0.007 0.000 0.310 100 H C -1.342 173.982 175.328 -0.007 0.000 1.004 100 H CA -0.492 55.603 56.048 0.077 0.000 1.267 100 H CB -0.102 29.706 29.762 0.077 0.000 1.437 100 H HN 0.492 nan 8.280 nan 0.000 0.498 101 Y N 1.500 121.560 120.300 -0.399 0.000 2.725 101 Y HA 0.500 5.046 4.550 -0.006 0.000 0.333 101 Y C -1.658 174.011 175.900 -0.385 0.000 1.242 101 Y CA -1.340 56.370 58.100 -0.650 0.000 1.059 101 Y CB 0.988 38.645 38.460 -1.339 0.000 1.306 101 Y HN 0.340 nan 8.280 nan 0.000 0.454 102 N N 0.342 118.967 118.700 -0.125 0.000 2.372 102 N HA 0.590 5.326 4.740 -0.007 0.000 0.285 102 N C -0.879 174.728 175.510 0.162 0.000 1.008 102 N CA -0.290 52.726 53.050 -0.057 0.000 0.880 102 N CB 2.092 40.544 38.487 -0.059 0.000 1.239 102 N HN 1.070 nan 8.380 nan 0.000 0.484 103 G N 0.661 109.573 108.800 0.186 0.000 2.452 103 G HA2 0.582 4.538 3.960 -0.007 0.000 0.324 103 G HA3 0.582 4.538 3.960 -0.007 0.000 0.324 103 G C -1.284 173.706 174.900 0.150 0.000 1.214 103 G CA -0.343 44.906 45.100 0.249 0.000 0.947 103 G HN 0.392 nan 8.290 nan 0.000 0.478 104 L N 1.208 122.530 121.223 0.165 0.000 2.376 104 L HA 0.732 5.068 4.340 -0.007 0.000 0.275 104 L C -0.334 176.605 176.870 0.114 0.000 0.987 104 L CA -0.356 54.549 54.840 0.109 0.000 0.828 104 L CB 2.121 44.233 42.059 0.089 0.000 1.249 104 L HN 0.380 nan 8.230 nan 0.000 0.409 105 T N 6.504 121.074 114.554 0.027 0.000 2.770 105 T HA 0.576 4.922 4.350 -0.007 0.000 0.283 105 T C -0.316 174.294 174.700 -0.151 0.000 0.988 105 T CA -0.228 61.855 62.100 -0.029 0.000 0.957 105 T CB 0.775 69.621 68.868 -0.038 0.000 0.930 105 T HN 0.468 nan 8.240 nan 0.000 0.443 106 L N 4.323 125.417 121.223 -0.214 0.000 2.265 106 L HA 0.530 4.866 4.340 -0.007 0.000 0.289 106 L C 0.547 176.974 176.870 -0.740 0.000 1.033 106 L CA -0.736 53.790 54.840 -0.524 0.000 0.814 106 L CB 0.891 42.649 42.059 -0.502 0.000 1.203 106 L HN 0.357 nan 8.230 nan 0.000 0.423 107 R N 3.542 123.563 120.500 -0.798 0.000 2.338 107 R HA 0.588 4.924 4.340 -0.007 0.000 0.317 107 R C -1.155 174.567 176.300 -0.962 0.000 0.968 107 R CA -0.496 55.185 56.100 -0.698 0.000 0.849 107 R CB 1.435 31.499 30.300 -0.394 0.000 1.128 107 R HN 0.304 nan 8.270 nan 0.000 0.448 108 F N 0.986 120.467 119.950 -0.781 0.000 2.541 108 F HA 0.384 4.907 4.527 -0.006 0.000 0.331 108 F C 0.924 176.387 175.800 -0.562 0.000 1.057 108 F CA -1.071 56.439 58.000 -0.816 0.000 0.975 108 F CB 0.920 39.003 39.000 -1.529 0.000 1.246 108 F HN 0.021 nan 8.300 nan 0.000 0.484 109 K N 1.373 121.727 120.400 -0.076 0.000 2.401 109 K HA 0.146 4.462 4.320 -0.007 0.000 0.278 109 K C -0.184 176.491 176.600 0.124 0.000 1.018 109 K CA 0.099 56.393 56.287 0.013 0.000 0.981 109 K CB 0.433 32.975 32.500 0.070 0.000 0.933 109 K HN 0.618 nan 8.250 nan 0.000 0.477 110 K N 1.872 122.354 120.400 0.136 0.000 3.200 110 K HA -0.099 4.217 4.320 -0.007 0.000 0.254 110 K C -1.167 175.599 176.600 0.277 0.000 1.342 110 K CA 0.335 56.779 56.287 0.262 0.000 0.767 110 K CB -0.847 31.917 32.500 0.440 0.000 1.914 110 K HN 0.841 nan 8.250 nan 0.000 0.538 111 D N -0.071 120.390 120.400 0.101 0.000 2.697 111 D HA -0.202 4.434 4.640 -0.007 0.000 0.235 111 D C -0.428 175.902 176.300 0.051 0.000 1.167 111 D CA 2.071 56.107 54.000 0.060 0.000 0.656 111 D CB -0.897 39.971 40.800 0.114 0.000 1.025 111 D HN 0.513 nan 8.370 nan 0.000 0.419 112 W N -0.299 120.825 121.300 -0.293 0.000 3.256 112 W HA 0.577 5.233 4.660 -0.006 0.000 0.324 112 W C -0.831 175.565 176.519 -0.205 0.000 1.196 112 W CA -0.851 56.174 57.345 -0.534 0.000 1.206 112 W CB 0.379 28.870 29.460 -1.614 0.000 1.385 112 W HN -0.196 nan 8.180 nan 0.000 0.522 113 N N 0.377 119.064 118.700 -0.022 0.000 2.701 113 N HA 0.733 5.469 4.740 -0.007 0.000 0.290 113 N C -1.725 173.838 175.510 0.088 0.000 1.338 113 N CA -0.990 52.022 53.050 -0.064 0.000 0.799 113 N CB 2.716 41.133 38.487 -0.115 0.000 1.491 113 N HN 0.175 nan 8.380 nan 0.000 0.540 114 V N 0.838 120.745 119.914 -0.011 0.000 2.612 114 V HA 0.259 4.375 4.120 -0.007 0.000 0.301 114 V C -1.116 174.890 176.094 -0.146 0.000 1.059 114 V CA -0.665 61.544 62.300 -0.151 0.000 0.886 114 V CB 1.707 33.447 31.823 -0.138 0.000 1.007 114 V HN 0.621 nan 8.190 nan 0.000 0.426 115 E N 3.961 124.004 120.200 -0.261 0.000 2.179 115 E HA 0.628 4.974 4.350 -0.007 0.000 0.275 115 E C -1.612 174.908 176.600 -0.134 0.000 0.945 115 E CA -0.483 55.845 56.400 -0.119 0.000 0.792 115 E CB 2.443 32.078 29.700 -0.109 0.000 1.125 115 E HN 0.470 nan 8.360 nan 0.000 0.397 116 F N 1.491 121.514 119.950 0.121 0.000 2.520 116 F HA 0.462 4.985 4.527 -0.007 0.000 0.322 116 F C 0.287 176.183 175.800 0.160 0.000 1.103 116 F CA -0.678 57.418 58.000 0.160 0.000 0.926 116 F CB 1.695 40.726 39.000 0.051 0.000 1.154 116 F HN 0.137 nan 8.300 nan 0.000 0.453 117 R N 1.827 122.512 120.500 0.308 0.000 2.686 117 R HA 0.828 5.164 4.340 -0.007 0.000 0.283 117 R C -1.404 174.961 176.300 0.108 0.000 0.978 117 R CA -1.242 54.901 56.100 0.072 0.000 0.897 117 R CB 2.201 32.302 30.300 -0.333 0.000 1.192 117 R HN 0.652 nan 8.270 nan 0.000 0.457 118 A N 3.229 126.072 122.820 0.039 0.000 2.310 118 A HA 0.547 4.863 4.320 -0.007 0.000 0.304 118 A C -1.393 176.175 177.584 -0.026 0.000 1.231 118 A CA -0.466 51.616 52.037 0.074 0.000 0.799 118 A CB 0.396 19.439 19.000 0.071 0.000 1.162 118 A HN 0.656 nan 8.150 nan 0.000 0.486 119 Y N 0.986 121.315 120.300 0.049 0.000 2.488 119 Y HA 0.270 4.816 4.550 -0.007 0.000 0.325 119 Y C 1.381 177.295 175.900 0.023 0.000 1.204 119 Y CA -0.741 57.380 58.100 0.036 0.000 1.229 119 Y CB 1.229 39.700 38.460 0.018 0.000 1.274 119 Y HN 0.690 nan 8.280 nan 0.000 0.493 120 N N 0.861 119.671 118.700 0.183 0.000 2.453 120 N HA -0.114 4.622 4.740 -0.007 0.000 0.183 120 N C 0.097 175.678 175.510 0.119 0.000 1.041 120 N CA 1.197 54.316 53.050 0.117 0.000 0.900 120 N CB -0.148 38.401 38.487 0.103 0.000 0.961 120 N HN 0.663 nan 8.380 nan 0.000 0.443 121 D N -1.418 119.065 120.400 0.138 0.000 2.538 121 D HA 0.331 4.967 4.640 -0.007 0.000 0.231 121 D C 0.405 176.756 176.300 0.084 0.000 1.229 121 D CA -0.560 53.493 54.000 0.089 0.000 0.828 121 D CB 0.239 41.070 40.800 0.051 0.000 1.035 121 D HN 0.068 nan 8.370 nan 0.000 0.495 122 G N -0.185 108.697 108.800 0.137 0.000 2.361 122 G HA2 0.376 4.332 3.960 -0.007 0.000 0.299 122 G HA3 0.376 4.332 3.960 -0.007 0.000 0.299 122 G C -1.959 173.068 174.900 0.211 0.000 1.544 122 G CA -0.892 44.292 45.100 0.139 0.000 0.860 122 G HN 0.029 nan 8.290 nan 0.000 0.610 123 I N 0.798 121.503 120.570 0.225 0.000 2.474 123 I HA 0.810 4.976 4.170 -0.007 0.000 0.294 123 I C 0.383 176.664 176.117 0.275 0.000 1.005 123 I CA -0.866 60.602 61.300 0.280 0.000 1.113 123 I CB 1.183 39.389 38.000 0.343 0.000 1.289 123 I HN 1.007 nan 8.210 nan 0.000 0.436 124 A N 6.500 129.476 122.820 0.259 0.000 2.572 124 A HA 0.853 5.169 4.320 -0.007 0.000 0.295 124 A C -1.657 176.093 177.584 0.276 0.000 1.072 124 A CA -0.474 51.690 52.037 0.212 0.000 0.691 124 A CB 2.080 21.104 19.000 0.040 0.000 1.291 124 A HN 0.698 nan 8.150 nan 0.000 0.404 125 Y N -0.370 119.957 120.300 0.045 0.000 2.615 125 Y HA 0.898 5.443 4.550 -0.007 0.000 0.341 125 Y C -0.604 175.066 175.900 -0.384 0.000 1.089 125 Y CA -1.081 56.755 58.100 -0.440 0.000 1.049 125 Y CB 1.383 38.930 38.460 -1.521 0.000 1.296 125 Y HN 1.021 nan 8.280 nan 0.000 0.470 126 R N 1.124 121.222 120.500 -0.670 0.000 2.594 126 R HA 0.550 4.886 4.340 -0.007 0.000 0.265 126 R C -2.314 173.769 176.300 -0.362 0.000 1.070 126 R CA -0.697 55.005 56.100 -0.663 0.000 0.909 126 R CB 1.193 30.749 30.300 -1.240 0.000 1.243 126 R HN 0.601 nan 8.270 nan 0.000 0.455 127 F N 1.190 121.102 119.950 -0.063 0.000 2.380 127 F HA 0.537 5.060 4.527 -0.006 0.000 0.325 127 F C 0.176 176.096 175.800 0.200 0.000 1.136 127 F CA -0.121 57.961 58.000 0.137 0.000 1.171 127 F CB 1.845 40.963 39.000 0.196 0.000 1.230 127 F HN 0.160 nan 8.300 nan 0.000 0.554 128 V N 1.890 122.046 119.914 0.404 0.000 2.623 128 V HA 0.256 4.372 4.120 -0.007 0.000 0.304 128 V C -0.987 175.268 176.094 0.269 0.000 1.054 128 V CA -1.089 61.348 62.300 0.228 0.000 0.882 128 V CB 1.926 33.760 31.823 0.019 0.000 1.002 128 V HN 0.679 nan 8.190 nan 0.000 0.424 129 N N 3.618 122.499 118.700 0.302 0.000 2.426 129 N HA 0.342 5.078 4.740 -0.007 0.000 0.275 129 N C 0.401 176.026 175.510 0.193 0.000 1.019 129 N CA -0.227 53.053 53.050 0.384 0.000 0.941 129 N CB 1.504 40.402 38.487 0.686 0.000 1.123 129 N HN 0.563 nan 8.380 nan 0.000 0.486 130 Q N 1.751 121.651 119.800 0.166 0.000 2.246 130 Q HA 0.259 4.595 4.340 -0.007 0.000 0.222 130 Q C 0.285 176.371 176.000 0.143 0.000 0.851 130 Q CA -0.173 55.693 55.803 0.104 0.000 0.945 130 Q CB 0.785 29.548 28.738 0.042 0.000 1.122 130 Q HN 0.722 nan 8.270 nan 0.000 0.508 131 G N 1.724 110.669 108.800 0.241 0.000 2.441 131 G HA2 0.085 4.041 3.960 -0.007 0.000 0.243 131 G HA3 0.085 4.041 3.960 -0.007 0.000 0.243 131 G C 0.804 175.838 174.900 0.223 0.000 1.281 131 G CA -0.231 45.021 45.100 0.254 0.000 0.854 131 G HN 0.178 nan 8.290 nan 0.000 0.560 132 K N 1.108 121.603 120.400 0.158 0.000 2.379 132 K HA 0.134 4.450 4.320 -0.007 0.000 0.194 132 K C 0.538 177.206 176.600 0.113 0.000 1.031 132 K CA 0.254 56.608 56.287 0.113 0.000 1.037 132 K CB 0.482 33.027 32.500 0.074 0.000 0.824 132 K HN 0.255 nan 8.250 nan 0.000 0.516 133 K N 2.509 123.002 120.400 0.155 0.000 2.172 133 K HA 0.289 4.605 4.320 -0.007 0.000 0.276 133 K C -2.544 174.170 176.600 0.190 0.000 1.013 133 K CA -2.234 54.136 56.287 0.138 0.000 0.913 133 K CB 1.181 33.755 32.500 0.124 0.000 1.055 133 K HN -0.123 nan 8.250 nan 0.000 0.461 134 P HA -0.002 nan 4.420 nan 0.000 0.268 134 P C -0.986 176.364 177.300 0.084 0.000 1.208 134 P CA 0.146 63.232 63.100 -0.022 0.000 0.777 134 P CB 0.291 31.953 31.700 -0.063 0.000 0.875 135 F N -1.666 118.237 119.950 -0.078 0.000 2.858 135 F HA 0.629 5.152 4.527 -0.007 0.000 0.319 135 F C -1.302 174.374 175.800 -0.206 0.000 1.166 135 F CA -1.352 56.564 58.000 -0.139 0.000 0.899 135 F CB 1.243 40.170 39.000 -0.120 0.000 1.332 135 F HN 0.034 nan 8.300 nan 0.000 0.461 136 R N 0.901 121.412 120.500 0.018 0.000 2.670 136 R HA 0.751 5.087 4.340 -0.007 0.000 0.289 136 R C -1.720 174.566 176.300 -0.023 0.000 0.965 136 R CA -1.354 54.624 56.100 -0.203 0.000 0.899 136 R CB 2.578 32.505 30.300 -0.621 0.000 1.173 136 R HN 0.563 nan 8.270 nan 0.000 0.456 137 V N 3.606 123.491 119.914 -0.047 0.000 2.368 137 V HA 0.045 4.161 4.120 -0.007 0.000 0.266 137 V C 1.241 177.289 176.094 -0.076 0.000 1.045 137 V CA -0.146 62.095 62.300 -0.099 0.000 0.899 137 V CB 1.305 33.068 31.823 -0.100 0.000 1.006 137 V HN 0.692 nan 8.190 nan 0.000 0.470 138 V N 4.096 123.947 119.914 -0.105 0.000 2.255 138 V HA -0.021 4.095 4.120 -0.007 0.000 0.243 138 V C 1.088 177.149 176.094 -0.055 0.000 1.038 138 V CA 2.110 64.393 62.300 -0.028 0.000 1.008 138 V CB -0.321 31.467 31.823 -0.057 0.000 0.645 138 V HN 1.006 nan 8.190 nan 0.000 0.449 139 T N -2.437 112.045 114.554 -0.120 0.000 2.792 139 T HA 0.617 4.963 4.350 -0.007 0.000 0.303 139 T C -1.120 173.483 174.700 -0.163 0.000 1.310 139 T CA -0.709 61.329 62.100 -0.103 0.000 1.007 139 T CB 2.983 71.823 68.868 -0.046 0.000 1.335 139 T HN 0.313 nan 8.240 nan 0.000 0.504 140 E N 0.195 120.339 120.200 -0.094 0.000 2.317 140 E HA 0.632 4.978 4.350 -0.007 0.000 0.270 140 E C -1.760 174.872 176.600 0.054 0.000 0.885 140 E CA -0.963 55.379 56.400 -0.097 0.000 0.760 140 E CB 2.449 32.077 29.700 -0.119 0.000 1.227 140 E HN 0.546 nan 8.360 nan 0.000 0.434 141 V N 2.442 122.384 119.914 0.047 0.000 2.495 141 V HA 0.491 4.607 4.120 -0.007 0.000 0.298 141 V C -0.528 175.682 176.094 0.194 0.000 1.031 141 V CA -0.482 61.883 62.300 0.109 0.000 0.871 141 V CB 1.675 33.534 31.823 0.059 0.000 0.988 141 V HN 0.601 nan 8.190 nan 0.000 0.432 142 S N 3.267 119.094 115.700 0.212 0.000 2.385 142 S HA 0.331 4.796 4.470 -0.007 0.000 0.191 142 S C -1.002 173.660 174.600 0.103 0.000 1.196 142 S CA -0.713 57.628 58.200 0.235 0.000 1.178 142 S CB 0.183 63.610 63.200 0.379 0.000 1.258 142 S HN 0.766 nan 8.310 nan 0.000 0.430 143 D N 1.989 122.379 120.400 -0.017 0.000 2.294 143 D HA 0.344 4.980 4.640 -0.007 0.000 0.250 143 D C -0.891 175.207 176.300 -0.336 0.000 1.058 143 D CA 0.089 54.060 54.000 -0.047 0.000 0.950 143 D CB 0.682 41.468 40.800 -0.023 0.000 1.158 143 D HN 0.526 nan 8.370 nan 0.000 0.453 144 Y N 0.262 120.565 120.300 0.005 0.000 2.681 144 Y HA 0.220 4.765 4.550 -0.007 0.000 0.347 144 Y C -0.453 175.262 175.900 -0.308 0.000 1.029 144 Y CA -0.878 57.112 58.100 -0.182 0.000 1.279 144 Y CB 0.935 39.387 38.460 -0.014 0.000 1.096 144 Y HN 0.221 nan 8.280 nan 0.000 0.580 145 C N 4.405 123.536 119.300 -0.281 0.000 2.322 145 C HA 0.415 4.871 4.460 -0.007 0.000 0.343 145 C C 0.139 174.957 174.990 -0.286 0.000 1.190 145 C CA -0.866 58.048 59.018 -0.173 0.000 1.704 145 C CB -1.931 25.737 27.740 -0.121 0.000 2.293 145 C HN 0.506 nan 8.230 nan 0.000 0.523 146 F N 5.066 125.051 119.950 0.058 0.000 2.379 146 F HA 0.361 4.884 4.527 -0.007 0.000 0.332 146 F C -0.552 175.267 175.800 0.030 0.000 1.096 146 F CA -1.991 56.038 58.000 0.048 0.000 1.105 146 F CB 0.762 39.795 39.000 0.055 0.000 1.189 146 F HN 0.414 nan 8.300 nan 0.000 0.515 147 P HA -0.029 nan 4.420 nan 0.000 0.229 147 P C -0.320 177.044 177.300 0.106 0.000 1.160 147 P CA 0.802 63.969 63.100 0.111 0.000 0.777 147 P CB 0.389 32.140 31.700 0.086 0.000 0.814 148 S N -1.685 114.094 115.700 0.131 0.000 2.638 148 S HA 0.286 4.752 4.470 -0.007 0.000 0.274 148 S C -0.756 173.885 174.600 0.068 0.000 1.157 148 S CA -0.749 57.501 58.200 0.083 0.000 0.826 148 S CB 0.811 64.045 63.200 0.057 0.000 1.139 148 S HN -0.270 nan 8.310 nan 0.000 0.474 149 D N 1.111 121.534 120.400 0.038 0.000 2.662 149 D HA 0.239 4.875 4.640 -0.007 0.000 0.228 149 D C 0.100 176.388 176.300 -0.021 0.000 1.093 149 D CA 0.086 54.095 54.000 0.015 0.000 1.075 149 D CB -0.874 39.937 40.800 0.019 0.000 1.122 149 D HN 0.448 nan 8.370 nan 0.000 0.475 150 M N -0.119 119.445 119.600 -0.061 0.000 2.207 150 M HA 0.088 4.564 4.480 -0.007 0.000 0.311 150 M C 0.818 177.040 176.300 -0.130 0.000 1.127 150 M CA 0.281 55.514 55.300 -0.112 0.000 1.181 150 M CB 0.646 33.127 32.600 -0.198 0.000 1.409 150 M HN -0.030 nan 8.290 nan 0.000 0.461 151 T N 1.825 116.308 114.554 -0.119 0.000 2.743 151 T HA 0.544 4.890 4.350 -0.007 0.000 0.293 151 T C -0.310 174.303 174.700 -0.145 0.000 0.945 151 T CA -0.647 61.390 62.100 -0.104 0.000 1.030 151 T CB 0.552 69.376 68.868 -0.073 0.000 0.912 151 T HN 0.669 nan 8.240 nan 0.000 0.483 152 A N 2.925 125.659 122.820 -0.142 0.000 2.325 152 A HA 0.736 5.052 4.320 -0.007 0.000 0.333 152 A C 0.096 177.605 177.584 -0.125 0.000 1.155 152 A CA -0.756 51.183 52.037 -0.163 0.000 0.814 152 A CB 1.037 19.928 19.000 -0.182 0.000 1.206 152 A HN 0.644 nan 8.150 nan 0.000 0.482 153 S N 0.699 116.316 115.700 -0.138 0.000 2.594 153 S HA 0.544 5.010 4.470 -0.007 0.000 0.322 153 S C -0.316 174.230 174.600 -0.090 0.000 1.085 153 S CA -0.451 57.682 58.200 -0.112 0.000 1.116 153 S CB 0.647 63.738 63.200 -0.182 0.000 0.979 153 S HN 1.400 nan 8.310 nan 0.000 0.465 154 V N 1.334 121.207 119.914 -0.069 0.000 2.914 154 V HA 0.884 5.000 4.120 -0.007 0.000 0.314 154 V C -3.010 172.984 176.094 -0.167 0.000 1.084 154 V CA -2.883 59.342 62.300 -0.125 0.000 0.963 154 V CB 2.375 33.999 31.823 -0.330 0.000 1.025 154 V HN 0.519 nan 8.190 nan 0.000 0.432 155 P HA 0.405 nan 4.420 nan 0.000 0.284 155 P C -1.396 175.483 177.300 -0.701 0.000 1.459 155 P CA -0.291 62.440 63.100 -0.615 0.000 0.982 155 P CB 0.474 31.606 31.700 -0.945 0.000 1.184 156 Y N 1.388 121.539 120.300 -0.248 0.000 2.379 156 Y HA 0.044 4.590 4.550 -0.006 0.000 0.337 156 Y C 1.480 177.397 175.900 0.028 0.000 1.238 156 Y CA -0.085 57.960 58.100 -0.092 0.000 1.405 156 Y CB 0.382 38.831 38.460 -0.019 0.000 1.310 156 Y HN 0.142 nan 8.280 nan 0.000 0.569 157 V N 3.834 123.960 119.914 0.354 0.000 2.585 157 V HA -0.065 4.051 4.120 -0.007 0.000 0.296 157 V C 1.268 177.483 176.094 0.201 0.000 1.035 157 V CA -0.095 62.422 62.300 0.362 0.000 1.084 157 V CB 1.057 33.010 31.823 0.216 0.000 0.953 157 V HN 0.837 nan 8.190 nan 0.000 0.483 158 K N 2.738 123.236 120.400 0.163 0.000 2.116 158 K HA -0.032 4.284 4.320 -0.007 0.000 0.203 158 K C 1.111 177.712 176.600 0.002 0.000 1.052 158 K CA 0.993 57.326 56.287 0.077 0.000 0.952 158 K CB 0.191 32.733 32.500 0.069 0.000 0.729 158 K HN 0.852 nan 8.250 nan 0.000 0.446 159 S N -1.009 114.666 115.700 -0.041 0.000 2.738 159 S HA 0.677 5.143 4.470 -0.007 0.000 0.284 159 S C 0.354 174.910 174.600 -0.074 0.000 1.146 159 S CA -0.348 57.810 58.200 -0.071 0.000 0.997 159 S CB 1.399 64.525 63.200 -0.124 0.000 1.081 159 S HN 0.523 nan 8.310 nan 0.000 0.553 160 G N 0.254 109.015 108.800 -0.064 0.000 2.796 160 G HA2 0.007 3.963 3.960 -0.007 0.000 0.571 160 G HA3 0.007 3.963 3.960 -0.007 0.000 0.571 160 G C -1.314 173.526 174.900 -0.101 0.000 1.370 160 G CA -0.670 44.384 45.100 -0.077 0.000 0.856 160 G HN 0.754 nan 8.290 nan 0.000 0.538 161 K N 0.515 120.838 120.400 -0.128 0.000 2.156 161 K HA 0.481 4.797 4.320 -0.007 0.000 0.250 161 K C -0.268 176.206 176.600 -0.210 0.000 0.955 161 K CA -0.971 55.231 56.287 -0.141 0.000 0.855 161 K CB 1.099 33.530 32.500 -0.116 0.000 1.101 161 K HN 0.570 nan 8.250 nan 0.000 0.434 162 D N 0.310 120.593 120.400 -0.195 0.000 2.488 162 D HA 0.168 4.804 4.640 -0.007 0.000 0.238 162 D C 1.316 177.434 176.300 -0.302 0.000 1.138 162 D CA 1.555 55.413 54.000 -0.237 0.000 0.873 162 D CB 0.514 41.212 40.800 -0.170 0.000 1.183 162 D HN 0.734 nan 8.370 nan 0.000 0.458 163 G N 2.638 111.144 108.800 -0.490 0.000 2.284 163 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.247 163 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.247 163 G C 0.344 174.843 174.900 -0.668 0.000 1.012 163 G CA 0.221 44.996 45.100 -0.542 0.000 0.618 163 G HN 0.618 nan 8.290 nan 0.000 0.521 164 D N 0.162 120.226 120.400 -0.560 0.000 2.499 164 D HA 0.520 5.156 4.640 -0.007 0.000 0.225 164 D C 1.187 177.194 176.300 -0.488 0.000 1.124 164 D CA -0.881 52.883 54.000 -0.392 0.000 0.938 164 D CB -0.283 40.387 40.800 -0.217 0.000 1.014 164 D HN 0.386 nan 8.370 nan 0.000 0.517 165 Y N 1.404 121.534 120.300 -0.283 0.000 2.293 165 Y HA -0.124 4.422 4.550 -0.006 0.000 0.291 165 Y C 2.150 177.518 175.900 -0.886 0.000 1.137 165 Y CA 0.500 58.226 58.100 -0.624 0.000 1.202 165 Y CB -0.015 38.103 38.460 -0.570 0.000 0.990 165 Y HN 0.345 nan 8.280 nan 0.000 0.537 166 N N -0.260 118.315 118.700 -0.210 0.000 2.309 166 N HA -0.136 4.600 4.740 -0.007 0.000 0.182 166 N C 1.925 177.439 175.510 0.007 0.000 1.018 166 N CA 1.521 54.600 53.050 0.048 0.000 0.876 166 N CB -0.352 38.241 38.487 0.177 0.000 0.972 166 N HN 0.408 nan 8.380 nan 0.000 0.434 167 S N 0.130 115.779 115.700 -0.085 0.000 2.489 167 S HA 0.006 4.472 4.470 -0.007 0.000 0.228 167 S C 1.651 176.217 174.600 -0.056 0.000 0.995 167 S CA 0.434 58.619 58.200 -0.026 0.000 0.934 167 S CB 0.017 63.183 63.200 -0.057 0.000 0.771 167 S HN 0.304 nan 8.310 nan 0.000 0.522 168 Q N -0.462 119.206 119.800 -0.221 0.000 2.339 168 Q HA 0.210 4.546 4.340 -0.007 0.000 0.205 168 Q C 1.171 177.069 176.000 -0.170 0.000 0.925 168 Q CA 0.539 56.199 55.803 -0.237 0.000 0.898 168 Q CB -0.228 28.311 28.738 -0.332 0.000 1.013 168 Q HN 0.565 nan 8.270 nan 0.000 0.504 169 F N 0.163 120.095 119.950 -0.031 0.000 2.333 169 F HA -0.118 4.405 4.527 -0.007 0.000 0.300 169 F C 0.953 176.828 175.800 0.126 0.000 1.083 169 F CA 0.366 58.376 58.000 0.017 0.000 1.395 169 F CB -0.260 38.764 39.000 0.040 0.000 1.056 169 F HN 0.018 nan 8.300 nan 0.000 0.529 170 F N 2.815 122.827 119.950 0.103 0.000 2.406 170 F HA 0.324 4.847 4.527 -0.006 0.000 0.358 170 F C -0.125 175.643 175.800 -0.053 0.000 1.161 170 F CA -1.518 56.505 