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 2npi_1_A DATA FIRST_RESID 18 DATA SEQUENCE TGDNEWHKLV IPKGSDWQID LKAEGKLIVK VNSGIVEIFG TELAVDDEYT DATA SEQUENCE FQNWKFPIYA VEETELLWKC PDLTTNTITV KPNHTXKYIY NLHFXLEKIR DATA SEQUENCE XSNFEGPRVV IVGGSQTGKT SLSRTLCSYA LKFNAYQPLY INLDPQQPIF DATA SEQUENCE TVPGCISATP ISDILDAQLP TWGQSLTSGA TLLHNKQPXV KNFGLERINE DATA SEQUENCE NKDLYLECIS QLGQVVGQRL HLDPQVRRSG CIVDTPSISQ LDENLAELHH DATA SEQUENCE IIEKLNVNIX LVLCSETDPL WEKVKKTFGP ELGNNNIFFI PKLDGVSAVD DATA SEQUENCE DVYKRSLQRT SIREYFYGSL DTALSPYAIG VDYEDLTIWK PSNVFDNEVG DATA SEQUENCE RVELFPVTIT PSNLQHAIIA ITFAERRADQ ATVIKSPILG FALITEVNEK DATA SEQUENCE RRKLRVLLPV PGRLPSKAXI LTSYRYLE 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.729 174.700 0.048 0.000 1.109 18 T CA 0.000 62.121 62.100 0.036 0.000 1.349 18 T CB 0.000 68.889 68.868 0.035 0.000 0.612 19 G N 0.124 108.962 108.800 0.063 0.000 3.142 19 G HA2 0.550 4.510 3.960 0.000 0.000 0.178 19 G HA3 0.550 4.510 3.960 0.000 0.000 0.178 19 G C -0.789 174.166 174.900 0.091 0.000 1.941 19 G CA 1.172 46.328 45.100 0.092 0.000 0.902 19 G HN 0.918 nan 8.290 nan 0.000 0.517 20 D N -3.084 117.378 120.400 0.103 0.000 2.842 20 D HA 0.071 4.711 4.640 0.000 0.000 0.248 20 D C -1.200 175.125 176.300 0.042 0.000 1.140 20 D CA -0.629 53.423 54.000 0.087 0.000 0.728 20 D CB 0.200 41.097 40.800 0.161 0.000 1.595 20 D HN 0.022 nan 8.370 nan 0.000 0.450 21 N N 1.803 120.489 118.700 -0.023 0.000 2.380 21 N HA 0.144 4.884 4.740 0.000 0.000 0.255 21 N C -0.658 174.735 175.510 -0.196 0.000 1.158 21 N CA 0.069 53.062 53.050 -0.094 0.000 0.878 21 N CB 0.460 38.909 38.487 -0.063 0.000 1.138 21 N HN 0.614 nan 8.380 nan 0.000 0.509 22 E N -1.162 118.888 120.200 -0.249 0.000 2.355 22 E HA 0.321 4.671 4.350 0.000 0.000 0.261 22 E C -0.892 175.344 176.600 -0.606 0.000 0.943 22 E CA -0.935 55.247 56.400 -0.363 0.000 0.806 22 E CB 0.823 30.392 29.700 -0.217 0.000 1.286 22 E HN -0.100 nan 8.360 nan 0.000 0.424 23 W N 0.645 121.686 121.300 -0.432 0.000 2.184 23 W HA 0.267 4.928 4.660 0.001 0.000 0.338 23 W C 0.300 176.301 176.519 -0.864 0.000 1.257 23 W CA 0.141 57.191 57.345 -0.492 0.000 1.243 23 W CB 0.635 29.946 29.460 -0.249 0.000 1.122 23 W HN 0.319 nan 8.180 nan 0.000 0.585 24 H N 1.286 120.115 119.070 -0.401 0.000 2.679 24 H HA 0.277 4.833 4.556 0.000 0.000 0.360 24 H C -0.657 174.521 175.328 -0.250 0.000 1.105 24 H CA -1.180 54.579 56.048 -0.483 0.000 1.196 24 H CB 1.817 31.026 29.762 -0.922 0.000 1.636 24 H HN 0.191 nan 8.280 nan 0.000 0.531 25 K N 2.230 122.662 120.400 0.055 0.000 2.298 25 K HA 0.337 4.657 4.320 0.000 0.000 0.280 25 K C -0.479 176.225 176.600 0.173 0.000 1.032 25 K CA -0.291 56.057 56.287 0.102 0.000 0.958 25 K CB 1.074 33.605 32.500 0.052 0.000 0.978 25 K HN 0.321 nan 8.250 nan 0.000 0.472 26 L N 4.184 125.505 121.223 0.163 0.000 2.457 26 L HA 0.270 4.610 4.340 0.000 0.000 0.266 26 L C -1.239 175.603 176.870 -0.046 0.000 0.979 26 L CA -0.919 53.950 54.840 0.048 0.000 0.857 26 L CB 1.721 43.746 42.059 -0.056 0.000 1.213 26 L HN 0.329 nan 8.230 nan 0.000 0.418 27 V N 6.015 125.893 119.914 -0.059 0.000 2.389 27 V HA 0.244 4.364 4.120 0.000 0.000 0.264 27 V C 0.248 176.269 176.094 -0.122 0.000 1.049 27 V CA -0.073 62.184 62.300 -0.070 0.000 0.932 27 V CB 1.439 33.233 31.823 -0.047 0.000 1.011 27 V HN 0.550 nan 8.190 nan 0.000 0.475 28 I N 8.257 128.744 120.570 -0.138 0.000 2.330 28 I HA 0.459 4.629 4.170 0.000 0.000 0.286 28 I C -2.223 173.808 176.117 -0.143 0.000 1.025 28 I CA -2.373 58.822 61.300 -0.175 0.000 1.197 28 I CB 1.920 39.788 38.000 -0.221 0.000 1.358 28 I HN 0.459 nan 8.210 nan 0.000 0.467 29 P HA -0.085 nan 4.420 nan 0.000 0.266 29 P C -1.019 176.202 177.300 -0.133 0.000 1.186 29 P CA -0.019 63.018 63.100 -0.106 0.000 0.767 29 P CB 0.380 32.027 31.700 -0.088 0.000 0.820 30 K N 2.208 122.542 120.400 -0.110 0.000 2.472 30 K HA 0.187 4.508 4.320 0.000 0.000 0.280 30 K C 1.032 177.558 176.600 -0.123 0.000 1.028 30 K CA 0.946 57.156 56.287 -0.128 0.000 1.045 30 K CB -0.766 31.695 32.500 -0.066 0.000 0.902 30 K HN 0.778 nan 8.250 nan 0.000 0.478 31 G N 2.226 110.897 108.800 -0.216 0.000 2.141 31 G HA2 -0.217 3.744 3.960 0.000 0.000 0.242 31 G HA3 -0.217 3.744 3.960 0.000 0.000 0.242 31 G C -0.334 174.562 174.900 -0.007 0.000 0.982 31 G CA 0.201 45.275 45.100 -0.044 0.000 0.662 31 G HN 0.594 nan 8.290 nan 0.000 0.527 32 S N 0.063 115.666 115.700 -0.163 0.000 2.568 32 S HA 0.670 5.140 4.470 0.000 0.000 0.302 32 S C -0.736 173.844 174.600 -0.034 0.000 1.082 32 S CA -0.759 57.394 58.200 -0.080 0.000 1.009 32 S CB 1.929 65.061 63.200 -0.113 0.000 1.069 32 S HN 0.271 nan 8.310 nan 0.000 0.500 33 D N 0.633 121.045 120.400 0.019 0.000 2.181 33 D HA 0.169 4.809 4.640 0.000 0.000 0.248 33 D C 0.159 176.458 176.300 -0.002 0.000 1.020 33 D CA -0.552 53.465 54.000 0.028 0.000 0.891 33 D CB 1.078 41.879 40.800 0.002 0.000 1.187 33 D HN 0.542 nan 8.370 nan 0.000 0.443 34 W N 1.858 123.014 121.300 -0.240 0.000 2.413 34 W HA -0.046 4.614 4.660 0.000 0.000 0.315 34 W C -0.042 176.266 176.519 -0.352 0.000 1.186 34 W CA 1.093 58.252 57.345 -0.311 0.000 1.326 34 W CB -0.207 29.021 29.460 -0.387 0.000 1.153 34 W HN 0.500 nan 8.180 nan 0.000 0.489 35 Q N 0.053 119.742 119.800 -0.185 0.000 2.486 35 Q HA -0.217 4.124 4.340 0.000 0.000 0.277 35 Q C -1.113 174.585 176.000 -0.504 0.000 1.324 35 Q CA 0.692 56.294 55.803 -0.334 0.000 0.738 35 Q CB -1.731 26.901 28.738 -0.176 0.000 0.849 35 Q HN 0.278 nan 8.270 nan 0.000 0.311 36 I N 1.780 121.847 120.570 -0.838 0.000 2.545 36 I HA 0.368 4.538 4.170 0.000 0.000 0.292 36 I C -0.328 175.399 176.117 -0.650 0.000 1.040 36 I CA -0.606 60.120 61.300 -0.956 0.000 1.068 36 I CB 1.979 38.970 38.000 -1.681 0.000 1.251 36 I HN 0.364 nan 8.210 nan 0.000 0.424 37 D N 6.694 126.850 120.400 -0.406 0.000 2.404 37 D HA 0.415 5.056 4.640 0.000 0.000 0.267 37 D C -0.967 175.260 176.300 -0.121 0.000 1.194 37 D CA -0.226 53.640 54.000 -0.224 0.000 0.910 37 D CB 0.654 41.351 40.800 -0.171 0.000 1.090 37 D HN 0.294 nan 8.370 nan 0.000 0.511 38 L N 2.761 123.951 121.223 -0.054 0.000 2.349 38 L HA 0.427 4.767 4.340 0.000 0.000 0.275 38 L C 1.035 177.978 176.870 0.122 0.000 1.115 38 L CA -0.298 54.569 54.840 0.045 0.000 0.820 38 L CB 1.030 43.163 42.059 0.123 0.000 1.135 38 L HN 0.177 nan 8.230 nan 0.000 0.445 39 K N 1.565 122.025 120.400 0.100 0.000 2.270 39 K HA 0.661 4.981 4.320 0.000 0.000 0.248 39 K C -0.308 176.354 176.600 0.104 0.000 1.076 39 K CA -1.041 55.315 56.287 0.116 0.000 0.957 39 K CB 0.763 33.314 32.500 0.085 0.000 1.400 39 K HN 0.598 nan 8.250 nan 0.000 0.573 40 A N 2.027 124.899 122.820 0.086 0.000 2.600 40 A HA -0.105 4.215 4.320 0.000 0.000 0.244 40 A C 0.405 178.029 177.584 0.066 0.000 1.016 40 A CA 0.853 52.933 52.037 0.071 0.000 0.778 40 A CB -0.499 18.534 19.000 0.054 0.000 0.920 40 A HN 0.785 nan 8.150 nan 0.000 0.513 41 E N 0.047 120.287 120.200 0.067 0.000 4.586 41 E HA -0.250 4.100 4.350 0.000 0.000 0.271 41 E C 0.935 177.578 176.600 0.073 0.000 0.767 41 E CA 1.780 58.216 56.400 0.060 0.000 1.491 41 E CB -2.218 27.508 29.700 0.044 0.000 1.758 41 E HN 1.571 nan 8.360 nan 0.000 0.398 42 G N 2.316 111.164 108.800 0.081 0.000 2.150 42 G HA2 0.089 4.049 3.960 0.000 0.000 0.250 42 G HA3 0.089 4.049 3.960 0.000 0.000 0.250 42 G C -0.096 174.874 174.900 0.117 0.000 1.179 42 G CA 0.670 45.824 45.100 0.090 0.000 0.934 42 G HN 0.075 nan 8.290 nan 0.000 0.453 43 K N 3.129 123.596 120.400 0.112 0.000 2.394 43 K HA 0.451 4.771 4.320 0.000 0.000 0.260 43 K C -0.789 175.907 176.600 0.160 0.000 0.967 43 K CA -0.810 55.556 56.287 0.132 0.000 0.855 43 K CB 1.024 33.578 32.500 0.089 0.000 1.101 43 K HN 0.387 nan 8.250 nan 0.000 0.433 44 L N 7.333 128.700 121.223 0.239 0.000 2.298 44 L HA 0.473 4.813 4.340 0.000 0.000 0.284 44 L C -1.048 176.054 176.870 0.386 0.000 1.013 44 L CA -0.840 54.182 54.840 0.302 0.000 0.824 44 L CB 0.881 43.111 42.059 0.285 0.000 1.221 44 L HN 0.697 nan 8.230 nan 0.000 0.418 45 I N 5.351 126.104 120.570 0.304 0.000 2.359 45 I HA 0.395 4.565 4.170 0.000 0.000 0.294 45 I C -0.376 176.076 176.117 0.559 0.000 0.987 45 I CA -0.622 60.881 61.300 0.337 0.000 1.225 45 I CB 1.791 39.904 38.000 0.187 0.000 1.366 45 I HN 0.211 nan 8.210 nan 0.000 0.466 46 V N 6.088 126.396 119.914 0.658 0.000 2.604 46 V HA 0.486 4.606 4.120 0.000 0.000 0.305 46 V C -0.330 176.136 176.094 0.620 0.000 1.043 46 V CA -0.796 61.945 62.300 0.735 0.000 0.888 46 V CB 2.065 34.345 31.823 0.761 0.000 0.995 46 V HN 0.674 nan 8.190 nan 0.000 0.429 47 K N 3.318 124.027 120.400 0.515 0.000 2.541 47 K HA 0.683 5.003 4.320 0.000 0.000 0.250 47 K C -1.560 175.174 176.600 0.223 0.000 0.950 47 K CA -0.466 55.997 56.287 0.295 0.000 0.805 47 K CB 2.076 34.605 32.500 0.049 0.000 1.166 47 K HN 0.493 nan 8.250 nan 0.000 0.430 48 V N 4.544 124.585 119.914 0.212 0.000 2.509 48 V HA 0.213 4.334 4.120 0.000 0.000 0.284 48 V C 0.652 176.796 176.094 0.083 0.000 1.047 48 V CA -0.625 61.763 62.300 0.148 0.000 0.952 48 V CB 1.308 33.219 31.823 0.146 0.000 0.988 48 V HN 0.955 nan 8.190 nan 0.000 0.469 49 N N 1.393 120.123 118.700 0.049 0.000 2.159 49 N HA 0.077 4.817 4.740 0.000 0.000 0.217 49 N C 0.059 175.579 175.510 0.017 0.000 1.223 49 N CA 0.257 53.317 53.050 0.018 0.000 0.896 49 N CB 1.240 39.718 38.487 -0.015 0.000 1.064 49 N HN 0.707 nan 8.380 nan 0.000 0.518 50 S N -1.299 114.416 115.700 0.025 0.000 2.542 50 S HA 0.669 5.139 4.470 0.000 0.000 0.276 50 S C -0.137 174.474 174.600 0.019 0.000 1.148 50 S CA 0.022 58.233 58.200 0.018 0.000 0.886 50 S CB 1.829 65.033 63.200 0.006 0.000 1.109 50 S HN 0.789 nan 8.310 nan 0.000 0.458 51 G N 1.321 110.132 108.800 0.017 0.000 2.549 51 G HA2 0.143 4.103 3.960 0.000 0.000 0.404 51 G HA3 0.143 4.103 3.960 0.000 0.000 0.404 51 G C -1.488 173.425 174.900 0.022 0.000 1.292 51 G CA -0.428 44.679 45.100 0.010 0.000 0.935 51 G HN 1.344 nan 8.290 nan 0.000 0.512 52 I N 1.118 121.696 120.570 0.013 0.000 2.439 52 I HA 0.539 4.709 4.170 0.000 0.000 0.285 52 I C 0.380 176.507 176.117 0.016 0.000 1.021 52 I CA -0.808 60.511 61.300 0.031 0.000 1.091 52 I CB 0.823 38.854 38.000 0.051 0.000 1.242 52 I HN 0.974 nan 8.210 nan 0.000 0.439 53 V N 2.819 122.751 119.914 0.031 0.000 2.656 53 V HA 0.651 4.771 4.120 0.000 0.000 0.307 53 V C -0.372 175.750 176.094 0.047 0.000 1.051 53 V CA -0.706 61.609 62.300 0.026 0.000 0.893 53 V CB 2.360 34.198 31.823 0.025 0.000 0.999 53 V HN 0.683 nan 8.190 nan 0.000 0.426 54 E N 3.550 123.804 120.200 0.089 0.000 2.212 54 E HA 0.664 5.014 4.350 0.000 0.000 0.268 54 E C -1.278 175.310 176.600 -0.020 0.000 0.902 54 E CA -0.816 55.623 56.400 0.063 0.000 0.779 54 E CB 3.042 32.831 29.700 0.147 0.000 1.172 54 E HN 0.705 nan 8.360 nan 0.000 0.409 55 I N 3.338 123.859 120.570 -0.081 0.000 2.428 55 I HA 0.205 4.375 4.170 0.000 0.000 0.279 55 I C -0.587 175.429 176.117 -0.168 0.000 1.040 55 I CA -0.493 60.691 61.300 -0.194 0.000 1.171 55 I CB -0.029 37.937 38.000 -0.057 0.000 1.312 55 I HN 0.688 nan 8.210 nan 0.000 0.470 56 F N 4.943 124.824 119.950 -0.115 0.000 3.067 56 F HA -0.292 4.235 4.527 0.000 0.000 0.279 56 F C 1.527 177.101 175.800 -0.377 0.000 0.945 56 F CA 0.709 58.563 58.000 -0.243 0.000 0.948 56 F CB -1.671 37.164 39.000 -0.275 0.000 0.898 56 F HN 0.819 nan 8.300 nan 0.000 0.746 57 G N -1.635 107.020 108.800 -0.243 0.000 2.284 57 G HA2 -0.273 3.687 3.960 0.000 0.000 0.230 57 G HA3 -0.273 3.687 3.960 0.000 0.000 0.230 57 G C 0.189 174.947 174.900 -0.237 0.000 1.021 57 G CA -0.060 44.760 45.100 -0.467 0.000 0.619 57 G HN 0.511 nan 8.290 nan 0.000 0.510 58 T N 2.678 117.141 114.554 -0.152 0.000 2.752 58 T HA 0.441 4.791 4.350 0.000 0.000 0.295 58 T C 0.287 174.964 174.700 -0.039 0.000 0.923 58 T CA 0.036 62.088 62.100 -0.081 0.000 1.112 58 T CB 1.392 70.227 68.868 -0.056 0.000 0.884 58 T HN 0.389 nan 8.240 nan 0.000 0.525 59 E N 2.498 122.692 120.200 -0.011 0.000 2.392 59 E HA 0.144 4.494 4.350 0.000 0.000 0.264 59 E C -0.233 176.354 176.600 -0.022 0.000 1.024 59 E CA -0.184 56.222 56.400 0.009 0.000 0.903 59 E CB 0.592 30.313 29.700 0.034 0.000 0.963 59 E HN 0.493 nan 8.360 nan 0.000 0.432 60 L N 2.656 123.848 121.223 -0.052 0.000 2.276 60 L HA 0.310 4.650 4.340 0.000 0.000 0.286 60 L C 0.294 177.228 176.870 0.106 0.000 1.061 60 L CA -0.656 54.104 54.840 -0.133 0.000 0.807 60 L CB 1.264 43.186 42.059 -0.228 0.000 1.177 60 L HN 0.549 nan 8.230 nan 0.000 0.429 61 A N 3.948 126.950 122.820 0.303 0.000 2.477 61 A HA 0.393 4.713 4.320 0.000 0.000 0.246 61 A C 0.033 177.760 177.584 0.237 0.000 1.078 61 A CA -0.393 51.794 52.037 0.250 0.000 0.770 61 A CB 0.307 19.445 19.000 0.231 0.000 1.011 61 A HN 0.461 nan 8.150 nan 0.000 0.494 62 V N 3.298 123.294 119.914 0.137 0.000 2.555 62 V HA 0.220 4.340 4.120 0.000 0.000 0.286 62 V C 0.455 176.599 176.094 0.082 0.000 1.044 62 V CA 0.582 62.946 62.300 0.105 0.000 1.026 62 V CB 0.528 32.391 31.823 0.066 0.000 0.981 62 V HN 1.052 nan 8.190 nan 0.000 0.480 63 D N 1.508 121.952 120.400 0.073 0.000 3.059 63 D HA -0.122 4.518 4.640 0.000 0.000 0.208 63 D C -0.065 176.242 