58.000 0.038 0.000 1.185 170 F CB -0.840 38.185 39.000 0.041 0.000 1.421 170 F HN 0.121 nan 8.300 nan 0.000 0.576 171 N N 0.249 118.724 118.700 -0.376 0.000 2.708 171 N HA 0.297 5.033 4.740 -0.007 0.000 0.257 171 N C -0.589 174.545 175.510 -0.626 0.000 1.373 171 N CA -0.383 52.343 53.050 -0.541 0.000 0.843 171 N CB 1.297 39.519 38.487 -0.442 0.000 1.503 171 N HN 0.021 nan 8.380 nan 0.000 0.504 172 S N -0.298 115.132 115.700 -0.450 0.000 2.605 172 S HA 0.170 4.636 4.470 -0.007 0.000 0.217 172 S C -0.159 174.351 174.600 -0.150 0.000 0.958 172 S CA -0.470 57.581 58.200 -0.247 0.000 0.919 172 S CB -1.058 62.029 63.200 -0.188 0.000 0.780 172 S HN 0.626 nan 8.310 nan 0.000 0.507 173 F N 1.022 120.777 119.950 -0.325 0.000 3.100 173 F HA -0.187 4.336 4.527 -0.006 0.000 0.283 173 F C 0.001 175.456 175.800 -0.576 0.000 0.900 173 F CA 0.699 58.208 58.000 -0.819 0.000 1.010 173 F CB -2.424 36.159 39.000 -0.695 0.000 1.029 173 F HN 0.393 nan 8.300 nan 0.000 0.637 174 E N 0.578 120.724 120.200 -0.090 0.000 2.145 174 E HA 0.621 4.967 4.350 -0.007 0.000 0.262 174 E C -0.181 176.512 176.600 0.155 0.000 0.883 174 E CA -0.871 55.570 56.400 0.067 0.000 0.748 174 E CB 1.679 31.395 29.700 0.027 0.000 1.140 174 E HN 0.227 nan 8.360 nan 0.000 0.417 175 N N 0.918 119.745 118.700 0.212 0.000 3.127 175 N HA 0.222 4.958 4.740 -0.007 0.000 0.239 175 N C -1.235 174.163 175.510 -0.188 0.000 1.407 175 N CA -0.404 52.682 53.050 0.060 0.000 0.891 175 N CB 1.879 40.477 38.487 0.185 0.000 1.447 175 N HN 0.225 nan 8.380 nan 0.000 0.507 176 T N 0.742 115.151 114.554 -0.242 0.000 2.788 176 T HA 0.391 4.737 4.350 -0.007 0.000 0.280 176 T C -0.702 173.861 174.700 -0.229 0.000 0.984 176 T CA 0.266 62.212 62.100 -0.258 0.000 0.972 176 T CB 0.041 68.845 68.868 -0.108 0.000 1.039 176 T HN 0.232 nan 8.240 nan 0.000 0.530 177 Y N 0.582 120.993 120.300 0.185 0.000 2.334 177 Y HA 0.389 4.935 4.550 -0.006 0.000 0.328 177 Y C 0.959 176.885 175.900 0.044 0.000 1.130 177 Y CA -0.645 57.498 58.100 0.072 0.000 1.163 177 Y CB 1.218 39.722 38.460 0.074 0.000 1.207 177 Y HN 0.425 nan 8.280 nan 0.000 0.471 178 T N 2.505 117.132 114.554 0.122 0.000 2.779 178 T HA 0.369 4.714 4.350 -0.007 0.000 0.280 178 T C -0.382 174.345 174.700 0.044 0.000 0.987 178 T CA -0.690 61.468 62.100 0.097 0.000 0.966 178 T CB 0.628 69.578 68.868 0.137 0.000 0.933 178 T HN 0.508 nan 8.240 nan 0.000 0.442 179 T N 4.491 119.080 114.554 0.060 0.000 2.758 179 T HA 0.604 4.950 4.350 -0.007 0.000 0.285 179 T C -0.712 174.000 174.700 0.020 0.000 0.981 179 T CA -0.552 61.557 62.100 0.016 0.000 0.965 179 T CB 0.847 69.722 68.868 0.013 0.000 0.927 179 T HN 0.575 nan 8.240 nan 0.000 0.448 180 D N 1.329 121.727 120.400 -0.003 0.000 2.725 180 D HA 0.213 4.849 4.640 -0.007 0.000 0.292 180 D C -0.814 175.478 176.300 -0.014 0.000 1.288 180 D CA -0.703 53.303 54.000 0.010 0.000 0.784 180 D CB 1.663 42.492 40.800 0.047 0.000 1.308 180 D HN 0.256 nan 8.370 nan 0.000 0.429 181 K N 1.110 121.507 120.400 -0.004 0.000 2.355 181 K HA 0.218 4.534 4.320 -0.007 0.000 0.270 181 K C 1.504 178.099 176.600 -0.009 0.000 1.003 181 K CA -0.260 56.017 56.287 -0.016 0.000 0.957 181 K CB 0.934 33.433 32.500 -0.001 0.000 0.939 181 K HN 0.281 nan 8.250 nan 0.000 0.482 182 L N 1.446 122.652 121.223 -0.029 0.000 2.081 182 L HA -0.290 4.046 4.340 -0.007 0.000 0.212 182 L C 2.444 179.336 176.870 0.037 0.000 1.080 182 L CA 1.747 56.584 54.840 -0.006 0.000 0.754 182 L CB -0.578 41.473 42.059 -0.013 0.000 0.893 182 L HN 0.775 nan 8.230 nan 0.000 0.433 183 S N -0.815 114.906 115.700 0.035 0.000 2.453 183 S HA -0.136 4.330 4.470 -0.007 0.000 0.231 183 S C 1.705 176.334 174.600 0.049 0.000 1.005 183 S CA 0.665 58.892 58.200 0.045 0.000 0.949 183 S CB -0.168 63.055 63.200 0.038 0.000 0.774 183 S HN 0.424 nan 8.310 nan 0.000 0.510 184 K N 0.493 120.922 120.400 0.048 0.000 2.374 184 K HA 0.367 4.683 4.320 -0.007 0.000 0.196 184 K C -0.157 176.494 176.600 0.086 0.000 1.023 184 K CA -0.207 56.114 56.287 0.056 0.000 1.103 184 K CB 0.083 32.611 32.500 0.047 0.000 0.848 184 K HN 0.379 nan 8.250 nan 0.000 0.528 185 L N 1.896 123.182 121.223 0.105 0.000 2.439 185 L HA 0.057 4.393 4.340 -0.007 0.000 0.269 185 L C 0.651 177.627 176.870 0.177 0.000 1.179 185 L CA -0.564 54.387 54.840 0.185 0.000 0.828 185 L CB 0.163 42.320 42.059 0.164 0.000 1.106 185 L HN 0.152 nan 8.230 nan 0.000 0.467 186 N N 2.380 121.205 118.700 0.209 0.000 2.434 186 N HA -0.059 4.677 4.740 -0.007 0.000 0.268 186 N C 0.465 176.039 175.510 0.107 0.000 1.256 186 N CA 0.457 53.532 53.050 0.042 0.000 0.914 186 N CB 0.707 39.051 38.487 -0.239 0.000 1.088 186 N HN 0.508 nan 8.380 nan 0.000 0.478 187 K N 2.521 122.969 120.400 0.079 0.000 2.525 187 K HA -0.009 4.307 4.320 -0.007 0.000 0.192 187 K C 0.572 177.245 176.600 0.121 0.000 1.029 187 K CA 0.663 57.013 56.287 0.105 0.000 1.029 187 K CB 0.400 32.950 32.500 0.083 0.000 0.814 187 K HN 0.630 nan 8.250 nan 0.000 0.503 188 Q N 0.225 120.066 119.800 0.069 0.000 2.159 188 Q HA 0.132 4.468 4.340 -0.007 0.000 0.217 188 Q C -0.317 175.688 176.000 0.009 0.000 0.818 188 Q CA -0.162 55.668 55.803 0.045 0.000 1.008 188 Q CB 0.933 29.631 28.738 -0.066 0.000 1.148 188 Q HN 0.052 nan 8.270 nan 0.000 0.491 189 R N 0.779 121.326 120.500 0.078 0.000 2.561 189 R HA 0.411 4.747 4.340 -0.007 0.000 0.297 189 R C -1.025 175.429 176.300 0.256 0.000 0.969 189 R CA -0.440 55.705 56.100 0.075 0.000 0.879 189 R CB 1.100 31.321 30.300 -0.132 0.000 1.178 189 R HN 0.028 nan 8.270 nan 0.000 0.445 190 L N 4.306 125.671 121.223 0.237 0.000 2.464 190 L HA 0.307 4.643 4.340 -0.007 0.000 0.264 190 L C 0.142 177.210 176.870 0.330 0.000 1.199 190 L CA 0.094 55.079 54.840 0.241 0.000 0.818 190 L CB 0.693 42.786 42.059 0.056 0.000 1.102 190 L HN 0.562 nan 8.230 nan 0.000 0.473 191 M N 2.346 122.133 119.600 0.311 0.000 2.259 191 M HA 0.388 4.864 4.480 -0.007 0.000 0.304 191 M C -0.722 175.744 176.300 0.277 0.000 1.019 191 M CA -0.505 54.881 55.300 0.145 0.000 0.922 191 M CB 1.917 34.500 32.600 -0.029 0.000 1.600 191 M HN 0.296 nan 8.290 nan 0.000 0.433 192 F N 0.915 121.039 119.950 0.290 0.000 2.380 192 F HA 0.835 5.357 4.527 -0.007 0.000 0.319 192 F C -0.825 175.050 175.800 0.124 0.000 1.113 192 F CA -1.194 56.936 58.000 0.217 0.000 1.056 192 F CB 0.378 39.572 39.000 0.323 0.000 1.289 192 F HN 0.351 nan 8.300 nan 0.000 0.515 193 L N 1.014 122.433 121.223 0.326 0.000 2.360 193 L HA 0.523 4.859 4.340 -0.007 0.000 0.271 193 L C -2.327 174.696 176.870 0.255 0.000 1.057 193 L CA -2.062 52.891 54.840 0.190 0.000 0.803 193 L CB 1.397 43.506 42.059 0.082 0.000 1.207 193 L HN 0.403 nan 8.230 nan 0.000 0.445 194 P HA 0.390 nan 4.420 nan 0.000 0.276 194 P C -1.415 175.934 177.300 0.081 0.000 1.252 194 P CA -0.447 62.707 63.100 0.090 0.000 0.802 194 P CB 0.995 32.727 31.700 0.054 0.000 1.035 195 L N -1.099 120.126 121.223 0.003 0.000 2.415 195 L HA 0.804 5.140 4.340 -0.007 0.000 0.256 195 L C -1.316 175.501 176.870 -0.088 0.000 1.010 195 L CA -0.972 53.843 54.840 -0.042 0.000 0.826 195 L CB 1.314 43.338 42.059 -0.059 0.000 1.405 195 L HN 0.034 nan 8.230 nan 0.000 0.410 196 V N 1.361 121.195 119.914 -0.133 0.000 2.628 196 V HA 0.779 4.895 4.120 -0.007 0.000 0.306 196 V C -0.580 175.417 176.094 -0.160 0.000 1.045 196 V CA -0.654 61.565 62.300 -0.135 0.000 0.905 196 V CB 2.058 33.783 31.823 -0.164 0.000 0.997 196 V HN 0.649 nan 8.190 nan 0.000 0.436 197 V N 2.716 122.533 119.914 -0.161 0.000 2.407 197 V HA 0.353 4.469 4.120 -0.007 0.000 0.291 197 V C -0.450 175.532 176.094 -0.186 0.000 1.018 197 V CA -0.579 61.561 62.300 -0.266 0.000 0.842 197 V CB 1.801 33.297 31.823 -0.544 0.000 0.996 197 V HN 0.907 nan 8.190 nan 0.000 0.426 198 D N 4.243 124.538 120.400 -0.174 0.000 2.344 198 D HA 0.287 4.923 4.640 -0.007 0.000 0.253 198 D C 0.796 177.040 176.300 -0.093 0.000 1.255 198 D CA 0.004 53.935 54.000 -0.116 0.000 0.894 198 D CB 1.910 42.645 40.800 -0.109 0.000 1.067 198 D HN 0.652 nan 8.370 nan 0.000 0.492 199 A N 3.167 125.964 122.820 -0.038 0.000 2.259 199 A HA 0.480 4.796 4.320 -0.007 0.000 0.208 199 A C 1.120 178.710 177.584 0.009 0.000 1.201 199 A CA 0.549 52.593 52.037 0.011 0.000 0.824 199 A CB -0.607 18.437 19.000 0.074 0.000 0.838 199 A HN 0.879 nan 8.150 nan 0.000 0.485 200 G N -0.910 107.882 108.800 -0.013 0.000 2.733 200 G HA2 0.059 4.015 3.960 -0.007 0.000 0.686 200 G HA3 0.059 4.015 3.960 -0.007 0.000 0.686 200 G C -0.243 174.655 174.900 -0.002 0.000 1.373 200 G CA -0.266 44.829 45.100 -0.009 0.000 0.838 200 G HN 0.636 nan 8.290 nan 0.000 0.588 201 D N -0.720 119.678 120.400 -0.004 0.000 2.870 201 D HA -0.102 4.534 4.640 -0.007 0.000 0.228 201 D C 1.774 178.071 176.300 -0.005 0.000 1.147 201 D CA 3.193 57.193 54.000 -0.000 0.000 0.757 201 D CB -1.324 39.481 40.800 0.009 0.000 1.091 201 D HN 2.489 nan 8.370 nan 0.000 0.429 202 G N -1.756 107.033 108.800 -0.019 0.000 2.189 202 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.267 202 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.267 202 G C 0.449 175.334 174.900 -0.025 0.000 0.975 202 G CA 0.436 45.518 45.100 -0.029 0.000 0.644 202 G HN 0.578 nan 8.290 nan 0.000 0.537 203 V N 0.842 120.749 119.914 -0.011 0.000 2.465 203 V HA 0.579 4.695 4.120 -0.007 0.000 0.279 203 V C 0.483 176.574 176.094 -0.006 0.000 1.045 203 V CA 0.000 62.303 62.300 0.004 0.000 0.938 203 V CB 1.574 33.413 31.823 0.026 0.000 0.986 203 V HN 0.328 nan 8.190 nan 0.000 0.467 204 K N 3.192 123.590 120.400 -0.002 0.000 2.426 204 K HA 0.743 5.059 4.320 -0.007 0.000 0.251 204 K C -1.655 174.961 176.600 0.028 0.000 0.941 204 K CA -0.779 55.500 56.287 -0.013 0.000 0.808 204 K CB 2.733 35.201 32.500 -0.054 0.000 1.265 204 K HN 0.380 nan 8.250 nan 0.000 0.432 205 V N 1.680 121.616 119.914 0.038 0.000 2.409 205 V HA 0.257 4.373 4.120 -0.007 0.000 0.291 205 V C -0.801 175.314 176.094 0.035 0.000 1.020 205 V CA -0.857 61.498 62.300 0.091 0.000 0.848 205 V CB 1.387 33.344 31.823 0.223 0.000 0.990 205 V HN 0.889 nan 8.190 nan 0.000 0.430 206 C N 7.593 126.910 119.300 0.028 0.000 2.301 206 C HA 0.663 5.119 4.460 -0.007 0.000 0.323 206 C C -0.103 174.883 174.990 -0.006 0.000 1.265 206 C CA -0.570 58.443 59.018 -0.008 0.000 1.503 206 C CB -0.835 26.900 27.740 -0.009 0.000 2.195 206 C HN 0.812 nan 8.230 nan 0.000 0.477 207 I N 5.827 126.366 120.570 -0.051 0.000 2.353 207 I HA 0.538 4.704 4.170 -0.007 0.000 0.293 207 I C 0.630 176.727 176.117 -0.033 0.000 0.992 207 I CA 0.507 61.752 61.300 -0.093 0.000 1.268 207 I CB 1.722 39.533 38.000 -0.315 0.000 1.387 207 I HN 0.735 nan 8.210 nan 0.000 0.478 208 T N 4.762 119.320 114.554 0.008 0.000 2.661 208 T HA 0.428 4.774 4.350 -0.007 0.000 0.305 208 T C -1.874 172.854 174.700 0.046 0.000 1.441 208 T CA -0.630 61.484 62.100 0.023 0.000 0.999 208 T CB 1.721 70.595 68.868 0.010 0.000 1.650 208 T HN 0.800 nan 8.240 nan 0.000 0.489 209 E N 0.069 120.291 120.200 0.038 0.000 2.429 209 E HA 0.764 5.110 4.350 -0.007 0.000 0.276 209 E C -1.338 175.289 176.600 0.045 0.000 0.953 209 E CA -0.892 55.544 56.400 0.060 0.000 0.787 209 E CB 2.019 31.764 29.700 0.074 0.000 1.307 209 E HN 0.468 nan 8.360 nan 0.000 0.458 210 S N 0.053 115.806 115.700 0.088 0.000 2.607 210 S HA 0.416 4.882 4.470 -0.007 0.000 0.273 210 S C -1.370 173.315 174.600 0.142 0.000 1.148 210 S CA 0.146 58.391 58.200 0.075 0.000 0.833 210 S CB 1.253 64.462 63.200 0.014 0.000 1.130 210 S HN 0.857 nan 8.310 nan 0.000 0.470 211 D N 0.778 121.252 120.400 0.124 0.000 2.718 211 D HA -0.154 4.482 4.640 -0.007 0.000 0.242 211 D C -0.828 175.514 176.300 0.071 0.000 1.123 211 D CA 0.397 54.476 54.000 0.132 0.000 0.690 211 D CB -1.152 39.736 40.800 0.146 0.000 1.059 211 D HN 0.326 nan 8.370 nan 0.000 0.429 212 L N 1.545 122.837 121.223 0.114 0.000 2.423 212 L HA 0.386 4.722 4.340 -0.007 0.000 0.249 212 L C 0.085 176.959 176.870 0.006 0.000 1.276 212 L CA 0.135 55.026 54.840 0.085 0.000 1.199 212 L CB 0.153 42.261 42.059 0.081 0.000 1.407 212 L HN 0.247 nan 8.230 nan 0.000 0.410 213 E N 2.243 122.303 120.200 -0.234 0.000 2.171 213 E HA 0.201 4.547 4.350 -0.007 0.000 0.271 213 E C 0.135 176.615 176.600 -0.200 0.000 0.916 213 E CA -0.711 55.325 56.400 -0.607 0.000 0.774 213 E CB 0.770 29.758 29.700 -1.187 0.000 1.128 213 E HN 0.423 nan 8.360 nan 0.000 0.403 214 N N 3.033 121.679 118.700 -0.091 0.000 2.699 214 N HA -0.281 4.455 4.740 -0.007 0.000 0.256 214 N C -2.204 173.413 175.510 0.180 0.000 0.993 214 N CA 1.216 54.296 53.050 0.050 0.000 0.759 214 N CB -1.092 37.402 38.487 0.012 0.000 0.906 214 N HN 0.568 nan 8.380 nan 0.000 0.541 215 Y N -0.953 119.363 120.300 0.027 0.000 2.474 215 Y HA 0.413 4.960 4.550 -0.006 0.000 0.326 215 Y C -2.584 173.349 175.900 0.054 0.000 1.160 215 Y CA -1.726 56.413 58.100 0.064 0.000 1.056 215 Y CB 1.691 40.205 38.460 0.091 0.000 1.330 215 Y HN 0.017 nan 8.280 nan 0.000 0.447 216 P HA 0.140 nan 4.420 nan 0.000 0.268 216 P C 0.154 177.512 177.300 0.096 0.000 1.204 216 P CA 0.352 63.375 63.100 -0.128 0.000 0.768 216 P CB 0.882 32.461 31.700 -0.200 0.000 0.842 217 G N 3.064 111.862 108.800 -0.004 0.000 2.614 217 G HA2 0.223 4.179 3.960 -0.007 0.000 0.239 217 G HA3 0.223 4.179 3.960 -0.007 0.000 0.239 217 G C -0.579 174.281 174.900 -0.066 0.000 1.240 217 G CA -0.615 44.417 45.100 -0.114 0.000 0.842 217 G HN 0.608 nan 8.290 nan 0.000 0.584 218 L N 1.356 122.507 121.223 -0.119 0.000 2.264 218 L HA 0.515 4.851 4.340 -0.007 0.000 0.289 218 L C -0.903 175.856 176.870 -0.186 0.000 1.044 218 L CA -0.925 53.784 54.840 -0.219 0.000 0.807 218 L CB 0.447 42.533 42.059 0.045 0.000 1.192 218 L HN 0.511 nan 8.230 nan 0.000 0.425 219 Y N 4.312 124.576 120.300 -0.060 0.000 2.453 219 Y HA 0.487 5.034 4.550 -0.006 0.000 0.326 219 Y C -0.263 175.677 175.900 0.067 0.000 1.186 219 Y CA -0.703 57.455 58.100 0.097 0.000 1.200 219 Y CB 1.638 40.203 38.460 0.174 0.000 1.247 219 Y HN 0.381 nan 8.280 nan 0.000 0.482 220 L N 1.305 122.693 121.223 0.274 0.000 2.334 220 L HA 0.612 4.948 4.340 -0.007 0.000 0.273 220 L C -0.314 176.667 176.870 0.185 0.000 1.013 220 L CA -0.337 54.623 54.840 0.201 0.000 0.816 220 L CB 1.913 44.063 42.059 0.152 0.000 1.278 220 L HN 0.628 nan 8.230 nan 0.000 0.431 221 S N 1.183 116.977 115.700 0.157 0.000 2.570 221 S HA 0.822 5.288 4.470 -0.007 0.000 0.286 221 S C 0.022 174.707 174.600 0.142 0.000 1.099 221 S CA 0.099 58.380 58.200 0.135 0.000 0.913 221 S CB 1.769 65.005 63.200 0.059 0.000 1.085 221 S HN 0.714 nan 8.310 nan 0.000 0.480 222 A N 2.084 124.992 122.820 0.146 0.000 2.503 222 A HA 0.300 4.616 4.320 -0.007 0.000 0.263 222 A C 1.620 179.275 177.584 0.118 0.000 1.258 222 A CA 0.548 52.667 52.037 0.136 0.000 0.936 222 A CB -0.631 18.451 19.000 0.138 0.000 1.070 222 A HN 1.221 nan 8.150 nan 0.000 0.522 223 S N 0.566 116.334 115.700 0.114 0.000 2.469 223 S HA -0.100 4.366 4.470 -0.007 0.000 0.238 223 S C 0.577 175.227 174.600 0.084 0.000 0.998 223 S CA 0.848 59.110 58.200 0.103 0.000 0.957 223 S CB -0.410 62.854 63.200 0.108 0.000 0.764 223 S HN 0.781 nan 8.310 nan 0.000 0.514 224 E N -0.696 119.554 120.200 0.082 0.000 2.383 224 E HA 0.593 4.939 4.350 -0.007 0.000 0.275 224 E C 0.160 176.806 176.600 0.076 0.000 0.918 224 E CA -0.914 55.529 56.400 0.071 0.000 0.764 224 E CB 1.259 30.995 29.700 0.060 0.000 1.252 224 E HN 0.434 nan 8.360 nan 0.000 0.449 225 G N 0.402 109.241 108.800 0.064 0.000 2.855 225 G HA2 0.168 4.123 3.960 -0.007 0.000 0.352 225 G HA3 0.168 4.123 3.960 -0.007 0.000 0.352 225 G C -0.486 174.458 174.900 0.073 0.000 1.415 225 G CA -0.384 44.754 45.100 0.064 0.000 0.871 225 G HN 1.141 nan 8.290 nan 0.000 0.543 226 A N 0.198 123.061 122.820 0.072 0.000 2.318 226 A HA 0.744 5.060 4.320 -0.007 0.000 0.324 226 A C 0.827 178.473 177.584 0.103 0.000 1.170 226 A CA 0.515 52.598 52.037 0.077 0.000 0.810 226 A CB 0.603 19.639 19.000 0.061 0.000 1.198 226 A HN 1.939 nan 8.150 nan 0.000 0.484 227 N N 0.258 119.028 118.700 0.118 0.000 2.725 227 N HA -0.155 4.581 4.740 -0.007 0.000 0.249 227 N C -0.183 175.489 175.510 0.270 0.000 1.103 227 N CA 1.586 54.738 53.050 0.171 0.000 0.707 227 N CB -0.793 37.794 38.487 0.168 0.000 1.043 227 N HN 0.856 nan 8.380 nan 0.000 0.553 228 R N 0.423 121.056 120.500 0.222 0.000 2.628 228 R HA 0.583 4.919 4.340 -0.007 0.000 0.288 228 R C -1.027 175.422 176.300 0.249 0.000 0.980 228 R CA -0.586 55.659 56.100 0.243 0.000 0.891 228 R CB 1.183 31.570 30.300 0.144 0.000 1.188 228 R HN 0.090 nan 8.270 nan 0.000 0.450 229 L N 2.845 124.261 121.223 0.322 0.000 2.305 229 L HA 0.421 4.757 4.340 -0.007 0.000 0.284 229 L C -0.423 176.621 176.870 0.290 0.000 1.013 229 L CA -0.591 54.425 54.840 0.294 0.000 0.819 229 L CB 2.130 44.389 42.059 0.335 0.000 1.227 229 L HN 0.631 nan 8.230 nan 0.000 0.417 230 S N 0.754 116.581 115.700 0.210 0.000 2.593 230 S HA 0.523 4.989 4.470 -0.007 0.000 0.297 230 S C -0.100 174.609 174.600 0.183 0.000 1.112 230 S CA -0.761 57.548 58.200 0.181 0.000 1.043 230 S CB 1.913 65.183 63.200 0.116 0.000 1.054 230 S HN 0.686 nan 8.310 nan 0.000 0.516 231 S N 1.891 117.702 115.700 0.185 0.000 2.610 231 S HA 0.741 5.207 4.470 -0.007 0.000 0.273 231 S C -0.464 174.192 174.600 0.093 0.000 1.274 231 S CA -0.691 57.603 58.200 0.157 0.000 1.023 231 S CB 0.413 63.742 63.200 0.214 0.000 0.962 231 S HN 0.678 nan 8.310 nan 0.000 0.523 232 M N 1.834 121.451 119.600 0.028 0.000 2.371 232 M HA 0.376 4.852 4.480 -0.007 0.000 0.287 232 M C -1.852 174.440 176.300 -0.013 0.000 1.149 232 M CA -0.323 55.009 55.300 0.054 0.000 0.929 232 M CB 2.469 35.087 32.600 0.030 0.000 1.683 232 M HN 0.958 nan 8.290 nan 0.000 0.470 233 H N 0.425 119.572 119.070 0.128 0.000 2.637 233 H HA 0.665 5.217 4.556 -0.007 0.000 0.363 233 H C -0.329 174.784 175.328 -0.357 0.000 1.131 233 H CA -0.545 55.516 56.048 0.021 0.000 1.183 233 H CB 1.824 31.542 29.762 -0.074 0.000 1.637 233 H HN 0.776 nan 8.280 nan 0.000 0.531 234 A N 4.067 126.569 122.820 -0.529 0.000 2.488 234 A HA 0.271 4.587 4.320 -0.007 0.000 0.249 234 A C -2.148 175.094 177.584 -0.571 0.000 1.083 234 A CA -1.126 50.147 52.037 -1.272 0.000 0.768 234 A CB -0.371 18.121 19.000 -0.846 0.000 1.017 234 A HN 0.512 nan 8.150 nan 0.000 0.496 235 P HA 0.022 nan 4.420 nan 0.000 0.272 235 P C -0.639 176.558 177.300 -0.172 0.000 1.230 235 P CA -0.029 62.906 63.100 -0.275 0.000 0.788 235 P CB 0.378 31.877 31.700 -0.334 0.000 0.949 236 Y N 3.685 123.853 120.300 -0.221 0.000 2.610 236 Y HA 0.076 4.621 4.550 -0.007 0.000 0.332 236 Y C -1.611 174.210 175.900 -0.131 0.000 1.201 236 Y CA -1.297 56.707 58.100 -0.159 0.000 1.465 236 Y CB -0.024 38.344 38.460 -0.152 0.000 1.283 236 Y HN 0.281 nan 8.280 nan 0.000 0.563 237 P HA 0.025 nan 4.420 nan 0.000 0.271 237 P C -0.649 176.625 177.300 -0.044 0.000 1.220 237 P CA 0.012 62.984 63.100 -0.213 0.000 0.768 237 P CB 1.579 33.113 31.700 -0.276 0.000 0.848 238 K N 3.495 123.895 120.400 -0.000 0.000 2.190 238 K HA 0.076 4.392 4.320 -0.007 0.000 0.202 238 K C 0.731 177.333 176.600 0.003 0.000 1.045 238 K CA 0.254 56.555 56.287 0.024 0.000 0.976 238 K CB 0.464 32.947 32.500 -0.028 0.000 0.849 238 K HN 0.297 nan 8.250 nan 0.000 0.468 239 R N 0.753 121.236 120.500 -0.028 0.000 2.532 239 R HA 0.246 4.582 4.340 -0.007 0.000 0.297 239 R C -1.672 174.597 176.300 -0.052 0.000 0.984 239 R CA -0.338 55.742 56.100 -0.034 0.000 0.884 239 R CB 2.159 32.433 30.300 -0.042 0.000 1.182 239 R HN -0.076 nan 8.270 nan 0.000 0.442 240 T N 3.079 117.602 114.554 -0.051 0.000 2.863 240 T HA 0.458 4.804 4.350 -0.007 0.000 0.285 240 T C -1.551 173.101 174.700 -0.080 0.000 1.009 240 T CA -0.487 61.571 62.100 -0.071 0.000 0.989 240 T CB 1.716 70.550 68.868 -0.058 0.000 1.004 240 T HN 0.327 nan 8.240 nan 0.000 0.455 241 V N 3.422 123.273 119.914 -0.106 0.000 2.789 241 V HA 0.520 4.636 4.120 -0.007 0.000 0.311 241 V C -0.569 175.438 176.094 -0.146 0.000 1.073 241 V CA -0.864 61.368 62.300 -0.113 0.000 0.921 241 V CB 2.088 33.854 31.823 -0.096 0.000 1.009 241 V HN 0.933 nan 8.190 nan 0.000 0.426 242 Q N 3.457 123.152 119.800 -0.175 0.000 2.313 242 Q HA 0.575 4.911 4.340 -0.007 0.000 0.266 242 Q C 0.085 176.011 176.000 -0.124 0.000 0.989 242 Q CA 0.877 56.550 55.803 -0.217 0.000 0.890 242 Q CB 1.071 29.640 28.738 -0.281 0.000 1.200 242 Q HN 1.153 nan 8.270 nan 0.000 0.396 243 G N 1.612 110.359 108.800 -0.088 0.000 2.435 243 G HA2 0.483 4.439 3.960 -0.007 0.000 0.228 243 G HA3 0.483 4.439 3.960 -0.007 0.000 0.228 243 G C -0.101 174.808 174.900 0.014 0.000 1.198 243 G CA 0.116 45.190 45.100 -0.043 0.000 0.948 243 G HN 1.195 nan 8.290 nan 0.000 0.487 244 G N -0.565 108.265 108.800 0.050 0.000 2.601 244 G HA2 0.031 3.987 3.960 -0.007 0.000 0.261 244 G HA3 0.031 3.987 3.960 -0.007 0.000 0.261 244 G C 0.224 175.179 174.900 0.091 0.000 1.289 244 G CA 1.061 46.250 45.100 0.148 0.000 0.920 244 G HN 2.180 nan 8.290 nan 0.000 0.571 245 H N 2.000 121.061 119.070 -0.016 0.000 3.257 245 H HA 0.153 4.705 4.556 -0.007 0.000 0.256 245 H C 1.508 176.731 175.328 -0.175 0.000 0.885 245 H CA 1.344 57.267 56.048 -0.208 0.000 1.406 245 H CB -0.575 28.760 29.762 -0.712 0.000 1.506 245 H HN 0.691 nan 8.280 nan 0.000 0.527 246 N N 4.627 123.074 118.700 -0.422 0.000 2.710 246 N HA -0.251 4.485 4.740 -0.007 0.000 0.249 246 N C -0.415 175.024 175.510 -0.118 0.000 1.059 246 N CA 1.290 54.163 53.050 -0.296 0.000 0.720 246 N CB -0.590 37.657 38.487 -0.401 0.000 0.983 246 N HN 0.784 nan 8.380 nan 0.000 0.544 247 Q N -2.991 116.770 119.800 -0.064 0.000 2.494 247 Q HA -0.196 4.140 4.340 -0.007 0.000 0.266 247 Q C 0.833 176.857 176.000 0.039 0.000 1.053 247 Q CA 0.947 56.741 55.803 -0.015 0.000 1.029 247 Q CB -1.888 26.839 28.738 -0.019 0.000 1.423 247 Q HN 0.672 nan 8.270 nan 0.000 0.516 248 L N -0.664 120.600 121.223 0.068 0.000 2.640 248 L HA 0.124 4.460 4.340 -0.007 0.000 0.230 248 L C 0.906 177.911 176.870 0.225 0.000 1.123 248 L CA 0.301 55.230 54.840 0.149 0.000 0.900 248 L CB 0.295 42.448 42.059 0.157 0.000 1.146 248 L HN 0.134 nan 8.230 nan 0.000 0.484 249 Q N 0.327 120.235 119.800 0.179 0.000 2.301 249 Q HA 0.518 4.854 4.340 -0.007 0.000 0.267 249 Q C -0.706 175.347 176.000 0.089 0.000 1.035 249 Q CA -0.761 55.181 55.803 0.231 0.000 0.856 249 Q CB 2.615 31.519 28.738 0.277 0.000 1.337 249 Q HN -0.008 nan 8.270 nan 0.000 0.450 250 M N 2.750 122.419 119.600 0.114 0.000 2.043 250 M HA 0.335 4.811 4.480 -0.007 0.000 0.322 250 M C -1.341 174.897 176.300 -0.104 0.000 0.962 250 M CA -0.820 54.469 55.300 -0.017 0.000 0.927 250 M CB 0.608 33.263 32.600 0.091 0.000 1.466 250 M HN 0.415 nan 8.290 nan 0.000 0.412 251 L N 3.379 124.479 121.223 -0.206 0.000 2.312 251 L HA 0.437 4.773 4.340 -0.007 0.000 0.281 251 L C 0.202 176.921 176.870 -0.251 0.000 1.070 251 L CA -0.366 54.245 54.840 -0.382 0.000 0.805 251 L CB 0.940 42.702 42.059 -0.496 0.000 1.174 251 L HN 0.333 nan 8.230 nan 0.000 0.434 252 V N 4.531 124.304 119.914 -0.234 0.000 2.405 252 V HA 0.160 4.276 4.120 -0.007 0.000 0.264 252 V C 1.130 177.166 176.094 -0.095 0.000 1.048 252 V CA -0.311 61.918 62.300 -0.118 0.000 0.966 252 V CB 0.394 32.185 31.823 -0.053 0.000 1.015 252 V HN 0.694 nan 8.190 nan 0.000 0.477 253 K N 2.870 123.222 120.400 -0.080 0.000 2.308 253 K HA 0.296 4.612 4.320 -0.007 0.000 0.197 253 K C 0.487 177.060 176.600 -0.045 0.000 1.049 253 K CA 0.488 56.737 56.287 -0.064 0.000 0.991 253 K CB 0.766 33.222 32.500 -0.073 0.000 0.836 253 K HN 0.681 nan 8.250 nan 0.000 0.500 254 E N 0.169 120.337 120.200 -0.052 0.000 2.367 254 E HA 0.253 4.599 4.350 -0.007 0.000 0.273 254 E C -1.236 175.324 176.600 -0.066 0.000 0.903 254 E CA -0.693 55.642 56.400 -0.108 0.000 0.764 254 E CB 1.954 31.585 29.700 -0.116 0.000 1.252 254 E HN 0.189 nan 8.360 nan 0.000 0.446 255 H N -0.966 118.076 119.070 -0.047 0.000 2.821 255 H HA 0.439 4.992 4.556 -0.006 0.000 0.373 255 H C -0.549 174.709 175.328 -0.116 0.000 1.165 255 H CA -0.996 55.005 56.048 -0.078 0.000 1.154 255 H CB 0.998 30.722 29.762 -0.063 0.000 1.765 255 H HN 0.138 nan 8.280 nan 0.000 0.549 256 E N 0.526 120.695 120.200 -0.052 0.000 2.405 256 E HA 0.065 4.411 4.350 -0.007 0.000 0.253 256 E C -0.213 176.276 176.600 -0.184 0.000 1.257 256 E CA -0.323 55.898 56.400 -0.298 0.000 0.960 256 E CB 0.483 29.604 29.700 -0.965 0.000 1.077 256 E HN 0.690 nan 8.360 nan 0.000 0.512 257 D N 0.376 120.648 120.400 -0.213 0.000 2.894 257 D HA 0.154 4.790 4.640 -0.007 0.000 0.248 257 D C -0.552 175.794 176.300 0.077 0.000 1.291 257 D CA 0.161 54.163 54.000 0.003 0.000 0.840 257 D CB -0.345 40.502 40.800 0.079 0.000 1.044 257 D HN 0.258 nan 8.370 nan 0.000 0.484 258 Y N -2.340 117.979 120.300 0.032 0.000 2.713 258 Y HA 0.338 4.885 4.550 -0.006 0.000 0.335 258 Y C 0.449 176.339 175.900 -0.017 0.000 1.222 258 Y CA -1.236 56.849 58.100 -0.025 0.000 1.061 258 Y CB 0.421 38.846 38.460 -0.059 0.000 1.314 258 Y HN -0.177 nan 8.280 nan 0.000 0.453 259 I N -1.107 119.543 120.570 0.133 0.000 4.187 259 I HA 0.873 5.039 4.170 -0.007 0.000 0.326 259 I C 0.274 176.413 176.117 0.036 0.000 1.302 259 I CA 0.150 61.450 61.300 0.000 0.000 1.196 259 I CB 0.921 38.820 38.000 -0.167 0.000 1.095 259 I HN 0.694 nan 8.210 nan 0.000 0.411 260 A N 1.181 124.063 122.820 0.103 0.000 2.566 260 A HA 0.639 4.954 4.320 -0.007 0.000 0.297 260 A C -1.279 176.279 177.584 -0.043 0.000 1.059 260 A CA -0.722 51.347 52.037 0.054 0.000 0.691 260 A CB 1.348 20.301 19.000 -0.077 0.000 1.282 260 A HN 0.153 nan 8.150 nan 0.000 0.401 261 K N 0.977 121.310 120.400 -0.112 0.000 2.185 261 K HA 0.656 4.972 4.320 -0.007 0.000 0.269 261 K C -1.166 175.301 176.600 -0.221 0.000 0.987 261 K CA -0.587 55.539 56.287 -0.268 0.000 0.865 261 K CB 2.118 34.421 32.500 -0.329 0.000 1.090 261 K HN 0.393 nan 8.250 nan 0.000 0.450 262 V N 2.626 122.288 119.914 -0.420 0.000 2.531 262 V HA 0.143 4.259 4.120 -0.007 0.000 0.301 262 V C -0.503 175.300 176.094 -0.486 0.000 1.034 262 V CA -0.698 61.309 62.300 -0.488 0.000 0.865 262 V CB 1.619 32.942 31.823 -0.832 0.000 0.995 262 V HN 0.946 nan 8.190 nan 0.000 0.424 263 D N 1.880 122.121 120.400 -0.265 0.000 2.540 263 D HA 0.264 4.900 4.640 -0.007 0.000 0.229 263 D C -0.063 176.184 176.300 -0.089 0.000 1.250 263 D CA -0.285 53.615 54.000 -0.166 0.000 0.817 263 D CB 0.402 41.135 40.800 -0.112 0.000 1.060 263 D HN 0.667 nan 8.370 nan 0.000 0.508 264 K N -1.888 118.459 120.400 -0.088 0.000 2.642 264 K HA 0.499 4.815 4.320 -0.007 0.000 0.290 264 K C -3.388 173.202 176.600 -0.017 0.000 1.006 264 K CA -1.884 54.386 56.287 -0.030 0.000 0.869 264 K CB 0.581 33.061 32.500 -0.034 0.000 1.499 264 K HN -0.342 nan 8.250 nan 0.000 0.403 265 P HA 0.050 nan 4.420 nan 0.000 0.266 265 P C -1.244 176.016 177.300 -0.067 0.000 1.195 265 P CA 0.089 63.200 63.100 0.018 0.000 0.768 265 P CB 0.397 32.110 31.700 0.023 0.000 0.838 266 R N 0.528 120.950 120.500 -0.130 0.000 2.728 266 R HA 0.425 4.761 4.340 -0.007 0.000 0.274 266 R C -1.401 174.680 176.300 -0.367 0.000 1.032 266 R CA -1.011 54.932 56.100 -0.261 0.000 0.866 266 R CB 0.895 30.971 30.300 -0.374 0.000 1.263 266 R HN 0.195 nan 8.270 nan 0.000 0.475 267 N N -0.122 118.363 118.700 -0.359 0.000 2.508 267 N HA 0.426 5.161 4.740 -0.007 0.000 0.285 267 N C -1.266 173.920 175.510 -0.540 0.000 1.144 267 N CA -0.443 52.400 53.050 -0.345 0.000 0.978 267 N CB 0.864 39.201 38.487 -0.250 0.000 1.180 267 N HN 0.185 nan 8.380 nan 0.000 0.484 268 F N 0.499 120.305 119.950 -0.239 0.000 2.497 268 F HA 0.465 4.988 4.527 -0.007 0.000 0.331 268 F C -1.858 173.707 175.800 -0.391 0.000 1.060 268 F CA -2.112 55.675 58.000 -0.354 0.000 0.989 268 F CB 1.048 39.835 39.000 -0.356 0.000 1.245 268 F HN 0.236 nan 8.300 nan 0.000 0.486 269 P HA -0.104 nan 4.420 nan 0.000 0.267 269 P C -1.160 176.050 177.300 -0.151 0.000 1.200 269 P CA 0.054 63.089 63.100 -0.108 0.000 0.772 269 P CB 0.327 32.020 31.700 -0.012 0.000 0.855 270 W N 2.788 124.013 121.300 -0.125 0.000 2.218 270 W HA 0.263 4.919 4.660 -0.007 0.000 0.326 270 W C 0.692 177.070 176.519 -0.234 0.000 1.276 270 W CA 0.027 57.246 57.345 -0.210 0.000 1.210 270 W CB 0.406 29.768 29.460 -0.163 0.000 1.143 270 W HN 0.110 nan 8.180 nan 0.000 0.563 271 R N 3.461 123.854 120.500 -0.178 0.000 2.239 271 R HA 0.420 4.756 4.340 -0.007 0.000 0.332 271 R C -0.790 175.520 176.300 0.018 0.000 0.988 271 R CA -0.304 55.705 56.100 -0.152 0.000 0.859 271 R CB 0.182 30.188 30.300 -0.489 0.000 1.148 271 R HN 0.373 nan 8.270 nan 0.000 0.482 272 I N 1.561 122.199 120.570 0.113 0.000 2.359 272 I HA 0.473 4.639 4.170 -0.007 0.000 0.294 272 I C 0.088 176.306 176.117 0.169 0.000 0.987 272 I CA -0.806 60.561 61.300 0.111 0.000 1.225 272 I CB 2.004 40.013 38.000 0.016 0.000 1.366 272 I HN 0.543 nan 8.210 nan 0.000 0.466 273 A N 6.877 129.830 122.820 0.222 0.000 2.508 273 A HA 0.561 4.877 4.320 -0.007 0.000 0.336 273 A C -0.390 177.290 177.584 0.161 0.000 1.360 273 A CA -0.478 51.704 52.037 0.242 0.000 0.841 273 A CB 0.326 19.577 19.000 0.419 0.000 1.136 273 A HN 0.464 nan 8.150 nan 0.000 0.489 274 V N 2.432 122.400 119.914 0.090 0.000 2.572 274 V HA 0.226 4.342 4.120 -0.007 0.000 0.291 274 V C 0.116 176.259 176.094 0.081 0.000 1.039 274 V CA 0.191 62.526 62.300 0.058 0.000 1.055 274 V CB 1.140 32.974 31.823 0.018 0.000 0.969 274 V HN 0.531 nan 8.190 nan 0.000 0.482 275 V N 4.702 124.666 119.914 0.084 0.000 2.483 275 V HA 0.687 4.803 4.120 -0.007 0.000 0.297 275 V C -0.001 176.131 176.094 0.064 0.000 1.027 275 V CA -0.394 61.958 62.300 0.086 0.000 0.855 275 V CB 2.058 33.947 31.823 0.110 0.000 0.995 275 V HN 1.046 nan 8.190 nan 0.000 0.424 276 T N -0.599 113.984 114.554 0.048 0.000 2.903 276 T HA 0.486 4.832 4.350 -0.007 0.000 0.299 276 T C 0.557 175.273 174.700 0.027 0.000 1.093 276 T CA 0.126 62.248 62.100 0.037 0.000 1.002 276 T CB 1.990 70.875 68.868 0.029 0.000 1.127 276 T HN 0.679 nan 8.240 nan 0.000 0.488 277 T N -1.992 112.577 114.554 0.025 0.000 3.022 277 T HA 0.306 4.652 4.350 -0.007 0.000 0.250 277 T C 0.833 175.537 174.700 0.006 0.000 1.060 277 T CA 0.536 62.647 62.100 0.017 0.000 1.013 277 T CB -0.262 68.620 68.868 0.024 0.000 0.982 277 T HN 1.090 nan 8.240 nan 0.000 0.508 278 T N -1.023 113.536 114.554 0.007 0.000 2.893 278 T HA 0.483 4.829 4.350 -0.007 0.000 0.293 278 T C -0.334 174.365 174.700 -0.002 0.000 1.027 278 T CA -0.700 61.399 62.100 -0.001 0.000 0.988 278 T CB 2.107 70.983 68.868 0.014 0.000 1.043 278 T HN -0.244 nan 8.240 nan 0.000 0.461 279 D N 1.028 121.406 120.400 -0.037 0.000 2.178 279 D HA -0.089 4.547 4.640 -0.007 0.000 0.201 279 D C 2.063 178.468 176.300 0.175 0.000 0.980 279 D CA 1.339 55.320 54.000 -0.031 0.000 0.842 279 D CB 0.028 40.652 40.800 -0.292 0.000 0.948 279 D HN 0.863 nan 8.370 nan 0.000 0.472 280 K N 0.651 121.123 120.400 0.120 0.000 2.097 280 K HA -0.140 4.176 4.320 -0.007 0.000 0.206 280 K C 1.141 177.772 176.600 0.052 0.000 1.049 280 K CA 1.315 57.664 56.287 0.103 0.000 0.933 280 K CB -0.084 32.444 32.500 0.048 0.000 0.717 280 K HN -0.053 nan 8.250 nan 0.000 0.442 281 D N 1.225 121.652 120.400 0.045 0.000 2.219 281 D HA -0.097 4.539 4.640 -0.007 0.000 0.205 281 D C 1.904 178.219 176.300 0.026 0.000 0.970 281 D CA 0.654 54.669 54.000 0.025 0.000 0.851 281 D CB 0.010 40.827 40.800 0.028 0.000 0.943 281 D HN 0.229 nan 8.370 nan 0.000 0.488 282 L N 0.634 121.896 121.223 0.065 0.000 2.044 282 L HA -0.096 4.240 4.340 -0.007 0.000 0.205 282 L C 2.251 179.140 176.870 0.031 0.000 1.075 282 L CA 1.097 55.979 54.840 0.070 0.000 0.747 282 L CB -0.206 41.932 42.059 0.133 0.000 0.903 282 L HN -0.055 nan 8.230 nan 0.000 0.435 283 A N -0.455 122.378 122.820 0.021 0.000 2.019 283 A HA -0.124 4.192 4.320 -0.007 0.000 0.219 283 A C 2.178 179.664 177.584 -0.163 0.000 1.164 283 A CA 1.627 53.541 52.037 -0.204 0.000 0.644 283 A CB -0.532 18.181 19.000 -0.477 0.000 0.805 283 A HN 0.553 nan 8.150 nan 0.000 0.449 284 A N -1.607 121.153 122.820 -0.101 0.000 2.147 284 A HA 0.275 4.591 4.320 -0.007 0.000 0.211 284 A C 1.385 178.919 177.584 -0.083 0.000 1.160 284 A CA 0.887 52.860 52.037 -0.107 0.000 0.781 284 A CB -0.684 18.265 19.000 -0.084 0.000 0.842 284 A HN 0.359 nan 8.150 nan 0.000 0.475 285 T N 1.167 115.688 114.554 -0.056 0.000 2.933 285 T HA -0.008 4.338 4.350 -0.007 0.000 0.306 285 T C 0.605 175.273 174.700 -0.053 0.000 1.045 285 T CA 0.366 62.434 62.100 -0.052 0.000 1.143 285 T CB -0.121 68.719 68.868 -0.047 0.000 1.003 285 T HN 0.388 nan 8.240 nan 0.000 0.540 286 N N 4.340 123.006 118.700 -0.057 0.000 2.203 286 N HA 0.135 4.871 4.740 -0.007 0.000 0.207 286 N C 1.722 177.206 175.510 -0.042 0.000 1.130 286 N CA -0.046 52.999 53.050 -0.007 0.000 0.861 286 N CB 0.170 38.657 38.487 -0.001 0.000 1.005 286 N HN 0.585 nan 8.380 nan 0.000 0.507 287 L N 0.151 121.275 121.223 -0.166 0.000 2.081 287 L HA -0.204 4.132 4.340 -0.007 0.000 0.212 287 L C 2.433 179.176 176.870 -0.211 0.000 1.080 287 L CA 1.114 55.765 54.840 -0.314 0.000 0.754 287 L CB -0.449 41.393 42.059 -0.361 0.000 0.893 287 L HN 0.155 nan 8.230 nan 0.000 0.433 288 S N -1.016 114.629 115.700 -0.092 0.000 2.356 288 S HA -0.251 4.215 4.470 -0.007 0.000 0.223 288 S C 2.014 176.588 174.600 -0.043 0.000 1.032 288 S CA 1.237 59.398 58.200 -0.065 0.000 1.005 288 S CB -0.308 62.875 63.200 -0.029 0.000 0.867 288 S HN 0.471 nan 8.310 nan 0.000 0.449 289 Y N 1.683 121.934 120.300 -0.080 0.000 2.220 289 Y HA 0.083 4.629 4.550 -0.007 0.000 0.291 289 Y C 1.925 177.782 175.900 -0.072 0.000 1.129 289 Y CA 1.423 59.480 58.100 -0.073 0.000 1.161 289 Y CB -0.270 38.203 38.460 0.023 0.000 0.997 289 Y HN 0.226 nan 8.280 nan 0.000 0.522 290 L N -0.391 120.885 121.223 0.089 0.000 2.131 290 L HA -0.221 4.115 4.340 -0.007 0.000 0.210 290 L C 1.723 178.498 176.870 -0.158 0.000 1.092 290 L CA 1.110 55.945 54.840 -0.008 0.000 0.759 290 L CB -0.423 41.582 42.059 -0.090 0.000 0.903 290 L HN 0.253 nan 8.230 nan 0.000 0.435 291 L N -0.524 120.537 121.223 -0.270 0.000 2.611 291 L HA 0.202 4.538 4.340 -0.007 0.000 0.229 291 L C 1.143 177.944 176.870 -0.115 0.000 1.137 291 L CA -0.522 54.084 54.840 -0.391 0.000 0.901 291 L CB -0.422 41.213 42.059 -0.706 0.000 1.098 291 L HN 0.117 nan 8.230 nan 0.000 0.456 292 G N 0.061 108.784 108.800 -0.128 0.000 2.448 292 G HA2 0.521 4.477 3.960 -0.007 0.000 0.285 292 G HA3 0.521 4.477 3.960 -0.007 0.000 0.285 292 G C 0.009 174.880 174.900 -0.047 0.000 1.176 292 G CA -0.217 44.832 45.100 -0.085 0.000 0.852 292 G HN 0.199 nan 8.290 nan 0.000 0.530 293 A N 2.373 125.204 122.820 0.018 0.000 2.498 293 A HA 0.511 4.827 4.320 -0.007 0.000 0.239 293 A C -1.876 175.673 177.584 -0.058 0.000 1.068 293 A CA -0.730 51.317 52.037 0.017 0.000 0.766 293 A CB -0.095 18.936 19.000 0.050 0.000 1.003 293 A HN 0.501 nan 8.150 nan 0.000 0.497 294 P HA 0.017 nan 4.420 nan 0.000 0.267 294 P C 0.269 177.501 177.300 -0.113 0.000 1.201 294 P CA 0.108 63.169 63.100 -0.067 0.000 0.775 294 P CB 0.430 32.116 31.700 -0.024 0.000 0.854 295 S N 1.758 117.390 115.700 -0.114 0.000 2.558 295 S HA -0.006 4.460 4.470 -0.007 0.000 0.288 295 S C 0.718 175.222 174.600 -0.160 0.000 1.318 295 S CA 0.114 58.224 58.200 -0.149 0.000 1.056 295 S CB -0.212 62.941 63.200 -0.077 0.000 0.853 295 S HN 0.282 nan 8.310 nan 0.000 0.505 296 R N 2.855 123.194 120.500 -0.268 0.000 2.546 296 R HA 0.305 4.641 4.340 -0.007 0.000 0.320 296 R C -0.523 175.728 176.300 -0.081 0.000 1.021 296 R CA 0.037 56.018 56.100 -0.198 0.000 1.088 296 R CB 0.262 30.374 30.300 -0.314 0.000 1.278 296 R HN 0.543 nan 8.270 nan 0.000 0.557 297 M N -0.097 119.474 119.600 -0.048 0.000 2.321 297 M HA 0.204 4.680 4.480 -0.007 0.000 0.315 297 M C 0.839 177.162 176.300 0.039 0.000 1.052 297 M CA -0.405 54.925 55.300 0.050 0.000 0.936 297 M CB 2.248 34.906 32.600 0.096 0.000 1.639 297 M HN -0.022 nan 8.290 nan 0.000 0.433 298 S N 0.089 115.827 115.700 0.063 0.000 2.404 298 S HA 0.034 4.500 4.470 -0.007 0.000 0.223 298 S C 0.356 174.990 174.600 0.057 0.000 1.040 298 S CA 0.324 58.553 58.200 0.048 0.000 0.957 298 S CB -0.035 63.193 63.200 0.048 0.000 0.826 298 S HN 0.745 nan 8.310 nan 0.000 0.491 299 D N 0.558 121.019 120.400 0.103 0.000 2.317 299 D HA 0.427 5.063 4.640 -0.007 0.000 0.234 299 D C 0.247 176.576 176.300 0.048 0.000 1.112 299 D CA -0.358 53.711 54.000 0.116 0.000 0.840 299 D CB 0.835 41.756 40.800 0.202 0.000 1.078 299 D HN 0.240 nan 8.370 nan 0.000 0.486 300 L N 2.773 123.967 121.223 -0.049 0.000 2.766 300 L HA 0.083 4.419 4.340 -0.007 0.000 0.242 300 L C 2.090 178.838 176.870 -0.203 0.000 1.136 300 L CA -0.020 54.704 54.840 -0.194 0.000 0.933 300 L CB 0.033 42.077 42.059 -0.025 0.000 1.241 300 L HN 0.410 nan 8.230 nan 0.000 0.522 301 S N 0.792 116.456 115.700 -0.060 0.000 2.440 301 S HA -0.189 4.277 4.470 -0.007 0.000 0.238 301 S C 1.622 176.258 174.600 0.061 0.000 1.010 301 S CA 0.934 59.149 58.200 0.025 0.000 0.972 301 S CB -0.518 62.732 63.200 0.083 0.000 0.774 301 S HN 0.733 nan 8.310 nan 0.000 0.501 302 W N 0.998 122.329 121.300 0.052 0.000 3.197 302 W HA 0.449 5.105 4.660 -0.007 0.000 0.274 302 W C -0.083 176.435 176.519 -0.001 0.000 1.297 302 W CA -0.881 56.479 57.345 0.025 0.000 1.662 302 W CB -0.523 28.947 29.460 0.017 0.000 1.106 302 W HN 0.130 nan 8.180 nan 0.000 0.663 303 I N 3.210 123.448 120.570 -0.553 0.000 2.452 303 I HA 0.097 4.263 4.170 -0.007 0.000 0.287 303 I C 0.249 176.162 176.117 -0.340 0.000 1.079 303 I CA 0.461 61.379 61.300 -0.637 0.000 1.387 303 I CB 0.692 38.067 38.000 -1.042 0.000 1.404 303 I HN -0.225 nan 8.210 nan 0.000 0.522 304 K N 9.530 129.829 120.400 -0.168 0.000 2.449 304 K HA 0.448 4.764 4.320 -0.007 0.000 0.257 304 K C -2.478 174.127 176.600 0.008 0.000 0.989 304 K CA -1.665 54.593 56.287 -0.048 0.000 0.916 304 K CB 1.357 33.887 32.500 0.050 0.000 1.136 304 K HN 0.257 nan 8.250 nan 0.000 0.439 305 P HA 0.392 nan 4.420 nan 0.000 0.274 305 P C -0.158 177.232 177.300 0.151 0.000 1.256 305 P CA -0.073 63.050 63.100 0.037 0.000 0.795 305 P CB 1.407 33.114 31.700 0.011 0.000 1.038 306 G N -0.260 108.672 108.800 0.219 0.000 2.333 306 G HA2 0.260 4.216 3.960 -0.007 0.000 0.288 306 G HA3 0.260 4.216 3.960 -0.007 0.000 0.288 306 G C -1.724 173.261 174.900 0.141 0.000 1.286 306 G CA -0.714 44.471 45.100 0.142 0.000 0.865 306 G HN 0.474 nan 8.290 nan 0.000 0.506 307 K N -1.049 119.383 120.400 0.053 0.000 2.306 307 K HA 0.787 5.103 4.320 -0.007 0.000 0.236 307 K C -1.110 175.495 176.600 0.009 0.000 1.013 307 K CA -0.896 55.371 56.287 -0.032 0.000 0.857 307 K CB 2.649 35.106 32.500 -0.071 0.000 1.214 307 K HN 0.322 nan 8.250 nan 0.000 0.449 308 V N 0.898 120.764 119.914 -0.079 0.000 2.588 308 V HA 0.346 4.462 4.120 -0.007 0.000 0.304 308 V C -0.584 175.614 176.094 0.174 0.000 1.042 308 V CA -1.050 61.263 62.300 0.021 0.000 0.877 308 V CB 1.575 33.279 31.823 -0.198 0.000 0.996 308 V HN 0.897 nan 8.190 nan 0.000 0.425 309 A N 4.798 127.798 122.820 0.301 0.000 2.807 309 A HA 0.312 4.628 4.320 -0.007 0.000 0.307 309 A C -0.449 177.490 177.584 0.592 0.000 1.532 309 A CA -0.288 52.046 52.037 0.496 0.000 1.215 309 A CB -0.476 18.897 19.000 0.622 0.000 1.127 309 A HN 0.784 nan 8.150 nan 0.000 0.543 310 W N 2.817 124.286 121.300 0.281 0.000 2.158 310 W HA 0.221 4.877 4.660 -0.007 0.000 0.339 310 W C 0.510 177.119 176.519 0.151 0.000 1.294 310 W CA 0.141 57.600 57.345 0.191 0.000 1.231 310 W CB 0.757 30.306 29.460 0.148 0.000 1.143 310 W HN 0.814 nan 8.180 nan 0.000 0.571 311 D N 1.961 122.222 120.400 -0.232 0.000 2.369 311 D HA -0.137 4.499 4.640 -0.007 0.000 0.231 311 D C 1.859 177.417 176.300 -1.236 0.000 0.967 311 D CA 0.376 53.866 54.000 -0.851 0.000 0.905 311 D CB -1.393 38.866 40.800 -0.902 0.000 1.044 311 D HN 0.518 nan 8.370 nan 0.000 0.487 312 W N 0.885 121.231 121.300 -1.591 0.000 