176.300 0.012 0.000 1.079 63 D CA 1.538 55.552 54.000 0.024 0.000 0.986 63 D CB -0.707 40.095 40.800 0.003 0.000 1.090 63 D HN 0.981 nan 8.370 nan 0.000 0.428 64 D N -0.501 119.923 120.400 0.040 0.000 2.490 64 D HA 0.508 5.148 4.640 0.000 0.000 0.232 64 D C -0.207 176.080 176.300 -0.022 0.000 1.053 64 D CA -0.676 53.308 54.000 -0.027 0.000 0.914 64 D CB 0.743 41.486 40.800 -0.095 0.000 1.431 64 D HN -0.100 nan 8.370 nan 0.000 0.483 65 E N -0.012 120.151 120.200 -0.061 0.000 2.259 65 E HA 0.240 4.590 4.350 0.000 0.000 0.281 65 E C -0.869 175.637 176.600 -0.156 0.000 1.037 65 E CA -0.329 56.094 56.400 0.037 0.000 0.854 65 E CB 0.701 30.468 29.700 0.111 0.000 1.051 65 E HN 0.361 nan 8.360 nan 0.000 0.409 66 Y N 0.990 121.339 120.300 0.081 0.000 2.387 66 Y HA 0.319 4.869 4.550 0.000 0.000 0.336 66 Y C 0.238 175.975 175.900 -0.272 0.000 1.067 66 Y CA -0.541 57.486 58.100 -0.122 0.000 1.114 66 Y CB 2.101 40.531 38.460 -0.050 0.000 1.208 66 Y HN 0.303 nan 8.280 nan 0.000 0.458 67 T N 3.852 118.147 114.554 -0.431 0.000 2.881 67 T HA 0.596 4.947 4.350 0.000 0.000 0.290 67 T C -1.271 173.105 174.700 -0.541 0.000 1.000 67 T CA -0.777 61.135 62.100 -0.313 0.000 0.978 67 T CB 0.532 69.343 68.868 -0.096 0.000 0.997 67 T HN 0.247 nan 8.240 nan 0.000 0.443 68 F N 1.416 121.468 119.950 0.170 0.000 2.540 68 F HA 0.600 5.127 4.527 -0.000 0.000 0.317 68 F C 0.399 176.327 175.800 0.214 0.000 1.104 68 F CA -0.916 57.201 58.000 0.195 0.000 0.913 68 F CB 2.045 41.145 39.000 0.166 0.000 1.170 68 F HN 0.273 nan 8.300 nan 0.000 0.450 69 Q N 1.201 121.257 119.800 0.428 0.000 2.305 69 Q HA 0.289 4.629 4.340 0.000 0.000 0.271 69 Q C -0.846 175.383 176.000 0.382 0.000 1.046 69 Q CA -1.006 54.982 55.803 0.308 0.000 0.798 69 Q CB 2.081 30.914 28.738 0.159 0.000 1.286 69 Q HN 0.764 nan 8.270 nan 0.000 0.435 70 N N 1.976 120.869 118.700 0.322 0.000 2.714 70 N HA -0.171 4.570 4.740 0.000 0.000 0.252 70 N C -1.608 174.164 175.510 0.437 0.000 1.014 70 N CA 1.416 54.638 53.050 0.287 0.000 0.735 70 N CB -0.378 38.199 38.487 0.150 0.000 0.924 70 N HN 0.576 nan 8.380 nan 0.000 0.540 71 W N -0.612 120.838 121.300 0.250 0.000 3.213 71 W HA 0.529 5.189 4.660 -0.000 0.000 0.318 71 W C -1.094 175.700 176.519 0.458 0.000 1.248 71 W CA -1.271 56.313 57.345 0.397 0.000 1.187 71 W CB 0.322 29.940 29.460 0.263 0.000 1.403 71 W HN -0.073 nan 8.180 nan 0.000 0.556 72 K N 2.932 123.541 120.400 0.349 0.000 2.234 72 K HA 0.579 4.900 4.320 0.000 0.000 0.282 72 K C -1.179 175.318 176.600 -0.172 0.000 1.039 72 K CA -0.055 56.188 56.287 -0.074 0.000 0.928 72 K CB 0.604 32.996 32.500 -0.181 0.000 1.039 72 K HN 0.417 nan 8.250 nan 0.000 0.470 73 F N 2.285 121.818 119.950 -0.694 0.000 2.672 73 F HA 0.512 5.039 4.527 0.000 0.000 0.311 73 F C -3.029 172.344 175.800 -0.712 0.000 1.113 73 F CA -2.332 55.185 58.000 -0.806 0.000 0.996 73 F CB 1.408 39.446 39.000 -1.604 0.000 1.286 73 F HN 0.360 nan 8.300 nan 0.000 0.441 74 P HA 0.437 nan 4.420 nan 0.000 0.290 74 P C -0.794 176.228 177.300 -0.463 0.000 1.276 74 P CA -0.186 62.586 63.100 -0.547 0.000 0.808 74 P CB 2.233 33.700 31.700 -0.389 0.000 0.966 75 I N 3.802 124.185 120.570 -0.311 0.000 2.312 75 I HA 0.234 4.404 4.170 0.000 0.000 0.290 75 I C -0.023 176.100 176.117 0.010 0.000 1.008 75 I CA -0.935 60.303 61.300 -0.105 0.000 1.226 75 I CB 0.581 38.591 38.000 0.016 0.000 1.371 75 I HN 0.350 nan 8.210 nan 0.000 0.468 76 Y N 6.440 126.671 120.300 -0.115 0.000 2.323 76 Y HA 0.625 5.175 4.550 0.000 0.000 0.331 76 Y C -0.018 175.870 175.900 -0.019 0.000 1.092 76 Y CA -0.989 57.066 58.100 -0.074 0.000 1.150 76 Y CB 1.499 39.909 38.460 -0.084 0.000 1.200 76 Y HN 0.581 nan 8.280 nan 0.000 0.472 77 A N 6.113 128.463 122.820 -0.784 0.000 2.341 77 A HA 0.474 4.794 4.320 0.000 0.000 0.326 77 A C 0.284 177.402 177.584 -0.776 0.000 1.402 77 A CA -0.496 51.195 52.037 -0.577 0.000 0.957 77 A CB -0.156 18.634 19.000 -0.350 0.000 1.151 77 A HN 0.813 nan 8.150 nan 0.000 0.533 78 V N 1.831 121.528 119.914 -0.361 0.000 2.379 78 V HA -0.068 4.053 4.120 0.000 0.000 0.245 78 V C 1.317 177.385 176.094 -0.044 0.000 1.044 78 V CA 2.205 64.474 62.300 -0.052 0.000 1.036 78 V CB -0.591 31.342 31.823 0.183 0.000 0.664 78 V HN 0.881 nan 8.190 nan 0.000 0.453 79 E N -1.258 118.907 120.200 -0.058 0.000 2.493 79 E HA 0.270 4.620 4.350 0.000 0.000 0.243 79 E C 1.234 177.796 176.600 -0.064 0.000 0.875 79 E CA -0.395 55.982 56.400 -0.038 0.000 0.872 79 E CB 0.889 30.587 29.700 -0.004 0.000 1.476 79 E HN 0.209 nan 8.360 nan 0.000 0.394 80 E N -0.164 120.011 120.200 -0.042 0.000 2.035 80 E HA -0.128 4.223 4.350 0.000 0.000 0.204 80 E C -0.525 176.043 176.600 -0.053 0.000 1.025 80 E CA 1.685 58.059 56.400 -0.045 0.000 0.835 80 E CB -0.467 29.217 29.700 -0.027 0.000 0.764 80 E HN 0.570 nan 8.360 nan 0.000 0.457 81 T N 1.672 116.204 114.554 -0.036 0.000 0.709 81 T HA -0.164 4.186 4.350 0.000 0.000 0.756 81 T C -0.578 174.105 174.700 -0.029 0.000 0.989 81 T CA 0.957 63.039 62.100 -0.030 0.000 3.990 81 T CB -0.837 68.003 68.868 -0.048 0.000 2.255 81 T HN 0.529 nan 8.240 nan 0.000 0.391 82 E N 2.674 122.870 120.200 -0.006 0.000 2.256 82 E HA 0.769 5.119 4.350 0.000 0.000 0.267 82 E C -0.431 176.194 176.600 0.042 0.000 0.892 82 E CA -1.423 54.980 56.400 0.005 0.000 0.775 82 E CB 1.697 31.399 29.700 0.003 0.000 1.207 82 E HN 0.646 nan 8.360 nan 0.000 0.420 83 L N -0.101 121.169 121.223 0.078 0.000 2.409 83 L HA 0.638 4.978 4.340 0.000 0.000 0.255 83 L C -1.667 175.334 176.870 0.219 0.000 1.027 83 L CA -1.143 53.790 54.840 0.156 0.000 0.834 83 L CB 1.410 43.603 42.059 0.223 0.000 1.426 83 L HN 0.644 nan 8.230 nan 0.000 0.411 84 L N 2.490 123.865 121.223 0.253 0.000 2.307 84 L HA 0.639 4.979 4.340 0.000 0.000 0.284 84 L C -0.990 176.301 176.870 0.701 0.000 1.023 84 L CA -0.286 54.747 54.840 0.323 0.000 0.810 84 L CB 1.569 43.644 42.059 0.027 0.000 1.231 84 L HN 0.804 nan 8.230 nan 0.000 0.423 85 W N 3.332 125.020 121.300 0.647 0.000 2.950 85 W HA 0.692 5.352 4.660 -0.000 0.000 0.340 85 W C -1.623 175.107 176.519 0.351 0.000 1.139 85 W CA -1.118 56.590 57.345 0.606 0.000 1.188 85 W CB 1.493 31.327 29.460 0.622 0.000 1.426 85 W HN 0.515 nan 8.180 nan 0.000 0.531 86 K N 2.065 122.589 120.400 0.207 0.000 2.482 86 K HA 0.705 5.025 4.320 0.000 0.000 0.251 86 K C -1.853 174.858 176.600 0.185 0.000 0.936 86 K CA -0.461 55.737 56.287 -0.147 0.000 0.791 86 K CB 1.799 33.741 32.500 -0.930 0.000 1.213 86 K HN 0.677 nan 8.250 nan 0.000 0.428 87 C N 4.313 123.793 119.300 0.301 0.000 3.050 87 C HA 0.363 4.823 4.460 0.000 0.000 0.416 87 C C -2.249 172.881 174.990 0.233 0.000 0.994 87 C CA -1.048 58.137 59.018 0.279 0.000 1.222 87 C CB 1.611 29.558 27.740 0.345 0.000 1.612 87 C HN 0.843 nan 8.230 nan 0.000 0.550 88 P HA 0.049 nan 4.420 nan 0.000 0.230 88 P C 0.274 177.635 177.300 0.101 0.000 1.158 88 P CA 1.366 64.524 63.100 0.096 0.000 0.769 88 P CB 0.179 31.912 31.700 0.056 0.000 0.807 89 D N -1.832 118.633 120.400 0.108 0.000 2.349 89 D HA 0.158 4.798 4.640 0.000 0.000 0.214 89 D C 0.078 176.422 176.300 0.073 0.000 1.063 89 D CA 0.350 54.396 54.000 0.076 0.000 0.847 89 D CB 0.093 40.927 40.800 0.057 0.000 0.933 89 D HN 0.086 nan 8.370 nan 0.000 0.513 90 L N -0.205 121.099 121.223 0.136 0.000 2.371 90 L HA 0.576 4.916 4.340 0.000 0.000 0.262 90 L C -0.268 176.754 176.870 0.253 0.000 1.006 90 L CA -0.377 54.532 54.840 0.116 0.000 0.818 90 L CB 2.523 44.567 42.059 -0.026 0.000 1.354 90 L HN -0.226 nan 8.230 nan 0.000 0.415 91 T N -1.554 113.101 114.554 0.168 0.000 2.864 91 T HA 0.252 4.602 4.350 0.000 0.000 0.299 91 T C 0.784 175.562 174.700 0.130 0.000 1.166 91 T CA -0.502 61.702 62.100 0.173 0.000 1.007 91 T CB 1.661 70.571 68.868 0.071 0.000 1.219 91 T HN 0.575 nan 8.240 nan 0.000 0.506 92 T N 1.839 116.455 114.554 0.103 0.000 2.778 92 T HA -0.168 4.183 4.350 0.000 0.000 0.269 92 T C 1.960 176.672 174.700 0.019 0.000 1.050 92 T CA 1.344 63.491 62.100 0.078 0.000 1.137 92 T CB -0.320 68.576 68.868 0.046 0.000 0.860 92 T HN 0.500 nan 8.240 nan 0.000 0.468 93 N N 1.436 120.145 118.700 0.014 0.000 2.007 93 N HA -0.079 4.662 4.740 0.000 0.000 0.197 93 N C 0.728 176.231 175.510 -0.013 0.000 1.050 93 N CA 1.238 54.288 53.050 0.001 0.000 0.856 93 N CB -0.633 37.857 38.487 0.006 0.000 1.050 93 N HN 0.334 nan 8.380 nan 0.000 0.423 94 T N 1.099 115.644 114.554 -0.014 0.000 2.910 94 T HA 0.352 4.702 4.350 0.000 0.000 0.323 94 T C 0.918 175.592 174.700 -0.044 0.000 1.091 94 T CA -0.286 61.797 62.100 -0.029 0.000 0.960 94 T CB 1.076 69.928 68.868 -0.026 0.000 1.024 94 T HN 0.069 nan 8.240 nan 0.000 0.509 95 I N 2.076 122.612 120.570 -0.058 0.000 4.197 95 I HA 0.170 4.340 4.170 0.000 0.000 0.307 95 I C -0.062 176.032 176.117 -0.038 0.000 1.236 95 I CA 0.575 61.829 61.300 -0.077 0.000 1.321 95 I CB 0.479 38.382 38.000 -0.161 0.000 1.309 95 I HN 0.684 nan 8.210 nan 0.000 0.450 96 T N 1.178 115.693 114.554 -0.065 0.000 0.915 96 T HA -0.076 4.274 4.350 0.000 0.000 0.734 96 T C -0.538 174.117 174.700 -0.075 0.000 0.985 96 T CA 0.590 62.658 62.100 -0.053 0.000 3.878 96 T CB -1.374 67.471 68.868 -0.039 0.000 2.195 96 T HN 0.098 nan 8.240 nan 0.000 0.387 97 V N 4.750 124.598 119.914 -0.109 0.000 2.439 97 V HA 0.401 4.521 4.120 0.000 0.000 0.277 97 V C 0.139 176.179 176.094 -0.090 0.000 1.008 97 V CA -0.691 61.529 62.300 -0.134 0.000 0.846 97 V CB 1.646 33.346 31.823 -0.203 0.000 1.031 97 V HN 0.680 nan 8.190 nan 0.000 0.441 98 K N 5.160 125.519 120.400 -0.069 0.000 2.270 98 K HA 0.534 4.854 4.320 0.000 0.000 0.255 98 K C -2.816 173.744 176.600 -0.068 0.000 0.936 98 K CA -1.919 54.335 56.287 -0.054 0.000 0.809 98 K CB 2.955 35.432 32.500 -0.038 0.000 1.131 98 K HN 0.269 nan 8.250 nan 0.000 0.427 99 P HA -0.030 nan 4.420 nan 0.000 0.271 99 P C -0.756 176.349 177.300 -0.326 0.000 1.233 99 P CA -0.115 62.874 63.100 -0.186 0.000 0.764 99 P CB 0.395 31.980 31.700 -0.192 0.000 0.825 100 N N 2.921 121.500 118.700 -0.201 0.000 2.472 100 N HA 0.038 4.778 4.740 0.000 0.000 0.277 100 N C 0.645 175.997 175.510 -0.264 0.000 1.081 100 N CA -0.090 52.864 53.050 -0.160 0.000 0.973 100 N CB 0.476 38.958 38.487 -0.009 0.000 1.105 100 N HN 0.420 nan 8.380 nan 0.000 0.470 101 H N 0.654 119.764 119.070 0.068 0.000 2.615 101 H HA 0.047 4.603 4.556 0.000 0.000 0.275 101 H C 0.605 176.020 175.328 0.146 0.000 0.981 101 H CA 0.386 56.493 56.048 0.098 0.000 1.252 101 H CB 0.354 30.169 29.762 0.088 0.000 1.447 101 H HN 0.586 nan 8.280 nan 0.000 0.498 105 Y N 2.204 122.496 120.300 -0.014 0.000 2.165 105 Y HA -0.052 4.498 4.550 0.000 0.000 0.286 105 Y C 2.367 178.246 175.900 -0.035 0.000 1.155 105 Y CA 1.796 59.876 58.100 -0.034 0.000 1.164 105 Y CB -0.464 37.958 38.460 -0.062 0.000 0.978 105 Y HN -0.033 nan 8.280 nan 0.000 0.513 106 I N -1.775 118.841 120.570 0.076 0.000 2.394 106 I HA -0.298 3.872 4.170 0.000 0.000 0.251 106 I C 1.760 177.931 176.117 0.090 0.000 1.136 106 I CA 1.171 62.484 61.300 0.022 0.000 1.425 106 I CB -0.545 37.409 38.000 -0.076 0.000 1.079 106 I HN 0.243 nan 8.210 nan 0.000 0.425 107 Y N 1.866 122.234 120.300 0.113 0.000 2.060 107 Y HA -0.255 4.295 4.550 0.000 0.000 0.276 107 Y C 2.358 178.376 175.900 0.196 0.000 1.127 107 Y CA 1.214 59.391 58.100 0.128 0.000 1.104 107 Y CB -0.448 38.117 38.460 0.174 0.000 0.983 107 Y HN 0.313 nan 8.280 nan 0.000 0.483 108 N N 1.004 119.909 118.700 0.341 0.000 2.551 108 N HA -0.087 4.653 4.740 0.000 0.000 0.199 108 N C 0.866 176.426 175.510 0.083 0.000 1.277 108 N CA 0.509 53.692 53.050 0.222 0.000 0.870 108 N CB -0.073 38.463 38.487 0.082 0.000 1.028 108 N HN 0.365 nan 8.380 nan 0.000 0.452 109 L N -0.796 120.470 121.223 0.071 0.000 2.425 109 L HA 0.230 4.570 4.340 0.000 0.000 0.215 109 L C 2.133 178.987 176.870 -0.027 0.000 1.065 109 L CA 1.034 55.856 54.840 -0.030 0.000 0.842 109 L CB -0.653 41.395 42.059 -0.018 0.000 1.033 109 L HN 0.242 nan 8.230 nan 0.000 0.474 110 H N -0.463 118.557 119.070 -0.083 0.000 2.333 110 H HA 0.033 4.590 4.556 0.000 0.000 0.302 110 H C 0.521 175.700 175.328 -0.247 0.000 1.075 110 H CA 1.182 57.122 56.048 -0.180 0.000 1.348 110 H CB -0.342 29.264 29.762 -0.261 0.000 1.393 110 H HN 0.200 nan 8.280 nan 0.000 0.509 114 E N 0.229 120.241 120.200 -0.313 0.000 2.268 114 E HA -0.232 4.119 4.350 0.000 0.000 0.195 114 E C 1.677 178.216 176.600 -0.101 0.000 0.995 114 E CA 1.188 57.436 56.400 -0.253 0.000 0.836 114 E CB 0.395 29.912 29.700 -0.305 0.000 0.763 114 E HN 0.182 nan 8.360 nan 0.000 0.491 115 K N 0.301 120.654 120.400 -0.078 0.000 2.116 115 K HA -0.020 4.300 4.320 0.000 0.000 0.203 115 K C 1.805 178.386 176.600 -0.032 0.000 1.052 115 K CA 0.649 56.919 56.287 -0.029 0.000 0.952 115 K CB 0.045 32.533 32.500 -0.020 0.000 0.729 115 K HN 0.118 nan 8.250 nan 0.000 0.446 116 I N 1.173 121.708 120.570 -0.058 0.000 2.286 116 I HA -0.176 3.994 4.170 0.000 0.000 0.248 116 I C 1.022 177.105 176.117 -0.057 0.000 1.115 116 I CA 0.974 62.244 61.300 -0.050 0.000 1.392 116 I CB -0.775 37.194 38.000 -0.051 0.000 1.065 116 I HN 0.171 nan 8.210 nan 0.000 0.418 120 N N 0.682 119.390 118.700 0.014 0.000 2.445 120 N HA 0.403 5.144 4.740 0.000 0.000 0.264 120 N C 0.183 175.779 175.510 0.142 0.000 1.227 120 N CA -0.219 52.808 53.050 -0.040 0.000 0.963 120 N CB 0.444 38.890 38.487 -0.069 0.000 1.188 120 N HN 0.120 nan 8.380 nan 0.000 0.491 121 F N -0.060 119.902 119.950 0.020 0.000 2.186 121 F HA -0.081 4.446 4.527 0.000 0.000 0.299 121 F C 1.291 177.103 175.800 0.021 0.000 1.090 121 F CA 0.401 58.414 58.000 0.021 0.000 1.307 121 F CB 0.191 39.203 39.000 0.020 0.000 1.019 121 F HN 0.488 nan 8.300 nan 0.000 0.489 122 E N 0.808 121.124 120.200 0.192 0.000 2.367 122 E HA 0.380 4.730 4.350 0.000 0.000 0.273 122 E C -0.440 176.191 176.600 0.051 0.000 0.903 122 E CA -0.689 55.777 56.400 0.109 0.000 0.764 122 E CB 1.274 31.034 29.700 0.099 0.000 1.252 122 E HN 0.025 nan 8.360 nan 0.000 0.446 123 G N 1.652 110.467 108.800 0.026 0.000 2.699 123 G HA2 0.329 4.289 3.960 0.000 0.000 0.246 123 G HA3 0.329 4.289 3.960 0.000 0.000 0.246 123 G C -2.162 172.731 174.900 -0.011 0.000 1.219 123 G CA -0.750 44.337 45.100 -0.021 0.000 0.866 123 G HN 0.468 nan 8.290 nan 0.000 0.572 124 P HA 0.266 nan 4.420 nan 0.000 0.274 124 P C -0.831 176.474 177.300 0.009 0.000 1.231 124 P CA -0.263 62.834 63.100 -0.005 0.000 0.790 124 P CB 1.089 32.780 31.700 -0.016 0.000 0.951 125 R N 1.332 121.843 120.500 0.019 0.000 2.358 125 R HA 0.444 4.784 4.340 0.000 0.000 0.309 125 R C -0.821 175.494 176.300 0.025 0.000 1.026 125 R CA -0.767 55.345 56.100 0.020 0.000 0.909 125 R CB 1.289 31.597 30.300 0.012 0.000 1.153 125 R HN 0.262 nan 8.270 nan 0.000 0.515 126 V N 3.383 123.317 119.914 0.034 0.000 2.427 126 V HA 0.367 4.487 4.120 0.000 0.000 0.286 126 V C 0.463 176.577 176.094 0.032 0.000 1.034 126 V CA -1.002 61.324 62.300 0.043 0.000 0.893 126 V CB 1.631 33.486 31.823 0.053 0.000 0.982 126 V HN 0.430 nan 8.190 nan 0.000 0.452 127 V N 2.927 122.850 119.914 0.015 0.000 2.427 127 V HA 0.628 4.748 4.120 0.000 0.000 0.286 127 V C -0.303 175.804 176.094 0.023 0.000 1.034 127 V CA -0.582 61.715 62.300 -0.004 0.000 0.893 127 V CB 1.202 32.985 31.823 -0.066 0.000 0.982 127 V HN 0.678 nan 8.190 nan 0.000 0.452 128 I N 4.933 125.527 120.570 0.040 0.000 2.306 128 I HA 0.460 4.630 4.170 0.000 0.000 0.288 128 I C -0.379 175.762 176.117 0.040 0.000 1.036 128 I CA -0.324 61.010 61.300 0.057 0.000 1.221 128 I CB 1.517 39.566 38.000 0.081 0.000 1.385 128 I HN 0.442 nan 8.210 nan 0.000 0.472 129 V N 5.475 125.411 119.914 0.037 0.000 2.555 129 V HA 0.949 5.070 4.120 0.000 0.000 0.302 129 V C 0.387 176.515 176.094 0.056 0.000 1.038 129 V CA -0.322 61.994 62.300 0.026 0.000 0.887 129 V CB 1.630 33.441 31.823 -0.020 0.000 0.991 129 V HN 0.921 nan 8.190 nan 0.000 0.434 130 G N 2.127 110.958 108.800 0.051 0.000 2.495 130 G HA2 0.593 4.553 3.960 0.000 0.000 0.294 130 G HA3 0.593 4.553 3.960 0.000 0.000 0.294 130 G C -0.272 174.657 174.900 0.048 0.000 1.397 130 G CA -0.053 45.082 45.100 0.059 0.000 0.790 130 G HN 0.992 nan 8.290 nan 0.000 0.486 131 G N -0.614 108.214 108.800 0.046 0.000 2.683 131 G HA2 0.423 4.383 3.960 0.000 0.000 0.260 131 G HA3 0.423 4.383 3.960 0.000 0.000 0.260 131 G C 0.492 175.409 174.900 0.029 0.000 1.238 131 G CA 0.584 45.706 45.100 0.037 0.000 0.934 131 G HN 1.025 nan 8.290 nan 0.000 0.534 132 S N -0.533 115.182 115.700 0.024 0.000 2.533 132 S HA 0.210 4.681 4.470 0.000 0.000 0.282 132 S C 0.304 174.915 174.600 0.019 0.000 1.304 132 S CA 0.179 58.392 58.200 0.021 0.000 1.063 132 S CB 0.141 63.352 63.200 0.018 0.000 0.881 132 S HN 0.530 nan 8.310 nan 0.000 0.493 133 Q N 1.999 121.812 119.800 0.021 0.000 2.448 133 Q HA -0.151 4.189 4.340 0.000 0.000 0.356 133 Q C 0.591 176.598 176.000 0.012 0.000 1.430 133 Q CA 1.182 56.995 55.803 0.017 0.000 1.011 133 Q CB -1.550 27.192 28.738 0.007 0.000 1.203 133 Q HN 0.666 nan 8.270 nan 0.000 0.351 134 T N -2.529 112.035 114.554 0.016 0.000 2.971 134 T HA 0.456 4.806 4.350 0.000 0.000 0.252 134 T C 1.153 175.857 174.700 0.007 0.000 1.022 134 T CA 1.088 63.195 62.100 0.011 0.000 0.980 134 T CB 0.303 69.182 68.868 0.018 0.000 1.044 134 T HN 1.030 nan 8.240 nan 0.000 0.501 135 G N 1.300 110.108 108.800 0.014 0.000 2.227 135 G HA2 -0.151 3.809 3.960 0.000 0.000 0.168 135 G HA3 -0.151 3.809 3.960 0.000 0.000 0.168 135 G C 0.798 175.706 174.900 0.013 0.000 1.006 135 G CA 0.374 45.481 45.100 0.011 0.000 0.684 135 G HN 0.454 nan 8.290 nan 0.000 0.489 136 K N 0.194 120.612 120.400 0.030 0.000 2.001 136 K HA -0.166 4.154 4.320 0.000 0.000 0.223 136 K C 2.587 179.226 176.600 0.065 0.000 1.055 136 K CA 2.491 58.809 56.287 0.051 0.000 0.965 136 K CB -0.521 32.015 32.500 0.060 0.000 0.730 136 K HN 0.322 nan 8.250 nan 0.000 0.449 137 T N 0.728 115.323 114.554 0.067 0.000 2.720 137 T HA -0.128 4.222 4.350 0.000 0.000 0.268 137 T C 2.138 176.819 174.700 -0.032 0.000 1.037 137 T CA 1.704 63.869 62.100 0.109 0.000 1.144 137 T CB -0.279 68.658 68.868 0.114 0.000 0.864 137 T HN 0.173 nan 8.240 nan 0.000 0.444 138 S N 1.364 116.962 115.700 -0.169 0.000 2.368 138 S HA 0.023 4.493 4.470 0.000 0.000 0.225 138 S C 1.934 176.425 174.600 -0.180 0.000 1.030 138 S CA 0.592 58.566 58.200 -0.376 0.000 0.999 138 S CB -0.476 62.617 63.200 -0.178 0.000 0.844 138 S HN 0.310 nan 8.310 nan 0.000 0.459 139 L N 1.550 122.735 121.223 -0.064 0.000 2.093 139 L HA -0.063 4.277 4.340 0.000 0.000 0.208 139 L C 2.060 178.916 176.870 -0.023 0.000 1.085 139 L CA 1.466 56.288 54.840 -0.029 0.000 0.755 139 L CB -1.097 40.966 42.059 0.007 0.000 0.904 139 L HN 0.262 nan 8.230 nan 0.000 0.435 140 S N -0.083 115.635 115.700 0.029 0.000 2.356 140 S HA -0.226 4.244 4.470 0.000 0.000 0.223 140 S C 1.953 176.520 174.600 -0.056 0.000 1.032 140 S CA 1.566 59.836 58.200 0.117 0.000 1.005 140 S CB -0.282 63.121 63.200 0.338 0.000 0.867 140 S HN 0.429 nan 8.310 nan 0.000 0.449 141 R N 0.734 121.041 120.500 -0.323 0.000 2.081 141 R HA -0.099 4.241 4.340 0.000 0.000 0.235 141 R C 2.125 178.094 176.300 -0.553 0.000 1.131 141 R CA 1.837 57.392 56.100 -0.909 0.000 0.960 141 R CB -0.570 28.948 30.300 -1.303 0.000 0.856 141 R HN 0.360 nan 8.270 nan 0.000 0.436 142 T N 1.337 115.674 114.554 -0.362 0.000 2.777 142 T HA -0.078 4.272 4.350 0.000 0.000 0.266 142 T C 1.801 176.257 174.700 -0.408 0.000 1.040 142 T CA 1.147 63.003 62.100 -0.408 0.000 1.141 142 T CB -0.094 68.613 68.868 -0.268 0.000 0.868 142 T HN 0.169 nan 8.240 nan 0.000 0.444 143 L N 0.435 121.568 121.223 -0.151 0.000 2.093 143 L HA -0.093 4.247 4.340 0.000 0.000 0.208 143 L C 2.877 179.756 176.870 0.015 0.000 1.085 143 L CA 0.853 55.699 54.840 0.010 0.000 0.755 143 L CB -0.711 41.401 42.059 0.087 0.000 0.904 143 L HN 0.394 nan 8.230 nan 0.000 0.435 144 C N -1.338 117.943 119.300 -0.032 0.000 2.436 144 C HA -0.167 4.293 4.460 0.000 0.000 0.277 144 C C 3.226 178.178 174.990 -0.063 0.000 1.241 144 C CA 1.124 60.151 59.018 0.014 0.000 1.721 144 C CB -0.657 27.104 27.740 0.036 0.000 2.043 144 C HN 0.501 nan 8.230 nan 0.000 0.472 145 S N 0.294 115.852 115.700 -0.237 0.000 2.372 145 S HA -0.188 4.282 4.470 0.000 0.000 0.227 145 S C 1.013 175.481 174.600 -0.220 0.000 1.044 145 S CA 2.066 60.093 58.200 -0.288 0.000 1.050 145 S CB -0.330 62.591 63.200 -0.465 0.000 0.901 145 S HN 0.802 nan 8.310 nan 0.000 0.447 146 Y N -1.193 118.987 120.300 -0.200 0.000 2.734 146 Y HA 0.813 5.363 4.550 0.000 0.000 0.278 146 Y C 1.010 176.729 175.900 -0.301 0.000 1.108 146 Y CA -0.947 56.962 58.100 -0.318 0.000 1.211 146 Y CB -0.962 37.208 38.460 -0.483 0.000 1.182 146 Y HN 0.116 nan 8.280 nan 0.000 0.547 147 A N 0.475 123.376 122.820 0.135 0.000 2.072 147 A HA 0.073 4.393 4.320 0.000 0.000 0.216 147 A C 1.879 179.691 177.584 0.380 0.000 1.156 147 A CA 1.036 53.308 52.037 0.392 0.000 0.701 147 A CB -0.285 18.900 19.000 0.308 0.000 0.816 147 A HN 0.623 nan 8.150 nan 0.000 0.458 148 L N -1.172 120.171 121.223 0.200 0.000 2.298 148 L HA 0.147 4.487 4.340 0.000 0.000 0.209 148 L C 2.228 179.134 176.870 0.059 0.000 1.084 148 L CA 1.319 56.242 54.840 0.139 0.000 0.816 148 L CB -0.155 41.957 42.059 0.088 0.000 0.967 148 L HN 0.339 nan 8.230 nan 0.000 0.460 149 K N -0.619 119.754 120.400 -0.046 0.000 2.148 149 K HA -0.134 4.186 4.320 0.000 0.000 0.204 149 K C 1.702 178.158 176.600 -0.239 0.000 1.050 149 K CA 1.718 57.861 56.287 -0.239 0.000 0.942 149 K CB -0.115 32.092 32.500 -0.488 0.000 0.724 149 K HN 0.323 nan 8.250 nan 0.000 0.446 150 F N -0.051 119.997 119.950 0.163 0.000 2.274 150 F HA 0.111 4.638 4.527 0.000 0.000 0.288 150 F C 1.357 177.238 175.800 0.137 0.000 1.069 150 F CA 0.191 58.296 58.000 0.175 0.000 1.343 150 F CB 0.341 39.500 39.000 0.265 0.000 1.089 150 F HN -0.062 nan 8.300 nan 0.000 0.517 151 N N -0.107 118.772 118.700 0.300 0.000 2.466 151 N HA 0.280 5.020 4.740 0.000 0.000 0.272 151 N C -0.355 175.016 175.510 -0.231 0.000 1.455 151 N CA 0.636 53.717 53.050 0.053 0.000 0.875 151 N CB 1.201 39.737 38.487 0.082 0.000 1.372 151 N HN 0.097 nan 8.380 nan 0.000 0.492 152 A N 0.525 123.299 122.820 -0.077 0.000 2.519 152 A HA -0.266 4.054 4.320 0.000 0.000 0.297 152 A C -0.639 176.832 177.584 -0.190 0.000 1.472 152 A CA 0.728 52.707 52.037 -0.097 0.000 0.739 152 A CB -2.481 16.467 19.000 -0.086 0.000 1.096 152 A HN 0.438 nan 8.150 nan 0.000 0.414 153 Y N -1.115 119.246 120.300 0.103 0.000 2.432 153 Y HA 0.536 5.087 4.550 0.000 0.000 0.322 153 Y C 1.259 177.211 175.900 0.085 0.000 1.246 153 Y CA -0.380 57.777 58.100 0.096 0.000 1.268 153 Y CB 1.027 39.558 38.460 0.118 0.000 1.276 153 Y HN 0.523 nan 8.280 nan 0.000 0.499 154 Q N 3.172 123.133 119.800 0.269 0.000 2.700 154 Q HA 0.276 4.616 4.340 0.000 0.000 0.249 154 Q C -2.700 173.403 176.000 0.171 0.000 1.033 154 Q CA -2.297 53.611 55.803 0.175 0.000 0.804 154 Q CB 0.938 29.744 28.738 0.114 0.000 1.164 154 Q HN 0.274 nan 8.270 nan 0.000 0.500 155 P HA -0.026 nan 4.420 nan 0.000 0.271 155 P C -0.617 176.782 177.300 0.165 0.000 1.216 155 P CA -0.499 62.696 63.100 0.158 0.000 0.776 155 P CB 0.920 32.724 31.700 0.174 0.000 0.881 156 L N 5.224 126.526 121.223 0.133 0.000 2.315 156 L HA 0.241 4.581 4.340 0.000 0.000 0.283 156 L C -0.591 176.386 176.870 0.178 0.000 1.089 156 L CA -0.743 54.171 54.840 0.124 0.000 0.833 156 L CB -0.666 41.431 42.059 0.063 0.000 1.170 156 L HN 0.293 nan 8.230 nan 0.000 0.442 157 Y N 6.015 126.374 120.300 0.099 0.000 2.341 157 Y HA 0.575 5.125 4.550 0.000 0.000 0.340 157 Y C -0.466 175.457 175.900 0.038 0.000 0.997 157 Y CA -0.605 57.560 58.100 0.109 0.000 1.149 157 Y CB 0.714 39.303 38.460 0.214 0.000 1.171 157 Y HN 0.537 nan 8.280 nan 0.000 0.494 158 I N 6.715 126.870 120.570 -0.690 0.000 2.359 158 I HA 0.164 4.334 4.170 0.000 0.000 0.284 158 I C -0.733 174.872 176.117 -0.853 0.000 1.018 158 I CA -0.691 60.246 61.300 -0.606 0.000 1.173 158 I CB 0.929 38.768 38.000 -0.269 0.000 1.326 158 I HN 0.628 nan 8.210 nan 0.000 0.462 159 N N 7.448 125.658 118.700 -0.817 0.000 2.408 159 N HA 0.278 5.018 4.740 0.000 0.000 0.257 159 N C -0.142 175.232 175.510 -0.226 0.000 1.064 159 N CA -0.105 52.646 53.050 -0.497 0.000 0.952 159 N CB 0.913 39.193 38.487 -0.346 0.000 1.093 159 N HN 0.608 nan 8.380 nan 0.000 0.490 160 L N 1.510 122.655 121.223 -0.129 0.000 2.818 160 L HA 0.289 4.629 4.340 0.000 0.000 0.243 160 L C -0.089 176.822 176.870 0.067 0.000 1.185 160 L CA -0.076 54.752 54.840 -0.020 0.000 0.988 160 L CB -0.006 42.051 42.059 -0.004 0.000 1.292 160 L HN 0.511 nan 8.230 nan 0.000 0.519 161 D N 0.689 121.091 120.400 0.004 0.000 2.462 161 D HA 0.205 4.845 4.640 0.000 0.000 0.249 161 D C -1.475 174.820 176.300 -0.009 0.000 1.117 161 D CA -2.169 51.828 54.000 -0.006 0.000 0.900 161 D CB 1.480 42.275 40.800 -0.008 0.000 1.039 161 D HN -0.160 nan 8.370 nan 0.000 0.516 162 P HA -0.227 nan 4.420 nan 0.000 0.217 162 P C 1.062 178.393 177.300 0.052 0.000 1.148 162 P CA 1.179 64.318 63.100 0.064 0.000 0.834 162 P CB 0.372 32.178 31.700 0.177 0.000 0.783 163 Q N -0.940 118.899 119.800 0.065 0.000 2.291 163 Q HA -0.122 4.218 4.340 0.000 0.000 0.205 163 Q C 1.120 177.128 176.000 0.013 0.000 0.970 163 Q CA 0.667 56.520 55.803 0.083 0.000 0.876 163 Q CB -0.248 28.539 28.738 0.082 0.000 0.935 163 Q HN 0.270 nan 8.270 nan 0.000 0.455 164 Q N 1.657 121.443 119.800 -0.023 0.000 2.390 164 Q HA 0.175 4.515 4.340 0.000 0.000 0.249 164 Q C -2.473 173.449 176.000 -0.129 0.000 0.996 164 Q CA -2.508 53.262 55.803 -0.054 0.000 0.899 164 Q CB 1.129 29.848 28.738 -0.032 0.000 1.216 164 Q HN -0.079 nan 8.270 nan 0.000 0.465 165 P HA 0.270 nan 4.420 nan 0.000 0.287 165 P C -0.942 176.194 177.300 -0.273 0.000 1.294 165 P CA -0.000 62.965 63.100 -0.224 0.000 0.776 165 P CB 0.741 32.301 31.700 -0.233 0.000 0.889 166 I N 4.282 124.660 120.570 -0.321 0.000 2.534 166 I HA 0.246 4.416 4.170 0.000 0.000 0.286 166 I C 0.417 176.328 176.117 -0.343 0.000 1.094 166 I CA -0.625 60.344 61.300 -0.552 0.000 1.055 166 I CB 1.060 38.551 38.000 -0.848 0.000 1.225 166 I HN 0.337 nan 8.210 nan 0.000 0.435 167 F N 1.574 121.433 119.950 -0.151 0.000 2.732 167 F HA -0.356 4.171 4.527 0.000 0.000 0.443 167 F C 0.751 176.521 175.800 -0.050 0.000 0.572 167 F CA 1.136 59.098 58.000 -0.064 0.000 1.050 167 F CB -1.172 37.807 