2.333 312 W HA -0.105 4.550 4.660 -0.007 0.000 0.316 312 W C 2.186 178.008 176.519 -1.161 0.000 1.215 312 W CA 1.778 58.234 57.345 -1.482 0.000 1.278 312 W CB -0.607 28.255 29.460 -0.996 0.000 1.154 312 W HN 0.100 nan 8.180 nan 0.000 0.486 313 W N 2.155 122.595 121.300 -1.432 0.000 2.318 313 W HA -0.315 4.341 4.660 -0.007 0.000 0.313 313 W C 2.016 178.079 176.519 -0.760 0.000 1.221 313 W CA 2.816 59.598 57.345 -0.938 0.000 1.266 313 W CB -0.831 28.326 29.460 -0.505 0.000 1.150 313 W HN 0.163 nan 8.180 nan 0.000 0.496 314 N N -0.129 118.347 118.700 -0.373 0.000 2.449 314 N HA -0.062 4.674 4.740 -0.007 0.000 0.191 314 N C 0.147 175.414 175.510 -0.405 0.000 1.161 314 N CA 1.128 53.978 53.050 -0.333 0.000 0.863 314 N CB -0.330 38.142 38.487 -0.024 0.000 0.980 314 N HN 0.111 nan 8.380 nan 0.000 0.458 315 D N -0.900 119.124 120.400 -0.626 0.000 2.772 315 D HA -0.220 4.416 4.640 -0.007 0.000 0.233 315 D C -0.598 175.805 176.300 0.172 0.000 1.143 315 D CA 0.916 54.726 54.000 -0.316 0.000 0.700 315 D CB -1.269 39.413 40.800 -0.196 0.000 1.076 315 D HN 0.527 nan 8.370 nan 0.000 0.430 316 W N -2.628 118.611 121.300 -0.102 0.000 3.572 316 W HA -0.325 4.331 4.660 -0.007 0.000 0.298 316 W C 0.928 177.479 176.519 0.053 0.000 1.113 316 W CA 0.529 57.887 57.345 0.022 0.000 0.657 316 W CB -2.467 26.961 29.460 -0.054 0.000 2.150 316 W HN 0.321 nan 8.180 nan 0.000 1.471 317 N N 1.966 120.759 118.700 0.155 0.000 3.167 317 N HA 0.178 4.914 4.740 -0.007 0.000 0.318 317 N C 0.373 175.888 175.510 0.008 0.000 1.268 317 N CA 0.604 53.691 53.050 0.061 0.000 1.197 317 N CB -0.735 37.741 38.487 -0.018 0.000 1.464 317 N HN 0.144 nan 8.380 nan 0.000 0.555 318 L N 0.580 121.818 121.223 0.025 0.000 2.464 318 L HA 0.229 4.565 4.340 -0.007 0.000 0.264 318 L C 0.564 177.372 176.870 -0.102 0.000 1.199 318 L CA -0.431 54.367 54.840 -0.070 0.000 0.818 318 L CB 0.547 42.558 42.059 -0.079 0.000 1.102 318 L HN 0.359 nan 8.230 nan 0.000 0.473 319 D N -1.257 119.070 120.400 -0.122 0.000 2.523 319 D HA 0.563 5.199 4.640 -0.007 0.000 0.236 319 D C 0.360 176.583 176.300 -0.128 0.000 1.094 319 D CA -0.220 53.709 54.000 -0.118 0.000 0.942 319 D CB 1.816 42.565 40.800 -0.085 0.000 1.447 319 D HN 0.723 nan 8.370 nan 0.000 0.479 320 G N -0.882 107.847 108.800 -0.119 0.000 2.160 320 G HA2 -0.031 3.925 3.960 -0.007 0.000 0.244 320 G HA3 -0.031 3.925 3.960 -0.007 0.000 0.244 320 G C 0.114 174.934 174.900 -0.134 0.000 1.022 320 G CA 0.356 45.395 45.100 -0.101 0.000 0.741 320 G HN 1.320 nan 8.290 nan 0.000 0.508 321 V N -4.091 115.682 119.914 -0.235 0.000 2.960 321 V HA 0.808 4.924 4.120 -0.007 0.000 0.315 321 V C 0.371 176.252 176.094 -0.354 0.000 1.087 321 V CA -0.614 61.472 62.300 -0.357 0.000 0.982 321 V CB 2.133 33.495 31.823 -0.770 0.000 1.039 321 V HN -0.038 nan 8.190 nan 0.000 0.437 322 D N 1.335 121.590 120.400 -0.242 0.000 2.358 322 D HA 0.245 4.881 4.640 -0.007 0.000 0.224 322 D C -0.197 176.104 176.300 0.002 0.000 1.123 322 D CA 0.720 54.672 54.000 -0.080 0.000 0.833 322 D CB 0.104 40.927 40.800 0.037 0.000 0.946 322 D HN 0.632 nan 8.370 nan 0.000 0.505 323 F N -1.572 118.385 119.950 0.012 0.000 2.588 323 F HA 0.525 5.048 4.527 -0.007 0.000 0.314 323 F C -0.410 175.396 175.800 0.009 0.000 1.069 323 F CA -1.640 56.367 58.000 0.011 0.000 0.931 323 F CB 0.625 39.635 39.000 0.016 0.000 1.260 323 F HN -0.415 nan 8.300 nan 0.000 0.465 324 V N 2.289 122.326 119.914 0.206 0.000 2.479 324 V HA 0.245 4.361 4.120 -0.007 0.000 0.281 324 V C 0.621 176.855 176.094 0.233 0.000 1.031 324 V CA -0.036 62.333 62.300 0.116 0.000 1.038 324 V CB 0.494 32.363 31.823 0.077 0.000 0.981 324 V HN 1.013 nan 8.190 nan 0.000 0.478 325 T N 2.664 117.304 114.554 0.143 0.000 2.899 325 T HA 0.724 5.070 4.350 -0.007 0.000 0.295 325 T C 0.356 175.101 174.700 0.075 0.000 1.033 325 T CA 0.272 62.498 62.100 0.210 0.000 1.084 325 T CB 1.625 70.598 68.868 0.174 0.000 0.979 325 T HN 1.397 nan 8.240 nan 0.000 0.532 326 G N 0.009 108.804 108.800 -0.009 0.000 2.351 326 G HA2 0.308 4.264 3.960 -0.007 0.000 0.279 326 G HA3 0.308 4.264 3.960 -0.007 0.000 0.279 326 G C -1.039 173.552 174.900 -0.516 0.000 1.297 326 G CA -0.463 44.429 45.100 -0.347 0.000 0.886 326 G HN 0.959 nan 8.290 nan 0.000 0.493 327 V N 2.653 122.231 119.914 -0.561 0.000 2.229 327 V HA 0.411 4.527 4.120 -0.007 0.000 0.245 327 V C 0.105 176.224 176.094 0.042 0.000 1.243 327 V CA 0.440 62.628 62.300 -0.187 0.000 1.176 327 V CB -1.145 30.596 31.823 -0.137 0.000 1.323 327 V HN 0.886 nan 8.190 nan 0.000 0.499 328 N N 1.678 120.441 118.700 0.105 0.000 2.708 328 N HA 0.348 5.084 4.740 -0.007 0.000 0.257 328 N C 0.401 176.001 175.510 0.150 0.000 1.373 328 N CA -0.945 52.167 53.050 0.104 0.000 0.843 328 N CB 0.616 39.116 38.487 0.021 0.000 1.503 328 N HN -0.105 nan 8.380 nan 0.000 0.504 329 N N 0.118 118.863 118.700 0.075 0.000 2.043 329 N HA -0.076 4.660 4.740 -0.007 0.000 0.193 329 N C -1.095 174.360 175.510 -0.091 0.000 1.037 329 N CA 1.839 54.910 53.050 0.035 0.000 0.851 329 N CB -1.253 37.218 38.487 -0.026 0.000 1.027 329 N HN 0.605 nan 8.380 nan 0.000 0.422 330 P HA -0.043 nan 4.420 nan 0.000 0.218 330 P C 1.128 177.991 177.300 -0.728 0.000 1.149 330 P CA 1.353 64.042 63.100 -0.685 0.000 0.817 330 P CB -0.109 30.943 31.700 -1.080 0.000 0.785 331 T N -0.898 113.457 114.554 -0.330 0.000 2.737 331 T HA -0.129 4.217 4.350 -0.007 0.000 0.265 331 T C 1.747 176.559 174.700 0.186 0.000 1.038 331 T CA 1.339 63.502 62.100 0.105 0.000 1.144 331 T CB -1.041 67.913 68.868 0.143 0.000 0.866 331 T HN 0.117 nan 8.240 nan 0.000 0.434 332 Y N 1.286 121.726 120.300 0.234 0.000 2.352 332 Y HA 0.024 4.570 4.550 -0.007 0.000 0.292 332 Y C 2.504 178.562 175.900 0.263 0.000 1.136 332 Y CA 0.797 59.058 58.100 0.268 0.000 1.227 332 Y CB -0.060 38.500 38.460 0.166 0.000 0.991 332 Y HN 0.096 nan 8.280 nan 0.000 0.545 333 K N 0.549 121.089 120.400 0.232 0.000 2.097 333 K HA -0.179 4.137 4.320 -0.007 0.000 0.206 333 K C 2.252 179.017 176.600 0.275 0.000 1.049 333 K CA 1.091 57.475 56.287 0.162 0.000 0.933 333 K CB -0.231 32.188 32.500 -0.135 0.000 0.717 333 K HN 0.248 nan 8.250 nan 0.000 0.442 334 A N 0.410 123.384 122.820 0.257 0.000 1.877 334 A HA -0.159 4.157 4.320 -0.007 0.000 0.216 334 A C 1.952 179.712 177.584 0.294 0.000 1.186 334 A CA 1.331 53.537 52.037 0.282 0.000 0.620 334 A CB -0.957 18.247 19.000 0.339 0.000 0.822 334 A HN 0.441 nan 8.150 nan 0.000 0.443 335 Y N -0.132 120.334 120.300 0.276 0.000 2.181 335 Y HA -0.170 4.376 4.550 -0.006 0.000 0.288 335 Y C 2.266 178.384 175.900 0.363 0.000 1.146 335 Y CA 1.571 59.871 58.100 0.334 0.000 1.164 335 Y CB -0.316 38.327 38.460 0.305 0.000 0.982 335 Y HN 0.221 nan 8.280 nan 0.000 0.515 336 I N -0.195 120.665 120.570 0.484 0.000 2.179 336 I HA -0.318 3.848 4.170 -0.007 0.000 0.242 336 I C 1.789 178.061 176.117 0.260 0.000 1.088 336 I CA 1.447 62.959 61.300 0.353 0.000 1.357 336 I CB -0.345 37.888 38.000 0.387 0.000 1.051 336 I HN 0.213 nan 8.210 nan 0.000 0.409 337 D N 0.477 121.058 120.400 0.302 0.000 2.144 337 D HA -0.205 4.431 4.640 -0.007 0.000 0.199 337 D C 1.897 178.307 176.300 0.182 0.000 0.984 337 D CA 1.201 55.334 54.000 0.221 0.000 0.834 337 D CB -0.327 40.624 40.800 0.250 0.000 0.955 337 D HN 0.278 nan 8.370 nan 0.000 0.465 338 F N 1.844 121.854 119.950 0.100 0.000 2.102 338 F HA -0.091 4.432 4.527 -0.007 0.000 0.298 338 F C 2.167 177.995 175.800 0.048 0.000 1.105 338 F CA 1.448 59.483 58.000 0.059 0.000 1.239 338 F CB -0.411 38.607 39.000 0.031 0.000 0.991 338 F HN -0.066 nan 8.300 nan 0.000 0.474 339 A N -0.575 122.163 122.820 -0.137 0.000 1.877 339 A HA -0.203 4.113 4.320 -0.007 0.000 0.216 339 A C 2.412 179.856 177.584 -0.233 0.000 1.186 339 A CA 2.033 53.921 52.037 -0.249 0.000 0.620 339 A CB -1.576 17.433 19.000 0.015 0.000 0.822 339 A HN 0.482 nan 8.150 nan 0.000 0.443 340 S N -0.342 115.289 115.700 -0.114 0.000 2.353 340 S HA -0.115 4.351 4.470 -0.007 0.000 0.222 340 S C 2.161 176.683 174.600 -0.131 0.000 1.035 340 S CA 1.762 59.896 58.200 -0.110 0.000 1.025 340 S CB -0.537 62.620 63.200 -0.070 0.000 0.902 340 S HN 0.907 nan 8.310 nan 0.000 0.440 341 A N 1.255 124.003 122.820 -0.120 0.000 2.070 341 A HA -0.017 4.299 4.320 -0.007 0.000 0.220 341 A C 1.747 179.234 177.584 -0.161 0.000 1.159 341 A CA 1.410 53.385 52.037 -0.103 0.000 0.656 341 A CB -0.392 18.584 19.000 -0.040 0.000 0.800 341 A HN 0.682 nan 8.150 nan 0.000 0.453 342 N N -1.486 117.045 118.700 -0.281 0.000 2.184 342 N HA 0.173 4.909 4.740 -0.007 0.000 0.206 342 N C 0.985 176.343 175.510 -0.253 0.000 1.151 342 N CA 0.790 53.659 53.050 -0.301 0.000 0.878 342 N CB 0.786 38.965 38.487 -0.515 0.000 1.014 342 N HN 0.557 nan 8.380 nan 0.000 0.512 343 G N 1.664 110.335 108.800 -0.216 0.000 2.148 343 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.254 343 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.254 343 G C 0.103 174.880 174.900 -0.204 0.000 0.981 343 G CA -0.156 44.833 45.100 -0.185 0.000 0.670 343 G HN 0.320 nan 8.290 nan 0.000 0.528 344 I N 0.779 121.208 120.570 -0.234 0.000 2.471 344 I HA 0.213 4.379 4.170 -0.007 0.000 0.286 344 I C 1.587 177.598 176.117 -0.177 0.000 1.079 344 I CA -0.496 60.683 61.300 -0.202 0.000 1.398 344 I CB 0.997 38.868 38.000 -0.215 0.000 1.403 344 I HN 0.087 nan 8.210 nan 0.000 0.530 345 E N 4.674 124.745 120.200 -0.214 0.000 2.077 345 E HA -0.121 4.225 4.350 -0.007 0.000 0.193 345 E C -0.801 175.508 176.600 -0.485 0.000 0.989 345 E CA 1.609 57.757 56.400 -0.420 0.000 0.800 345 E CB -0.025 29.294 29.700 -0.635 0.000 0.746 345 E HN 0.477 nan 8.360 nan 0.000 0.452 346 Y N -1.932 118.392 120.300 0.039 0.000 2.633 346 Y HA 0.602 5.149 4.550 -0.006 0.000 0.339 346 Y C -0.543 175.429 175.900 0.120 0.000 1.045 346 Y CA -1.374 56.781 58.100 0.092 0.000 1.098 346 Y CB 1.702 40.273 38.460 0.185 0.000 1.296 346 Y HN -0.398 nan 8.280 nan 0.000 0.494 347 V N 2.921 123.050 119.914 0.359 0.000 2.668 347 V HA 0.412 4.528 4.120 -0.007 0.000 0.304 347 V C -0.676 175.574 176.094 0.261 0.000 1.071 347 V CA -0.831 61.661 62.300 0.321 0.000 0.894 347 V CB 1.889 33.908 31.823 0.327 0.000 1.008 347 V HN 0.566 nan 8.190 nan 0.000 0.425 348 I N 4.843 125.589 120.570 0.293 0.000 2.437 348 I HA 0.409 4.575 4.170 -0.007 0.000 0.298 348 I C -0.858 175.412 176.117 0.255 0.000 0.984 348 I CA -0.755 60.695 61.300 0.250 0.000 1.214 348 I CB 1.852 40.050 38.000 0.330 0.000 1.365 348 I HN 0.368 nan 8.210 nan 0.000 0.469 349 L N 6.126 127.404 121.223 0.091 0.000 2.283 349 L HA 0.284 4.619 4.340 -0.007 0.000 0.281 349 L C 0.308 177.428 176.870 0.417 0.000 1.033 349 L CA 0.189 55.054 54.840 0.042 0.000 0.848 349 L CB 0.323 42.122 42.059 -0.433 0.000 1.226 349 L HN 0.524 nan 8.230 nan 0.000 0.429 350 D N 1.530 122.233 120.400 0.505 0.000 2.376 350 D HA -0.017 4.619 4.640 -0.007 0.000 0.268 350 D C -0.006 176.429 176.300 0.226 0.000 1.252 350 D CA -0.392 53.823 54.000 0.358 0.000 1.041 350 D CB 0.746 41.680 40.800 0.223 0.000 1.109 350 D HN 0.505 nan 8.370 nan 0.000 0.552 351 E N -1.379 118.471 120.200 -0.584 0.000 2.558 351 E HA 0.163 4.509 4.350 -0.007 0.000 0.255 351 E C 0.295 176.908 176.600 0.020 0.000 0.968 351 E CA 0.734 56.717 56.400 -0.694 0.000 0.939 351 E CB 0.011 28.939 29.700 -1.286 0.000 0.921 351 E HN 0.586 nan 8.360 nan 0.000 0.477 352 G N 4.723 113.525 108.800 0.005 0.000 2.901 352 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.194 352 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.194 352 G C 0.633 175.593 174.900 0.101 0.000 1.020 352 G CA 0.114 45.254 45.100 0.067 0.000 0.787 352 G HN 0.708 nan 8.290 nan 0.000 0.477 353 W N 1.531 122.912 121.300 0.135 0.000 2.519 353 W HA 0.620 5.276 4.660 -0.006 0.000 0.266 353 W C 0.583 177.161 176.519 0.099 0.000 1.253 353 W CA 0.803 58.208 57.345 0.100 0.000 1.274 353 W CB -0.630 28.867 29.460 0.062 0.000 1.114 353 W HN 0.729 nan 8.180 nan 0.000 0.596 354 A N 1.993 124.480 122.820 -0.555 0.000 2.305 354 A HA 0.479 4.795 4.320 -0.007 0.000 0.322 354 A C -0.160 177.299 177.584 -0.208 0.000 1.187 354 A CA -0.661 51.072 52.037 -0.507 0.000 0.825 354 A CB 1.264 19.698 19.000 -0.943 0.000 1.164 354 A HN -0.011 nan 8.150 nan 0.000 0.498 355 V N 3.157 123.013 119.914 -0.098 0.000 2.583 355 V HA -0.120 3.996 4.120 -0.007 0.000 0.302 355 V C 0.979 177.029 176.094 -0.072 0.000 1.033 355 V CA 0.330 62.596 62.300 -0.057 0.000 1.194 355 V CB -0.812 30.995 31.823 -0.027 0.000 0.879 355 V HN 0.954 nan 8.190 nan 0.000 0.482 356 N N 4.508 123.170 118.700 -0.063 0.000 2.454 356 N HA 0.157 4.893 4.740 -0.007 0.000 0.254 356 N C 0.782 176.259 175.510 -0.055 0.000 1.228 356 N CA 0.330 53.341 53.050 -0.065 0.000 0.900 356 N CB 0.209 38.656 38.487 -0.068 0.000 1.089 356 N HN 0.676 nan 8.380 nan 0.000 0.449 357 L N -0.143 121.047 121.223 -0.055 0.000 4.808 357 L HA -0.345 3.991 4.340 -0.007 0.000 0.396 357 L C 1.282 178.137 176.870 -0.024 0.000 0.811 357 L CA 0.909 55.723 54.840 -0.042 0.000 2.140 357 L CB -1.171 40.862 42.059 -0.044 0.000 1.363 357 L HN 0.598 nan 8.230 nan 0.000 0.611 358 Q N 0.364 120.147 119.800 -0.029 0.000 2.311 358 Q HA 0.163 4.499 4.340 -0.007 0.000 0.203 358 Q C 1.584 177.573 176.000 -0.018 0.000 0.954 358 Q CA 1.113 56.903 55.803 -0.022 0.000 0.885 358 Q CB 0.166 28.887 28.738 -0.029 0.000 0.963 358 Q HN 0.650 nan 8.270 nan 0.000 0.471 359 A N 2.263 125.072 122.820 -0.019 0.000 2.704 359 A HA -0.194 4.122 4.320 -0.007 0.000 0.299 359 A C -0.241 177.300 177.584 -0.071 0.000 1.507 359 A CA 1.100 53.126 52.037 -0.017 0.000 0.776 359 A CB -1.697 17.345 19.000 0.068 0.000 1.027 359 A HN 0.286 nan 8.150 nan 0.000 0.475 360 D N -0.537 119.822 120.400 -0.068 0.000 2.505 360 D HA 0.517 5.153 4.640 -0.007 0.000 0.250 360 D C 0.846 177.123 176.300 -0.038 0.000 1.164 360 D CA -0.540 53.423 54.000 -0.061 0.000 0.870 360 D CB 0.731 41.504 40.800 -0.045 0.000 1.160 360 D HN 0.215 nan 8.370 nan 0.000 0.549 361 L N 2.660 123.896 121.223 0.022 0.000 2.622 361 L HA 0.027 4.363 4.340 -0.007 0.000 0.233 361 L C 1.642 178.733 176.870 0.368 0.000 1.156 361 L CA 0.411 55.362 54.840 0.185 0.000 0.866 361 L CB -0.081 42.196 42.059 0.363 0.000 0.980 361 L HN 0.396 nan 8.230 nan 0.000 0.448 362 M N -1.174 118.525 119.600 0.165 0.000 2.371 362 M HA 0.133 4.609 4.480 -0.007 0.000 0.246 362 M C 0.301 176.683 176.300 0.137 0.000 1.103 362 M CA 0.511 55.885 55.300 0.124 0.000 1.010 362 M CB 0.189 32.750 32.600 -0.064 0.000 1.457 362 M HN 0.113 nan 8.290 nan 0.000 0.486 363 Q N 1.845 121.714 119.800 0.115 0.000 2.509 363 Q HA 0.365 4.701 4.340 -0.007 0.000 0.230 363 Q C -0.709 175.367 176.000 0.126 0.000 1.089 363 Q CA -0.168 55.686 55.803 0.084 0.000 0.901 363 Q CB 1.646 30.395 28.738 0.018 0.000 1.208 363 Q HN 0.034 nan 8.270 nan 0.000 0.529 364 V N 2.816 122.858 119.914 0.213 0.000 2.465 364 V HA 0.180 4.296 4.120 -0.007 0.000 0.279 364 V C 0.824 177.020 176.094 0.171 0.000 1.045 364 V CA -0.787 61.685 62.300 0.287 0.000 0.938 364 V CB 1.295 33.325 31.823 0.345 0.000 0.986 364 V HN 0.535 nan 8.190 nan 0.000 0.467 365 V N 3.551 123.559 119.914 0.156 0.000 2.901 365 V HA 0.127 4.243 4.120 -0.007 0.000 0.307 365 V C 1.637 177.789 176.094 0.096 0.000 1.084 365 V CA -0.147 62.210 62.300 0.096 0.000 1.184 365 V CB 0.230 32.100 31.823 0.080 0.000 0.941 365 V HN 0.988 nan 8.190 nan 0.000 0.493 366 K N 1.948 122.386 120.400 0.064 0.000 2.360 366 K HA -0.162 4.154 4.320 -0.007 0.000 0.201 366 K C 1.134 177.767 176.600 0.055 0.000 1.046 366 K CA 1.902 58.223 56.287 0.056 0.000 0.945 366 K CB -0.154 32.369 32.500 0.037 0.000 0.750 366 K HN 0.845 nan 8.250 nan 0.000 0.464 367 E N 0.431 120.665 120.200 0.057 0.000 2.481 367 E HA 0.162 4.508 4.350 -0.007 0.000 0.195 367 E C 0.061 176.706 176.600 0.075 0.000 1.047 367 E CA 0.226 56.657 56.400 0.052 0.000 0.867 367 E CB 0.237 29.960 29.700 0.039 0.000 0.858 367 E HN 0.215 nan 8.360 nan 0.000 0.513 368 I N 1.242 121.873 120.570 0.100 0.000 2.474 368 I HA 0.230 4.396 4.170 -0.007 0.000 0.294 368 I C -0.729 175.443 176.117 0.091 0.000 1.005 368 I CA -0.694 60.672 61.300 0.111 0.000 1.113 368 I CB 1.799 39.893 38.000 0.157 0.000 1.289 368 I HN -0.173 nan 8.210 nan 0.000 0.436 369 D N 7.107 127.544 120.400 0.062 0.000 2.458 369 D HA 0.302 4.938 4.640 -0.007 0.000 0.258 369 D C 1.348 177.670 176.300 0.037 0.000 1.134 369 D CA -0.331 53.702 54.000 0.054 0.000 0.915 369 D CB 1.591 42.413 40.800 0.037 0.000 1.028 369 D HN 0.339 nan 8.370 nan 0.000 0.508 370 L N 1.129 122.377 121.223 0.042 0.000 1.971 370 L HA -0.281 4.054 4.340 -0.007 0.000 0.215 370 L C 2.361 179.237 176.870 0.010 0.000 1.072 370 L CA 1.401 56.238 54.840 -0.006 0.000 0.758 370 L CB -0.205 41.869 42.059 0.025 0.000 0.889 370 L HN 0.206 nan 8.230 nan 0.000 0.433 371 K N 0.498 120.923 120.400 0.041 0.000 2.044 371 K HA -0.234 4.082 4.320 -0.007 0.000 0.210 371 K C 1.818 178.438 176.600 0.035 0.000 1.049 371 K CA 1.737 58.043 56.287 0.030 0.000 0.927 371 K CB -0.153 32.363 32.500 0.028 0.000 0.713 371 K HN 0.164 nan 8.250 nan 0.000 0.443 372 E N 0.332 120.556 120.200 0.039 0.000 2.058 372 E HA -0.136 4.210 4.350 -0.007 0.000 0.194 372 E C 2.022 178.672 176.600 0.083 0.000 0.997 372 E CA 1.450 57.881 56.400 0.052 0.000 0.801 372 E CB -0.281 29.438 29.700 0.031 0.000 0.746 372 E HN 0.274 nan 8.360 nan 0.000 0.450 373 L N -0.138 121.121 121.223 0.060 0.000 2.017 373 L HA -0.175 4.161 4.340 -0.007 0.000 0.208 373 L C 2.306 179.237 176.870 0.103 0.000 1.073 373 L CA 0.826 55.720 54.840 0.091 0.000 0.745 373 L CB -0.502 41.569 42.059 0.020 0.000 0.894 373 L HN 0.080 nan 8.230 nan 0.000 0.432 374 V N -0.041 119.894 119.914 0.035 0.000 2.287 374 V HA -0.320 3.796 4.120 -0.007 0.000 0.248 374 V C 2.157 178.276 176.094 0.042 0.000 1.053 374 V CA 2.054 64.365 62.300 0.019 0.000 1.027 374 V CB -0.562 31.255 31.823 -0.010 0.000 0.646 374 V HN 0.458 nan 8.190 nan 0.000 0.447 375 D N -1.215 119.218 120.400 0.055 0.000 2.117 375 D HA -0.200 4.436 4.640 -0.007 0.000 0.197 375 D C 1.937 178.282 176.300 0.075 0.000 0.987 375 D CA 1.551 55.583 54.000 0.053 0.000 0.829 375 D CB -0.334 40.500 40.800 0.057 0.000 0.961 375 D HN 0.573 nan 8.370 nan 0.000 0.460 376 Y N 1.739 122.047 120.300 0.013 0.000 2.145 376 Y HA -0.171 4.375 4.550 -0.007 0.000 0.286 376 Y C 2.323 178.239 175.900 0.027 0.000 1.145 376 Y CA 1.669 59.783 58.100 0.023 0.000 1.148 376 Y CB -0.507 37.974 38.460 0.034 0.000 0.981 376 Y HN -0.049 nan 8.280 nan 0.000 0.507 377 A N 0.521 123.355 122.820 0.022 0.000 1.908 377 A HA -0.165 4.151 4.320 -0.007 0.000 0.218 377 A C 2.446 179.968 177.584 -0.104 0.000 1.181 377 A CA 2.129 54.139 52.037 -0.045 0.000 0.627 377 A CB -1.559 17.477 19.000 0.060 0.000 0.818 377 A HN 0.620 nan 8.150 nan 0.000 0.445 378 A N 0.347 123.129 122.820 -0.064 0.000 1.902 378 A HA -0.114 4.202 4.320 -0.007 0.000 0.217 378 A C 2.448 179.973 177.584 -0.099 0.000 1.181 378 A CA 2.350 54.348 52.037 -0.064 0.000 0.623 378 A CB -1.027 17.953 19.000 -0.033 0.000 0.818 378 A HN 1.122 nan 8.150 nan 0.000 0.443 379 S N -1.055 114.564 115.700 -0.135 0.000 2.507 379 S HA -0.018 4.448 4.470 -0.007 0.000 0.235 379 S C 1.233 175.718 174.600 -0.193 0.000 0.988 379 S CA 1.092 59.204 58.200 -0.146 0.000 0.944 379 S CB -0.054 63.060 63.200 -0.143 0.000 0.762 379 S HN 0.456 nan 8.310 nan 0.000 0.526 380 K N 1.422 121.677 120.400 -0.242 0.000 2.387 380 K HA 0.246 4.562 4.320 -0.007 0.000 0.203 380 K C 0.160 176.674 176.600 -0.144 0.000 1.030 380 K CA -0.077 56.080 56.287 -0.217 0.000 1.099 380 K CB -0.459 31.858 32.500 -0.305 0.000 0.863 380 K HN 0.598 nan 8.250 nan 0.000 0.529 381 N N 0.951 119.576 118.700 -0.124 0.000 2.754 381 N HA -0.169 4.567 4.740 -0.007 0.000 0.248 381 N C -1.334 174.103 175.510 -0.121 0.000 1.093 381 N CA 0.002 52.986 53.050 -0.109 0.000 0.699 381 N CB -0.523 