39.000 -0.036 0.000 1.665 167 F HN 0.512 nan 8.300 nan 0.000 0.278 168 T N -1.292 113.272 114.554 0.015 0.000 2.591 168 T HA 0.670 5.021 4.350 0.000 0.000 0.274 168 T C 0.070 174.598 174.700 -0.285 0.000 0.945 168 T CA -0.262 61.781 62.100 -0.096 0.000 1.087 168 T CB 1.430 70.234 68.868 -0.108 0.000 1.416 168 T HN 0.201 nan 8.240 nan 0.000 0.514 169 V N -0.547 119.021 119.914 -0.577 0.000 3.295 169 V HA 0.617 4.737 4.120 0.000 0.000 0.308 169 V C -2.691 173.045 176.094 -0.597 0.000 1.068 169 V CA -2.055 59.840 62.300 -0.674 0.000 1.062 169 V CB -0.440 30.746 31.823 -1.063 0.000 1.162 169 V HN 0.605 nan 8.190 nan 0.000 0.456 170 P HA 0.370 nan 4.420 nan 0.000 0.282 170 P C 0.736 177.604 177.300 -0.721 0.000 1.286 170 P CA 1.066 63.777 63.100 -0.648 0.000 0.777 170 P CB 0.259 31.459 31.700 -0.832 0.000 1.184 171 G N -1.732 106.785 108.800 -0.472 0.000 2.198 171 G HA2 -0.184 3.776 3.960 0.000 0.000 0.260 171 G HA3 -0.184 3.776 3.960 0.000 0.000 0.260 171 G C -0.025 174.960 174.900 0.142 0.000 1.025 171 G CA 0.073 45.167 45.100 -0.010 0.000 0.769 171 G HN 0.879 nan 8.290 nan 0.000 0.507 172 C N -1.342 117.991 119.300 0.055 0.000 3.082 172 C HA 0.775 5.235 4.460 0.000 0.000 0.324 172 C C 0.335 175.361 174.990 0.061 0.000 1.210 172 C CA -1.472 57.620 59.018 0.123 0.000 1.366 172 C CB 0.910 28.733 27.740 0.138 0.000 1.756 172 C HN 1.200 nan 8.230 nan 0.000 0.485 173 I N 1.582 122.198 120.570 0.076 0.000 2.612 173 I HA 0.803 4.973 4.170 0.000 0.000 0.295 173 I C 0.136 176.242 176.117 -0.018 0.000 1.011 173 I CA 0.180 61.482 61.300 0.003 0.000 1.326 173 I CB 1.457 39.445 38.000 -0.020 0.000 1.427 173 I HN 0.988 nan 8.210 nan 0.000 0.537 174 S N 3.461 119.118 115.700 -0.072 0.000 2.556 174 S HA 0.866 5.336 4.470 0.000 0.000 0.271 174 S C -0.838 173.696 174.600 -0.109 0.000 1.135 174 S CA -0.698 57.468 58.200 -0.056 0.000 0.858 174 S CB 1.644 64.837 63.200 -0.011 0.000 1.114 174 S HN 1.193 nan 8.310 nan 0.000 0.468 175 A N 1.473 124.253 122.820 -0.065 0.000 2.319 175 A HA 0.811 5.131 4.320 0.000 0.000 0.310 175 A C -0.425 177.147 177.584 -0.020 0.000 1.152 175 A CA -0.668 51.328 52.037 -0.069 0.000 0.783 175 A CB 1.108 20.073 19.000 -0.059 0.000 1.184 175 A HN 0.822 nan 8.150 nan 0.000 0.474 176 T N 4.906 119.475 114.554 0.026 0.000 2.937 176 T HA 0.556 4.906 4.350 0.000 0.000 0.297 176 T C -3.002 171.730 174.700 0.054 0.000 0.991 176 T CA -0.931 61.168 62.100 -0.002 0.000 0.990 176 T CB 1.722 70.530 68.868 -0.100 0.000 0.991 176 T HN 0.403 nan 8.240 nan 0.000 0.440 177 P HA 0.277 nan 4.420 nan 0.000 0.276 177 P C -0.399 176.925 177.300 0.039 0.000 1.230 177 P CA -0.666 62.460 63.100 0.044 0.000 0.776 177 P CB 0.402 32.111 31.700 0.015 0.000 0.888 178 I N 2.799 123.434 120.570 0.108 0.000 2.260 178 I HA 0.058 4.228 4.170 0.000 0.000 0.297 178 I C 1.353 177.519 176.117 0.082 0.000 1.143 178 I CA 0.443 61.814 61.300 0.118 0.000 1.271 178 I CB -0.682 37.423 38.000 0.175 0.000 1.461 178 I HN 0.314 nan 8.210 nan 0.000 0.530 179 S N 4.492 120.218 115.700 0.043 0.000 2.349 179 S HA -0.095 4.375 4.470 0.000 0.000 0.216 179 S C 0.749 175.380 174.600 0.052 0.000 1.033 179 S CA 1.191 59.408 58.200 0.028 0.000 1.021 179 S CB 0.008 63.205 63.200 -0.006 0.000 0.968 179 S HN 0.852 nan 8.310 nan 0.000 0.426 180 D N -0.301 120.148 120.400 0.081 0.000 2.958 180 D HA 0.254 4.894 4.640 0.000 0.000 0.306 180 D C -0.441 175.921 176.300 0.103 0.000 1.226 180 D CA -0.965 53.094 54.000 0.098 0.000 1.032 180 D CB -0.244 40.634 40.800 0.130 0.000 1.400 180 D HN 0.184 nan 8.370 nan 0.000 0.587 181 I N 0.415 121.038 120.570 0.088 0.000 3.075 181 I HA -0.090 4.080 4.170 0.000 0.000 0.320 181 I C 0.697 176.872 176.117 0.097 0.000 1.211 181 I CA 0.133 61.476 61.300 0.071 0.000 1.463 181 I CB -0.392 37.644 38.000 0.061 0.000 1.308 181 I HN 0.157 nan 8.210 nan 0.000 0.553 182 L N 4.430 125.704 121.223 0.083 0.000 2.466 182 L HA 0.167 4.507 4.340 0.000 0.000 0.257 182 L C 0.637 177.562 176.870 0.092 0.000 1.189 182 L CA -0.240 54.671 54.840 0.118 0.000 0.813 182 L CB 0.212 42.292 42.059 0.036 0.000 1.118 182 L HN 0.601 nan 8.230 nan 0.000 0.471 183 D N 0.570 121.033 120.400 0.106 0.000 2.336 183 D HA 0.186 4.826 4.640 0.000 0.000 0.249 183 D C 0.617 176.951 176.300 0.057 0.000 1.213 183 D CA 0.031 54.080 54.000 0.081 0.000 0.870 183 D CB 1.777 42.614 40.800 0.062 0.000 1.076 183 D HN 0.571 nan 8.370 nan 0.000 0.483 184 A N 4.174 127.054 122.820 0.101 0.000 1.972 184 A HA -0.188 4.132 4.320 0.000 0.000 0.219 184 A C 1.608 179.346 177.584 0.256 0.000 1.169 184 A CA 1.128 53.244 52.037 0.131 0.000 0.635 184 A CB -0.364 18.672 19.000 0.060 0.000 0.810 184 A HN 0.741 nan 8.150 nan 0.000 0.446 185 Q N -0.567 119.333 119.800 0.167 0.000 2.228 185 Q HA 0.462 4.802 4.340 0.000 0.000 0.211 185 Q C -0.631 175.326 176.000 -0.072 0.000 0.890 185 Q CA -0.025 55.831 55.803 0.088 0.000 0.953 185 Q CB -0.288 28.283 28.738 -0.278 0.000 1.053 185 Q HN 0.518 nan 8.270 nan 0.000 0.471 186 L N 1.701 122.779 121.223 -0.241 0.000 2.409 186 L HA 0.354 4.694 4.340 0.000 0.000 0.272 186 L C -1.885 174.396 176.870 -0.981 0.000 0.980 186 L CA -2.304 52.214 54.840 -0.538 0.000 0.826 186 L CB 2.454 44.357 42.059 -0.261 0.000 1.268 186 L HN -0.125 nan 8.230 nan 0.000 0.407 187 P HA -0.110 nan 4.420 nan 0.000 0.222 187 P C 0.994 178.083 177.300 -0.351 0.000 1.147 187 P CA 1.026 63.460 63.100 -1.110 0.000 0.790 187 P CB 0.000 31.259 31.700 -0.736 0.000 0.780 188 T N -7.532 106.835 114.554 -0.311 0.000 3.188 188 T HA 0.107 4.457 4.350 0.000 0.000 0.250 188 T C 0.458 175.042 174.700 -0.193 0.000 1.077 188 T CA -0.370 61.597 62.100 -0.222 0.000 0.967 188 T CB -0.769 67.961 68.868 -0.229 0.000 1.006 188 T HN -0.010 nan 8.240 nan 0.000 0.552 189 W N 0.042 121.044 121.300 -0.496 0.000 0.608 189 W HA -0.230 4.430 4.660 -0.000 0.000 0.216 189 W C 1.016 177.406 176.519 -0.215 0.000 0.919 189 W CA 1.423 58.492 57.345 -0.460 0.000 0.336 189 W CB -2.078 26.862 29.460 -0.867 0.000 1.913 189 W HN 0.846 nan 8.180 nan 0.000 1.297 190 G N -1.903 106.941 108.800 0.073 0.000 2.474 190 G HA2 0.570 4.530 3.960 0.000 0.000 0.234 190 G HA3 0.570 4.530 3.960 0.000 0.000 0.234 190 G C -0.934 174.154 174.900 0.313 0.000 1.204 190 G CA 0.006 45.286 45.100 0.300 0.000 0.939 190 G HN 0.507 nan 8.290 nan 0.000 0.491 191 Q N -1.001 119.018 119.800 0.365 0.000 2.534 191 Q HA 0.678 5.018 4.340 0.000 0.000 0.290 191 Q C -0.418 175.684 176.000 0.171 0.000 0.991 191 Q CA -0.645 55.310 55.803 0.254 0.000 0.783 191 Q CB 1.586 30.391 28.738 0.112 0.000 1.470 191 Q HN 0.895 nan 8.270 nan 0.000 0.406 192 S N 0.387 116.163 115.700 0.126 0.000 2.587 192 S HA 0.240 4.710 4.470 0.000 0.000 0.260 192 S C 0.327 174.938 174.600 0.019 0.000 1.353 192 S CA -0.587 57.647 58.200 0.056 0.000 0.995 192 S CB 0.125 63.381 63.200 0.093 0.000 0.912 192 S HN 0.482 nan 8.310 nan 0.000 0.568 193 L N 2.211 123.435 121.223 0.003 0.000 2.499 193 L HA 0.224 4.564 4.340 0.000 0.000 0.281 193 L C 0.946 177.807 176.870 -0.015 0.000 1.234 193 L CA 0.041 54.880 54.840 -0.001 0.000 0.839 193 L CB 0.382 42.440 42.059 -0.002 0.000 1.104 193 L HN 0.938 nan 8.230 nan 0.000 0.500 194 T N -2.890 111.657 114.554 -0.012 0.000 2.907 194 T HA 0.254 4.604 4.350 0.000 0.000 0.290 194 T C 0.882 175.571 174.700 -0.019 0.000 1.066 194 T CA -0.161 61.923 62.100 -0.027 0.000 1.012 194 T CB 1.618 70.471 68.868 -0.025 0.000 1.184 194 T HN 0.609 nan 8.240 nan 0.000 0.522 195 S N -0.089 115.594 115.700 -0.027 0.000 2.402 195 S HA 0.191 4.661 4.470 0.000 0.000 0.229 195 S C 1.270 175.863 174.600 -0.012 0.000 1.021 195 S CA 0.569 58.756 58.200 -0.022 0.000 0.974 195 S CB -0.945 62.236 63.200 -0.031 0.000 0.800 195 S HN 1.172 nan 8.310 nan 0.000 0.484 196 G N 0.745 109.540 108.800 -0.008 0.000 2.940 196 G HA2 0.708 4.668 3.960 0.000 0.000 0.164 196 G HA3 0.708 4.668 3.960 0.000 0.000 0.164 196 G C -0.809 174.097 174.900 0.009 0.000 1.326 196 G CA -0.528 44.572 45.100 -0.001 0.000 1.020 196 G HN 0.713 nan 8.290 nan 0.000 0.586 197 A N -0.470 122.357 122.820 0.012 0.000 2.342 197 A HA 0.798 5.118 4.320 0.000 0.000 0.323 197 A C 0.091 177.679 177.584 0.006 0.000 1.125 197 A CA -0.132 51.919 52.037 0.023 0.000 0.785 197 A CB 1.237 20.256 19.000 0.032 0.000 1.221 197 A HN 1.198 nan 8.150 nan 0.000 0.463 198 T N 0.094 114.648 114.554 0.000 0.000 2.926 198 T HA 0.505 4.856 4.350 0.000 0.000 0.289 198 T C 1.000 175.657 174.700 -0.072 0.000 1.054 198 T CA -0.598 61.486 62.100 -0.026 0.000 1.015 198 T CB 0.859 69.718 68.868 -0.015 0.000 1.167 198 T HN 0.936 nan 8.240 nan 0.000 0.526 199 L N -0.987 120.192 121.223 -0.074 0.000 2.551 199 L HA 0.397 4.737 4.340 0.000 0.000 0.228 199 L C -0.119 176.667 176.870 -0.140 0.000 1.153 199 L CA 0.874 55.653 54.840 -0.103 0.000 0.851 199 L CB -1.786 40.229 42.059 -0.074 0.000 0.959 199 L HN 0.491 nan 8.230 nan 0.000 0.451 200 L N 0.717 121.868 121.223 -0.121 0.000 2.385 200 L HA 0.450 4.790 4.340 0.000 0.000 0.273 200 L C -0.285 176.535 176.870 -0.082 0.000 0.990 200 L CA -0.529 54.246 54.840 -0.108 0.000 0.821 200 L CB 1.885 43.936 42.059 -0.013 0.000 1.279 200 L HN -0.008 nan 8.230 nan 0.000 0.412 201 H N 3.548 122.633 119.070 0.025 0.000 3.086 201 H HA 0.155 4.711 4.556 0.000 0.000 0.265 201 H C -0.189 175.148 175.328 0.015 0.000 1.092 201 H CA -0.115 55.942 56.048 0.015 0.000 1.487 201 H CB 0.107 29.876 29.762 0.012 0.000 1.514 201 H HN 0.472 nan 8.280 nan 0.000 0.497 202 N N 2.481 121.256 118.700 0.125 0.000 2.288 202 N HA 0.057 4.798 4.740 0.000 0.000 0.237 202 N C 0.323 175.833 175.510 0.000 0.000 1.311 202 N CA -0.033 53.055 53.050 0.062 0.000 0.909 202 N CB 0.872 39.386 38.487 0.044 0.000 1.167 202 N HN 0.387 nan 8.380 nan 0.000 0.476 203 K N 0.569 120.916 120.400 -0.088 0.000 2.208 203 K HA 0.287 4.607 4.320 0.000 0.000 0.247 203 K C -0.355 176.147 176.600 -0.163 0.000 0.953 203 K CA -0.507 55.652 56.287 -0.215 0.000 0.837 203 K CB 1.142 33.288 32.500 -0.591 0.000 1.131 203 K HN 0.226 nan 8.250 nan 0.000 0.431 204 Q N 2.881 122.597 119.800 -0.140 0.000 2.465 204 Q HA 0.292 4.632 4.340 0.000 0.000 0.237 204 Q C -2.152 173.794 176.000 -0.090 0.000 1.051 204 Q CA -1.772 53.982 55.803 -0.081 0.000 0.874 204 Q CB 0.975 29.684 28.738 -0.049 0.000 1.207 204 Q HN 0.435 nan 8.270 nan 0.000 0.508 208 K N 1.184 121.632 120.400 0.079 0.000 2.474 208 K HA 0.293 4.613 4.320 0.000 0.000 0.202 208 K C 0.331 177.000 176.600 0.114 0.000 1.248 208 K CA 0.525 56.854 56.287 0.071 0.000 0.946 208 K CB 0.247 32.773 32.500 0.043 0.000 1.102 208 K HN 0.924 nan 8.250 nan 0.000 0.541 209 N N 0.554 119.362 118.700 0.180 0.000 2.413 209 N HA -0.210 4.530 4.740 0.000 0.000 0.282 209 N C 0.144 175.813 175.510 0.266 0.000 1.368 209 N CA 0.213 53.405 53.050 0.237 0.000 0.627 209 N CB -1.301 37.307 38.487 0.201 0.000 0.899 209 N HN 0.058 nan 8.380 nan 0.000 0.517 210 F N 3.151 123.193 119.950 0.154 0.000 2.149 210 F HA 0.248 4.775 4.527 0.000 0.000 0.294 210 F C 2.189 178.102 175.800 0.188 0.000 1.095 210 F CA 2.627 60.734 58.000 0.178 0.000 1.276 210 F CB -0.441 38.693 39.000 0.223 0.000 1.023 210 F HN 0.788 nan 8.300 nan 0.000 0.480 211 G N 0.614 109.520 108.800 0.176 0.000 2.268 211 G HA2 -0.268 3.692 3.960 0.000 0.000 0.240 211 G HA3 -0.268 3.692 3.960 0.000 0.000 0.240 211 G C 0.300 175.257 174.900 0.094 0.000 1.010 211 G CA 0.402 45.584 45.100 0.136 0.000 0.618 211 G HN 0.482 nan 8.290 nan 0.000 0.516 212 L N 0.376 121.499 121.223 -0.166 0.000 2.365 212 L HA 0.535 4.875 4.340 0.000 0.000 0.267 212 L C 1.765 178.704 176.870 0.114 0.000 1.033 212 L CA -1.160 53.594 54.840 -0.143 0.000 0.802 212 L CB 0.665 42.489 42.059 -0.391 0.000 1.267 212 L HN -0.040 nan 8.230 nan 0.000 0.457 213 E N 1.320 121.504 120.200 -0.027 0.000 2.038 213 E HA -0.149 4.201 4.350 0.000 0.000 0.195 213 E C 0.161 176.850 176.600 0.149 0.000 1.000 213 E CA 1.372 57.743 56.400 -0.050 0.000 0.803 213 E CB -0.011 29.639 29.700 -0.084 0.000 0.750 213 E HN 0.521 nan 8.360 nan 0.000 0.448 214 R N -1.294 119.332 120.500 0.209 0.000 2.739 214 R HA 0.372 4.712 4.340 0.000 0.000 0.271 214 R C 0.957 177.385 176.300 0.213 0.000 1.010 214 R CA -0.566 55.632 56.100 0.162 0.000 0.897 214 R CB 0.378 30.712 30.300 0.057 0.000 1.236 214 R HN -0.178 nan 8.270 nan 0.000 0.466 215 I N 1.489 121.994 120.570 -0.108 0.000 2.185 215 I HA -0.396 3.774 4.170 0.000 0.000 0.246 215 I C 1.699 177.800 176.117 -0.025 0.000 1.088 215 I CA 2.558 63.630 61.300 -0.379 0.000 1.347 215 I CB -0.589 36.974 38.000 -0.728 0.000 1.041 215 I HN 0.770 nan 8.210 nan 0.000 0.415 216 N N 0.525 119.227 118.700 0.004 0.000 2.585 216 N HA -0.197 4.543 4.740 0.000 0.000 0.188 216 N C 1.381 176.962 175.510 0.118 0.000 1.102 216 N CA 0.972 54.053 53.050 0.051 0.000 0.920 216 N CB -0.469 38.034 38.487 0.026 0.000 0.963 216 N HN 0.456 nan 8.380 nan 0.000 0.447 217 E N -0.893 119.421 120.200 0.191 0.000 2.216 217 E HA 0.005 4.355 4.350 0.000 0.000 0.192 217 E C -0.215 176.496 176.600 0.185 0.000 0.988 217 E CA 0.411 56.921 56.400 0.183 0.000 0.834 217 E CB 0.074 29.875 29.700 0.169 0.000 0.772 217 E HN 0.304 nan 8.360 