37.901 38.487 -0.105 0.000 1.016 381 N HN -0.135 nan 8.380 nan 0.000 0.552 382 V N 0.394 120.247 119.914 -0.101 0.000 2.604 382 V HA 0.702 4.818 4.120 -0.007 0.000 0.305 382 V C 0.951 177.024 176.094 -0.036 0.000 1.043 382 V CA -0.195 62.056 62.300 -0.081 0.000 0.888 382 V CB 1.810 33.623 31.823 -0.017 0.000 0.995 382 V HN 0.262 nan 8.190 nan 0.000 0.429 383 G N 3.925 112.707 108.800 -0.030 0.000 2.412 383 G HA2 0.649 4.605 3.960 -0.007 0.000 0.318 383 G HA3 0.649 4.605 3.960 -0.007 0.000 0.318 383 G C -0.828 174.227 174.900 0.259 0.000 1.146 383 G CA -0.496 44.686 45.100 0.137 0.000 0.882 383 G HN 0.425 nan 8.290 nan 0.000 0.501 384 I N 1.790 122.441 120.570 0.134 0.000 2.377 384 I HA 0.370 4.536 4.170 -0.007 0.000 0.293 384 I C -0.478 175.591 176.117 -0.081 0.000 0.987 384 I CA -0.788 60.529 61.300 0.028 0.000 1.185 384 I CB 1.559 39.509 38.000 -0.082 0.000 1.341 384 I HN 0.131 nan 8.210 nan 0.000 0.455 385 I N 6.983 127.493 120.570 -0.099 0.000 2.436 385 I HA 0.420 4.586 4.170 -0.007 0.000 0.289 385 I C -0.160 175.815 176.117 -0.235 0.000 1.010 385 I CA -0.621 60.548 61.300 -0.218 0.000 1.098 385 I CB 1.878 39.812 38.000 -0.111 0.000 1.266 385 I HN 0.272 nan 8.210 nan 0.000 0.434 386 L N 4.899 125.866 121.223 -0.427 0.000 2.295 386 L HA 0.393 4.729 4.340 -0.007 0.000 0.285 386 L C -0.551 176.450 176.870 0.218 0.000 1.035 386 L CA -0.620 54.058 54.840 -0.271 0.000 0.806 386 L CB 1.749 43.410 42.059 -0.663 0.000 1.214 386 L HN 0.603 nan 8.230 nan 0.000 0.426 387 W N 4.014 125.521 121.300 0.346 0.000 2.251 387 W HA 0.594 5.250 4.660 -0.007 0.000 0.329 387 W C -0.478 176.325 176.519 0.473 0.000 1.234 387 W CA -0.175 57.379 57.345 0.349 0.000 1.228 387 W CB 1.107 30.757 29.460 0.317 0.000 1.135 387 W HN 0.528 nan 8.180 nan 0.000 0.576 388 A N 4.226 126.868 122.820 -0.297 0.000 2.517 388 A HA 0.605 4.921 4.320 -0.007 0.000 0.297 388 A C -0.364 176.658 177.584 -0.937 0.000 1.050 388 A CA -0.439 51.401 52.037 -0.328 0.000 0.694 388 A CB 0.570 19.646 19.000 0.127 0.000 1.277 388 A HN 1.039 nan 8.150 nan 0.000 0.400 389 G N -0.007 108.386 108.800 -0.679 0.000 2.483 389 G HA2 0.363 4.319 3.960 -0.007 0.000 0.248 389 G HA3 0.363 4.319 3.960 -0.007 0.000 0.248 389 G C 0.588 175.446 174.900 -0.071 0.000 1.248 389 G CA 0.329 45.233 45.100 -0.327 0.000 0.838 389 G HN 1.107 nan 8.290 nan 0.000 0.566 390 Y N 1.279 121.551 120.300 -0.046 0.000 2.002 390 Y HA -0.410 4.136 4.550 -0.007 0.000 0.268 390 Y C 2.688 178.586 175.900 -0.003 0.000 1.177 390 Y CA 2.934 61.005 58.100 -0.048 0.000 1.111 390 Y CB -0.374 38.043 38.460 -0.072 0.000 0.952 390 Y HN 0.716 nan 8.280 nan 0.000 0.491 391 H N 0.160 119.003 119.070 -0.378 0.000 2.387 391 H HA -0.165 4.387 4.556 -0.006 0.000 0.299 391 H C 2.111 177.270 175.328 -0.283 0.000 1.099 391 H CA 1.735 57.518 56.048 -0.442 0.000 1.315 391 H CB -0.630 29.042 29.762 -0.150 0.000 1.380 391 H HN 0.495 nan 8.280 nan 0.000 0.513 392 A N -0.552 122.133 122.820 -0.224 0.000 1.933 392 A HA -0.120 4.196 4.320 -0.007 0.000 0.218 392 A C 2.317 179.802 177.584 -0.165 0.000 1.175 392 A CA 1.414 53.326 52.037 -0.210 0.000 0.628 392 A CB -1.014 17.942 19.000 -0.075 0.000 0.814 392 A HN 0.527 nan 8.150 nan 0.000 0.444 393 F N 1.071 120.855 119.950 -0.277 0.000 2.149 393 F HA -0.037 4.486 4.527 -0.007 0.000 0.294 393 F C 2.306 177.968 175.800 -0.229 0.000 1.095 393 F CA 1.882 59.738 58.000 -0.241 0.000 1.276 393 F CB -0.177 38.713 39.000 -0.184 0.000 1.023 393 F HN 0.374 nan 8.300 nan 0.000 0.480 394 E N 1.144 121.233 120.200 -0.185 0.000 2.285 394 E HA -0.197 4.149 4.350 -0.007 0.000 0.194 394 E C 1.993 178.429 176.600 -0.273 0.000 0.997 394 E CA 1.255 57.542 56.400 -0.189 0.000 0.845 394 E CB -0.838 28.710 29.700 -0.254 0.000 0.782 394 E HN 0.555 nan 8.360 nan 0.000 0.491 395 R N -0.034 120.236 120.500 -0.382 0.000 2.241 395 R HA -0.081 4.255 4.340 -0.007 0.000 0.224 395 R C 0.237 176.386 176.300 -0.252 0.000 1.101 395 R CA 1.634 57.534 56.100 -0.334 0.000 0.995 395 R CB -0.197 29.777 30.300 -0.543 0.000 0.870 395 R HN 0.187 nan 8.270 nan 0.000 0.463 396 D N -0.900 119.328 120.400 -0.286 0.000 3.279 396 D HA 0.097 4.733 4.640 -0.007 0.000 0.336 396 D C 0.809 176.903 176.300 -0.344 0.000 1.512 396 D CA -0.266 53.581 54.000 -0.253 0.000 0.754 396 D CB 0.094 40.764 40.800 -0.217 0.000 1.278 396 D HN 0.075 nan 8.370 nan 0.000 0.553 397 M N -0.055 119.293 119.600 -0.420 0.000 2.151 397 M HA -0.254 4.222 4.480 -0.007 0.000 0.256 397 M C 1.852 177.851 176.300 -0.501 0.000 1.072 397 M CA 2.136 57.056 55.300 -0.633 0.000 1.090 397 M CB 0.097 32.408 32.600 -0.482 0.000 1.294 397 M HN 0.241 nan 8.290 nan 0.000 0.415 398 E N -0.142 119.877 120.200 -0.302 0.000 2.051 398 E HA -0.271 4.075 4.350 -0.007 0.000 0.192 398 E C 1.652 178.054 176.600 -0.330 0.000 0.991 398 E CA 1.917 58.165 56.400 -0.253 0.000 0.799 398 E CB -0.209 29.430 29.700 -0.101 0.000 0.748 398 E HN 0.578 nan 8.360 nan 0.000 0.449 399 N N -0.317 118.233 118.700 -0.250 0.000 2.104 399 N HA -0.156 4.580 4.740 -0.007 0.000 0.190 399 N C 1.675 177.051 175.510 -0.223 0.000 1.024 399 N CA 1.600 54.522 53.050 -0.214 0.000 0.853 399 N CB -0.247 38.139 38.487 -0.169 0.000 1.008 399 N HN 0.096 nan 8.380 nan 0.000 0.424 400 V N -0.075 119.690 119.914 -0.248 0.000 2.261 400 V HA -0.308 3.808 4.120 -0.007 0.000 0.246 400 V C 2.544 178.627 176.094 -0.019 0.000 1.047 400 V CA 1.738 63.965 62.300 -0.121 0.000 1.015 400 V CB -0.707 30.965 31.823 -0.252 0.000 0.642 400 V HN 0.529 nan 8.190 nan 0.000 0.446 401 C N -0.557 118.588 119.300 -0.259 0.000 2.432 401 C HA -0.157 4.299 4.460 -0.007 0.000 0.277 401 C C 2.908 177.686 174.990 -0.353 0.000 1.249 401 C CA 1.450 60.363 59.018 -0.175 0.000 1.725 401 C CB -1.170 26.388 27.740 -0.304 0.000 2.028 401 C HN 0.558 nan 8.230 nan 0.000 0.477 402 R N 0.045 120.093 120.500 -0.753 0.000 2.070 402 R HA -0.190 4.146 4.340 -0.007 0.000 0.233 402 R C 2.231 178.408 176.300 -0.206 0.000 1.137 402 R CA 2.225 57.934 56.100 -0.651 0.000 0.945 402 R CB -0.684 29.305 30.300 -0.519 0.000 0.845 402 R HN 0.728 nan 8.270 nan 0.000 0.430 403 H N -0.768 118.141 119.070 -0.269 0.000 2.289 403 H HA -0.209 4.343 4.556 -0.006 0.000 0.296 403 H C 1.560 176.707 175.328 -0.303 0.000 1.091 403 H CA 2.608 58.473 56.048 -0.306 0.000 1.274 403 H CB -0.307 29.190 29.762 -0.442 0.000 1.364 403 H HN 0.296 nan 8.280 nan 0.000 0.490 404 Y N -0.379 119.989 120.300 0.113 0.000 2.395 404 Y HA 0.095 4.641 4.550 -0.007 0.000 0.293 404 Y C 2.641 178.525 175.900 -0.026 0.000 1.123 404 Y CA 0.750 58.881 58.100 0.051 0.000 1.227 404 Y CB -0.580 38.005 38.460 0.208 0.000 1.012 404 Y HN 0.408 nan 8.280 nan 0.000 0.552 405 A N 0.238 123.128 122.820 0.118 0.000 1.930 405 A HA -0.176 4.140 4.320 -0.007 0.000 0.217 405 A C 2.054 179.642 177.584 0.006 0.000 1.175 405 A CA 1.682 53.760 52.037 0.069 0.000 0.627 405 A CB -0.466 18.600 19.000 0.111 0.000 0.815 405 A HN 0.489 nan 8.150 nan 0.000 0.443 406 E N -0.897 119.278 120.200 -0.043 0.000 2.150 406 E HA -0.155 4.191 4.350 -0.007 0.000 0.193 406 E C 1.959 178.501 176.600 -0.096 0.000 0.985 406 E CA 1.142 57.497 56.400 -0.074 0.000 0.814 406 E CB -0.256 29.377 29.700 -0.112 0.000 0.752 406 E HN 0.737 nan 8.360 nan 0.000 0.466 407 M N -0.546 118.977 119.600 -0.127 0.000 2.319 407 M HA -0.064 4.412 4.480 -0.007 0.000 0.265 407 M C 1.132 177.412 176.300 -0.033 0.000 1.068 407 M CA 1.806 57.048 55.300 -0.096 0.000 1.118 407 M CB 0.358 32.910 32.600 -0.079 0.000 1.395 407 M HN 0.278 nan 8.290 nan 0.000 0.435 408 G N -0.370 108.419 108.800 -0.017 0.000 2.260 408 G HA2 -0.154 3.802 3.960 -0.007 0.000 0.179 408 G HA3 -0.154 3.802 3.960 -0.007 0.000 0.179 408 G C -0.061 174.830 174.900 -0.015 0.000 1.002 408 G CA -0.048 45.044 45.100 -0.013 0.000 0.677 408 G HN 0.301 nan 8.290 nan 0.000 0.486 409 V N 2.229 122.129 119.914 -0.024 0.000 2.694 409 V HA 0.177 4.293 4.120 -0.007 0.000 0.306 409 V C 1.536 177.582 176.094 -0.081 0.000 1.054 409 V CA 0.652 62.892 62.300 -0.100 0.000 1.161 409 V CB 1.350 33.054 31.823 -0.199 0.000 0.916 409 V HN 0.238 nan 8.190 nan 0.000 0.490 410 K N 2.806 123.158 120.400 -0.081 0.000 2.361 410 K HA 0.296 4.612 4.320 -0.007 0.000 0.196 410 K C 0.650 177.187 176.600 -0.105 0.000 1.039 410 K CA 0.807 57.081 56.287 -0.021 0.000 1.001 410 K CB 0.663 33.245 32.500 0.137 0.000 0.795 410 K HN 0.914 nan 8.250 nan 0.000 0.495 411 G N -0.063 108.581 108.800 -0.261 0.000 2.342 411 G HA2 0.450 4.406 3.960 -0.007 0.000 0.297 411 G HA3 0.450 4.406 3.960 -0.007 0.000 0.297 411 G C -1.824 172.791 174.900 -0.476 0.000 1.313 411 G CA -0.892 44.050 45.100 -0.264 0.000 0.830 411 G HN -0.050 nan 8.290 nan 0.000 0.506 412 F N -0.072 119.747 119.950 -0.218 0.000 2.588 412 F HA 0.704 5.227 4.527 -0.007 0.000 0.314 412 F C 0.278 175.890 175.800 -0.313 0.000 1.069 412 F CA -0.776 57.088 58.000 -0.227 0.000 0.931 412 F CB 2.961 41.804 39.000 -0.261 0.000 1.260 412 F HN 0.362 nan 8.300 nan 0.000 0.465 413 K N 2.775 123.148 120.400 -0.045 0.000 2.473 413 K HA 0.586 4.902 4.320 -0.007 0.000 0.246 413 K C -1.786 174.633 176.600 -0.301 0.000 1.011 413 K CA -0.324 55.877 56.287 -0.144 0.000 0.984 413 K CB 0.973 33.463 32.500 -0.016 0.000 1.250 413 K HN 0.502 nan 8.250 nan 0.000 0.454 414 V N 3.677 123.379 119.914 -0.352 0.000 2.432 414 V HA 0.230 4.345 4.120 -0.007 0.000 0.275 414 V C 0.032 175.975 176.094 -0.251 0.000 1.043 414 V CA -0.477 61.581 62.300 -0.403 0.000 0.925 414 V CB 1.196 32.774 31.823 -0.409 0.000 0.985 414 V HN 0.758 nan 8.190 nan 0.000 0.466 415 D N 2.330 122.531 120.400 -0.330 0.000 2.493 415 D HA 0.527 5.163 4.640 -0.007 0.000 0.239 415 D C -0.044 176.348 176.300 0.154 0.000 1.049 415 D CA -0.808 53.133 54.000 -0.099 0.000 1.008 415 D CB 1.511 42.288 40.800 -0.040 0.000 1.398 415 D HN 0.360 nan 8.370 nan 0.000 0.513 416 F N 0.036 120.027 119.950 0.068 0.000 3.080 416 F HA -0.250 4.273 4.527 -0.007 0.000 0.292 416 F C 1.386 177.240 175.800 0.090 0.000 0.891 416 F CA 0.092 58.150 58.000 0.097 0.000 1.086 416 F CB -1.432 37.662 39.000 0.157 0.000 1.095 416 F HN 0.287 nan 8.300 nan 0.000 0.633 417 M N -0.249 119.414 119.600 0.105 0.000 2.123 417 M HA -0.054 4.422 4.480 -0.007 0.000 0.263 417 M C 1.149 177.487 176.300 0.063 0.000 1.069 417 M CA 1.586 56.833 55.300 -0.089 0.000 1.133 417 M CB -0.319 32.210 32.600 -0.118 0.000 1.356 417 M HN 0.154 nan 8.290 nan 0.000 0.415 418 D N 1.404 121.886 120.400 0.137 0.000 2.737 418 D HA -0.201 4.435 4.640 -0.007 0.000 0.233 418 D C -0.340 176.128 176.300 0.278 0.000 1.155 418 D CA 0.809 54.894 54.000 0.140 0.000 0.667 418 D CB -0.754 40.038 40.800 -0.013 0.000 1.060 418 D HN 0.423 nan 8.370 nan 0.000 0.427 419 R N -0.445 120.271 120.500 0.360 0.000 2.680 419 R HA 0.379 4.715 4.340 -0.007 0.000 0.269 419 R C -0.493 176.067 176.300 0.434 0.000 1.026 419 R CA -0.710 55.606 56.100 0.361 0.000 0.889 419 R CB 1.456 31.851 30.300 0.157 0.000 1.241 419 R HN -0.041 nan 8.270 nan 0.000 0.463 420 D N -0.302 120.343 120.400 0.407 0.000 2.712 420 D HA 0.039 4.675 4.640 -0.007 0.000 0.300 420 D C -0.753 175.606 176.300 0.099 0.000 1.521 420 D CA -0.417 53.728 54.000 0.242 0.000 0.790 420 D CB -0.110 40.761 40.800 0.118 0.000 1.155 420 D HN 0.524 nan 8.370 nan 0.000 0.456 421 D N -0.684 119.752 120.400 0.059 0.000 2.398 421 D HA 0.018 4.654 4.640 -0.007 0.000 0.247 421 D C 1.476 177.750 176.300 -0.042 0.000 1.227 421 D CA -0.551 53.417 54.000 -0.054 0.000 0.980 421 D CB 1.172 41.893 40.800 -0.133 0.000 1.106 421 D HN -0.060 nan 8.370 nan 0.000 0.493 422 Q N -0.515 119.245 119.800 -0.068 0.000 2.152 422 Q HA -0.307 4.029 4.340 -0.007 0.000 0.206 422 Q C 1.627 177.656 176.000 0.050 0.000 0.985 422 Q CA 1.726 57.539 55.803 0.016 0.000 0.863 422 Q CB -0.009 28.806 28.738 0.129 0.000 0.904 422 Q HN 0.619 nan 8.270 nan 0.000 0.422 423 E N -0.400 119.768 120.200 -0.052 0.000 2.106 423 E HA -0.197 4.149 4.350 -0.007 0.000 0.192 423 E C 1.873 178.544 176.600 0.118 0.000 0.984 423 E CA 1.211 57.620 56.400 0.015 0.000 0.806 423 E CB -0.026 29.610 29.700 -0.106 0.000 0.750 423 E HN 0.342 nan 8.360 nan 0.000 0.458 424 M N 0.458 120.108 119.600 0.083 0.000 2.254 424 M HA -0.096 4.380 4.480 -0.007 0.000 0.265 424 M C 2.260 178.737 176.300 0.294 0.000 1.066 424 M CA 1.525 56.919 55.300 0.157 0.000 1.123 424 M CB -0.223 32.414 32.600 0.061 0.000 1.388 424 M HN 0.089 nan 8.290 nan 0.000 0.425 425 T N -2.440 112.254 114.554 0.233 0.000 2.951 425 T HA 0.110 4.456 4.350 -0.007 0.000 0.268 425 T C 1.871 176.735 174.700 0.272 0.000 1.073 425 T CA 0.970 63.236 62.100 0.276 0.000 1.134 425 T CB -0.795 68.177 68.868 0.173 0.000 0.884 425 T HN 0.305 nan 8.240 nan 0.000 0.479 426 A N 1.118 124.071 122.820 0.221 0.000 1.898 426 A HA 0.153 4.469 4.320 -0.007 0.000 0.216 426 A C 1.977 179.724 177.584 0.271 0.000 1.181 426 A CA 1.169 53.325 52.037 0.199 0.000 0.620 426 A CB -1.088 18.016 19.000 0.173 0.000 0.819 426 A HN 0.518 nan 8.150 nan 0.000 0.442 427 F N 1.890 121.951 119.950 0.184 0.000 2.126 427 F HA -0.236 4.287 4.527 -0.006 0.000 0.299 427 F C 1.941 177.862 175.800 0.201 0.000 1.096 427 F CA 2.004 60.127 58.000 0.205 0.000 1.255 427 F CB -0.374 38.779 39.000 0.254 0.000 0.997 427 F HN 0.210 nan 8.300 nan 0.000 0.479 428 N N 0.013 118.757 118.700 0.073 0.000 2.061 428 N HA -0.268 4.468 4.740 -0.007 0.000 0.193 428 N C 1.873 177.299 175.510 -0.139 0.000 1.030 428 N CA 2.228 55.234 53.050 -0.072 0.000 0.856 428 N CB -1.064 37.532 38.487 0.183 0.000 1.023 428 N HN 0.473 nan 8.380 nan 0.000 0.424 429 Y N 0.708 120.956 120.300 -0.086 0.000 2.263 429 Y HA 0.009 4.555 4.550 -0.007 0.000 0.292 429 Y C 2.704 178.461 175.900 -0.238 0.000 1.130 429 Y CA 0.630 58.675 58.100 -0.091 0.000 1.179 429 Y CB -0.015 38.495 38.460 0.082 0.000 0.998 429 Y HN -0.004 nan 8.280 nan 0.000 0.532 430 R N 0.458 120.941 120.500 -0.028 0.000 2.075 430 R HA -0.156 4.180 4.340 -0.007 0.000 0.232 430 R C 2.366 178.542 176.300 -0.207 0.000 1.126 430 R CA 1.240 57.293 56.100 -0.079 0.000 0.963 430 R CB -0.396 29.917 30.300 0.022 0.000 0.858 430 R HN 0.291 nan 8.270 nan 0.000 0.435 431 A N 0.635 123.228 122.820 -0.378 0.000 1.902 431 A HA -0.085 4.230 4.320 -0.007 0.000 0.217 431 A C 2.338 179.767 177.584 -0.258 0.000 1.181 431 A CA 1.608 53.458 52.037 -0.311 0.000 0.623 431 A CB -0.792 17.825 19.000 -0.639 0.000 0.818 431 A HN 0.530 nan 8.150 nan 0.000 0.443 432 A N -0.223 122.353 122.820 -0.407 0.000 1.883 432 A HA -0.221 4.095 4.320 -0.007 0.000 0.217 432 A C 2.065 179.307 177.584 -0.570 0.000 1.186 432 A CA 1.907 53.654 52.037 -0.483 0.000 0.624 432 A CB -0.623 17.981 19.000 -0.659 0.000 0.822 432 A HN 0.681 nan 8.150 nan 0.000 0.444 433 E N -1.253 118.478 120.200 -0.782 0.000 2.077 433 E HA -0.243 4.103 4.350 -0.007 0.000 0.193 433 E C 1.928 178.454 176.600 -0.124 0.000 0.989 433 E CA 1.640 57.744 56.400 -0.494 0.000 0.800 433 E CB -0.180 29.342 29.700 -0.297 0.000 0.746 433 E HN 0.504 nan 8.360 nan 0.000 0.452 434 M N 0.088 119.637 119.600 -0.084 0.000 2.175 434 M HA -0.081 4.395 4.480 -0.007 0.000 0.264 434 M C 2.038 178.421 176.300 0.138 0.000 1.063 434 M CA 1.307 56.635 55.300 0.047 0.000 1.119 434 M CB -0.226 32.375 32.600 0.001 0.000 1.377 434 M HN 0.246 nan 8.290 nan 0.000 0.415 435 C N -0.257 119.094 119.300 0.085 0.000 2.446 435 C HA 0.038 4.494 4.460 -0.007 0.000 0.277 435 C C 2.869 177.943 174.990 0.140 0.000 1.275 435 C CA 0.855 59.964 59.018 0.152 0.000 1.727 435 C CB -1.630 26.182 27.740 0.120 0.000 2.010 435 C HN 0.700 nan 8.230 nan 0.000 0.486 436 A N 0.481 123.387 122.820 0.144 0.000 1.933 436 A HA -0.233 4.083 4.320 -0.007 0.000 0.218 436 A C 2.201 179.828 177.584 0.070 0.000 1.175 436 A CA 2.004 54.207 52.037 0.277 0.000 0.628 436 A CB -0.583 18.624 19.000 0.344 0.000 0.814 436 A HN 0.694 nan 8.150 nan 0.000 0.444 437 K N -1.633 118.765 120.400 -0.002 0.000 2.097 437 K HA -0.160 4.156 4.320 -0.007 0.000 0.206 437 K C 0.601 176.912 176.600 -0.483 0.000 1.049 437 K CA 1.565 57.726 56.287 -0.211 0.000 0.933 437 K CB -0.240 32.123 32.500 -0.228 0.000 0.717 437 K HN 0.564 nan 8.250 nan 0.000 0.442 438 Y N 0.840 121.045 120.300 -0.158 0.000 2.625 438 Y HA 0.250 4.796 4.550 -0.007 0.000 0.285 438 Y C -0.431 175.235 175.900 -0.390 0.000 1.168 438 Y CA -0.267 57.710 58.100 -0.204 0.000 1.250 438 Y CB 0.395 38.802 38.460 -0.088 0.000 1.130 438 Y HN -0.042 nan 8.280 nan 0.000 0.526 439 K N 0.735 120.717 120.400 -0.697 0.000 3.150 439 K HA -0.200 4.115 4.320 -0.007 0.000 0.267 439 K C -1.056 175.066 176.600 -0.797 0.000 1.028 439 K CA 0.383 55.697 56.287 -1.621 0.000 0.753 439 K CB -1.788 29.907 32.500 -1.342 0.000 1.288 439 K HN 0.360 nan 8.250 nan 0.000 0.473 440 L N 1.253 122.322 121.223 -0.257 0.000 2.346 440 L HA 0.597 4.933 4.340 -0.007 0.000 0.276 440 L C 0.722 177.736 176.870 0.239 0.000 1.006 440 L CA -1.288 53.603 54.840 0.085 0.000 0.817 440 L CB 1.363 43.530 42.059 0.181 0.000 1.272 440 L HN 0.143 nan 8.230 nan 0.000 0.421 441 I N 0.250 120.880 120.570 0.100 0.000 2.834 441 I HA 0.646 4.812 4.170 -0.007 0.000 0.305 441 I C -0.900 175.090 176.117 -0.212 0.000 1.008 441 I CA -0.703 60.543 61.300 -0.090 0.000 1.273 441 I CB 1.501 39.303 38.000 -0.331 0.000 1.432 441 I HN 0.414 nan 8.210 nan 0.000 0.557 442 L N 2.505 123.539 121.223 -0.314 0.000 2.422 442 L HA 0.582 4.918 4.340 -0.007 0.000 0.264 442 L C -1.722 174.878 176.870 -0.449 0.000 0.984 442 L CA -0.066 54.574 54.840 -0.333 0.000 0.819 442 L CB 1.907 43.809 42.059 -0.261 0.000 1.330 442 L HN 0.736 nan 8.230 nan 0.000 0.410 443 D N 4.045 124.212 120.400 -0.389 0.000 2.549 443 D HA 0.416 5.052 4.640 -0.007 0.000 0.251 443 D C -1.423 174.756 176.300 -0.201 0.000 1.153 443 D CA -0.059 53.762 54.000 -0.298 0.000 0.861 443 D CB 1.155 41.872 40.800 -0.139 0.000 1.207 443 D HN 0.530 nan 8.370 nan 0.000 0.543 444 L N 4.263 125.353 121.223 -0.222 0.000 2.275 444 L HA 0.444 4.780 4.340 -0.007 0.000 0.288 444 L C 0.493 177.405 176.870 0.070 0.000 1.046 444 L CA -0.575 54.205 54.840 -0.100 0.000 0.805 444 L CB 1.241 43.213 42.059 -0.145 0.000 1.193 444 L HN 0.366 nan 8.230 nan 0.000 0.426 445 H N 1.414 120.411 119.070 -0.121 0.000 2.797 445 H HA 0.279 4.831 4.556 -0.007 0.000 0.362 445 H C 0.458 175.705 175.328 -0.134 0.000 1.183 445 H CA -0.267 55.717 56.048 -0.107 0.000 1.197 445 H CB 2.297 32.008 29.762 -0.086 0.000 1.835 445 H HN 0.758 nan 8.280 nan 0.000 0.567 446 G N 1.620 110.357 108.800 -0.106 0.000 2.323 446 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.292 446 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.292 446 G C 0.137 175.033 174.900 -0.007 0.000 1.040 446 G CA 1.172 46.183 45.100 -0.148 0.000 0.942 446 G HN 0.706 nan 8.290 nan 0.000 0.506 447 T N -1.566 112.972 114.554 -0.027 0.000 2.804 447 T HA 0.679 5.025 4.350 -0.007 0.000 0.290 447 T C 0.398 174.917 174.700 -0.302 0.000 1.099 447 T CA 0.269 62.283 62.100 -0.143 0.000 1.011 447 T CB 1.020 69.732 68.868 -0.261 0.000 1.291 447 T HN 0.800 nan 8.240 nan 0.000 0.523 448 H N 0.374 119.077 119.070 -0.612 0.000 2.645 448 H HA 0.669 5.221 4.556 -0.007 0.000 0.308 448 H C 0.296 175.388 175.328 -0.395 0.000 1.495 448 H CA -1.001 54.496 56.048 -0.917 0.000 1.518 448 H CB 0.172 29.035 29.762 -1.498 0.000 1.752 448 H HN 0.484 nan 8.280 nan 0.000 0.797 449 K N 1.087 121.430 120.400 -0.096 0.000 2.485 449 K HA -0.003 4.313 4.320 -0.007 0.000 0.277 449 K C -1.906 174.617 176.600 -0.128 0.000 0.990 449 K CA -1.108 55.132 56.287 -0.078 0.000 0.994 449 K CB -0.012 32.477 32.500 -0.019 0.000 0.906 449 K HN 0.502 nan 8.250 nan 0.000 0.488 450 P HA -0.259 nan 4.420 nan 0.000 0.216 450 P C 0.342 177.410 177.300 -0.387 0.000 1.154 450 P CA 2.274 64.846 63.100 -0.879 0.000 0.865 450 P CB -0.234 30.469 31.700 -1.663 0.000 0.789 451 A N -1.178 121.501 122.820 -0.234 0.000 