nan 0.000 0.479 218 N N 0.174 119.055 118.700 0.302 0.000 2.747 218 N HA 0.051 4.791 4.740 0.000 0.000 0.262 218 N C 0.021 175.740 175.510 0.349 0.000 1.261 218 N CA -0.060 53.151 53.050 0.269 0.000 0.809 218 N CB 0.900 39.498 38.487 0.185 0.000 1.450 218 N HN -0.154 nan 8.380 nan 0.000 0.560 219 K N 0.658 121.185 120.400 0.212 0.000 2.057 219 K HA -0.066 4.254 4.320 0.000 0.000 0.206 219 K C 0.295 177.000 176.600 0.176 0.000 1.050 219 K CA 1.175 57.568 56.287 0.176 0.000 0.935 219 K CB 0.341 32.903 32.500 0.105 0.000 0.715 219 K HN 0.473 nan 8.250 nan 0.000 0.439 220 D N 1.292 121.771 120.400 0.131 0.000 2.149 220 D HA -0.143 4.497 4.640 0.000 0.000 0.201 220 D C 1.902 178.265 176.300 0.105 0.000 0.972 220 D CA 0.512 54.556 54.000 0.074 0.000 0.835 220 D CB -0.212 40.619 40.800 0.051 0.000 0.966 220 D HN 0.067 nan 8.370 nan 0.000 0.476 221 L N 0.182 121.521 121.223 0.194 0.000 2.093 221 L HA -0.193 4.147 4.340 0.000 0.000 0.208 221 L C 2.325 179.402 176.870 0.344 0.000 1.085 221 L CA 1.318 56.301 54.840 0.239 0.000 0.755 221 L CB -0.422 41.784 42.059 0.245 0.000 0.904 221 L HN 0.021 nan 8.230 nan 0.000 0.435 222 Y N 0.700 121.177 120.300 0.295 0.000 2.181 222 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 222 Y C 2.411 178.316 175.900 0.009 0.000 1.146 222 Y CA 1.681 59.808 58.100 0.045 0.000 1.164 222 Y CB -0.316 37.980 38.460 -0.274 0.000 0.982 222 Y HN 0.102 nan 8.280 nan 0.000 0.515 223 L N -0.221 120.950 121.223 -0.086 0.000 2.156 223 L HA -0.130 4.210 4.340 0.000 0.000 0.208 223 L C 2.499 179.314 176.870 -0.091 0.000 1.095 223 L CA 1.157 55.862 54.840 -0.225 0.000 0.770 223 L CB -0.507 41.315 42.059 -0.394 0.000 0.914 223 L HN 0.157 nan 8.230 nan 0.000 0.439 224 E N -0.103 120.080 120.200 -0.028 0.000 2.106 224 E HA -0.194 4.156 4.350 0.000 0.000 0.192 224 E C 2.317 178.926 176.600 0.014 0.000 0.984 224 E CA 1.057 57.467 56.400 0.016 0.000 0.806 224 E CB -0.223 29.497 29.700 0.032 0.000 0.750 224 E HN 0.475 nan 8.360 nan 0.000 0.458 225 C N 0.204 119.505 119.300 0.001 0.000 2.413 225 C HA -0.131 4.329 4.460 0.000 0.000 0.278 225 C C 2.782 177.725 174.990 -0.078 0.000 1.224 225 C CA 0.623 59.630 59.018 -0.018 0.000 1.732 225 C CB -1.090 26.652 27.740 0.003 0.000 2.050 225 C HN 0.416 nan 8.230 nan 0.000 0.463 226 I N 0.354 120.825 120.570 -0.166 0.000 2.194 226 I HA -0.243 3.927 4.170 0.000 0.000 0.246 226 I C 2.618 178.708 176.117 -0.045 0.000 1.093 226 I CA 1.554 62.774 61.300 -0.135 0.000 1.355 226 I CB -0.471 37.434 38.000 -0.158 0.000 1.046 226 I HN 0.295 nan 8.210 nan 0.000 0.413 227 S N 0.340 116.072 115.700 0.054 0.000 2.359 227 S HA -0.293 4.177 4.470 0.000 0.000 0.222 227 S C 1.963 176.554 174.600 -0.016 0.000 1.038 227 S CA 2.076 60.300 58.200 0.040 0.000 1.051 227 S CB -0.365 62.897 63.200 0.104 0.000 0.944 227 S HN 0.607 nan 8.310 nan 0.000 0.433 228 Q N 0.217 120.008 119.800 -0.014 0.000 2.311 228 Q HA 0.102 4.442 4.340 0.000 0.000 0.203 228 Q C 2.124 178.103 176.000 -0.036 0.000 0.954 228 Q CA 0.618 56.406 55.803 -0.026 0.000 0.885 228 Q CB -0.348 28.378 28.738 -0.021 0.000 0.963 228 Q HN 0.406 nan 8.270 nan 0.000 0.471 229 L N 1.528 122.725 121.223 -0.042 0.000 2.056 229 L HA -0.032 4.309 4.340 0.000 0.000 0.207 229 L C 2.183 179.019 176.870 -0.056 0.000 1.078 229 L CA 2.261 57.071 54.840 -0.050 0.000 0.749 229 L CB -1.351 40.670 42.059 -0.063 0.000 0.901 229 L HN 0.396 nan 8.230 nan 0.000 0.433 230 G N -0.527 108.233 108.800 -0.066 0.000 2.446 230 G HA2 -0.381 3.579 3.960 0.000 0.000 0.217 230 G HA3 -0.381 3.579 3.960 0.000 0.000 0.217 230 G C 1.436 176.303 174.900 -0.054 0.000 1.168 230 G CA 0.911 45.970 45.100 -0.069 0.000 0.771 230 G HN 0.551 nan 8.290 nan 0.000 0.551 231 Q N -0.137 119.632 119.800 -0.051 0.000 2.030 231 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 231 Q C 2.709 178.685 176.000 -0.041 0.000 0.986 231 Q CA 2.280 58.055 55.803 -0.046 0.000 0.843 231 Q CB -0.270 28.442 28.738 -0.044 0.000 0.904 231 Q HN 0.301 nan 8.270 nan 0.000 0.420 232 V N -0.108 119.781 119.914 -0.042 0.000 2.295 232 V HA -0.263 3.857 4.120 0.000 0.000 0.246 232 V C 2.362 178.439 176.094 -0.028 0.000 1.049 232 V CA 1.592 63.869 62.300 -0.039 0.000 1.024 232 V CB -0.675 31.122 31.823 -0.044 0.000 0.648 232 V HN 0.299 nan 8.190 nan 0.000 0.447 233 V N 1.098 120.995 119.914 -0.029 0.000 2.278 233 V HA -0.307 3.813 4.120 0.000 0.000 0.251 233 V C 2.651 178.743 176.094 -0.004 0.000 1.062 233 V CA 2.502 64.790 62.300 -0.020 0.000 1.038 233 V CB -1.480 30.324 31.823 -0.030 0.000 0.646 233 V HN 0.640 nan 8.190 nan 0.000 0.447 234 G N -1.558 107.237 108.800 -0.009 0.000 2.440 234 G HA2 -0.310 3.651 3.960 0.000 0.000 0.218 234 G HA3 -0.310 3.651 3.960 0.000 0.000 0.218 234 G C 1.470 176.390 174.900 0.032 0.000 1.154 234 G CA 0.954 46.059 45.100 0.007 0.000 0.767 234 G HN 0.569 nan 8.290 nan 0.000 0.552 235 Q N -0.621 119.185 119.800 0.010 0.000 2.170 235 Q HA -0.013 4.328 4.340 0.000 0.000 0.203 235 Q C 2.601 178.637 176.000 0.060 0.000 0.976 235 Q CA 0.980 56.799 55.803 0.026 0.000 0.858 235 Q CB -0.106 28.626 28.738 -0.011 0.000 0.907 235 Q HN 0.465 nan 8.270 nan 0.000 0.433 236 R N 0.256 120.776 120.500 0.034 0.000 2.062 236 R HA -0.115 4.225 4.340 0.000 0.000 0.226 236 R C 1.943 178.269 176.300 0.043 0.000 1.125 236 R CA 0.767 56.885 56.100 0.030 0.000 0.966 236 R CB -0.064 30.243 30.300 0.011 0.000 0.861 236 R HN 0.159 nan 8.270 nan 0.000 0.433 237 L N 0.840 122.093 121.223 0.049 0.000 2.081 237 L HA -0.240 4.100 4.340 0.000 0.000 0.212 237 L C 2.569 179.481 176.870 0.069 0.000 1.080 237 L CA 1.860 56.732 54.840 0.054 0.000 0.754 237 L CB -1.083 41.007 42.059 0.052 0.000 0.893 237 L HN 0.375 nan 8.230 nan 0.000 0.433 238 H N -0.914 118.157 119.070 0.002 0.000 2.423 238 H HA -0.078 4.479 4.556 0.000 0.000 0.297 238 H C 2.026 177.354 175.328 0.001 0.000 1.075 238 H CA 1.487 57.536 56.048 0.002 0.000 1.342 238 H CB 0.374 30.133 29.762 -0.004 0.000 1.395 238 H HN 0.306 nan 8.280 nan 0.000 0.530 239 L N -0.217 121.008 121.223 0.002 0.000 2.408 239 L HA 0.060 4.400 4.340 0.000 0.000 0.215 239 L C 0.440 177.285 176.870 -0.042 0.000 1.081 239 L CA 0.079 54.894 54.840 -0.041 0.000 0.840 239 L CB 0.317 42.394 42.059 0.030 0.000 1.002 239 L HN 0.054 nan 8.230 nan 0.000 0.468 240 D N 0.829 121.220 120.400 -0.016 0.000 2.396 240 D HA 0.136 4.776 4.640 0.000 0.000 0.225 240 D C -1.659 174.640 176.300 -0.002 0.000 1.121 240 D CA -2.098 51.898 54.000 -0.006 0.000 0.853 240 D CB 1.838 42.643 40.800 0.008 0.000 1.043 240 D HN -0.087 nan 8.370 nan 0.000 0.500 241 P HA -0.153 nan 4.420 nan 0.000 0.216 241 P C 1.229 178.552 177.300 0.038 0.000 1.153 241 P CA 1.087 64.189 63.100 0.004 0.000 0.848 241 P CB 0.670 32.367 31.700 -0.004 0.000 0.787 242 Q N -0.380 119.447 119.800 0.044 0.000 2.046 242 Q HA -0.081 4.260 4.340 0.000 0.000 0.200 242 Q C 2.324 178.387 176.000 0.105 0.000 0.975 242 Q CA 1.400 57.249 55.803 0.077 0.000 0.836 242 Q CB -0.627 28.146 28.738 0.057 0.000 0.896 242 Q HN 0.039 nan 8.270 nan 0.000 0.428 243 V N 0.766 120.725 119.914 0.075 0.000 2.358 243 V HA -0.269 3.851 4.120 0.000 0.000 0.246 243 V C 2.286 178.423 176.094 0.072 0.000 1.047 243 V CA 2.067 64.413 62.300 0.077 0.000 1.035 243 V CB -0.606 31.250 31.823 0.054 0.000 0.658 243 V HN 0.349 nan 8.190 nan 0.000 0.452 244 R N 0.807 121.343 120.500 0.059 0.000 2.073 244 R HA -0.233 4.107 4.340 0.000 0.000 0.234 244 R C 2.421 178.760 176.300 0.066 0.000 1.134 244 R CA 2.075 58.208 56.100 0.055 0.000 0.952 244 R CB -0.361 29.964 30.300 0.041 0.000 0.850 244 R HN 0.400 nan 8.270 nan 0.000 0.433 245 R N 1.254 121.806 120.500 0.087 0.000 2.091 245 R HA 0.025 4.365 4.340 0.000 0.000 0.238 245 R C 0.315 176.670 176.300 0.093 0.000 1.136 245 R CA 1.727 57.896 56.100 0.114 0.000 0.959 245 R CB -0.549 29.845 30.300 0.158 0.000 0.856 245 R HN 0.182 nan 8.270 nan 0.000 0.437 246 S N -0.564 115.212 115.700 0.126 0.000 2.598 246 S HA 0.378 4.848 4.470 0.000 0.000 0.256 246 S C 0.796 175.380 174.600 -0.026 0.000 1.350 246 S CA -0.431 57.798 58.200 0.047 0.000 0.984 246 S CB 0.616 63.918 63.200 0.171 0.000 0.930 246 S HN 0.588 nan 8.310 nan 0.000 0.577 247 G N -1.096 107.668 108.800 -0.058 0.000 2.481 247 G HA2 0.373 4.333 3.960 0.000 0.000 0.251 247 G HA3 0.373 4.333 3.960 0.000 0.000 0.251 247 G C -0.570 174.352 174.900 0.036 0.000 1.492 247 G CA -0.088 45.001 45.100 -0.020 0.000 1.060 247 G HN 0.821 nan 8.290 nan 0.000 0.553 248 C N -0.843 118.488 119.300 0.052 0.000 3.072 248 C HA 0.424 4.884 4.460 0.000 0.000 0.400 248 C C -0.960 174.077 174.990 0.078 0.000 1.075 248 C CA -0.858 58.198 59.018 0.064 0.000 1.272 248 C CB -0.771 26.990 27.740 0.035 0.000 1.670 248 C HN 0.485 nan 8.230 nan 0.000 0.516 249 I N 6.028 126.678 120.570 0.134 0.000 2.354 249 I HA 0.432 4.602 4.170 0.000 0.000 0.286 249 I C -0.153 176.048 176.117 0.140 0.000 1.007 249 I CA -0.309 61.094 61.300 0.172 0.000 1.167 249 I CB 1.612 39.767 38.000 0.259 0.000 1.320 249 I HN 0.331 nan 8.210 nan 0.000 0.458 250 V N 5.026 124.975 119.914 0.058 0.000 2.350 250 V HA 0.276 4.396 4.120 0.000 0.000 0.276 250 V C -0.281 175.821 176.094 0.014 0.000 1.028 250 V CA -0.535 61.747 62.300 -0.030 0.000 0.860 250 V CB 1.438 33.232 31.823 -0.047 0.000 0.990 250 V HN 0.576 nan 8.190 nan 0.000 0.453 251 D N 3.866 124.260 120.400 -0.011 0.000 2.232 251 D HA 0.516 5.156 4.640 0.000 0.000 0.242 251 D C 0.217 176.521 176.300 0.006 0.000 1.093 251 D CA -0.007 54.034 54.000 0.067 0.000 0.845 251 D CB 1.763 42.690 40.800 0.212 0.000 1.124 251 D HN 0.698 nan 8.370 nan 0.000 0.467 252 T N 1.094 115.663 114.554 0.025 0.000 2.950 252 T HA 0.718 5.068 4.350 0.000 0.000 0.288 252 T C -2.487 172.228 174.700 0.025 0.000 1.035 252 T CA -1.767 60.346 62.100 0.022 0.000 1.028 252 T CB 1.801 70.677 68.868 0.014 0.000 1.109 252 T HN 0.174 nan 8.240 nan 0.000 0.514 253 P HA 0.206 nan 4.420 nan 0.000 0.275 253 P C 0.049 177.353 177.300 0.006 0.000 1.266 253 P CA -0.429 62.670 63.100 -0.002 0.000 0.793 253 P CB 0.352 32.022 31.700 -0.049 0.000 1.074 254 S N 0.377 116.081 115.700 0.007 0.000 2.572 254 S HA 0.051 4.521 4.470 0.000 0.000 0.279 254 S C 1.599 176.207 174.600 0.014 0.000 1.341 254 S CA -0.678 57.532 58.200 0.016 0.000 1.043 254 S CB -0.229 62.981 63.200 0.018 0.000 0.887 254 S HN 0.502 nan 8.310 nan 0.000 0.516 255 I N 0.228 120.815 120.570 0.028 0.000 3.083 255 I HA -0.061 4.109 4.170 0.000 0.000 0.273 255 I C 1.381 177.515 176.117 0.029 0.000 1.297 255 I CA 1.262 62.584 61.300 0.036 0.000 1.452 255 I CB -2.103 35.931 38.000 0.056 0.000 1.078 255 I HN 0.745 nan 8.210 nan 0.000 0.484 256 S N -0.087 115.625 115.700 0.020 0.000 2.603 256 S HA 0.082 4.552 4.470 0.000 0.000 0.220 256 S C 1.490 176.091 174.600 0.002 0.000 0.967 256 S CA -0.022 58.186 58.200 0.015 0.000 0.920 256 S CB -0.133 63.076 63.200 0.015 0.000 0.773 256 S HN 0.552 nan 8.310 nan 0.000 0.529 257 Q N 0.252 120.047 119.800 -0.009 0.000 2.247 257 Q HA 0.442 4.782 4.340 0.000 0.000 0.211 257 Q C 0.136 176.110 176.000 -0.044 0.000 0.861 257 Q CA 0.145 55.926 55.803 -0.037 0.000 0.949 257 Q CB 0.455 29.154 28.738 -0.066 0.000 1.115 257 Q HN 0.565 nan 8.270 nan 0.000 0.507 258 L N -0.447 120.771 121.223 -0.009 0.000 2.216 258 L HA 0.437 4.777 4.340 0.000 0.000 0.260 258 L C -0.007 176.882 176.870 0.032 0.000 1.036 258 L CA -1.138 53.709 54.840 0.012 0.000 0.914 258 L CB 0.780 42.862 42.059 0.039 0.000 1.501 258 L HN -0.154 nan 8.230 nan 0.000 0.485 259 D N 0.103 120.534 120.400 0.052 0.000 2.344 259 D HA 0.040 4.680 4.640 0.000 0.000 0.244 259 D C 0.752 177.087 176.300 0.059 0.000 1.134 259 D CA -0.276 53.756 54.000 0.053 0.000 0.930 259 D CB 1.361 42.199 40.800 0.062 0.000 1.175 259 D HN 0.450 nan 8.370 nan 0.000 0.437 260 E N 1.137 121.365 120.200 0.046 0.000 2.058 260 E HA -0.189 4.161 4.350 0.000 0.000 0.194 260 E C 1.411 178.040 176.600 0.050 0.000 0.997 260 E CA 1.189 57.615 56.400 0.043 0.000 0.801 260 E CB -0.113 29.604 29.700 0.029 0.000 0.746 260 E HN 0.492 nan 8.360 nan 0.000 0.450 261 N N 0.663 119.392 118.700 0.049 0.000 2.459 261 N HA -0.139 4.601 4.740 0.000 0.000 0.181 261 N C 0.740 176.308 175.510 0.097 0.000 1.046 261 N CA 0.350 53.430 53.050 0.050 0.000 0.904 261 N CB -0.538 37.972 38.487 0.039 0.000 0.964 261 N HN 0.154 nan 8.380 nan 0.000 0.444 262 L N -1.619 119.681 121.223 0.129 0.000 3.533 262 L HA -0.237 4.103 4.340 0.000 0.000 0.477 262 L C 1.198 178.233 176.870 0.274 0.000 1.306 262 L CA 0.104 55.062 54.840 0.197 0.000 0.850 262 L CB -1.980 40.244 42.059 0.275 0.000 1.654 262 L HN 0.337 nan 8.230 nan 0.000 0.863 263 A N -0.463 122.492 122.820 0.224 0.000 2.019 263 A HA -0.142 4.178 4.320 0.000 0.000 0.219 263 A C 1.954 179.699 177.584 0.269 0.000 1.164 263 A CA 1.873 54.062 52.037 0.253 0.000 0.644 263 A CB -0.064 19.017 19.000 0.135 0.000 0.805 263 A HN 0.679 nan 8.150 nan 0.000 0.449 264 E N 0.085 120.415 120.200 0.216 0.000 2.072 264 E HA -0.068 4.282 4.350 0.000 0.000 0.191 264 E C 1.854 178.590 176.600 0.226 0.000 0.985 264 E CA 0.843 57.371 56.400 0.215 0.000 0.801 264 E CB -0.339 