2.640 451 A HA -0.026 4.290 4.320 -0.007 0.000 0.300 451 A C 1.335 178.880 177.584 -0.065 0.000 1.499 451 A CA 1.645 53.626 52.037 -0.093 0.000 0.759 451 A CB -2.309 16.686 19.000 -0.008 0.000 1.048 451 A HN 0.697 nan 8.150 nan 0.000 0.450 452 G N -2.693 106.013 108.800 -0.157 0.000 2.195 452 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.246 452 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.246 452 G C 0.864 175.687 174.900 -0.128 0.000 0.984 452 G CA 0.904 45.914 45.100 -0.150 0.000 0.633 452 G HN 1.910 nan 8.290 nan 0.000 0.525 453 L N 2.518 123.681 121.223 -0.100 0.000 2.127 453 L HA 0.009 4.345 4.340 -0.007 0.000 0.211 453 L C 2.474 179.344 176.870 0.000 0.000 1.089 453 L CA 2.917 57.692 54.840 -0.108 0.000 0.757 453 L CB -0.618 41.380 42.059 -0.101 0.000 0.899 453 L HN 0.600 nan 8.230 nan 0.000 0.434 454 N N -0.229 118.517 118.700 0.078 0.000 2.453 454 N HA -0.248 4.488 4.740 -0.007 0.000 0.183 454 N C 1.926 177.438 175.510 0.005 0.000 1.041 454 N CA 1.328 54.471 53.050 0.154 0.000 0.900 454 N CB -0.574 38.061 38.487 0.247 0.000 0.961 454 N HN 0.543 nan 8.380 nan 0.000 0.443 455 R N 0.647 120.995 120.500 -0.253 0.000 2.066 455 R HA 0.050 4.386 4.340 -0.007 0.000 0.224 455 R C 1.514 177.675 176.300 -0.231 0.000 1.122 455 R CA 1.330 57.162 56.100 -0.446 0.000 0.974 455 R CB -0.273 29.395 30.300 -1.055 0.000 0.871 455 R HN 0.107 nan 8.270 nan 0.000 0.435 456 T N -0.290 114.135 114.554 -0.215 0.000 2.746 456 T HA -0.141 4.205 4.350 -0.007 0.000 0.267 456 T C -0.115 174.297 174.700 -0.481 0.000 1.039 456 T CA 1.330 63.264 62.100 -0.276 0.000 1.142 456 T CB -0.149 68.639 68.868 -0.132 0.000 0.866 456 T HN 0.211 nan 8.240 nan 0.000 0.444 457 Y N 0.967 121.224 120.300 -0.071 0.000 2.681 457 Y HA 0.302 4.848 4.550 -0.007 0.000 0.347 457 Y C -1.980 173.901 175.900 -0.032 0.000 1.029 457 Y CA -2.965 55.106 58.100 -0.049 0.000 1.279 457 Y CB 1.572 39.974 38.460 -0.098 0.000 1.096 457 Y HN 0.013 nan 8.280 nan 0.000 0.580 458 P HA -0.195 nan 4.420 nan 0.000 0.226 458 P C 0.681 177.975 177.300 -0.011 0.000 1.146 458 P CA 1.407 64.590 63.100 0.139 0.000 0.773 458 P CB 0.365 32.210 31.700 0.243 0.000 0.772 459 N N 0.010 118.676 118.700 -0.058 0.000 2.515 459 N HA -0.029 4.707 4.740 -0.007 0.000 0.185 459 N C 0.260 175.656 175.510 -0.191 0.000 1.109 459 N CA 0.323 53.264 53.050 -0.181 0.000 0.903 459 N CB -0.796 37.697 38.487 0.011 0.000 0.969 459 N HN 0.001 nan 8.380 nan 0.000 0.450 460 V N 2.474 122.297 119.914 -0.151 0.000 2.313 460 V HA 0.133 4.249 4.120 -0.007 0.000 0.252 460 V C 1.556 177.447 176.094 -0.340 0.000 1.112 460 V CA -0.261 61.854 62.300 -0.307 0.000 0.984 460 V CB 0.257 31.904 31.823 -0.294 0.000 1.157 460 V HN 0.192 nan 8.190 nan 0.000 0.493 461 L N 2.505 123.508 121.223 -0.367 0.000 2.478 461 L HA 0.170 4.506 4.340 -0.007 0.000 0.223 461 L C 0.910 177.690 176.870 -0.150 0.000 1.140 461 L CA 0.779 55.481 54.840 -0.230 0.000 0.842 461 L CB -0.126 41.781 42.059 -0.254 0.000 0.953 461 L HN 0.638 nan 8.230 nan 0.000 0.452 462 N N -1.296 117.158 118.700 -0.410 0.000 3.127 462 N HA 0.427 5.163 4.740 -0.007 0.000 0.239 462 N C -1.722 173.383 175.510 -0.675 0.000 1.407 462 N CA -0.427 52.467 53.050 -0.260 0.000 0.891 462 N CB 1.711 40.223 38.487 0.042 0.000 1.447 462 N HN -0.235 nan 8.380 nan 0.000 0.507 463 F N 0.045 119.971 119.950 -0.039 0.000 2.619 463 F HA 0.439 4.962 4.527 -0.007 0.000 0.308 463 F C 1.196 176.894 175.800 -0.171 0.000 1.097 463 F CA -0.712 57.225 58.000 -0.104 0.000 0.953 463 F CB 1.540 40.463 39.000 -0.128 0.000 1.287 463 F HN 0.496 nan 8.300 nan 0.000 0.446 464 E N 1.363 121.487 120.200 -0.127 0.000 3.257 464 E HA 0.422 4.768 4.350 -0.007 0.000 0.402 464 E C 0.995 177.526 176.600 -0.115 0.000 0.383 464 E CA 0.467 56.691 56.400 -0.293 0.000 2.262 464 E CB -0.033 29.265 29.700 -0.671 0.000 2.162 464 E HN 0.933 nan 8.360 nan 0.000 0.484 465 G N 0.980 109.711 108.800 -0.115 0.000 2.323 465 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.292 465 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.292 465 G C -0.483 174.440 174.900 0.037 0.000 1.040 465 G CA 0.650 45.720 45.100 -0.050 0.000 0.942 465 G HN 0.375 nan 8.290 nan 0.000 0.506 466 V N -0.921 119.023 119.914 0.049 0.000 2.969 466 V HA 0.655 4.771 4.120 -0.007 0.000 0.304 466 V C -0.305 175.871 176.094 0.137 0.000 1.192 466 V CA -1.073 61.330 62.300 0.171 0.000 0.962 466 V CB 2.095 34.002 31.823 0.141 0.000 1.045 466 V HN 0.257 nan 8.190 nan 0.000 0.428 467 N N 4.222 123.031 118.700 0.182 0.000 3.050 467 N HA 0.406 5.142 4.740 -0.007 0.000 0.289 467 N C 0.461 175.931 175.510 -0.067 0.000 1.209 467 N CA 0.816 53.814 53.050 -0.087 0.000 1.154 467 N CB 0.420 38.575 38.487 -0.554 0.000 1.444 467 N HN 0.953 nan 8.380 nan 0.000 0.529 468 G N 0.127 108.855 108.800 -0.119 0.000 2.631 468 G HA2 -0.003 3.953 3.960 -0.007 0.000 0.271 468 G HA3 -0.003 3.953 3.960 -0.007 0.000 0.271 468 G C 0.969 175.587 174.900 -0.471 0.000 1.302 468 G CA -0.511 44.282 45.100 -0.512 0.000 1.002 468 G HN 0.470 nan 8.290 nan 0.000 0.519 469 L N 0.103 120.940 121.223 -0.643 0.000 2.450 469 L HA -0.011 4.325 4.340 -0.007 0.000 0.224 469 L C 2.855 179.862 176.870 0.227 0.000 1.149 469 L CA 1.987 56.721 54.840 -0.178 0.000 0.816 469 L CB -0.571 41.365 42.059 -0.204 0.000 0.932 469 L HN 0.861 nan 8.230 nan 0.000 0.449 470 E N -2.140 118.190 120.200 0.218 0.000 2.265 470 E HA -0.256 4.090 4.350 -0.007 0.000 0.196 470 E C 1.569 177.868 176.600 -0.501 0.000 0.996 470 E CA 0.772 57.314 56.400 0.236 0.000 0.832 470 E CB -0.332 29.687 29.700 0.531 0.000 0.756 470 E HN 0.478 nan 8.360 nan 0.000 0.491 471 Q N 0.113 119.695 119.800 -0.364 0.000 2.291 471 Q HA -0.052 4.284 4.340 -0.007 0.000 0.206 471 Q C 1.846 177.457 176.000 -0.647 0.000 0.976 471 Q CA 0.932 56.395 55.803 -0.567 0.000 0.875 471 Q CB -0.142 28.499 28.738 -0.161 0.000 0.927 471 Q HN 0.475 nan 8.270 nan 0.000 0.450 472 M N -0.123 119.273 119.600 -0.340 0.000 2.686 472 M HA -0.030 4.446 4.480 -0.007 0.000 0.246 472 M C 1.195 177.340 176.300 -0.257 0.000 1.096 472 M CA 0.840 56.079 55.300 -0.102 0.000 1.076 472 M CB -0.291 32.384 32.600 0.125 0.000 1.504 472 M HN 0.061 nan 8.290 nan 0.000 0.524 473 K N -0.889 119.103 120.400 -0.681 0.000 2.400 473 K HA -0.074 4.242 4.320 -0.007 0.000 0.194 473 K C 1.032 177.577 176.600 -0.092 0.000 1.033 473 K CA 0.845 56.780 56.287 -0.587 0.000 1.021 473 K CB 0.270 32.236 32.500 -0.891 0.000 0.808 473 K HN 0.563 nan 8.250 nan 0.000 0.505 474 W N -2.562 118.811 121.300 0.121 0.000 1.425 474 W HA 0.355 5.012 4.660 -0.005 0.000 0.185 474 W C -0.388 176.227 176.519 0.161 0.000 0.771 474 W CA -0.587 56.851 57.345 0.154 0.000 0.826 474 W CB -0.325 29.245 29.460 0.184 0.000 0.831 474 W HN -0.347 nan 8.180 nan 0.000 0.503 475 S N 2.348 118.189 115.700 0.236 0.000 2.576 475 S HA 0.370 4.836 4.470 -0.007 0.000 0.276 475 S C 0.716 175.524 174.600 0.347 0.000 1.339 475 S CA 0.231 58.621 58.200 0.317 0.000 1.039 475 S CB 0.866 64.171 63.200 0.174 0.000 0.902 475 S HN 0.286 nan 8.310 nan 0.000 0.516 476 S N 2.647 118.519 115.700 0.287 0.000 2.614 476 S HA 0.272 4.738 4.470 -0.007 0.000 0.265 476 S C -2.138 172.675 174.600 0.355 0.000 1.303 476 S CA -1.153 57.207 58.200 0.266 0.000 1.000 476 S CB 0.246 63.554 63.200 0.180 0.000 0.935 476 S HN 0.342 nan 8.310 nan 0.000 0.551 477 P HA -0.100 nan 4.420 nan 0.000 0.222 477 P C 1.495 178.928 177.300 0.221 0.000 1.142 477 P CA 1.401 64.736 63.100 0.392 0.000 0.788 477 P CB -0.204 31.665 31.700 0.281 0.000 0.767 478 S N -2.031 113.772 115.700 0.172 0.000 2.447 478 S HA -0.036 4.430 4.470 -0.007 0.000 0.233 478 S C 0.901 175.573 174.600 0.120 0.000 1.006 478 S CA 0.277 58.553 58.200 0.126 0.000 0.957 478 S CB -1.162 62.102 63.200 0.107 0.000 0.773 478 S HN -0.094 nan 8.310 nan 0.000 0.507 479 V N 3.485 123.470 119.914 0.118 0.000 2.415 479 V HA 0.211 4.327 4.120 -0.007 0.000 0.267 479 V C 0.091 176.225 176.094 0.066 0.000 1.042 479 V CA -0.314 62.031 62.300 0.075 0.000 1.000 479 V CB 0.602 32.455 31.823 0.049 0.000 1.015 479 V HN 0.318 nan 8.190 nan 0.000 0.478 480 D N 4.171 124.645 120.400 0.124 0.000 2.494 480 D HA 0.137 4.773 4.640 -0.007 0.000 0.217 480 D C 0.975 177.392 176.300 0.195 0.000 1.153 480 D CA -0.154 53.975 54.000 0.215 0.000 0.954 480 D CB 1.324 42.295 40.800 0.285 0.000 1.034 480 D HN 0.568 nan 8.370 nan 0.000 0.518 481 Q N 2.098 121.972 119.800 0.123 0.000 2.084 481 Q HA -0.094 4.242 4.340 -0.007 0.000 0.202 481 Q C 1.747 177.848 176.000 0.168 0.000 0.978 481 Q CA 1.205 57.097 55.803 0.149 0.000 0.844 481 Q CB -0.108 28.662 28.738 0.053 0.000 0.898 481 Q HN 0.377 nan 8.270 nan 0.000 0.426 482 V N 0.641 120.570 119.914 0.027 0.000 2.332 482 V HA -0.292 3.824 4.120 -0.007 0.000 0.248 482 V C 2.245 178.272 176.094 -0.112 0.000 1.055 482 V CA 2.136 64.295 62.300 -0.236 0.000 1.038 482 V CB -0.533 30.708 31.823 -0.971 0.000 0.651 482 V HN 0.336 nan 8.190 nan 0.000 0.450 483 K N -0.461 119.958 120.400 0.033 0.000 2.057 483 K HA -0.215 4.101 4.320 -0.007 0.000 0.206 483 K C 2.083 178.813 176.600 0.218 0.000 1.050 483 K CA 1.713 58.076 56.287 0.127 0.000 0.935 483 K CB -0.722 31.910 32.500 0.221 0.000 0.715 483 K HN 0.477 nan 8.250 nan 0.000 0.439 484 Y N 1.689 122.079 120.300 0.150 0.000 2.207 484 Y HA -0.222 4.324 4.550 -0.006 0.000 0.287 484 Y C 1.391 177.425 175.900 0.224 0.000 1.156 484 Y CA 2.139 60.368 58.100 0.215 0.000 1.182 484 Y CB -0.361 38.220 38.460 0.203 0.000 0.979 484 Y HN 0.220 nan 8.280 nan 0.000 0.521 485 D N -0.533 119.991 120.400 0.208 0.000 2.149 485 D HA -0.157 4.479 4.640 -0.007 0.000 0.198 485 D C 2.057 178.410 176.300 0.087 0.000 0.990 485 D CA 1.960 56.050 54.000 0.150 0.000 0.839 485 D CB -0.464 40.376 40.800 0.067 0.000 0.948 485 D HN 0.401 nan 8.370 nan 0.000 0.460 486 V N -2.322 117.632 119.914 0.067 0.000 3.623 486 V HA 0.107 4.223 4.120 -0.007 0.000 0.271 486 V C 1.692 177.889 176.094 0.173 0.000 1.248 486 V CA 0.324 62.688 62.300 0.107 0.000 1.156 486 V CB -0.088 31.787 31.823 0.087 0.000 0.870 486 V HN -0.003 nan 8.190 nan 0.000 0.453 487 M N 0.998 120.648 119.600 0.083 0.000 2.718 487 M HA 0.301 4.777 4.480 -0.007 0.000 0.259 487 M C 2.286 178.565 176.300 -0.036 0.000 1.240 487 M CA 1.494 56.816 55.300 0.036 0.000 1.210 487 M CB -0.328 32.294 32.600 0.038 0.000 1.281 487 M HN 0.527 nan 8.290 nan 0.000 0.515 488 I N -0.559 119.914 120.570 -0.161 0.000 2.530 488 I HA -0.112 4.054 4.170 -0.007 0.000 0.257 488 I C -0.996 174.988 176.117 -0.220 0.000 1.179 488 I CA 1.033 62.203 61.300 -0.217 0.000 1.440 488 I CB -2.244 35.480 38.000 -0.461 0.000 1.087 488 I HN 0.095 nan 8.210 nan 0.000 0.440 489 P HA -0.043 nan 4.420 nan 0.000 0.226 489 P C 1.065 178.048 177.300 -0.528 0.000 1.153 489 P CA 1.402 64.254 63.100 -0.413 0.000 0.777 489 P CB -0.087 31.284 31.700 -0.547 0.000 0.794 490 F N -2.706 117.149 119.950 -0.158 0.000 2.678 490 F HA 0.288 4.811 4.527 -0.007 0.000 0.305 490 F C 1.654 177.349 175.800 -0.175 0.000 1.090 490 F CA 0.154 58.058 58.000 -0.160 0.000 1.272 490 F CB 0.008 38.900 39.000 -0.179 0.000 1.060 490 F HN -0.165 nan 8.300 nan 0.000 0.576 491 I N -1.358 119.186 120.570 -0.044 0.000 4.061 491 I HA 0.117 4.283 4.170 -0.007 0.000 0.254 491 I C 2.207 178.329 176.117 0.007 0.000 1.038 491 I CA -0.238 61.017 61.300 -0.075 0.000 1.945 491 I CB -0.270 37.548 38.000 -0.303 0.000 1.592 491 I HN -0.261 nan 8.210 nan 0.000 0.449 492 R N 1.829 122.381 120.500 0.085 0.000 2.096 492 R HA -0.234 4.102 4.340 -0.007 0.000 0.240 492 R C 2.140 178.436 176.300 -0.007 0.000 1.139 492 R CA 2.280 58.440 56.100 0.099 0.000 0.952 492 R CB -0.806 29.578 30.300 0.140 0.000 0.854 492 R HN 0.428 nan 8.270 nan 0.000 0.436 493 Q N -0.330 119.421 119.800 -0.081 0.000 2.291 493 Q HA -0.071 4.265 4.340 -0.007 0.000 0.206 493 Q C 1.688 177.661 176.000 -0.045 0.000 0.976 493 Q CA 1.373 57.121 55.803 -0.092 0.000 0.875 493 Q CB 0.091 28.731 28.738 -0.164 0.000 0.927 493 Q HN 0.306 nan 8.270 nan 0.000 0.450 494 V N 0.102 119.990 119.914 -0.044 0.000 2.568 494 V HA -0.235 3.881 4.120 -0.007 0.000 0.253 494 V C 2.164 178.253 176.094 -0.008 0.000 1.072 494 V CA 1.874 64.159 62.300 -0.025 0.000 1.084 494 V CB -0.457 31.353 31.823 -0.023 0.000 0.676 494 V HN 0.393 nan 8.190 nan 0.000 0.469 495 S N -1.498 114.190 115.700 -0.021 0.000 2.436 495 S HA 0.317 4.783 4.470 -0.007 0.000 0.228 495 S C 0.787 175.332 174.600 -0.092 0.000 1.014 495 S CA 1.024 59.194 58.200 -0.051 0.000 0.950 495 S CB 0.053 63.218 63.200 -0.058 0.000 0.784 495 S HN 0.883 nan 8.310 nan 0.000 0.504 496 G N -0.010 108.755 108.800 -0.058 0.000 2.359 496 G HA2 0.271 4.227 3.960 -0.007 0.000 0.293 496 G HA3 0.271 4.227 3.960 -0.007 0.000 0.293 496 G C -3.409 171.497 174.900 0.010 0.000 1.300 496 G CA -1.047 44.012 45.100 -0.068 0.000 0.888 496 G HN 0.069 nan 8.290 nan 0.000 0.541 497 P HA 0.310 nan 4.420 nan 0.000 0.267 497 P C -0.189 177.206 177.300 0.159 0.000 1.195 497 P CA 0.587 63.803 63.100 0.195 0.000 0.773 497 P CB 0.295 32.169 31.700 0.290 0.000 0.837 498 M N 1.447 121.103 119.600 0.093 0.000 2.395 498 M HA 0.277 4.753 4.480 -0.007 0.000 0.307 498 M C -0.429 175.905 176.300 0.057 0.000 1.091 498 M CA -0.561 54.763 55.300 0.039 0.000 0.919 498 M CB 2.136 34.676 32.600 -0.100 0.000 1.662 498 M HN 0.105 nan 8.290 nan 0.000 0.440 499 D N 1.456 121.879 120.400 0.039 0.000 2.557 499 D HA 0.106 4.742 4.640 -0.007 0.000 0.236 499 D C 0.151 176.466 176.300 0.025 0.000 1.154 499 D CA -0.029 53.987 54.000 0.027 0.000 0.985 499 D CB 0.209 41.046 40.800 0.062 0.000 1.010 499 D HN 0.541 nan 8.370 nan 0.000 0.516 500 Y N 2.617 122.880 120.300 -0.062 0.000 2.475 500 Y HA -0.019 4.527 4.550 -0.006 0.000 0.289 500 Y C 0.968 176.876 175.900 0.012 0.000 1.121 500 Y CA 1.564 59.655 58.100 -0.015 0.000 1.257 500 Y CB -0.033 38.418 38.460 -0.014 0.000 1.026 500 Y HN 0.347 nan 8.280 nan 0.000 0.555 501 T N 0.038 114.652 114.554 0.099 0.000 3.501 501 T HA -0.246 4.100 4.350 -0.007 0.000 0.411 501 T C -0.260 174.422 174.700 -0.031 0.000 0.766 501 T CA 0.576 62.668 62.100 -0.014 0.000 2.129 501 T CB -2.003 66.860 68.868 -0.008 0.000 1.711 501 T HN 0.797 nan 8.240 nan 0.000 0.712 502 Q N 1.324 121.154 119.800 0.049 0.000 2.173 502 Q HA 0.629 4.965 4.340 -0.007 0.000 0.186 502 Q C 1.337 177.305 176.000 -0.053 0.000 1.018 502 Q CA 0.004 55.798 55.803 -0.016 0.000 1.064 502 Q CB 0.708 29.418 28.738 -0.047 0.000 1.130 502 Q HN 1.856 nan 8.270 nan 0.000 0.553 503 G N -1.440 107.379 108.800 0.032 0.000 2.148 503 G HA2 -0.035 3.921 3.960 -0.007 0.000 0.157 503 G HA3 -0.035 3.921 3.960 -0.007 0.000 0.157 503 G C 0.088 175.051 174.900 0.105 0.000 1.012 503 G CA -0.119 45.124 45.100 0.239 0.000 0.677 503 G HN 0.915 nan 8.290 nan 0.000 0.506 504 A N 0.502 123.276 122.820 -0.077 0.000 2.488 504 A HA 0.668 4.984 4.320 -0.007 0.000 0.249 504 A C 1.399 179.001 177.584 0.030 0.000 1.083 504 A CA 0.561 52.569 52.037 -0.049 0.000 0.768 504 A CB 0.173 19.195 19.000 0.038 0.000 1.017 504 A HN 0.300 nan 8.150 nan 0.000 0.496 505 M N 1.220 120.814 119.600 -0.009 0.000 2.510 505 M HA 0.109 4.585 4.480 -0.007 0.000 0.256 505 M C 1.096 177.420 176.300 0.040 0.000 1.132 505 M CA 0.758 56.054 55.300 -0.007 0.000 1.105 505 M CB -0.596 31.944 32.600 -0.100 0.000 1.375 505 M HN 0.763 nan 8.290 nan 0.000 0.477 506 R N 2.100 122.639 120.500 0.064 0.000 2.196 506 R HA 0.246 4.582 4.340 -0.007 0.000 0.340 506 R C -1.168 175.194 176.300 0.104 0.000 1.043 506 R CA 0.053 56.196 56.100 0.072 0.000 0.883 506 R CB 0.232 30.561 30.300 0.049 0.000 1.078 506 R HN 0.253 nan 8.270 nan 0.000 0.462 507 N N 2.128 120.892 118.700 0.106 0.000 2.372 507 N HA 0.377 5.113 4.740 -0.007 0.000 0.285 507 N C -1.405 174.192 175.510 0.146 0.000 1.008 507 N CA -0.612 52.515 53.050 0.128 0.000 0.880 507 N CB 2.260 40.820 38.487 0.122 0.000 1.239 507 N HN 0.484 nan 8.380 nan 0.000 0.484 508 A N 1.487 124.419 122.820 0.186 0.000 2.258 508 A HA 0.525 4.841 4.320 -0.007 0.000 0.316 508 A C 0.403 178.155 177.584 0.280 0.000 1.279 508 A CA -0.698 51.470 52.037 0.218 0.000 0.876 508 A CB 0.112 19.263 19.000 0.253 0.000 1.170 508 A HN 0.674 nan 8.150 nan 0.000 0.520 509 S N 2.398 118.244 115.700 0.243 0.000 2.606 509 S HA 0.242 4.708 4.470 -0.007 0.000 0.257 509 S C 0.369 175.126 174.600 0.261 0.000 1.327 509 S CA -0.463 57.916 58.200 0.298 0.000 0.984 509 S CB 0.186 63.510 63.200 0.207 0.000 0.941 509 S HN 0.730 nan 8.310 nan 0.000 0.576 510 K N 0.281 120.774 120.400 0.155 0.000 2.466 510 K HA 0.275 4.591 4.320 -0.007 0.000 0.278 510 K C 1.327 177.866 176.600 -0.101 0.000 1.048 510 K CA 1.050 57.173 56.287 -0.273 0.000 1.088 510 K CB -0.784 31.350 32.500 -0.609 0.000 0.884 510 K HN 1.058 nan 8.250 nan 0.000 0.478 511 G N 3.540 112.304 108.800 -0.060 0.000 2.217 511 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.246 511 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.246 511 G C 0.522 175.481 174.900 0.097 0.000 0.990 511 G CA 0.264 45.372 45.100 0.014 0.000 0.627 511 G HN 0.691 nan 8.290 nan 0.000 0.522 512 N N -0.687 118.102 118.700 0.148 0.000 2.280 512 N HA 0.233 4.969 4.740 -0.007 0.000 0.192 512 N C 0.385 176.054 175.510 0.264 0.000 1.109 512 N CA -0.075 53.088 53.050 0.188 0.000 0.855 512 N CB 0.033 38.620 38.487 0.166 0.000 0.974 512 N HN 0.631 nan 8.380 nan 0.000 0.482 513 Y N 1.728 122.123 120.300 0.159 0.000 2.346 513 Y HA 0.323 4.869 4.550 -0.007 0.000 0.330 513 Y C -0.778 175.243 175.900 0.203 0.000 1.178 513 Y CA -0.843 57.329 58.100 0.119 0.000 1.331 513 Y CB 0.165 38.697 38.460 0.119 0.000 1.253 513 Y HN 0.114 nan 8.280 nan 0.000 0.529 514 Y N 4.314 123.933 120.300 -1.135 0.000 2.521 514 Y HA 0.558 5.103 4.550 -0.007 0.000 0.332 514 Y C -3.254 172.052 175.900 -0.990 0.000 1.121 514 Y CA -3.286 54.252 58.100 -0.935 0.000 1.037 514 Y CB 0.786 39.032 38.460 -0.356 0.000 1.330 514 Y HN 0.468 nan 8.280 nan 0.000 0.452 515 P HA 0.149 nan 4.420 nan 0.000 0.271 515 P C -0.804 176.436 177.300 -0.099 0.000 1.226 515 P CA 0.238 63.205 63.100 -0.221 0.000 0.765 515 P CB 1.219 32.944 31.700 0.042 0.000 0.835 516 C N 5.343 124.528 119.300 -0.191 0.000 2.478 516 C HA 0.256 4.712 4.460 -0.007 0.000 0.334 516 C C 1.452 176.334 174.990 -0.181 0.000 1.106 516 C CA -0.542 58.404 59.018 -0.120 0.000 1.363 516 C CB -0.891 26.725 27.740 -0.207 0.000 1.941 516 C HN 0.740 nan 8.230 nan 0.000 0.436 517 Y N 3.970 124.171 120.300 -0.165 0.000 2.097 517 Y HA -0.147 4.400 4.550 -0.006 0.000 0.282 517 Y C 2.446 178.151 175.900 -0.325 0.000 1.152 517 Y CA 2.829 60.801 58.100 -0.212 0.000 1.136 517 Y CB 0.329 38.741 38.460 -0.079 0.000 0.975 517 Y HN 0.728 nan 8.280 nan 0.000 0.498 518 S N -1.329 114.330 115.700 -0.068 0.000 2.558 518 S HA 0.095 4.561 4.470 -0.007 0.000 0.217 518 S C 0.441 174.896 174.600 -0.242 0.000 0.975 518 S CA 0.331 58.444 58.200 -0.146 0.000 0.912 518 S CB 0.034 63.234 63.200 0.001 0.000 0.776 518 S HN 0.526 nan 8.310 nan 0.000 0.526 519 E N 2.193 122.230 120.200 -0.273 0.000 4.090 519 E HA 0.266 4.612 4.350 -0.007 0.000 0.235 519 E C -2.831 173.558 176.600 -0.351 0.000 1.187 519 E CA -1.706 54.535 56.400 -0.265 0.000 1.308 519 E CB 1.487 31.105 29.700 -0.137 0.000 1.222 519 E HN 0.445 nan 8.360 nan 0.000 0.414 520 P HA 0.061 nan 4.420 nan 0.000 0.271 520 P C -0.217 176.937 177.300 -0.242 0.000 1.244 520 P CA -0.038 62.702 63.100 -0.601 0.000 0.793 520 P CB 0.785 31.763 31.700 -1.204 0.000 0.984 521 M N -1.121 118.473 119.600 -0.011 0.000 2.618 521 M HA 0.581 5.057 4.480 -0.007 0.000 0.281 521 M C -0.602 175.887 176.300 0.314 0.000 1.267 521 M CA -0.900 54.508 55.300 0.182 0.000 0.845 521 M CB 2.149 34.774 32.600 0.041 0.000 1.732 521 M HN 0.312 nan 8.290 nan 0.000 0.461 522 S N 0.201 116.057 115.700 0.260 0.000 2.722 522 S HA 0.554 5.020 4.470 -0.007 0.000 0.292 522 S C -0.635 174.068 174.600 0.172 0.000 1.135 522 S CA -0.779 57.539 58.200 0.196 0.000 1.003 522 S CB 1.613 64.895 63.200 0.137 0.000 1.067 522 S HN 0.810 nan 8.310 nan 0.000 0.546 523 Q N 0.281 120.147 119.800 0.109 0.000 2.230 523 Q HA 0.613 4.949 4.340 -0.007 0.000 0.253 523 Q C 0.589 176.657 176.000 0.112 0.000 0.919 523 Q CA -0.013 55.890 55.803 0.167 0.000 0.908 523 Q CB 1.456 30.279 28.738 0.143 0.000 1.245 523 Q HN 1.235 nan 8.270 nan 0.000 0.437 524 G N 0.959 109.881 108.800 0.203 0.000 2.482 524 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.214 524 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.214 524 G C -0.276 174.691 174.900 0.112 0.000 1.271 524 G CA -0.397 44.741 45.100 0.063 0.000 0.944 524 G HN 0.808 nan 8.290 nan 0.000 0.568 525 T N -2.358 112.233 114.554 0.062 0.000 2.923 525 T HA 0.662 5.008 4.350 -0.007 0.000 0.281 525 T C 1.353 176.094 174.700 0.069 0.000 0.995 525 T CA 0.667 62.823 62.100 0.093 0.000 0.985 525 T CB 2.016 70.947 68.868 0.106 0.000 1.114 525 T HN 1.077 nan 8.240 nan 0.000 0.548 526 R N -0.145 120.413 120.500 0.097 0.000 2.081 526 R HA 0.028 4.364 4.340 -0.007 0.000 0.235 526 R C 2.179 178.477 176.300 -0.004 0.000 1.131 526 R CA 1.809 57.942 56.100 0.056 0.000 0.960 526 R CB -1.461 28.892 30.300 0.088 0.000 0.856 526 R HN 0.787 nan 8.270 nan 0.000 0.436 527 C N 0.339 119.660 119.300 0.034 0.000 2.432 527 C HA 0.069 4.525 4.460 -0.007 0.000 0.282 527 C C 2.616 177.569 174.990 -0.061 0.000 1.388 527 C CA 0.799 59.814 59.018 -0.005 0.000 1.777 527 C CB -1.070 26.732 27.740 0.103 0.000 1.882 527 C HN 0.550 nan 8.230 nan 0.000 0.520 528 R N 0.615 121.082 120.500 -0.055 0.000 2.073 528 R HA -0.153 4.183 4.340 -0.007 0.000 0.234 528 R C 2.315 178.520 176.300 -0.158 0.000 1.134 528 R CA 1.489 57.516 56.100 -0.122 0.000 0.952 528 R CB -0.234 29.998 30.300 -0.114 0.000 0.850 528 R HN 0.483 nan 8.270 nan 0.000 0.433 529 Q N 0.674 120.422 119.800 -0.087 0.000 2.061 529 Q HA -0.173 4.163 4.340 -0.007 0.000 0.204 529 Q C 2.321 178.341 176.000 0.034 0.000 0.984 529 Q CA 1.523 57.297 55.803 -0.048 0.000 0.846 529 Q CB -0.353 28.402 28.738 0.030 0.000 0.902 529 Q HN 0.441 nan 8.270 nan 0.000 0.421 530 L N 0.051 121.274 121.223 0.001 0.000 2.046 530 L HA -0.153 4.183 4.340 -0.007 0.000 0.208 530 L C 2.493 179.416 176.870 0.088 0.000 1.077 530 L CA 1.131 55.993 54.840 0.037 0.000 0.747 530 L CB -0.818 40.997 42.059 -0.406 0.000 0.896 530 L HN 0.119 nan 8.230 nan 0.000 0.432 531 A N 0.387 123.139 122.820 -0.113 0.000 1.933 531 A HA -0.151 4.165 4.320 -0.007 0.000 0.218 531 A C 2.255 179.680 177.584 -0.266 0.000 1.175 531 A CA 1.314 53.231 52.037 -0.200 0.000 0.628 531 A CB -0.705 18.110 19.000 -0.308 0.000 0.814 531 A HN 0.392 nan 8.150 nan 0.000 0.444 532 L N -2.036 118.950 121.223 -0.395 0.000 2.265 532 L HA -0.206 4.130 4.340 -0.007 0.000 0.215 532 L C 2.134 178.698 176.870 -0.511 0.000 1.117 532 L CA 1.071 55.458 54.840 -0.756 0.000 0.782 532 L CB -0.663 40.776 42.059 -1.034 0.000 0.914 532 L HN 0.475 nan 8.230 nan 0.000 0.441 533 Y N -1.119 119.073 120.300 -0.179 0.000 2.574 533 Y HA -0.120 4.426 4.550 -0.007 0.000 0.294 533 Y C 2.122 178.002 175.900 -0.033 0.000 1.142 533 Y CA 0.528 58.587 58.100 -0.069 0.000 1.314 533 Y CB -0.098 38.333 38.460 -0.049 0.000 0.991 533 Y HN -0.052 nan 8.280 nan 0.000 0.555 534 V N -2.778 117.131 119.914 -0.009 0.000 2.908 534 V HA -0.087 4.029 4.120 -0.007 0.000 0.240 534 V C 1.889 177.855 176.094 -0.214 0.000 1.117 534 V CA 0.633 62.864 62.300 -0.114 0.000 1.133 534 V CB -0.208 31.544 31.823 -0.118 0.000 0.857 534 V HN 0.042 nan 8.190 nan 0.000 0.478 535 V N -0.509 119.248 119.914 -0.261 0.000 2.358 535 V HA -0.109 4.007 4.120 -0.007 0.000 0.246 535 V C 1.034 177.105 176.094 -0.038 0.000 1.047 535 V CA 1.422 63.568 62.300 -0.256 0.000 1.035 535 V CB -0.508 31.075 31.823 -0.400 0.000 0.658 535 V HN 0.334 nan 8.190 nan 0.000 0.452 536 F N 0.230 120.034 119.950 -0.243 0.000 2.385 536 F HA 0.368 4.891 4.527 -0.007 0.000 0.336 536 F C 0.568 176.306 175.800 -0.104 0.000 1.100 536 F CA -0.873 57.000 58.000 -0.211 0.000 1.116 536 F CB 0.882 39.714 39.000 -0.279 0.000 1.166 536 F HN 0.087 nan 8.300 nan 0.000 0.511 537 E N 1.649 121.931 120.200 0.136 0.000 2.115 537 E HA 0.302 4.648 4.350 -0.007 0.000 0.282 537 E C -1.115 175.593 176.600 0.180 0.000 0.987 537 E CA -0.456 56.045 56.400 0.168 0.000 0.797 537 E CB 1.393 31.192 29.700 0.164 0.000 1.086 537 E HN 0.375 nan 8.360 nan 0.000 0.397 538 S N 4.309 120.124 115.700 0.192 0.000 2.385 538 S HA 0.169 4.635 4.470 -0.007 0.000 0.191 538 S C -2.251 172.440 174.600 0.151 0.000 1.196 538 S CA -0.927 57.364 58.200 0.152 0.000 1.178 538 S CB 1.141 64.395 63.200 0.090 0.000 1.258 538 S HN 0.354 nan 8.310 nan 0.000 0.430 539 P HA -0.092 nan 4.420 nan 0.000 0.216 539 P C 0.070 177.469 177.300 0.166 0.000 1.150 539 P CA 1.075 64.267 63.100 0.153 0.000 0.843 539 P CB 0.137 31.934 31.700 0.161 0.000 0.787 540 F N 0.248 120.177 119.950 -0.034 0.000 2.325 540 F HA 0.490 5.013 4.527 -0.007 0.000 0.369 540 F C -0.378 175.396 175.800 -0.044 0.000 1.095 540 F CA -1.552 56.405 58.000 -0.071 0.000 1.082 540 F CB -0.073 38.826 39.000 -0.167 0.000 1.289 540 F HN -0.293 nan 8.300 nan 0.000 0.462 541 N N 5.608 124.186 118.700 -0.202 0.000 2.361 541 N HA 0.446 5.182 4.740 -0.007 0.000 0.302 541 N C -0.750 174.618 175.510 -0.237 0.000 1.074 541 N CA -0.435 52.518 53.050 -0.162 0.000 0.850 541 N CB 1.536 40.040 38.487 0.028 0.000 1.228 541 N HN 0.382 nan 8.380 nan 0.000 0.491 542 M N 1.950 121.439 119.600 -0.187 0.000 2.409 542 M HA 0.383 4.859 4.480 -0.007 0.000 0.329 542 M C -0.534 175.848 176.300 0.136 0.000 1.180 542 M CA -0.763 54.470 55.300 -0.110 0.000 1.053 542 M CB 0.621 33.105 32.600 -0.192 0.000 1.586 542 M HN 0.262 nan 8.290 nan 0.000 0.461 543 L N 2.072 123.421 121.223 0.210 0.000 2.337 543 L HA 0.271 4.607 4.340 -0.007 0.000 0.269 543 L C 0.919 178.064 176.870 0.458 0.000 1.018 543 L CA -0.193 54.815 54.840 0.280 0.000 0.876 543 L CB 0.935 43.030 42.059 0.060 0.000 1.236 543 L HN 1.023 nan 8.230 nan 0.000 0.436 544 C N -0.539 118.971 119.300 0.350 0.000 2.432 544 C HA 0.045 4.501 4.460 -0.007 0.000 0.280 544 C C 1.139 176.325 174.990 0.327 0.000 1.353 544 C CA -0.072 59.109 59.018 0.271 0.000 1.766 544 C CB -0.353 27.109 27.740 -0.464 0.000 1.924 544 C HN 0.726 nan 8.230 nan 0.000 0.509 545 D N 1.555 122.110 120.400 0.259 0.000 2.398 545 D HA 0.264 4.900 4.640 -0.007 0.000 0.247 545 D C 0.410 176.728 176.300 0.030 0.000 1.227 545 D CA 0.729 54.771 54.000 0.071 0.000 0.980 545 D CB 1.389 41.920 40.800 -0.448 0.000 1.106 545 D HN 0.588 nan 8.370 nan 0.000 0.493 546 T N -1.364 113.116 114.554 -0.123 0.000 2.918 546 T HA 0.200 4.546 4.350 -0.007 0.000 0.302 546 T C -1.898 172.587 174.700 -0.358 0.000 1.045 546 T CA -1.137 60.862 62.100 -0.168 0.000 1.114 546 T CB 1.223 69.987 68.868 -0.174 0.000 0.965 546 T HN 0.098 nan 8.240 nan 0.000 0.540 547 P HA -0.055 nan 4.420 nan 0.000 0.219 547 P C 1.719 178.676 177.300 -0.571 0.000 1.146 547 P CA 0.858 63.319 63.100 -1.066 0.000 0.808 547 P CB -0.043 30.961 31.700 -1.159 0.000 0.779 548 S N -0.552 114.927 115.700 -0.367 0.000 2.359 548 S HA -0.171 4.295 4.470 -0.007 0.000 0.224 548 S C 1.803 176.302 174.600 -0.168 0.000 1.035 548 S CA 1.510 59.583 58.200 -0.212 0.000 1.018 548 S CB -1.093 62.007 63.200 -0.168 0.000 0.876 548 S HN 0.217 nan 8.310 nan 0.000 0.448 549 N N 0.314 118.875 118.700 -0.231 0.000 2.188 549 N HA -0.015 4.721 4.740 -0.007 0.000 0.184 549 N C 1.399 176.803 175.510 -0.177 0.000 1.018 549 N CA 0.988 53.908 53.050 -0.216 0.000 0.858 549 N CB -0.443 37.864 38.487 -0.300 0.000 0.989 549 N HN 0.401 nan 8.380 nan 0.000 0.426 550 Y N 0.565 120.807 120.300 -0.097 0.000 2.242 550 Y HA 0.031 4.577 4.550 -0.007 0.000 0.291 550 Y C 2.170 178.104 175.900 0.056 0.000 1.137 550 Y CA 0.810 58.907 58.100 -0.004 0.000 1.181 550 Y CB -0.376 38.101 38.460 0.029 0.000 0.989 550 Y HN 0.078 nan 8.280 nan 0.000 0.527 551 M N -1.032 118.653 119.600 0.141 0.000 2.476 551 M HA -0.128 4.348 4.480 -0.007 0.000 0.262 551 M C 1.747 178.110 176.300 0.104 0.000 1.079 551 M CA 1.270 56.657 55.300 0.144 0.000 1.104 551 M CB -0.115 32.541 32.600 0.093 0.000 1.409 551 M HN 0.066 nan 8.290 nan 0.000 0.467 552 R N 0.263 120.804 120.500 0.068 0.000 2.299 552 R HA 0.018 4.354 4.340 -0.007 0.000 0.197 552 R C -0.075 176.288 176.300 0.104 0.000 0.971 552 R CA 0.552 56.691 56.100 0.065 0.000 1.030 552 R CB 0.372 30.689 30.300 0.028 0.000 0.932 552 R HN 0.196 nan 8.270 nan 0.000 0.477 553 E N -0.199 120.083 120.200 0.137 0.000 3.568 553 E HA 0.144 4.490 4.350 -0.007 0.000 0.213 553 E C -2.231 174.486 176.600 0.195 0.000 1.197 553 E CA -1.746 54.758 56.400 0.173 0.000 1.126 553 E CB 1.465 31.259 29.700 0.158 0.000 1.285 553 E HN 0.011 nan 8.360 nan 0.000 0.418 554 P HA -0.204 nan 4.420 nan 0.000 0.216 554 P C 1.177 178.592 177.300 0.192 0.000 1.157 554 P CA 1.433 64.637 63.100 0.173 0.000 0.880 554 P CB 0.511 32.301 31.700 0.149 0.000 0.791 555 E N -0.653 119.693 120.200 0.244 0.000 2.028 555 E HA -0.111 4.235 4.350 -0.007 0.000 0.191 555 E C 2.142 178.922 176.600 0.300 0.000 0.988 555 E CA 1.381 57.986 56.400 0.341 0.000 0.799 555 E CB -0.543 29.430 29.700 0.455 0.000 0.755 555 E HN 0.200 nan 8.360 nan 0.000 0.447 556 S N 0.523 116.299 115.700 0.127 0.000 2.368 556 S HA -0.132 4.334 4.470 -0.007 0.000 0.225 556 S C 2.173 176.762 174.600 -0.017 0.000 1.030 556 S CA 1.493 59.626 58.200 -0.112 0.000 0.999 556 S CB -0.355 62.770 63.200 -0.125 0.000 0.844 556 S HN 0.273 nan 8.310 nan 0.000 0.459 557 T N 2.397 117.002 114.554 0.085 0.000 2.746 557 T HA -0.021 4.325 4.350 -0.007 0.000 0.267 557 T C 2.161 176.841 174.700 -0.033 0.000 1.039 557 T CA 1.216 63.336 62.100 0.033 0.000 1.142 557 T CB -0.498 68.463 68.868 0.154 0.000 0.866 557 T HN 0.465 nan 8.240 nan 0.000 0.444 558 A N 0.890 123.739 122.820 0.048 0.000 1.933 558 A HA -0.022 4.294 4.320 -0.007 0.000 0.218 558 A C 2.008 179.601 177.584 0.015 0.000 1.175 558 A CA 1.301 53.359 52.037 0.035 0.000 0.628 558 A CB -0.908 18.157 19.000 0.109 0.000 0.814 558 A HN 0.525 nan 8.150 nan 0.000 0.444 559 F N 0.577 120.467 119.950 -0.100 0.000 2.113 559 F HA -0.105 4.418 4.527 -0.007 0.000 0.297 559 F C 1.908 177.551 175.800 -0.262 0.000 1.103 559 F CA 1.750 59.658 58.000 -0.154 0.000 1.248 559 F CB -0.170 38.570 39.000 -0.433 0.000 0.999 559 F HN 0.167 nan 8.300 nan 0.000 0.475 560 I N 0.401 120.778 120.570 -0.322 0.000 2.252 560 I HA -0.254 3.912 4.170 -0.007 0.000 0.245 560 I C 2.692 178.467 176.117 -0.570 0.000 1.102 560 I CA 1.100 62.021 61.300 -0.632 0.000 1.385 560 I CB -0.941 36.666 38.000 -0.656 0.000 1.064 560 I HN 0.250 nan 8.210 nan 0.000 0.414 561 A N 1.262 123.847 122.820 -0.392 0.000 1.972 561 A HA -0.224 4.092 4.320 -0.007 0.000 0.219 561 A C 2.185 179.591 177.584 -0.297 0.000 1.169 561 A CA 1.970 53.812 52.037 -0.325 0.000 0.635 561 A CB -0.598 18.245 19.000 -0.261 0.000 0.810 561 A HN 0.671 nan 8.150 nan 0.000 0.446 562 E N -0.829 119.193 120.200 -0.296 0.000 2.400 562 E HA 0.190 4.536 4.350 -0.007 0.000 0.195 562 E C 0.822 177.237 176.600 -0.308 0.000 1.012 562 E CA -0.360 55.898 56.400 -0.236 0.000 0.875 562 E CB -0.300 29.326 29.700 -0.123 0.000 0.859 562 E HN 0.578 nan 8.360 nan 0.000 0.498 563 I N 3.632 123.885 120.570 -0.529 0.000 2.618 563 I HA 0.076 4.242 4.170 -0.007 0.000 0.284 563 I C -2.070 173.710 176.117 -0.563 0.000 1.146 563 I CA -2.255 58.592 61.300 -0.755 0.000 1.425 563 I CB 0.835 38.216 38.000 -1.031 0.000 1.383 563 I HN -0.020 nan 8.210 nan 0.000 0.562 564 P HA 0.079 nan 4.420 nan 0.000 0.274 564 P C -0.096 176.785 177.300 -0.699 0.000 1.256 564 P CA -0.145 62.526 63.100 -0.714 0.000 0.795 564 P CB 0.639 31.774 31.700 -0.942 0.000 1.038 565 T N -3.450 110.798 114.554 -0.509 0.000 3.044 565 T HA 0.284 4.630 4.350 -0.007 0.000 0.260 565 T C 0.349 174.876 174.700 -0.288 0.000 1.019 565 T CA -0.082 61.873 62.100 -0.241 0.000 0.921 565 T CB -0.142 68.691 68.868 -0.058 0.000 1.053 565 T HN 0.150 nan 8.240 nan 0.000 0.533 566 V N 1.222 120.755 119.914 -0.635 0.000 2.789 566 V HA 0.687 4.803 4.120 -0.007 0.000 0.311 566 V C -1.610 174.018 176.094 -0.776 0.000 1.073 566 V CA -1.309 60.743 62.300 -0.413 0.000 0.921 566 V CB 2.106 33.876 31.823 -0.089 0.000 1.009 566 V HN 0.538 nan 8.190 nan 0.000 0.426 567 W N 1.273 122.527 121.300 -0.077 0.000 2.902 567 W HA 0.600 5.255 4.660 -0.007 0.000 0.346 567 W C 0.501 176.924 176.519 -0.160 0.000 1.139 567 W CA -0.660 56.604 57.345 -0.136 0.000 1.139 567 W CB 1.123 30.481 29.460 -0.169 0.000 1.439 567 W HN 0.439 nan 8.180 nan 0.000 0.558 568 D N 0.073 120.518 120.400 0.076 0.000 2.355 568 D HA 0.004 4.640 4.640 -0.007 0.000 0.206 568 D C -0.232 176.031 176.300 -0.062 0.000 1.010 568 D CA 0.917 54.896 54.000 -0.035 0.000 0.875 568 D CB 0.793 41.549 40.800 -0.074 0.000 0.966 568 D HN 0.493 nan 8.370 nan 0.000 0.512 569 E N -0.298 119.852 120.200 -0.083 0.000 2.363 569 E HA 0.379 4.725 4.350 -0.007 0.000 0.281 569 E C -1.658 174.829 176.600 -0.189 0.000 0.953 569 E CA -0.431 55.891 56.400 -0.130 0.000 0.778 569 E CB 1.605 31.222 29.700 -0.140 0.000 1.220 569 E HN -0.268 nan 8.360 nan 0.000 0.431 570 S N 3.457 119.053 115.700 -0.172 0.000 2.571 570 S HA 0.582 5.048 4.470 -0.007 0.000 0.284 570 S C -0.888 173.617 174.600 -0.159 0.000 1.128 570 S CA -0.557 57.499 58.200 -0.240 0.000 0.970 570 S CB 0.868 63.869 63.200 -0.331 0.000 1.039 570 S HN 0.423 nan 8.310 nan 0.000 0.485 571 I N 2.501 122.977 120.570 -0.157 0.000 2.468 571 I HA 0.330 4.496 4.170 -0.007 0.000 0.285 571 I C -0.795 175.226 176.117 -0.161 0.000 1.039 571 I CA -0.920 60.303 61.300 -0.128 0.000 1.074 571 I CB 1.939 39.875 38.000 -0.106 0.000 1.228 571 I HN 0.270 nan 8.210 nan 0.000 0.436 572 V N 7.100 126.936 119.914 -0.130 0.000 2.372 572 V HA 0.137 4.253 4.120 -0.007 0.000 0.261 572 V C 1.251 177.310 176.094 -0.059 0.000 1.055 572 V CA -0.104 62.124 62.300 -0.119 0.000 0.930 572 V CB 0.846 32.598 31.823 -0.119 0.000 1.031 572 V HN 0.696 nan 8.190 nan 0.000 0.479 573 L N 2.462 123.658 121.223 -0.045 0.000 2.093 573 L HA 0.076 4.412 4.340 -0.007 0.000 0.208 573 L C 0.801 177.709 176.870 0.063 0.000 1.085 573 L CA 1.359 56.209 54.840 0.017 0.000 0.755 573 L CB -0.026 42.062 42.059 0.048 0.000 0.904 573 L HN 0.721 nan 8.230 nan 0.000 0.435 574 D N -2.378 118.072 120.400 0.084 0.000 2.742 574 D HA 0.548 5.183 4.640 -0.007 0.000 0.262 574 D C -1.059 175.301 176.300 0.100 0.000 1.240 574 D CA 0.389 54.466 54.000 0.129 0.000 0.752 574 D CB 1.807 42.744 40.800 0.228 0.000 1.290 574 D HN 0.060 nan 8.370 nan 0.000 0.420 575 G N 0.763 109.549 108.800 -0.024 0.000 2.404 575 G HA2 0.498 4.454 3.960 -0.007 0.000 0.298 575 G HA3 0.498 4.454 3.960 -0.007 0.000 0.298 575 G C -1.910 172.715 174.900 -0.459 0.000 1.577 575 G CA -0.815 44.130 45.100 -0.257 0.000 0.847 575 G HN 0.382 nan 8.290 nan 0.000 0.598 576 K N 1.278 121.194 120.400 -0.807 0.000 2.578 576 K HA 0.556 4.872 4.320 -0.007 0.000 0.250 576 K C 0.202 176.316 176.600 -0.811 0.000 0.955 576 K CA -0.790 55.091 56.287 -0.677 0.000 0.825 576 K CB 1.507 33.717 32.500 -0.483 0.000 1.151 576 K HN 0.684 nan 8.250 nan 0.000 0.432 577 M N 3.589 122.494 119.600 -1.158 0.000 2.336 577 M HA 0.080 4.556 4.480 -0.007 0.000 0.371 577 M C 0.790 176.811 176.300 -0.465 0.000 1.542 577 M CA 2.426 57.013 55.300 -1.187 0.000 0.959 577 M CB -0.208 31.853 32.600 -0.897 0.000 2.033 577 M HN 0.954 nan 8.290 nan 0.000 0.472 578 G N 3.594 112.257 108.800 -0.228 0.000 2.148 578 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.254 578 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.254 578 G C 0.318 175.210 174.900 -0.013 0.000 0.981 578 G CA 0.691 45.755 45.100 -0.060 0.000 0.670 578 G HN 0.837 nan 8.290 nan 0.000 0.528 579 E N -2.279 117.904 120.200 -0.029 0.000 2.717 579 E HA 0.387 4.733 4.350 -0.007 0.000 0.204 579 E C 0.379 177.115 176.600 0.228 0.000 0.911 579 E CA 0.571 57.025 56.400 0.090 0.000 1.370 579 E CB 0.890 30.658 29.700 0.113 0.000 1.315 579 E HN 0.986 nan 8.360 nan 0.000 0.643 580 Y N -1.044 119.295 120.300 0.064 0.000 2.810 580 Y HA 0.596 5.142 4.550 -0.007 0.000 0.355 580 Y C -1.872 174.124 175.900 0.160 0.000 1.211 580 Y CA -1.354 56.794 58.100 0.080 0.000 1.112 580 Y CB 1.080 39.571 38.460 0.052 0.000 1.383 580 Y HN -0.087 nan 8.280 nan 0.000 0.458 581 I N 1.845 122.540 120.570 0.209 0.000 2.785 581 I HA 0.662 4.828 4.170 -0.007 0.000 0.293 581 I C -2.027 174.150 176.117 0.099 0.000 1.446 581 I CA -0.909 60.447 61.300 0.094 0.000 1.028 581 I CB 2.196 40.154 38.000 -0.071 0.000 1.349 581 I HN 0.669 nan 8.210 nan 0.000 0.438 582 V N 5.368 125.336 119.914 0.090 0.000 2.525 582 V HA 0.601 4.717 4.120 -0.007 0.000 0.299 582 V C -0.444 175.623 176.094 -0.044 0.000 1.034 582 V CA -0.321 62.010 62.300 0.052 0.000 0.863 582 V CB 1.921 33.868 31.823 0.207 0.000 0.999 582 V HN 0.787 nan 8.190 nan 0.000 0.423 583 T N 3.635 118.107 114.554 -0.137 0.000 2.876 583 T HA 0.810 5.156 4.350 -0.007 0.000 0.289 583 T C -0.306 174.257 174.700 -0.229 0.000 1.014 583 T CA -0.429 61.553 62.100 -0.197 0.000 0.986 583 T CB 1.948 70.665 68.868 -0.251 0.000 1.021 583 T HN 0.929 nan 8.240 nan 0.000 0.458 584 A N 3.190 125.840 122.820 -0.284 0.000 2.355 584 A HA 0.885 5.201 4.320 -0.007 0.000 0.317 584 A C -0.386 177.048 177.584 -0.251 0.000 1.094 584 A CA -0.864 50.986 52.037 -0.311 0.000 0.764 584 A CB 1.068 19.601 19.000 -0.779 0.000 1.230 584 A HN 0.798 nan 8.150 nan 0.000 0.448 585 R N 0.582 120.920 120.500 -0.269 0.000 2.771 585 R HA 0.663 4.999 4.340 -0.007 0.000 0.274 585 R C -0.719 175.323 176.300 -0.430 0.000 0.987 585 R CA -0.850 54.909 56.100 -0.570 0.000 0.908 585 R CB 2.783 32.147 30.300 -1.560 0.000 1.213 585 R HN 0.801 nan 8.270 nan 0.000 0.468 586 R N 1.631 121.807 120.500 -0.539 0.000 2.686 586 R HA 0.402 4.738 4.340 -0.007 0.000 0.286 586 R C -1.405 174.872 176.300 -0.038 0.000 0.969 586 R CA -0.820 54.875 56.100 -0.675 0.000 0.898 586 R CB 1.514 30.746 30.300 -1.779 0.000 1.183 586 R HN 0.377 nan 8.270 nan 0.000 0.456 587 K N 2.842 123.247 120.400 0.008 0.000 2.579 587 K HA 0.418 4.734 4.320 -0.007 0.000 0.250 587 K C 0.094 176.651 176.600 -0.072 0.000 0.952 587 K CA 0.517 56.784 56.287 -0.033 0.000 0.857 587 K CB 1.408 33.828 32.500 -0.133 0.000 1.123 587 K HN 0.789 nan 8.250 nan 0.000 0.433 588 G N 4.009 112.759 108.800 -0.083 0.000 2.602 588 G HA2 -0.385 3.571 3.960 -0.007 0.000 0.310 588 G HA3 -0.385 3.571 3.960 -0.007 0.000 0.310 588 G C 0.335 175.213 174.900 -0.036 0.000 1.183 588 G CA 0.711 45.781 45.100 -0.050 0.000 0.979 588 G HN 0.648 nan 8.290 nan 0.000 0.545 589 D N -0.042 120.367 120.400 0.015 0.000 2.398 589 D HA 0.413 5.049 4.640 -0.007 0.000 0.210 589 D C 0.495 176.889 176.300 0.156 0.000 1.094 589 D CA 0.267 54.323 54.000 0.094 0.000 0.839 589 D CB 1.007 41.871 40.800 0.107 0.000 0.963 589 D HN 0.401 nan 8.370 nan 0.000 0.506 590 V N 0.990 120.946 119.914 0.070 0.000 2.472 590 V HA 0.384 4.500 4.120 -0.007 0.000 0.290 590 V C -0.555 175.564 176.094 0.042 0.000 1.037 590 V CA -0.850 61.509 62.300 0.099 0.000 0.908 590 V CB 1.184 33.055 31.823 0.079 0.000 0.985 590 V HN 0.069 nan 8.190 nan 0.000 0.454 591 W N 3.053 124.365 121.300 0.020 0.000 2.578 591 W HA 0.708 5.363 4.660 -0.007 0.000 0.346 591 W C -0.863 175.601 176.519 -0.092 0.000 1.075 591 W CA -0.366 57.009 57.345 0.050 0.000 1.233 591 W CB 1.508 31.010 29.460 0.070 0.000 1.358 591 W HN 0.430 nan 8.180 nan 0.000 0.574 592 Y N 1.165 121.663 120.300 0.330 0.000 2.457 592 Y HA 0.609 5.155 4.550 -0.007 0.000 0.343 592 Y C -0.461 175.494 175.900 0.092 0.000 0.994 592 Y CA -1.141 57.091 58.100 0.220 0.000 1.031 592 Y CB 1.835 40.413 