29.483 29.700 0.204 0.000 0.750 264 E HN 0.586 nan 8.360 nan 0.000 0.452 265 L N 0.519 121.858 121.223 0.193 0.000 2.042 265 L HA -0.228 4.112 4.340 0.000 0.000 0.210 265 L C 2.449 179.392 176.870 0.121 0.000 1.076 265 L CA 1.214 56.099 54.840 0.074 0.000 0.749 265 L CB -0.420 41.599 42.059 -0.066 0.000 0.893 265 L HN 0.345 nan 8.230 nan 0.000 0.432 266 H N -1.436 117.849 119.070 0.358 0.000 2.319 266 H HA -0.255 4.301 4.556 0.000 0.000 0.297 266 H C 2.197 177.631 175.328 0.177 0.000 1.097 266 H CA 1.938 58.169 56.048 0.305 0.000 1.285 266 H CB -0.345 29.556 29.762 0.231 0.000 1.368 266 H HN 0.458 nan 8.280 nan 0.000 0.495 267 H N 0.597 119.792 119.070 0.209 0.000 2.423 267 H HA -0.055 4.502 4.556 0.000 0.000 0.297 267 H C 2.386 177.736 175.328 0.038 0.000 1.075 267 H CA 0.947 57.054 56.048 0.099 0.000 1.342 267 H CB 0.102 29.905 29.762 0.069 0.000 1.395 267 H HN 0.256 nan 8.280 nan 0.000 0.530 268 I N 0.366 120.969 120.570 0.055 0.000 2.142 268 I HA -0.287 3.883 4.170 0.000 0.000 0.240 268 I C 2.557 178.628 176.117 -0.076 0.000 1.078 268 I CA 1.031 62.305 61.300 -0.043 0.000 1.343 268 I CB -0.238 37.751 38.000 -0.019 0.000 1.046 268 I HN 0.176 nan 8.210 nan 0.000 0.405 269 I N 0.965 121.512 120.570 -0.038 0.000 2.163 269 I HA -0.334 3.836 4.170 0.000 0.000 0.243 269 I C 2.691 178.793 176.117 -0.024 0.000 1.085 269 I CA 1.999 63.282 61.300 -0.029 0.000 1.347 269 I CB -0.438 37.563 38.000 0.001 0.000 1.044 269 I HN 0.374 nan 8.210 nan 0.000 0.408 270 E N 0.606 120.790 120.200 -0.026 0.000 2.046 270 E HA -0.196 4.154 4.350 0.000 0.000 0.190 270 E C 1.947 178.483 176.600 -0.106 0.000 0.982 270 E CA 0.735 57.107 56.400 -0.046 0.000 0.800 270 E CB -0.234 29.451 29.700 -0.025 0.000 0.756 270 E HN 0.276 nan 8.360 nan 0.000 0.449 271 K N 0.547 120.823 120.400 -0.208 0.000 2.217 271 K HA 0.068 4.388 4.320 0.000 0.000 0.202 271 K C 1.888 178.410 176.600 -0.130 0.000 1.051 271 K CA 0.642 56.801 56.287 -0.213 0.000 0.952 271 K CB 0.108 32.390 32.500 -0.364 0.000 0.736 271 K HN 0.268 nan 8.250 nan 0.000 0.453 272 L N 0.654 121.811 121.223 -0.110 0.000 2.700 272 L HA 0.106 4.446 4.340 0.000 0.000 0.234 272 L C -0.582 176.261 176.870 -0.045 0.000 1.156 272 L CA -0.217 54.579 54.840 -0.074 0.000 0.946 272 L CB -0.371 41.641 42.059 -0.077 0.000 1.216 272 L HN 0.132 nan 8.230 nan 0.000 0.493 273 N N -0.128 118.548 118.700 -0.040 0.000 2.714 273 N HA -0.158 4.582 4.740 0.000 0.000 0.252 273 N C -0.485 175.021 175.510 -0.007 0.000 1.014 273 N CA 0.338 53.378 53.050 -0.016 0.000 0.735 273 N CB -1.172 37.311 38.487 -0.006 0.000 0.924 273 N HN -0.016 nan 8.380 nan 0.000 0.540 274 V N 1.069 120.975 119.914 -0.013 0.000 2.572 274 V HA 0.117 4.237 4.120 0.000 0.000 0.291 274 V C 1.419 177.519 176.094 0.010 0.000 1.039 274 V CA 0.168 62.464 62.300 -0.007 0.000 1.055 274 V CB 1.336 33.141 31.823 -0.030 0.000 0.969 274 V HN 0.613 nan 8.190 nan 0.000 0.482 275 N N 4.333 123.047 118.700 0.022 0.000 2.159 275 N HA 0.223 4.963 4.740 0.000 0.000 0.217 275 N C -0.171 175.376 175.510 0.061 0.000 1.223 275 N CA -0.047 53.025 53.050 0.036 0.000 0.896 275 N CB 1.363 39.868 38.487 0.030 0.000 1.064 275 N HN 0.647 nan 8.380 nan 0.000 0.518 279 V N 4.316 124.380 119.914 0.250 0.000 2.311 279 V HA 0.319 4.439 4.120 0.000 0.000 0.275 279 V C 0.336 176.545 176.094 0.191 0.000 1.022 279 V CA -0.360 62.087 62.300 0.244 0.000 0.830 279 V CB 1.513 33.581 31.823 0.407 0.000 1.012 279 V HN 0.498 nan 8.190 nan 0.000 0.452 280 L N 4.901 126.196 121.223 0.120 0.000 2.536 280 L HA 0.271 4.611 4.340 0.000 0.000 0.282 280 L C -0.030 176.886 176.870 0.077 0.000 1.174 280 L CA 0.555 55.437 54.840 0.072 0.000 0.989 280 L CB -0.014 42.070 42.059 0.041 0.000 1.311 280 L HN 0.716 nan 8.230 nan 0.000 0.455 281 C N 1.441 120.794 119.300 0.088 0.000 2.985 281 C HA 0.600 5.060 4.460 0.000 0.000 0.314 281 C C 0.531 175.538 174.990 0.028 0.000 1.215 281 C CA -0.641 58.422 59.018 0.075 0.000 1.414 281 C CB 1.987 29.813 27.740 0.144 0.000 1.842 281 C HN 0.819 nan 8.230 nan 0.000 0.477 282 S N 2.519 118.210 115.700 -0.015 0.000 2.646 282 S HA 0.491 4.961 4.470 0.000 0.000 0.273 282 S C 0.150 174.636 174.600 -0.191 0.000 1.168 282 S CA -0.168 57.997 58.200 -0.059 0.000 1.013 282 S CB 0.593 63.774 63.200 -0.032 0.000 1.098 282 S HN 0.772 nan 8.310 nan 0.000 0.544 283 E N -0.007 120.080 120.200 -0.189 0.000 2.585 283 E HA 0.242 4.592 4.350 0.000 0.000 0.206 283 E C -0.036 176.510 176.600 -0.090 0.000 1.007 283 E CA 0.012 56.266 56.400 -0.243 0.000 1.028 283 E CB 0.473 29.982 29.700 -0.318 0.000 1.087 283 E HN 0.718 nan 8.360 nan 0.000 0.455 284 T N -0.650 113.877 114.554 -0.045 0.000 2.958 284 T HA 0.007 4.357 4.350 0.000 0.000 0.256 284 T C 0.437 175.145 174.700 0.013 0.000 0.983 284 T CA -0.325 61.770 62.100 -0.009 0.000 0.924 284 T CB 0.710 69.574 68.868 -0.008 0.000 1.136 284 T HN -0.015 nan 8.240 nan 0.000 0.506 285 D N 3.466 123.877 120.400 0.018 0.000 2.382 285 D HA 0.076 4.716 4.640 0.000 0.000 0.259 285 D C -1.393 174.957 176.300 0.084 0.000 1.224 285 D CA -1.731 52.297 54.000 0.047 0.000 0.894 285 D CB 1.617 42.448 40.800 0.052 0.000 1.127 285 D HN 0.101 nan 8.370 nan 0.000 0.487 286 P HA -0.114 nan 4.420 nan 0.000 0.234 286 P C 1.662 179.009 177.300 0.079 0.000 1.167 286 P CA -0.076 63.063 63.100 0.065 0.000 0.763 286 P CB 0.405 32.128 31.700 0.037 0.000 0.835 287 L N -0.503 120.783 121.223 0.104 0.000 2.042 287 L HA -0.132 4.208 4.340 0.000 0.000 0.210 287 L C 2.151 179.121 176.870 0.167 0.000 1.076 287 L CA 1.996 56.908 54.840 0.121 0.000 0.749 287 L CB -1.361 40.774 42.059 0.126 0.000 0.893 287 L HN 0.148 nan 8.230 nan 0.000 0.432 288 W N 1.081 122.383 121.300 0.003 0.000 2.338 288 W HA -0.245 4.415 4.660 0.000 0.000 0.304 288 W C 2.060 178.575 176.519 -0.007 0.000 1.212 288 W CA 1.305 58.645 57.345 -0.009 0.000 1.264 288 W CB 0.035 29.442 29.460 -0.090 0.000 1.142 288 W HN 0.237 nan 8.180 nan 0.000 0.512 289 E N 0.880 120.996 120.200 -0.141 0.000 2.047 289 E HA -0.226 4.124 4.350 0.000 0.000 0.191 289 E C 2.064 178.536 176.600 -0.213 0.000 0.987 289 E CA 2.146 58.391 56.400 -0.260 0.000 0.799 289 E CB -0.560 29.081 29.700 -0.098 0.000 0.752 289 E HN 0.541 nan 8.360 nan 0.000 0.449 290 K N 0.544 120.883 120.400 -0.103 0.000 2.217 290 K HA -0.001 4.319 4.320 0.000 0.000 0.202 290 K C 2.044 178.594 176.600 -0.083 0.000 1.051 290 K CA 0.912 57.149 56.287 -0.083 0.000 0.952 290 K CB -0.216 32.264 32.500 -0.033 0.000 0.736 290 K HN -0.133 nan 8.250 nan 0.000 0.453 291 V N 2.016 121.910 119.914 -0.034 0.000 2.343 291 V HA -0.212 3.909 4.120 0.000 0.000 0.247 291 V C 2.381 178.454 176.094 -0.035 0.000 1.051 291 V CA 1.825 64.186 62.300 0.101 0.000 1.036 291 V CB -0.402 31.497 31.823 0.127 0.000 0.654 291 V HN 0.387 nan 8.190 nan 0.000 0.451 292 K N -0.197 120.022 120.400 -0.301 0.000 2.026 292 K HA -0.178 4.142 4.320 0.000 0.000 0.208 292 K C 2.203 178.688 176.600 -0.193 0.000 1.048 292 K CA 1.449 57.537 56.287 -0.332 0.000 0.929 292 K CB -0.166 32.015 32.500 -0.530 0.000 0.713 292 K HN 0.389 nan 8.250 nan 0.000 0.439 293 K N -0.330 119.960 120.400 -0.184 0.000 2.296 293 K HA -0.016 4.304 4.320 0.000 0.000 0.200 293 K C 1.764 178.264 176.600 -0.166 0.000 1.048 293 K CA 1.038 57.237 56.287 -0.147 0.000 0.966 293 K CB 0.293 32.717 32.500 -0.127 0.000 0.754 293 K HN 0.109 nan 8.250 nan 0.000 0.466 294 T N -0.309 114.093 114.554 -0.254 0.000 3.010 294 T HA 0.071 4.421 4.350 0.000 0.000 0.252 294 T C 1.096 175.429 174.700 -0.611 0.000 1.047 294 T CA 0.699 62.511 62.100 -0.480 0.000 1.140 294 T CB 0.055 68.469 68.868 -0.756 0.000 0.885 294 T HN 0.090 nan 8.240 nan 0.000 0.464 295 F N 0.466 120.382 119.950 -0.056 0.000 2.728 295 F HA 0.408 4.935 4.527 0.000 0.000 0.314 295 F C 2.297 178.070 175.800 -0.045 0.000 1.094 295 F CA -0.600 57.364 58.000 -0.059 0.000 1.217 295 F CB -0.158 38.775 39.000 -0.111 0.000 1.056 295 F HN 0.153 nan 8.300 nan 0.000 0.577 296 G N 2.025 110.854 108.800 0.049 0.000 2.446 296 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 296 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 296 G C -0.662 174.245 174.900 0.011 0.000 1.168 296 G CA 0.894 45.993 45.100 -0.000 0.000 0.771 296 G HN 0.187 nan 8.290 nan 0.000 0.551 297 P HA -0.079 nan 4.420 nan 0.000 0.216 297 P C 1.757 179.079 177.300 0.037 0.000 1.150 297 P CA 1.123 64.229 63.100 0.010 0.000 0.843 297 P CB 0.166 31.866 31.700 -0.001 0.000 0.787 298 E N -1.329 118.917 120.200 0.077 0.000 2.166 298 E HA 0.096 4.446 4.350 0.000 0.000 0.192 298 E C 1.938 178.582 176.600 0.073 0.000 0.967 298 E CA 0.690 57.144 56.400 0.090 0.000 0.840 298 E CB -0.254 29.535 29.700 0.148 0.000 0.795 298 E HN 0.257 nan 8.360 nan 0.000 0.470 299 L N -0.647 120.624 121.223 0.080 0.000 2.408 299 L HA 0.241 4.582 4.340 0.000 0.000 0.215 299 L C 0.864 177.752 176.870 0.031 0.000 1.081 299 L CA 0.425 55.299 54.840 0.057 0.000 0.840 299 L CB 0.135 42.233 42.059 0.065 0.000 1.002 299 L HN 0.077 nan 8.230 nan 0.000 0.468 300 G N 0.762 109.574 108.800 0.020 0.000 2.999 300 G HA2 -0.235 3.725 3.960 0.000 0.000 0.686 300 G HA3 -0.235 3.725 3.960 0.000 0.000 0.686 300 G C -0.047 174.837 174.900 -0.028 0.000 1.057 300 G CA -0.186 44.911 45.100 -0.005 0.000 0.784 300 G HN 0.165 nan 8.290 nan 0.000 0.575 301 N N 0.940 119.612 118.700 -0.047 0.000 2.258 301 N HA -0.128 4.612 4.740 0.000 0.000 0.187 301 N C 2.071 177.518 175.510 -0.105 0.000 1.012 301 N CA 1.600 54.603 53.050 -0.077 0.000 0.870 301 N CB -0.251 38.191 38.487 -0.076 0.000 0.977 301 N HN 0.745 nan 8.380 nan 0.000 0.434 302 N N -0.010 118.636 118.700 -0.090 0.000 2.272 302 N HA -0.059 4.681 4.740 0.000 0.000 0.185 302 N C 0.226 175.592 175.510 -0.240 0.000 1.014 302 N CA 0.608 53.581 53.050 -0.128 0.000 0.870 302 N CB -0.001 38.458 38.487 -0.046 0.000 0.975 302 N HN 0.285 nan 8.380 nan 0.000 0.433 303 N N 0.300 118.910 118.700 -0.149 0.000 2.230 303 N HA 0.182 4.922 4.740 0.000 0.000 0.202 303 N C -0.605 174.869 175.510 -0.060 0.000 1.119 303 N CA 0.232 53.250 53.050 -0.054 0.000 0.851 303 N CB 0.917 39.439 38.487 0.058 0.000 0.990 303 N HN 0.195 nan 8.380 nan 0.000 0.497 304 I N 0.782 121.227 120.570 -0.208 0.000 2.378 304 I HA 0.344 4.514 4.170 0.000 0.000 0.291 304 I C -0.823 175.255 176.117 -0.066 0.000 0.992 304 I CA -0.627 60.668 61.300 -0.009 0.000 1.154 304 I CB 0.826 38.845 38.000 0.032 0.000 1.315 304 I HN -0.252 nan 8.210 nan 0.000 0.448 305 F N 5.937 126.083 119.950 0.327 0.000 2.532 305 F HA 0.515 5.042 4.527 0.000 0.000 0.321 305 F C -0.114 175.859 175.800 0.289 0.000 1.089 305 F CA -0.879 57.291 58.000 0.282 0.000 0.926 305 F CB 1.688 40.754 39.000 0.111 0.000 1.168 305 F HN 0.264 nan 8.300 nan 0.000 0.459 306 F N 1.709 121.701 119.950 0.071 0.000 2.450 306 F HA 0.892 5.419 4.527 0.000 0.000 0.332 306 F C -1.201 174.555 175.800 -0.074 0.000 1.093 306 F CA -1.324 56.555 58.000 -0.202 0.000 1.003 306 F CB 0.918 39.344 39.000 -0.956 0.000 1.151 306 F HN 0.259 nan 8.300 nan 0.000 0.474 307 I N 3.497 124.034 120.570 -0.056 0.000 2.439 307 I HA 0.377 4.547 4.170 0.000 0.000 0.285 307 I C -2.622 173.412 176.117 -0.137 0.000 1.021 307 I CA -2.402 58.802 61.300 -0.159 0.000 1.091 307 I CB 1.733 39.689 38.000 -0.074 0.000 1.242 307 I HN 0.383 nan 8.210 nan 0.000 0.439 308 P HA 0.020 nan 4.420 nan 0.000 0.263 308 P C -0.753 176.392 177.300 -0.257 0.000 1.195 308 P CA -0.175 62.789 63.100 -0.226 0.000 0.762 308 P CB 0.280 31.766 31.700 -0.357 0.000 0.799 309 K N 3.148 123.472 120.400 -0.127 0.000 2.530 309 K HA -0.027 4.293 4.320 0.000 0.000 0.280 309 K C 0.344 176.875 176.600 -0.115 0.000 1.004 309 K CA 0.135 56.367 56.287 -0.092 0.000 1.071 309 K CB -0.226 32.246 32.500 -0.046 0.000 0.876 309 K HN 0.395 nan 8.250 nan 0.000 0.487 310 L N 2.589 123.757 121.223 -0.091 0.000 2.467 310 L HA 0.025 4.365 4.340 0.000 0.000 0.270 310 L C 0.406 177.246 176.870 -0.050 0.000 1.205 310 L CA -0.369 54.423 54.840 -0.081 0.000 0.828 310 L CB 0.110 42.136 42.059 -0.055 0.000 1.101 310 L HN 0.563 nan 8.230 nan 0.000 0.479 311 D N 1.093 121.471 120.400 -0.038 0.000 2.399 311 D HA 0.284 4.924 4.640 0.000 0.000 0.241 311 D C 1.103 177.387 176.300 -0.027 0.000 1.133 311 D CA 1.121 55.112 54.000 -0.016 0.000 0.890 311 D CB 1.213 42.017 40.800 0.008 0.000 1.201 311 D HN 0.783 nan 8.370 nan 0.000 0.432 312 G N 0.490 109.273 108.800 -0.027 0.000 2.245 312 G HA2 -0.295 3.666 3.960 0.000 0.000 0.264 312 G HA3 -0.295 3.666 3.960 0.000 0.000 0.264 312 G C 0.387 175.264 174.900 -0.038 0.000 0.985 312 G CA 0.319 45.393 45.100 -0.043 0.000 0.625 312 G HN 0.519 nan 8.290 nan 0.000 0.536 313 V N 2.882 122.784 119.914 -0.020 0.000 2.409 313 V HA 0.430 4.550 4.120 0.000 0.000 0.270 313 V C 1.109 177.188 176.094 -0.026 0.000 1.019 313 V CA 0.474 62.768 62.300 -0.009 0.000 1.066 313 V CB 0.390 32.212 31.823 -0.000 0.000 1.021 313 V HN 0.891 nan 8.190 nan 0.000 0.476 314 S N 4.450 120.125 115.700 -0.042 0.000 2.654 314 S HA 0.806 5.276 4.470 0.000 0.000 0.283 314 S C 0.240 174.803 174.600 -0.061 0.000 1.180 314 S CA -0.354 57.809 58.200 -0.062 0.000 1.021 314 S CB 1.704 