38.460 0.198 0.000 1.246 592 Y HN -0.018 nan 8.280 nan 0.000 0.449 593 V N 2.062 122.140 119.914 0.273 0.000 2.735 593 V HA 0.929 5.045 4.120 -0.007 0.000 0.310 593 V C -0.209 175.867 176.094 -0.029 0.000 1.061 593 V CA -0.765 61.600 62.300 0.109 0.000 0.913 593 V CB 2.022 33.990 31.823 0.243 0.000 1.005 593 V HN 0.899 nan 8.190 nan 0.000 0.428 594 G N 1.356 110.002 108.800 -0.257 0.000 2.682 594 G HA2 0.739 4.695 3.960 -0.007 0.000 0.300 594 G HA3 0.739 4.695 3.960 -0.007 0.000 0.300 594 G C -0.689 173.801 174.900 -0.684 0.000 1.391 594 G CA -0.321 44.477 45.100 -0.503 0.000 0.990 594 G HN 1.120 nan 8.290 nan 0.000 0.501 595 G N 0.231 108.400 108.800 -1.052 0.000 2.682 595 G HA2 0.748 4.704 3.960 -0.007 0.000 0.300 595 G HA3 0.748 4.704 3.960 -0.007 0.000 0.300 595 G C -0.715 174.015 174.900 -0.283 0.000 1.391 595 G CA -0.673 44.090 45.100 -0.561 0.000 0.990 595 G HN 1.236 nan 8.290 nan 0.000 0.501 596 I N -1.326 119.182 120.570 -0.104 0.000 2.969 596 I HA 0.902 5.068 4.170 -0.007 0.000 0.307 596 I C -0.670 175.468 176.117 0.035 0.000 1.149 596 I CA -0.896 60.359 61.300 -0.075 0.000 1.008 596 I CB 2.515 40.415 38.000 -0.167 0.000 1.232 596 I HN 0.539 nan 8.210 nan 0.000 0.435 597 T N 0.825 115.380 114.554 0.002 0.000 2.864 597 T HA 0.450 4.796 4.350 -0.007 0.000 0.289 597 T C -0.679 173.994 174.700 -0.045 0.000 1.082 597 T CA -0.305 61.822 62.100 0.045 0.000 1.009 597 T CB 1.615 70.497 68.868 0.022 0.000 1.234 597 T HN 0.904 nan 8.240 nan 0.000 0.526 598 D N 0.225 120.620 120.400 -0.007 0.000 2.301 598 D HA 0.110 4.746 4.640 -0.007 0.000 0.287 598 D C 1.014 177.237 176.300 -0.129 0.000 1.179 598 D CA -0.225 53.720 54.000 -0.092 0.000 1.060 598 D CB -0.310 40.511 40.800 0.036 0.000 1.135 598 D HN 0.763 nan 8.370 nan 0.000 0.531 599 W N 0.122 121.471 121.300 0.081 0.000 3.077 599 W HA 0.112 4.768 4.660 -0.007 0.000 0.245 599 W C 0.556 177.114 176.519 0.065 0.000 1.316 599 W CA 0.118 57.507 57.345 0.075 0.000 1.537 599 W CB 0.079 29.584 29.460 0.076 0.000 1.131 599 W HN 0.204 nan 8.180 nan 0.000 0.695 600 S N 0.293 116.134 115.700 0.236 0.000 2.462 600 S HA 0.748 5.214 4.470 -0.007 0.000 0.294 600 S C 0.078 174.737 174.600 0.100 0.000 1.144 600 S CA -1.094 57.206 58.200 0.166 0.000 1.088 600 S CB 1.697 64.973 63.200 0.127 0.000 1.009 600 S HN 0.097 nan 8.310 nan 0.000 0.484 601 A N 2.836 125.711 122.820 0.092 0.000 2.520 601 A HA 0.537 4.853 4.320 -0.007 0.000 0.235 601 A C 0.518 178.098 177.584 -0.006 0.000 1.065 601 A CA -0.225 51.827 52.037 0.026 0.000 0.764 601 A CB 0.107 19.181 19.000 0.123 0.000 1.002 601 A HN 0.966 nan 8.150 nan 0.000 0.502 602 R N 0.939 121.374 120.500 -0.109 0.000 2.604 602 R HA 0.301 4.637 4.340 -0.007 0.000 0.270 602 R C -1.986 174.252 176.300 -0.104 0.000 1.052 602 R CA -0.636 55.408 56.100 -0.093 0.000 0.902 602 R CB 1.519 31.741 30.300 -0.130 0.000 1.233 602 R HN 0.803 nan 8.270 nan 0.000 0.455 603 D N 4.816 125.187 120.400 -0.048 0.000 2.280 603 D HA 0.380 5.016 4.640 -0.007 0.000 0.236 603 D C -0.136 176.104 176.300 -0.100 0.000 1.082 603 D CA -0.019 53.965 54.000 -0.027 0.000 0.834 603 D CB 1.634 42.446 40.800 0.019 0.000 1.100 603 D HN 0.371 nan 8.370 nan 0.000 0.486 604 I N 1.121 121.623 120.570 -0.113 0.000 2.646 604 I HA 0.252 4.418 4.170 -0.007 0.000 0.299 604 I C 0.080 176.129 176.117 -0.113 0.000 1.036 604 I CA -0.784 60.449 61.300 -0.113 0.000 1.074 604 I CB 2.567 40.530 38.000 -0.062 0.000 1.258 604 I HN 0.169 nan 8.210 nan 0.000 0.430 605 E N 4.478 124.640 120.200 -0.064 0.000 2.199 605 E HA 0.490 4.836 4.350 -0.007 0.000 0.265 605 E C -1.714 174.884 176.600 -0.004 0.000 0.882 605 E CA -0.641 55.727 56.400 -0.054 0.000 0.759 605 E CB 2.107 31.784 29.700 -0.039 0.000 1.148 605 E HN 0.316 nan 8.360 nan 0.000 0.412 606 V N 4.374 124.286 119.914 -0.003 0.000 2.350 606 V HA 0.135 4.251 4.120 -0.007 0.000 0.276 606 V C -0.113 176.006 176.094 0.041 0.000 1.028 606 V CA -0.729 61.620 62.300 0.081 0.000 0.860 606 V CB 1.272 33.181 31.823 0.143 0.000 0.990 606 V HN 0.671 nan 8.190 nan 0.000 0.453 607 D N 3.907 124.340 120.400 0.054 0.000 2.339 607 D HA 0.135 4.771 4.640 -0.007 0.000 0.241 607 D C 0.566 176.789 176.300 -0.128 0.000 1.183 607 D CA -0.343 53.642 54.000 -0.025 0.000 0.859 607 D CB 1.310 42.111 40.800 0.001 0.000 1.067 607 D HN 0.611 nan 8.370 nan 0.000 0.484 608 C N 2.984 122.080 119.300 -0.339 0.000 2.449 608 C HA 0.001 4.457 4.460 -0.007 0.000 0.322 608 C C 2.324 176.778 174.990 -0.894 0.000 1.309 608 C CA 0.176 58.663 59.018 -0.885 0.000 1.657 608 C CB -2.224 25.128 27.740 -0.646 0.000 1.718 608 C HN 0.664 nan 8.230 nan 0.000 0.596 609 S N 1.233 116.642 115.700 -0.484 0.000 2.500 609 S HA -0.180 4.286 4.470 -0.007 0.000 0.239 609 S C 1.268 175.679 174.600 -0.315 0.000 0.989 609 S CA 1.040 59.057 58.200 -0.304 0.000 0.951 609 S CB -0.759 62.364 63.200 -0.129 0.000 0.759 609 S HN 0.731 nan 8.310 nan 0.000 0.523 610 F N 1.000 120.765 119.950 -0.309 0.000 2.558 610 F HA 0.451 4.974 4.527 -0.007 0.000 0.298 610 F C 0.687 176.126 175.800 -0.601 0.000 1.119 610 F CA -0.976 56.766 58.000 -0.430 0.000 1.451 610 F CB -0.813 37.832 39.000 -0.593 0.000 1.091 610 F HN 0.067 nan 8.300 nan 0.000 0.563 611 L N 0.797 121.476 121.223 -0.907 0.000 2.474 611 L HA 0.366 4.702 4.340 -0.007 0.000 0.259 611 L C 1.448 178.233 176.870 -0.142 0.000 1.232 611 L CA -0.082 54.341 54.840 -0.695 0.000 0.821 611 L CB -0.090 41.456 42.059 -0.855 0.000 1.108 611 L HN 0.287 nan 8.230 nan 0.000 0.495 612 G N -0.769 108.139 108.800 0.180 0.000 2.508 612 G HA2 0.042 3.998 3.960 -0.007 0.000 0.278 612 G HA3 0.042 3.998 3.960 -0.007 0.000 0.278 612 G C 0.213 175.239 174.900 0.211 0.000 1.389 612 G CA -0.299 44.968 45.100 0.278 0.000 1.050 612 G HN 0.704 nan 8.290 nan 0.000 0.522 613 D N -0.718 119.754 120.400 0.120 0.000 2.333 613 D HA 0.016 4.652 4.640 -0.007 0.000 0.208 613 D C 1.345 177.646 176.300 0.000 0.000 0.984 613 D CA 0.415 54.445 54.000 0.050 0.000 0.873 613 D CB 0.287 41.101 40.800 0.023 0.000 0.935 613 D HN 0.513 nan 8.370 nan 0.000 0.521 614 K N 0.665 121.023 120.400 -0.070 0.000 2.140 614 K HA 0.273 4.588 4.320 -0.007 0.000 0.237 614 K C 0.152 176.577 176.600 -0.292 0.000 1.045 614 K CA -0.562 55.593 56.287 -0.219 0.000 0.896 614 K CB 0.411 32.709 32.500 -0.337 0.000 1.122 614 K HN -0.224 nan 8.250 nan 0.000 0.503 615 S N 0.054 115.563 115.700 -0.317 0.000 2.457 615 S HA 0.297 4.763 4.470 -0.007 0.000 0.289 615 S C -0.955 173.387 174.600 -0.431 0.000 1.163 615 S CA -0.836 57.207 58.200 -0.261 0.000 1.078 615 S CB -0.079 63.004 63.200 -0.194 0.000 0.987 615 S HN 0.481 nan 8.310 nan 0.000 0.482 616 Y N 0.591 120.756 120.300 -0.225 0.000 2.568 616 Y HA 0.491 5.037 4.550 -0.007 0.000 0.327 616 Y C 0.814 176.472 175.900 -0.404 0.000 1.163 616 Y CA -0.953 57.008 58.100 -0.232 0.000 1.219 616 Y CB 1.156 39.553 38.460 -0.105 0.000 1.308 616 Y HN 0.646 nan 8.280 nan 0.000 0.503 617 H N 0.486 119.635 119.070 0.131 0.000 2.589 617 H HA 0.631 5.182 4.556 -0.007 0.000 0.335 617 H C -0.939 174.337 175.328 -0.088 0.000 1.019 617 H CA -0.895 55.152 56.048 -0.002 0.000 1.213 617 H CB 1.523 31.284 29.762 -0.002 0.000 1.472 617 H HN 0.771 nan 8.280 nan 0.000 0.508 618 A N 2.774 125.477 122.820 -0.195 0.000 2.312 618 A HA 0.588 4.904 4.320 -0.007 0.000 0.326 618 A C -0.105 177.221 177.584 -0.431 0.000 1.172 618 A CA -0.543 51.247 52.037 -0.412 0.000 0.821 618 A CB 0.680 19.190 19.000 -0.817 0.000 1.166 618 A HN 0.611 nan 8.150 nan 0.000 0.493 619 T N 2.616 117.066 114.554 -0.174 0.000 2.864 619 T HA 0.473 4.819 4.350 -0.007 0.000 0.299 619 T C -0.971 173.778 174.700 0.083 0.000 1.011 619 T CA -0.140 61.942 62.100 -0.030 0.000 0.975 619 T CB 0.647 69.600 68.868 0.141 0.000 0.962 619 T HN 0.590 nan 8.240 nan 0.000 0.448 620 L N 3.884 125.143 121.223 0.061 0.000 2.322 620 L HA 0.751 5.087 4.340 -0.007 0.000 0.281 620 L C -1.695 175.210 176.870 0.058 0.000 1.014 620 L CA -0.640 54.312 54.840 0.187 0.000 0.815 620 L CB 0.672 42.921 42.059 0.318 0.000 1.247 620 L HN 0.486 nan 8.230 nan 0.000 0.421 621 F N 5.027 125.024 119.950 0.079 0.000 2.361 621 F HA 0.521 5.044 4.527 -0.007 0.000 0.364 621 F C 0.149 176.032 175.800 0.138 0.000 1.117 621 F CA -0.405 57.629 58.000 0.057 0.000 1.071 621 F CB 1.097 39.983 39.000 -0.189 0.000 1.188 621 F HN 0.472 nan 8.300 nan 0.000 0.464 622 K N 1.441 122.011 120.400 0.283 0.000 2.350 622 K HA 0.529 4.845 4.320 -0.007 0.000 0.241 622 K C -1.174 175.573 176.600 0.244 0.000 0.994 622 K CA -1.108 55.326 56.287 0.246 0.000 0.839 622 K CB 1.601 34.194 32.500 0.155 0.000 1.244 622 K HN 0.192 nan 8.250 nan 0.000 0.443 623 D N 1.132 121.656 120.400 0.207 0.000 2.443 623 D HA 0.085 4.721 4.640 -0.007 0.000 0.239 623 D C 0.370 176.781 176.300 0.185 0.000 1.136 623 D CA 0.382 54.502 54.000 0.201 0.000 0.879 623 D CB 1.039 41.937 40.800 0.162 0.000 1.195 623 D HN 0.702 nan 8.370 nan 0.000 0.443 624 G N -0.136 108.766 108.800 0.170 0.000 2.606 624 G HA2 0.251 4.207 3.960 -0.007 0.000 0.252 624 G HA3 0.251 4.207 3.960 -0.007 0.000 0.252 624 G C 1.399 176.388 174.900 0.148 0.000 1.206 624 G CA -0.475 44.692 45.100 0.112 0.000 0.861 624 G HN 0.359 nan 8.290 nan 0.000 0.561 625 V N -1.171 118.812 119.914 0.114 0.000 3.026 625 V HA -0.085 4.031 4.120 -0.007 0.000 0.265 625 V C 1.208 177.439 176.094 0.228 0.000 1.121 625 V CA 1.875 64.261 62.300 0.143 0.000 1.142 625 V CB -0.734 31.136 31.823 0.077 0.000 0.730 625 V HN 0.561 nan 8.190 nan 0.000 0.503 626 N N 0.188 118.980 118.700 0.153 0.000 2.235 626 N HA 0.566 5.302 4.740 -0.007 0.000 0.231 626 N C 1.431 176.940 175.510 -0.003 0.000 1.177 626 N CA 0.576 53.650 53.050 0.040 0.000 0.874 626 N CB 0.664 39.132 38.487 -0.032 0.000 1.097 626 N HN 0.468 nan 8.380 nan 0.000 0.518 627 A N 0.384 123.304 122.820 0.167 0.000 2.125 627 A HA -0.203 4.113 4.320 -0.007 0.000 0.219 627 A C 1.554 179.251 177.584 0.188 0.000 1.156 627 A CA 1.223 53.361 52.037 0.168 0.000 0.671 627 A CB -0.866 18.256 19.000 0.202 0.000 0.794 627 A HN 0.669 nan 8.150 nan 0.000 0.459 628 H N -3.155 116.001 119.070 0.143 0.000 2.551 628 H HA 0.258 4.810 4.556 -0.007 0.000 0.266 628 H C 1.830 177.238 175.328 0.133 0.000 0.977 628 H CA 0.757 56.898 56.048 0.155 0.000 1.163 628 H CB 0.074 29.925 29.762 0.148 0.000 1.381 628 H HN 0.394 nan 8.280 nan 0.000 0.581 629 R N 0.152 120.487 120.500 -0.276 0.000 2.310 629 R HA 0.437 4.773 4.340 -0.007 0.000 0.199 629 R C -0.062 176.215 176.300 -0.038 0.000 0.891 629 R CA 0.571 56.571 56.100 -0.168 0.000 1.060 629 R CB 1.022 31.155 30.300 -0.279 0.000 1.188 629 R HN 0.244 nan 8.270 nan 0.000 0.607 630 A N 0.581 123.389 122.820 -0.020 0.000 2.545 630 A HA 0.481 4.797 4.320 -0.007 0.000 0.300 630 A C 0.765 178.401 177.584 0.085 0.000 1.252 630 A CA -0.437 51.624 52.037 0.041 0.000 0.753 630 A CB 1.089 20.105 19.000 0.026 0.000 1.144 630 A HN 0.249 nan 8.150 nan 0.000 0.457 631 G N 1.924 110.796 108.800 0.121 0.000 2.485 631 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.221 631 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.221 631 G C 1.503 176.494 174.900 0.151 0.000 1.115 631 G CA 1.171 46.360 45.100 0.148 0.000 0.751 631 G HN 0.861 nan 8.290 nan 0.000 0.567 632 R N 0.319 120.906 120.500 0.146 0.000 2.189 632 R HA -0.004 4.332 4.340 -0.007 0.000 0.223 632 R C 0.210 176.662 176.300 0.253 0.000 1.092 632 R CA 0.689 56.898 56.100 0.181 0.000 0.989 632 R CB -0.523 29.869 30.300 0.154 0.000 0.876 632 R HN 0.187 nan 8.270 nan 0.000 0.457 633 D N 1.301 121.809 120.400 0.179 0.000 2.451 633 D HA -0.047 4.589 4.640 -0.007 0.000 0.254 633 D C -0.702 175.729 176.300 0.217 0.000 1.204 633 D CA 0.410 54.495 54.000 0.141 0.000 0.896 633 D CB 0.152 41.002 40.800 0.083 0.000 1.136 633 D HN 0.325 nan 8.370 nan 0.000 0.499 634 Y N 0.531 120.891 120.300 0.100 0.000 2.689 634 Y HA 0.625 5.171 4.550 -0.007 0.000 0.333 634 Y C -1.327 174.622 175.900 0.082 0.000 1.190 634 Y CA -1.416 56.753 58.100 0.115 0.000 1.063 634 Y CB 1.317 39.879 38.460 0.169 0.000 1.294 634 Y HN 0.168 nan 8.280 nan 0.000 0.466 635 K N 1.496 121.941 120.400 0.074 0.000 2.513 635 K HA 0.612 4.928 4.320 -0.007 0.000 0.251 635 K C -2.157 174.463 176.600 0.033 0.000 0.939 635 K CA -0.611 55.627 56.287 -0.081 0.000 0.793 635 K CB 2.080 34.550 32.500 -0.050 0.000 1.241 635 K HN 1.031 nan 8.250 nan 0.000 0.431 636 C N 4.521 123.767 119.300 -0.090 0.000 2.329 636 C HA 0.649 5.105 4.460 -0.007 0.000 0.329 636 C C -1.173 173.724 174.990 -0.156 0.000 1.275 636 C CA -0.004 58.811 59.018 -0.337 0.000 1.726 636 C CB 0.069 27.454 27.740 -0.592 0.000 2.291 636 C HN 0.979 nan 8.230 nan 0.000 0.514 637 E N 4.161 124.307 120.200 -0.090 0.000 2.390 637 E HA 0.627 4.973 4.350 -0.007 0.000 0.277 637 E C -1.438 175.238 176.600 0.127 0.000 0.939 637 E CA -0.571 55.859 56.400 0.050 0.000 0.769 637 E CB 1.712 31.478 29.700 0.110 0.000 1.251 637 E HN 0.518 nan 8.360 nan 0.000 0.450 638 S N 0.972 116.761 115.700 0.148 0.000 2.607 638 S HA 0.896 5.362 4.470 -0.007 0.000 0.303 638 S C -1.075 173.699 174.600 0.290 0.000 1.086 638 S CA -0.646 57.601 58.200 0.078 0.000 0.995 638 S CB 0.613 63.821 63.200 0.015 0.000 1.084 638 S HN 0.549 nan 8.310 nan 0.000 0.507 639 F N -1.369 118.627 119.950 0.077 0.000 2.765 639 F HA 0.554 5.077 4.527 -0.007 0.000 0.313 639 F C -3.363 172.517 175.800 0.134 0.000 1.136 639 F CA -1.813 56.238 58.000 0.085 0.000 0.952 639 F CB 0.255 39.281 39.000 0.042 0.000 1.268 639 F HN 0.320 nan 8.300 nan 0.000 0.441 640 P HA 0.619 nan 4.420 nan 0.000 0.276 640 P C -1.080 176.325 177.300 0.175 0.000 1.244 640 P CA -0.141 63.055 63.100 0.159 0.000 0.801 640 P CB 2.792 34.569 31.700 0.128 0.000 1.006 641 I N -0.120 120.489 120.570 0.066 0.000 2.984 641 I HA 0.399 4.565 4.170 -0.007 0.000 0.303 641 I C -1.197 174.951 176.117 0.052 0.000 1.381 641 I CA -0.899 60.452 61.300 0.085 0.000 0.988 641 I CB 2.490 40.546 38.000 0.092 0.000 1.307 641 I HN 0.296 nan 8.210 nan 0.000 0.460 642 K N 3.241 123.649 120.400 0.013 0.000 2.372 642 K HA 0.375 4.690 4.320 -0.007 0.000 0.251 642 K C 0.009 176.551 176.600 -0.098 0.000 1.055 642 K CA -0.935 55.361 56.287 0.015 0.000 0.879 642 K CB 1.812 34.315 32.500 0.005 0.000 1.384 642 K HN 0.443 nan 8.250 nan 0.000 0.465 643 K N 1.193 121.535 120.400 -0.096 0.000 2.218 643 K HA -0.213 4.103 4.320 -0.007 0.000 0.205 643 K C 0.665 177.149 176.600 -0.193 0.000 1.046 643 K CA 2.563 58.730 56.287 -0.200 0.000 0.933 643 K CB -0.054 32.376 32.500 -0.116 0.000 0.728 643 K HN 0.608 nan 8.250 nan 0.000 0.454 644 D N -1.096 119.232 120.400 -0.120 0.000 2.349 644 D HA 0.029 4.665 4.640 -0.007 0.000 0.215 644 D C 0.769 177.010 176.300 -0.098 0.000 1.016 644 D CA -0.038 53.902 54.000 -0.098 0.000 0.870 644 D CB 0.005 40.768 40.800 -0.062 0.000 0.917 644 D HN 0.172 nan 8.370 nan 0.000 0.524 645 G N 0.490 109.225 108.800 -0.109 0.000 2.484 645 G HA2 0.242 4.197 3.960 -0.007 0.000 0.235 645 G HA3 0.242 4.197 3.960 -0.007 0.000 0.235 645 G C -0.010 174.835 174.900 -0.091 0.000 1.282 645 G CA -0.524 44.527 45.100 -0.082 0.000 0.857 645 G HN 0.004 nan 8.290 nan 0.000 0.571 646 K N 2.299 122.661 120.400 -0.063 0.000 2.592 646 K HA 0.186 4.502 4.320 -0.007 0.000 0.212 646 K C -0.869 175.697 176.600 -0.056 0.000 1.013 646 K CA -0.913 55.339 56.287 -0.058 0.000 1.034 646 K CB 1.756 34.224 32.500 -0.054 0.000 1.292 646 K HN 0.308 nan 8.250 nan 0.000 0.521 647 L N 2.863 124.061 121.223 -0.043 0.000 2.315 647 L HA 0.184 4.520 4.340 -0.007 0.000 0.283 647 L C -0.312 176.497 176.870 -0.102 0.000 1.089 647 L CA 0.380 55.188 54.840 -0.052 0.000 0.833 647 L CB 0.179 42.249 42.059 0.018 0.000 1.170 647 L HN 0.272 nan 8.230 nan 0.000 0.442 648 K N 4.737 125.063 120.400 -0.123 0.000 2.211 648 K HA 0.655 4.971 4.320 -0.007 0.000 0.275 648 K C -1.244 175.256 176.600 -0.167 0.000 1.024 648 K CA -0.682 55.526 56.287 -0.132 0.000 0.887 648 K CB 1.844 34.283 32.500 -0.101 0.000 1.084 648 K HN 0.417 nan 8.250 nan 0.000 0.463 649 V N 2.045 121.832 119.914 -0.213 0.000 2.760 649 V HA 0.160 4.276 4.120 -0.007 0.000 0.309 649 V C -0.983 175.041 176.094 -0.116 0.000 1.077 649 V CA -1.044 61.116 62.300 -0.233 0.000 0.910 649 V CB 1.673 33.154 31.823 -0.569 0.000 1.008 649 V HN 0.778 nan 8.190 nan 0.000 0.424 650 H N 3.910 122.914 119.070 -0.109 0.000 2.489 650 H HA 0.747 5.299 4.556 -0.007 0.000 0.322 650 H C -1.338 173.992 175.328 0.004 0.000 1.091 650 H CA -0.437 55.580 56.048 -0.052 0.000 1.291 650 H CB 1.356 31.098 29.762 -0.033 0.000 1.436 650 H HN 0.446 nan 8.280 nan 0.000 0.480 651 L N 4.765 125.634 121.223 -0.591 0.000 2.313 651 L HA 0.564 4.900 4.340 -0.007 0.000 0.283 651 L C 0.276 176.823 176.870 -0.540 0.000 1.013 651 L CA -0.346 54.280 54.840 -0.357 0.000 0.816 651 L CB 1.332 43.323 42.059 -0.113 0.000 1.236 651 L HN 0.870 nan 8.230 nan 0.000 0.419 652 A N 4.978 127.659 122.820 -0.232 0.000 2.296 652 A HA 0.689 5.005 4.320 -0.007 0.000 0.264 652 A C -2.332 175.278 177.584 0.043 0.000 1.097 652 A CA -1.239 50.783 52.037 -0.024 0.000 0.811 652 A CB -0.423 18.673 19.000 0.160 0.000 1.072 652 A HN 0.548 nan 8.150 nan 0.000 0.495 653 P HA 0.221 nan 4.420 nan 0.000 0.264 653 P C 0.802 178.204 177.300 0.171 0.000 1.193 653 P CA 1.981 65.234 63.100 0.254 0.000 0.763 653 P CB 0.453 32.407 31.700 0.423 0.000 0.810 654 G N 2.191 110.912 108.800 -0.132 0.000 2.203 654 G HA2 -0.172 3.784 3.960 -0.007 0.000 0.263 654 G HA3 -0.172 3.784 3.960 -0.007 0.000 0.263 654 G C 0.622 175.395 174.900 -0.211 0.000 1.012 654 G CA 0.151 44.935 45.100 -0.527 0.000 0.749 654 G HN 0.848 nan 8.290 nan 0.000 0.512 655 G N -1.606 107.141 108.800 -0.089 0.000 2.857 655 G HA2 1.025 4.981 3.960 -0.007 0.000 0.217 655 G HA3 1.025 4.981 3.960 -0.007 0.000 0.217 655 G C 0.396 175.276 174.900 -0.034 0.000 1.357 655 G CA 0.229 45.310 45.100 -0.031 0.000 1.033 655 G HN 1.673 nan 8.290 nan 0.000 0.571 656 G N -2.090 106.726 108.800 0.027 0.000 2.323 656 G HA2 0.587 4.543 3.960 -0.007 0.000 0.291 656 G HA3 0.587 4.543 3.960 -0.007 0.000 0.291 656 G C -1.568 173.447 174.900 0.192 0.000 1.278 656 G CA -0.024 45.114 45.100 0.064 0.000 0.860 656 G HN 1.563 nan 8.290 nan 0.000 0.504 657 F N -1.693 118.249 119.950 -0.012 0.000 2.668 657 F HA 0.936 5.459 4.527 -0.007 0.000 0.309 657 F C -0.433 175.374 175.800 0.012 0.000 1.117 657 F CA -1.264 56.750 58.000 0.023 0.000 0.951 657 F CB 1.625 40.658 39.000 0.055 0.000 1.323 657 F HN 1.333 nan 8.300 nan 0.000 0.451 658 A N 2.610 125.468 122.820 0.063 0.000 2.374 658 A HA 0.804 5.120 4.320 -0.007 0.000 0.305 658 A C -2.296 175.424 177.584 0.226 0.000 1.053 658 A CA -0.680 51.325 52.037 -0.053 0.000 0.726 658 A CB 1.530 20.253 19.000 -0.462 0.000 1.229 658 A HN 1.155 nan 8.150 nan 0.000 0.431 659 L N 1.649 123.088 121.223 0.359 0.000 2.386 659 L HA 0.688 5.024 4.340 -0.007 0.000 0.271 659 L C -0.485 176.615 176.870 0.384 0.000 0.993 659 L CA -0.296 54.783 54.840 0.399 0.000 0.819 659 L CB 1.845 44.157 42.059 0.421 0.000 1.294 659 L HN 0.676 nan 8.230 nan 0.000 0.414 660 K N 5.726 126.286 120.400 0.266 0.000 2.323 660 K HA 0.630 4.946 4.320 -0.007 0.000 0.259 660 K C -1.633 174.935 176.600 -0.053 0.000 0.947 660 K CA -0.529 55.731 56.287 -0.045 0.000 0.819 660 K CB 1.102 33.630 32.500 0.047 0.000 1.109 660 K HN 0.731 nan 8.250 nan 0.000 0.429 661 I N 4.659 125.176 120.570 -0.089 0.000 2.448 661 I HA 0.296 4.462 4.170 -0.007 0.000 0.281 661 I C -0.305 175.877 176.117 0.109 0.000 1.027 661 I CA -0.636 60.666 61.300 0.002 0.000 1.111 661 I CB 1.658 39.632 38.000 -0.042 0.000 1.236 661 I HN 0.541 nan 8.210 nan 0.000 0.452 662 K N 0.000 120.511 120.400 0.185 0.000 2.780 662 K HA 0.000 4.316 4.320 -0.007 0.000 0.191 662 K CA 0.000 56.438 56.287 0.251 0.000 0.838 662 K CB 0.000 32.575 32.500 0.125 0.000 1.064 662 K HN 0.000 nan 8.250 nan 0.000 0.543