64.846 63.200 -0.096 0.000 1.018 314 S HN 1.143 nan 8.310 nan 0.000 0.532 315 A N 1.241 124.026 122.820 -0.058 0.000 2.483 315 A HA 0.522 4.842 4.320 0.000 0.000 0.238 315 A C -0.215 177.320 177.584 -0.082 0.000 1.070 315 A CA -0.436 51.571 52.037 -0.050 0.000 0.770 315 A CB -0.174 18.804 19.000 -0.037 0.000 1.008 315 A HN 0.953 nan 8.150 nan 0.000 0.497 316 V N 4.132 124.015 119.914 -0.051 0.000 2.483 316 V HA 0.285 4.405 4.120 0.000 0.000 0.297 316 V C -0.227 175.879 176.094 0.021 0.000 1.027 316 V CA -0.691 61.575 62.300 -0.056 0.000 0.855 316 V CB 1.605 33.428 31.823 0.000 0.000 0.995 316 V HN 1.109 nan 8.190 nan 0.000 0.424 317 D N 3.059 123.482 120.400 0.038 0.000 2.451 317 D HA 0.161 4.801 4.640 0.000 0.000 0.259 317 D C 0.205 176.578 176.300 0.123 0.000 1.201 317 D CA -0.431 53.610 54.000 0.069 0.000 1.028 317 D CB 1.317 42.150 40.800 0.055 0.000 1.095 317 D HN 0.438 nan 8.370 nan 0.000 0.539 318 D N -0.323 120.133 120.400 0.093 0.000 2.123 318 D HA -0.088 4.552 4.640 0.000 0.000 0.200 318 D C 2.177 178.540 176.300 0.104 0.000 0.976 318 D CA 0.690 54.744 54.000 0.090 0.000 0.831 318 D CB -0.089 40.743 40.800 0.054 0.000 0.974 318 D HN 0.160 nan 8.370 nan 0.000 0.469 319 V N 1.203 121.179 119.914 0.103 0.000 2.287 319 V HA -0.286 3.834 4.120 0.000 0.000 0.248 319 V C 2.347 178.517 176.094 0.127 0.000 1.053 319 V CA 1.514 63.872 62.300 0.097 0.000 1.027 319 V CB -0.751 31.123 31.823 0.084 0.000 0.646 319 V HN 0.173 nan 8.190 nan 0.000 0.447 320 Y N 1.080 121.410 120.300 0.051 0.000 2.165 320 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 320 Y C 2.574 178.518 175.900 0.073 0.000 1.155 320 Y CA 2.351 60.490 58.100 0.066 0.000 1.164 320 Y CB -0.140 38.360 38.460 0.067 0.000 0.978 320 Y HN 0.144 nan 8.280 nan 0.000 0.513 321 K N -0.052 120.446 120.400 0.162 0.000 2.097 321 K HA -0.105 4.215 4.320 0.000 0.000 0.205 321 K C 2.232 178.836 176.600 0.005 0.000 1.050 321 K CA 1.248 57.582 56.287 0.078 0.000 0.938 321 K CB -0.070 32.519 32.500 0.148 0.000 0.718 321 K HN 0.269 nan 8.250 nan 0.000 0.442 322 R N -0.382 120.139 120.500 0.035 0.000 2.148 322 R HA -0.064 4.276 4.340 0.000 0.000 0.227 322 R C 2.441 178.745 176.300 0.007 0.000 1.103 322 R CA 1.209 57.334 56.100 0.043 0.000 0.983 322 R CB -0.199 30.136 30.300 0.058 0.000 0.874 322 R HN 0.152 nan 8.270 nan 0.000 0.451 323 S N 0.973 116.647 115.700 -0.043 0.000 2.368 323 S HA -0.108 4.362 4.470 0.000 0.000 0.224 323 S C 1.893 176.417 174.600 -0.128 0.000 1.029 323 S CA 0.818 58.975 58.200 -0.070 0.000 0.988 323 S CB -0.030 63.115 63.200 -0.092 0.000 0.838 323 S HN 0.187 nan 8.310 nan 0.000 0.462 324 L N 1.477 122.558 121.223 -0.236 0.000 2.141 324 L HA 0.017 4.357 4.340 0.000 0.000 0.209 324 L C 2.635 179.418 176.870 -0.145 0.000 1.094 324 L CA 1.650 56.351 54.840 -0.231 0.000 0.763 324 L CB -0.527 41.356 42.059 -0.293 0.000 0.908 324 L HN 0.395 nan 8.230 nan 0.000 0.437 325 Q N -1.241 118.500 119.800 -0.098 0.000 2.119 325 Q HA -0.221 4.119 4.340 0.000 0.000 0.201 325 Q C 2.293 178.241 176.000 -0.087 0.000 0.972 325 Q CA 1.435 57.186 55.803 -0.087 0.000 0.847 325 Q CB -0.171 28.568 28.738 0.002 0.000 0.903 325 Q HN 0.420 nan 8.270 nan 0.000 0.433 326 R N 0.185 120.668 120.500 -0.029 0.000 2.073 326 R HA -0.127 4.213 4.340 0.000 0.000 0.234 326 R C 2.034 178.276 176.300 -0.097 0.000 1.134 326 R CA 1.833 57.936 56.100 0.004 0.000 0.952 326 R CB -0.234 30.137 30.300 0.119 0.000 0.850 326 R HN 0.141 nan 8.270 nan 0.000 0.433 327 T N 0.459 114.969 114.554 -0.073 0.000 2.699 327 T HA -0.208 4.142 4.350 0.000 0.000 0.268 327 T C 1.887 176.516 174.700 -0.118 0.000 1.036 327 T CA 1.914 63.965 62.100 -0.081 0.000 1.147 327 T CB -0.345 68.470 68.868 -0.088 0.000 0.862 327 T HN 0.560 nan 8.240 nan 0.000 0.446 328 S N 1.186 116.797 115.700 -0.148 0.000 2.383 328 S HA -0.028 4.442 4.470 0.000 0.000 0.227 328 S C 2.098 176.606 174.600 -0.154 0.000 1.026 328 S CA 0.786 58.893 58.200 -0.154 0.000 0.981 328 S CB -0.748 62.336 63.200 -0.194 0.000 0.818 328 S HN 0.516 nan 8.310 nan 0.000 0.472 329 I N 1.796 122.229 120.570 -0.228 0.000 2.179 329 I HA -0.166 4.004 4.170 0.000 0.000 0.242 329 I C 3.040 179.104 176.117 -0.089 0.000 1.088 329 I CA 1.713 62.877 61.300 -0.226 0.000 1.357 329 I CB -0.373 37.404 38.000 -0.371 0.000 1.051 329 I HN 0.329 nan 8.210 nan 0.000 0.409 330 R N 1.186 121.505 120.500 -0.302 0.000 2.083 330 R HA -0.247 4.093 4.340 0.000 0.000 0.237 330 R C 2.236 178.657 176.300 0.202 0.000 1.137 330 R CA 1.956 58.070 56.100 0.024 0.000 0.951 330 R CB -0.287 30.018 30.300 0.009 0.000 0.851 330 R HN 0.336 nan 8.270 nan 0.000 0.434 331 E N -0.860 119.379 120.200 0.066 0.000 2.153 331 E HA -0.253 4.097 4.350 0.000 0.000 0.194 331 E C 1.634 178.270 176.600 0.061 0.000 0.988 331 E CA 1.263 57.698 56.400 0.059 0.000 0.811 331 E CB -0.166 29.527 29.700 -0.012 0.000 0.746 331 E HN 0.489 nan 8.360 nan 0.000 0.466 332 Y N -0.442 119.790 120.300 -0.113 0.000 2.242 332 Y HA -0.205 4.345 4.550 0.000 0.000 0.291 332 Y C 1.456 177.178 175.900 -0.296 0.000 1.137 332 Y CA 1.671 59.616 58.100 -0.258 0.000 1.181 332 Y CB -0.169 38.015 38.460 -0.460 0.000 0.989 332 Y HN 0.018 nan 8.280 nan 0.000 0.527 333 F N -2.469 117.464 119.950 -0.029 0.000 2.317 333 F HA 0.010 4.537 4.527 0.000 0.000 0.293 333 F C 1.248 176.852 175.800 -0.327 0.000 1.085 333 F CA 0.997 58.872 58.000 -0.209 0.000 1.390 333 F CB -0.491 38.460 39.000 -0.082 0.000 1.077 333 F HN -0.055 nan 8.300 nan 0.000 0.517 334 Y N -0.578 119.811 120.300 0.148 0.000 2.430 334 Y HA 0.463 5.013 4.550 0.001 0.000 0.248 334 Y C 1.439 177.359 175.900 0.032 0.000 1.108 334 Y CA 0.049 58.203 58.100 0.089 0.000 1.264 334 Y CB 0.030 38.553 38.460 0.105 0.000 1.172 334 Y HN 0.070 nan 8.280 nan 0.000 0.520 335 G N 0.708 109.588 108.800 0.133 0.000 2.632 335 G HA2 -0.196 3.764 3.960 0.000 0.000 0.224 335 G HA3 -0.196 3.764 3.960 0.000 0.000 0.224 335 G C 0.086 175.025 174.900 0.066 0.000 1.341 335 G CA -0.260 44.878 45.100 0.064 0.000 0.880 335 G HN 0.542 nan 8.290 nan 0.000 0.566 336 S N -1.416 114.303 115.700 0.031 0.000 2.713 336 S HA 0.722 5.192 4.470 0.000 0.000 0.296 336 S C 1.683 176.292 174.600 0.015 0.000 1.114 336 S CA 0.090 58.297 58.200 0.012 0.000 0.997 336 S CB 1.181 64.369 63.200 -0.019 0.000 1.249 336 S HN 1.058 nan 8.310 nan 0.000 0.534 337 L N 1.234 122.456 121.223 -0.002 0.000 2.012 337 L HA -0.093 4.247 4.340 0.000 0.000 0.210 337 L C 1.550 178.418 176.870 -0.004 0.000 1.073 337 L CA 1.925 56.764 54.840 -0.001 0.000 0.748 337 L CB -0.632 41.419 42.059 -0.013 0.000 0.891 337 L HN 0.835 nan 8.230 nan 0.000 0.431 338 D N -3.086 117.302 120.400 -0.019 0.000 2.395 338 D HA 0.006 4.646 4.640 0.000 0.000 0.226 338 D C 1.094 177.385 176.300 -0.015 0.000 1.146 338 D CA 0.293 54.278 54.000 -0.024 0.000 0.830 338 D CB 0.147 40.918 40.800 -0.049 0.000 0.958 338 D HN 0.154 nan 8.370 nan 0.000 0.501 339 T N -0.653 113.901 114.554 -0.001 0.000 3.125 339 T HA 0.369 4.719 4.350 0.000 0.000 0.252 339 T C 0.815 175.526 174.700 0.019 0.000 0.981 339 T CA 0.515 62.618 62.100 0.006 0.000 1.069 339 T CB -0.009 68.864 68.868 0.008 0.000 1.091 339 T HN 0.381 nan 8.240 nan 0.000 0.460 340 A N 2.080 124.924 122.820 0.039 0.000 1.833 340 A HA -0.131 4.189 4.320 0.000 0.000 0.244 340 A C 0.085 177.704 177.584 0.057 0.000 1.289 340 A CA 0.337 52.413 52.037 0.065 0.000 0.735 340 A CB -2.103 16.929 19.000 0.054 0.000 1.194 340 A HN 0.553 nan 8.150 nan 0.000 0.272 341 L N 1.076 122.336 121.223 0.062 0.000 2.399 341 L HA 0.567 4.907 4.340 0.000 0.000 0.266 341 L C 1.081 177.960 176.870 0.015 0.000 1.114 341 L CA -0.148 54.700 54.840 0.013 0.000 0.804 341 L CB 1.852 43.888 42.059 -0.038 0.000 1.146 341 L HN 0.624 nan 8.230 nan 0.000 0.451 342 S N 3.174 118.864 115.700 -0.017 0.000 2.426 342 S HA 0.419 4.889 4.470 0.000 0.000 0.236 342 S C -2.008 172.563 174.600 -0.047 0.000 1.368 342 S CA -1.368 56.826 58.200 -0.010 0.000 1.154 342 S CB 0.268 63.486 63.200 0.031 0.000 1.037 342 S HN 0.367 nan 8.310 nan 0.000 0.481 343 P HA 0.251 nan 4.420 nan 0.000 0.277 343 P C -1.310 176.026 177.300 0.061 0.000 1.276 343 P CA -0.445 62.604 63.100 -0.085 0.000 0.788 343 P CB 0.472 32.030 31.700 -0.236 0.000 1.114 344 Y N -0.494 119.779 120.300 -0.045 0.000 2.376 344 Y HA 0.556 5.106 4.550 0.001 0.000 0.340 344 Y C -0.859 175.037 175.900 -0.006 0.000 0.965 344 Y CA -1.099 56.991 58.100 -0.017 0.000 1.078 344 Y CB 1.534 39.992 38.460 -0.004 0.000 1.193 344 Y HN 0.520 nan 8.280 nan 0.000 0.452 345 A N 7.436 129.943 122.820 -0.520 0.000 2.276 345 A HA 0.688 5.008 4.320 0.000 0.000 0.316 345 A C -1.382 175.816 177.584 -0.644 0.000 1.229 345 A CA -0.610 51.175 52.037 -0.419 0.000 0.851 345 A CB 0.233 19.097 19.000 -0.227 0.000 1.165 345 A HN 0.798 nan 8.150 nan 0.000 0.513 346 I N 2.185 122.536 120.570 -0.365 0.000 2.498 346 I HA 0.605 4.775 4.170 0.000 0.000 0.290 346 I C 0.564 176.619 176.117 -0.104 0.000 1.032 346 I CA -0.465 60.685 61.300 -0.251 0.000 1.073 346 I CB 1.863 39.801 38.000 -0.103 0.000 1.251 346 I HN 0.699 nan 8.210 nan 0.000 0.426 347 G N 6.208 114.965 108.800 -0.071 0.000 2.370 347 G HA2 0.529 4.489 3.960 0.000 0.000 0.272 347 G HA3 0.529 4.489 3.960 0.000 0.000 0.272 347 G C -1.211 173.691 174.900 0.002 0.000 1.208 347 G CA -0.187 44.897 45.100 -0.027 0.000 0.856 347 G HN 0.448 nan 8.290 nan 0.000 0.500 348 V N 2.834 122.760 119.914 0.019 0.000 2.932 348 V HA 0.258 4.378 4.120 0.000 0.000 0.307 348 V C -0.804 175.330 176.094 0.067 0.000 1.147 348 V CA -0.994 61.329 62.300 0.038 0.000 0.951 348 V CB 2.327 34.171 31.823 0.035 0.000 1.031 348 V HN 0.810 nan 8.190 nan 0.000 0.426 349 D N 2.200 122.642 120.400 0.070 0.000 2.371 349 D HA 0.102 4.742 4.640 0.000 0.000 0.242 349 D C 0.335 176.752 176.300 0.194 0.000 1.218 349 D CA -0.106 53.956 54.000 0.104 0.000 0.945 349 D CB 0.992 41.828 40.800 0.061 0.000 1.137 349 D HN 0.501 nan 8.370 nan 0.000 0.464 350 Y N 0.620 120.910 120.300 -0.018 0.000 2.224 350 Y HA -0.135 4.414 4.550 -0.000 0.000 0.289 350 Y C 2.229 178.114 175.900 -0.024 0.000 1.146 350 Y CA 1.141 59.227 58.100 -0.023 0.000 1.182 350 Y CB -0.213 38.232 38.460 -0.026 0.000 0.983 350 Y HN 0.410 nan 8.280 nan 0.000 0.524 351 E N -0.395 119.891 120.200 0.144 0.000 2.347 351 E HA -0.110 4.240 4.350 0.000 0.000 0.196 351 E C 1.248 177.870 176.600 0.037 0.000 1.008 351 E CA 0.946 57.385 56.400 0.065 0.000 0.852 351 E CB -0.196 29.534 29.700 0.049 0.000 0.783 351 E HN 0.344 nan 8.360 nan 0.000 0.505 352 D N -0.398 120.029 120.400 0.045 0.000 2.378 352 D HA 0.010 4.650 4.640 0.000 0.000 0.227 352 D C -0.387 175.923 176.300 0.016 0.000 1.012 352 D CA 0.482 54.500 54.000 0.031 0.000 0.905 352 D CB 0.204 41.026 40.800 0.037 0.000 0.895 352 D HN 0.067 nan 8.370 nan 0.000 0.532 353 L N -0.259 120.964 121.223 0.000 0.000 2.381 353 L HA 0.393 4.733 4.340 0.000 0.000 0.268 353 L C -0.365 176.477 176.870 -0.047 0.000 0.997 353 L CA -0.319 54.508 54.840 -0.022 0.000 0.818 353 L CB 2.452 44.485 42.059 -0.044 0.000 1.310 353 L HN -0.346 nan 8.230 nan 0.000 0.416 354 T N 4.318 118.851 114.554 -0.035 0.000 2.847 354 T HA 0.725 5.075 4.350 0.000 0.000 0.291 354 T C -0.498 174.164 174.700 -0.064 0.000 0.998 354 T CA -0.195 61.858 62.100 -0.078 0.000 0.967 354 T CB 0.670 69.526 68.868 -0.019 0.000 0.954 354 T HN 0.247 nan 8.240 nan 0.000 0.441 355 I N 2.453 122.914 120.570 -0.182 0.000 2.498 355 I HA 0.628 4.798 4.170 0.000 0.000 0.290 355 I C -1.039 174.957 176.117 -0.201 0.000 1.032 355 I CA -0.837 60.413 61.300 -0.083 0.000 1.073 355 I CB 1.904 39.868 38.000 -0.060 0.000 1.251 355 I HN 0.544 nan 8.210 nan 0.000 0.426 356 W N 4.441 125.743 121.300 0.004 0.000 2.762 356 W HA 0.737 5.397 4.660 0.000 0.000 0.355 356 W C -0.632 175.905 176.519 0.029 0.000 1.124 356 W CA -0.726 56.631 57.345 0.020 0.000 1.141 356 W CB 1.102 30.567 29.460 0.010 0.000 1.432 356 W HN 0.301 nan 8.180 nan 0.000 0.586 357 K N 0.450 121.038 120.400 0.313 0.000 2.523 357 K HA 0.630 4.950 4.320 0.000 0.000 0.257 357 K C -3.052 173.666 176.600 0.197 0.000 0.932 357 K CA -1.895 54.505 56.287 0.189 0.000 0.812 357 K CB 2.339 34.900 32.500 0.102 0.000 1.326 357 K HN -0.036 nan 8.250 nan 0.000 0.433 358 P HA 0.034 nan 4.420 nan 0.000 0.271 358 P C -0.752 176.609 177.300 0.101 0.000 1.244 358 P CA -0.410 62.737 63.100 0.078 0.000 0.793 358 P CB 0.545 32.223 31.700 -0.036 0.000 0.984 359 S N 1.281 117.055 115.700 0.123 0.000 2.528 359 S HA 0.232 4.702 4.470 0.000 0.000 0.277 359 S C 0.304 174.912 174.600 0.014 0.000 1.297 359 S CA -0.225 58.039 58.200 0.105 0.000 1.052 359 S CB -0.287 63.018 63.200 0.175 0.000 0.917 359 S HN 0.376 nan 8.310 nan 0.000 0.492 360 N N 0.635 119.305 118.700 -0.050 0.000 2.593 360 N HA 0.396 5.136 4.740 0.000 0.000 0.304 360 N C 1.375 176.896 175.510 0.019 0.000 1.296 360 N CA -0.745 52.287 53.050 -0.030 0.000 0.950 360 N CB 0.035 38.435 38.487 -0.145 0.000 1.127 360 N HN 0.335 nan 8.380 nan 0.000 0.587 361 V N -2.320 117.652 119.914 0.097 0.000 2.672 361 V HA 0.178 4.298 4.120 0.000 0.000 0.242 361 V C 1.286 177.453 176.094 0.122 0.000 1.059 361 V CA 0.851 63.215 62.300 0.107 0.000 1.081 361 V CB -1.015 30.887 31.823 0.131 0.000 0.752 361 V HN 0.654 nan 8.190 nan 0.000 0.472 362 F N 0.475 120.412 119.950 -0.022 0.000 2.731 362 F HA 0.467 4.994 4.527 0.000 0.000 0.304 362 F C 1.143 176.914 175.800 -0.047 0.000 1.133 362 F CA 0.298 58.280 58.000 -0.030 0.000 1.380 362 F CB -0.301 38.683 39.000 -0.026 0.000 1.079 362 F HN 0.090 nan 8.300 nan 0.000 0.550 363 D N -0.330 119.804 120.400 -0.444 0.000 2.753 363 D HA 0.073 4.713 4.640 0.000 0.000 0.291 363 D C 1.292 177.422 176.300 -0.283 0.000 1.075 363 D CA 0.477 54.202 54.000 -0.458 0.000 0.946 363 D CB 0.078 40.546 40.800 -0.555 0.000 1.376 363 D HN 0.148 nan 8.370 nan 0.000 0.482 364 N N 0.572 119.151 118.700 -0.202 0.000 2.184 364 N HA 0.087 4.827 4.740 0.000 0.000 0.206 364 N C 0.057 175.540 175.510 -0.046 0.000 1.151 364 N CA 0.225 53.193 53.050 -0.138 0.000 0.878 364 N CB 1.827 40.253 38.487 -0.101 0.000 1.014 364 N HN 0.203 nan 8.380 nan 0.000 0.512 365 E N -0.834 119.348 120.200 -0.030 0.000 4.609 365 E HA -0.292 4.059 4.350 0.000 0.000 0.178 365 E C 1.091 177.708 176.600 0.029 0.000 1.274 365 E CA 2.184 58.589 56.400 0.008 0.000 2.344 365 E CB -1.141 28.562 29.700 0.005 0.000 1.833 365 E HN 0.052 nan 8.360 nan 0.000 0.404 366 V N -0.658 119.276 119.914 0.032 0.000 2.261 366 V HA 0.199 4.319 4.120 0.000 0.000 0.235 366 V C 1.247 177.375 176.094 0.057 0.000 1.044 366 V CA 1.265 63.593 62.300 0.045 0.000 1.007 366 V CB -0.331 31.521 31.823 0.048 0.000 0.647 366 V HN 0.759 nan 8.190 nan 0.000 0.462 367 G N 0.781 109.621 108.800 0.067 0.000 2.698 367 G HA2 -0.084 3.876 3.960 0.000 0.000 0.360 367 G HA3 -0.084 3.876 3.960 0.000 0.000 0.360 367 G C -0.554 174.398 174.900 0.087 0.000 1.005 367 G CA -0.528 44.621 45.100 0.081 0.000 1.293 367 G HN 0.437 nan 8.290 nan 0.000 0.590 368 R N -0.537 120.017 120.500 0.091 0.000 2.923 368 R HA 0.712 5.052 4.340 0.000 0.000 0.252 368 R C 0.655 176.994 176.300 0.065 0.000 1.130 368 R CA -0.896 55.247 56.100 0.071 0.000 1.043 368 R CB 1.420 31.755 30.300 0.058 0.000 1.205 368 R HN 0.272 nan 8.270 nan 0.000 0.495 369 V N 2.629 122.567 119.914 0.039 0.000 2.266 369 V HA 0.096 4.216 4.120 0.000 0.000 0.240 369 V C -0.249 175.836 176.094 -0.016 0.000 1.225 369 V CA 0.500 62.812 62.300 0.020 0.000 1.237 369 V CB -1.661 30.166 31.823 0.007 0.000 1.343 369 V HN 0.763 nan 8.190 nan 0.000 0.496 370 E N 3.911 124.104 120.200 -0.011 0.000 2.401 370 E HA 0.727 5.077 4.350 0.000 0.000 0.280 370 E C -1.700 174.879 176.600 -0.035 0.000 1.039 370 E CA -1.283 55.070 56.400 -0.078 0.000 0.814 370 E CB 1.848 31.465 29.700 -0.138 0.000 1.275 370 E HN 0.204 nan 8.360 nan 0.000 0.448 371 L N -0.878 120.287 121.223 -0.097 0.000 2.401 371 L HA 0.687 5.027 4.340 0.000 0.000 0.266 371 L C -1.068 175.906 176.870 0.174 0.000 0.991 371 L CA -0.822 54.074 54.840 0.094 0.000 0.818 371 L CB 0.847 42.965 42.059 0.098 0.000 1.321 371 L HN 0.508 nan 8.230 nan 0.000 0.413 372 F N 1.994 122.102 119.950 0.263 0.000 2.399 372 F HA 0.668 5.195 4.527 0.001 0.000 0.334 372 F C -1.926 173.964 175.800 0.150 0.000 1.097 372 F CA -1.982 56.145 58.000 0.212 0.000 1.076 372 F CB 1.250 40.291 39.000 0.068 0.000 1.162 372 F HN 0.350 nan 8.300 nan 0.000 0.495 373 P HA 0.090 nan 4.420 nan 0.000 0.268 373 P C -0.881 176.329 177.300 -0.151 0.000 1.204 373 P CA 0.031 62.910 63.100 -0.369 0.000 0.768 373 P CB 1.101 32.503 31.700 -0.496 0.000 0.842 374 V N 3.406 123.202 119.914 -0.197 0.000 2.417 374 V HA 0.279 4.399 4.120 0.000 0.000 0.291 374 V C 0.870 176.878 176.094 -0.142 0.000 1.024 374 V CA -0.513 61.717 62.300 -0.115 0.000 0.861 374 V CB 1.259 33.036 31.823 -0.076 0.000 0.985 374 V HN 0.648 nan 8.190 nan 0.000 0.436 375 T N 2.683 117.171 114.554 -0.109 0.000 2.897 375 T HA 0.620 4.970 4.350 0.000 0.000 0.294 375 T C -0.135 174.488 174.700 -0.129 0.000 1.004 375 T CA -0.421 61.615 62.100 -0.108 0.000 1.106 375 T CB 0.590 69.418 68.868 -0.066 0.000 0.949 375 T HN 0.369 nan 8.240 nan 0.000 0.520 376 I N 3.323 123.778 120.570 -0.192 0.000 2.421 376 I HA 0.223 4.393 4.170 0.000 0.000 0.291 376 I C 0.461 176.486 176.117 -0.154 0.000 1.089 376 I CA 0.086 61.206 61.300 -0.301 0.000 1.354 376 I CB 0.013 37.547 38.000 -0.777 0.000 1.413 376 I HN 0.717 nan 8.210 nan 0.000 0.513 377 T N 7.532 122.025 114.554 -0.101 0.000 2.893 377 T HA 0.293 4.643 4.350 0.000 0.000 0.293 377 T C -1.685 172.997 174.700 -0.031 0.000 1.027 377 T CA -1.155 60.927 62.100 -0.029 0.000 0.988 377 T CB 2.171 71.024 68.868 -0.025 0.000 1.043 377 T HN 0.305 nan 8.240 nan 0.000 0.461 378 P HA -0.110 nan 4.420 nan 0.000 0.217 378 P C 1.421 178.706 177.300 -0.025 0.000 1.148 378 P CA 1.003 64.095 63.100 -0.014 0.000 0.828 378 P CB 0.272 31.975 31.700 0.005 0.000 0.783 379 S N -1.595 114.098 115.700 -0.011 0.000 2.527 379 S HA 0.044 4.515 4.470 0.000 0.000 0.222 379 S C 1.759 176.356 174.600 -0.006 0.000 0.985 379 S CA 0.277 58.476 58.200 -0.002 0.000 0.921 379 S CB -0.733 62.470 63.200 0.005 0.000 0.772 379 S HN 0.160 nan 8.310 nan 0.000 0.529 380 N N 0.182 118.868 118.700 -0.024 0.000 2.387 380 N HA 0.201 4.941 4.740 0.000 0.000 0.176 380 N C 1.104 176.598 175.510 -0.027 0.000 1.022 380 N CA 0.786 53.819 53.050 -0.028 0.000 0.883 380 N CB 0.206 38.663 38.487 -0.049 0.000 1.019 380 N HN 0.346 nan 8.380 nan 0.000 0.435 381 L N 0.387 121.580 121.223 -0.050 0.000 2.781 381 L HA 0.211 4.551 4.340 0.000 0.000 0.245 381 L C 0.250 177.074 176.870 -0.077 0.000 1.118 381 L CA 0.032 54.840 54.840 -0.053 0.000 0.918 381 L CB 0.507 42.514 42.059 -0.086 0.000 1.246 381 L HN -0.029 nan 8.230 nan 0.000 0.526 382 Q N 1.402 121.123 119.800 -0.131 0.000 2.255 382 Q HA 0.004 4.344 4.340 0.000 0.000 0.280 382 Q C -0.025 175.788 176.000 -0.312 0.000 1.068 382 Q CA 0.341 55.940 55.803 -0.340 0.000 0.911 382 Q CB 0.225 28.710 28.738 -0.421 0.000 1.157 382 Q HN 0.291 nan 8.270 nan 0.000 0.380 383 H N -1.675 117.411 119.070 0.027 0.000 3.211 383 H HA -0.195 4.361 4.556 0.000 0.000 0.240 383 H C -0.205 175.181 175.328 0.097 0.000 1.148 383 H CA 0.788 56.863 56.048 0.045 0.000 1.160 383 H CB -1.749 28.023 29.762 0.017 0.000 1.232 383 H HN 0.658 nan 8.280 nan 0.000 0.321 384 A N 1.808 124.710 122.820 0.137 0.000 2.363 384 A HA 0.489 4.810 4.320 0.000 0.000 0.270 384 A C 0.792 178.488 177.584 0.187 0.000 1.121 384 A CA -0.421 51.708 52.037 0.153 0.000 0.800 384 A CB 0.520 19.578 19.000 0.098 0.000 1.052 384 A HN 0.210 nan 8.150 nan 0.000 0.493 385 I N 3.136 123.846 120.570 0.233 0.000 2.416 385 I HA 0.198 4.368 4.170 0.000 0.000 0.288 385 I C 0.143 176.424 176.117 0.274 0.000 1.051 385 I CA -0.019 61.444 61.300 0.272 0.000 1.375 385 I CB 0.310 38.450 38.000 0.234 0.000 1.407 385 I HN 0.429 nan 8.210 nan 0.000 0.516 386 I N 5.538 126.280 120.570 0.287 0.000 2.389 386 I HA 0.357 4.527 4.170 0.000 0.000 0.288 386 I C 0.395 176.638 176.117 0.210 0.000 0.999 386 I CA -0.744 60.688 61.300 0.221 0.000 1.129 386 I CB 1.850 39.934 38.000 0.141 0.000 1.288 386 I HN 0.588 nan 8.210 nan 0.000 0.444 387 A N 8.171 131.073 122.820 0.135 0.000 2.409 387 A HA 0.579 4.899 4.320 0.000 0.000 0.267 387 A C -0.269 177.216 177.584 -0.164 0.000 1.127 387 A CA -0.119 51.806 52.037 -0.187 0.000 0.795 387 A CB -0.023 18.904 19.000 -0.122 0.000 1.061 387 A HN 0.674 nan 8.150 nan 0.000 0.502 388 I N 3.180 123.589 120.570 -0.268 0.000 2.339 388 I HA 0.299 4.469 4.170 0.000 0.000 0.290 388 I C 1.096 177.100 176.117 -0.188 0.000 0.994 388 I CA -0.373 60.830 61.300 -0.162 0.000 1.191 388 I CB 1.805 39.726 38.000 -0.132 0.000 1.343 388 I HN 0.836 nan 8.210 nan 0.000 0.458 389 T N 1.282 115.771 114.554 -0.108 0.000 2.891 389 T HA 0.363 4.713 4.350 0.000 0.000 0.294 389 T C 0.500 175.147 174.700 -0.089 0.000 1.065 389 T CA 0.057 62.130 62.100 -0.044 0.000 0.936 389 T CB 0.747 69.619 68.868 0.006 0.000 1.415 389 T HN 0.358 nan 8.240 nan 0.000 0.572 390 F N 0.428 120.351 119.950 -0.045 0.000 2.717 390 F HA 0.548 5.075 4.527 0.000 0.000 0.297 390 F C 1.782 177.569 175.800 -0.021 0.000 1.113 390 F CA -0.230 57.752 58.000 -0.030 0.000 1.319 390 F CB -0.177 38.803 39.000 -0.032 0.000 1.097 390 F HN 0.730 nan 8.300 nan 0.000 0.595 391 A N 0.661 123.560 122.820 0.131 0.000 2.466 391 A HA 0.186 4.506 4.320 0.000 0.000 0.238 391 A C 0.500 178.118 177.584 0.057 0.000 1.074 391 A CA -0.451 51.629 52.037 0.071 0.000 0.774 391 A CB 0.105 19.119 19.000 0.023 0.000 1.015 391 A HN 0.101 nan 8.150 nan 0.000 0.498 392 E N 0.406 120.638 120.200 0.053 0.000 2.425 392 E HA 0.021 4.371 4.350 0.000 0.000 0.258 392 E C 1.049 177.692 176.600 0.073 0.000 1.151 392 E CA -0.159 56.273 56.400 0.053 0.000 0.958 392 E CB 0.254 29.983 29.700 0.048 0.000 0.968 392 E HN 0.606 nan 8.360 nan 0.000 0.451 393 R N 0.857 121.397 120.500 0.067 0.000 2.237 393 R HA -0.040 4.300 4.340 0.000 0.000 0.219 393 R C 1.434 177.797 176.300 0.105 0.000 1.080 393 R CA 0.734 56.884 56.100 0.085 0.000 0.995 393 R CB 0.163 30.494 30.300 0.052 0.000 0.875 393 R HN 0.272 nan 8.270 nan 0.000 0.462 394 R N -0.132 120.420 120.500 0.088 0.000 2.362 394 R HA 0.243 4.583 4.340 0.000 0.000 0.227 394 R C 0.344 176.706 176.300 0.103 0.000 0.905 394 R CA -0.068 56.085 56.100 0.087 0.000 1.067 394 R CB 0.770 31.104 30.300 0.055 0.000 1.078 394 R HN -0.020 nan 8.270 nan 0.000 0.516 395 A N 2.596 125.479 122.820 0.105 0.000 2.386 395 A HA 0.082 4.402 4.320 0.000 0.000 0.248 395 A C 0.193 177.832 177.584 0.091 0.000 1.082 395 A CA -0.457 51.620 52.037 0.068 0.000 0.789 395 A CB 0.268 19.283 19.000 0.026 0.000 1.025 395 A HN 0.254 nan 8.150 nan 0.000 0.490 396 D N 0.565 120.977 120.400 0.019 0.000 2.383 396 D HA 0.040 4.680 4.640 0.000 0.000 0.248 396 D C 1.086 177.239 176.300 -0.245 0.000 1.170 396 D CA 0.101 54.092 54.000 -0.015 0.000 0.977 396 D CB 0.477 41.271 40.800 -0.009 0.000 1.120 396 D HN 0.679 nan 8.370 nan 0.000 0.481 397 Q N 0.224 119.781 119.800 -0.404 0.000 2.226 397 Q HA -0.159 4.182 4.340 0.000 0.000 0.204 397 Q C 1.765 177.520 176.000 -0.409 0.000 0.975 397 Q CA 1.768 57.148 55.803 -0.704 0.000 0.866 397 Q CB -0.386 27.969 28.738 -0.639 0.000 0.915 397 Q HN 0.496 nan 8.270 nan 0.000 0.440 398 A N 0.851 123.526 122.820 -0.242 0.000 1.969 398 A HA -0.122 4.198 4.320 0.000 0.000 0.218 398 A C 2.134 179.629 177.584 -0.150 0.000 1.169 398 A CA 1.688 53.626 52.037 -0.164 0.000 0.635 398 A CB -0.718 18.217 19.000 -0.108 0.000 0.810 398 A HN 0.509 nan 8.150 nan 0.000 0.445 399 T N -0.828 113.633 114.554 -0.156 0.000 2.937 399 T HA -0.004 4.346 4.350 0.000 0.000 0.260 399 T C 1.830 176.449 174.700 -0.136 0.000 1.051 399 T CA 1.239 63.270 62.100 -0.115 0.000 1.141 399 T CB -0.176 68.646 68.868 -0.077 0.000 0.879 399 T HN 0.162 nan 8.240 nan 0.000 0.459 400 V N 1.335 121.111 119.914 -0.231 0.000 2.379 400 V HA -0.012 4.108 4.120 0.000 0.000 0.245 400 V C 2.299 178.268 176.094 -0.209 0.000 1.044 400 V CA 0.943 63.090 62.300 -0.254 0.000 1.036 400 V CB -0.549 30.975 31.823 -0.499 0.000 0.664 400 V HN 0.342 nan 8.190 nan 0.000 0.453 401 I N -0.390 120.038 120.570 -0.237 0.000 2.700 401 I HA -0.152 4.018 4.170 0.000 0.000 0.261 401 I C 1.712 177.776 176.117 -0.089 0.000 1.219 401 I CA 1.727 62.934 61.300 -0.155 0.000 1.463 401 I CB -0.143 37.763 38.000 -0.157 0.000 1.092 401 I HN 0.162 nan 8.210 nan 0.000 0.452 402 K N -0.172 120.176 120.400 -0.088 0.000 2.676 402 K HA 0.234 4.554 4.320 0.000 0.000 0.205 402 K C -0.050 176.521 176.600 -0.048 0.000 1.084 402 K CA 0.021 56.273 56.287 -0.058 0.000 1.057 402 K CB 0.486 32.951 32.500 -0.058 0.000 0.791 402 K HN 0.283 nan 8.250 nan 0.000 0.484 403 S N 1.041 116.718 115.700 -0.039 0.000 2.472 403 S HA 0.511 4.982 4.470 0.000 0.000 0.303 403 S C -2.520 172.096 174.600 0.026 0.000 1.099 403 S CA -1.568 56.627 58.200 -0.008 0.000 1.077 403 S CB 1.554 64.765 63.200 0.018 0.000 1.031 403 S HN -0.074 nan 8.310 nan 0.000 0.487 404 P HA 0.159 nan 4.420 nan 0.000 0.266 404 P C -0.711 176.715 177.300 0.210 0.000 1.193 404 P CA -0.263 62.871 63.100 0.057 0.000 0.770 404 P CB 0.208 31.851 31.700 -0.095 0.000 0.836 405 I N 2.606 123.243 120.570 0.111 0.000 2.371 405 I HA 0.017 4.187 4.170 0.000 0.000 0.290 405 I C 1.749 177.911 176.117 0.075 0.000 1.028 405 I CA 0.040 61.345 61.300 0.009 0.000 1.345 405 I CB 0.761 38.668 38.000 -0.154 0.000 1.407 405 I HN 0.305 nan 8.210 nan 0.000 0.501 406 L N 6.201 127.376 121.223 -0.081 0.000 2.102 406 L HA 0.471 4.811 4.340 0.000 0.000 0.202 406 L C 0.871 177.675 176.870 -0.110 0.000 1.076 406 L CA 1.394 56.128 54.840 -0.176 0.000 0.761 406 L CB -0.285 41.447 42.059 -0.546 0.000 0.921 406 L HN 0.727 nan 8.230 nan 0.000 0.444 407 G N -2.839 105.827 108.800 -0.223 0.000 2.321 407 G HA2 0.286 4.246 3.960 0.000 0.000 0.296 407 G HA3 0.286 4.246 3.960 0.000 0.000 0.296 407 G C -1.730 172.948 174.900 -0.371 0.000 1.287 407 G CA -0.667 44.358 45.100 -0.124 0.000 0.846 407 G HN -0.083 nan 8.290 nan 0.000 0.508 408 F N 0.188 120.172 119.950 0.057 0.000 2.579 408 F HA 0.854 5.381 4.527 0.000 0.000 0.324 408 F C 0.596 176.580 175.800 0.308 0.000 1.058 408 F CA -0.268 57.749 58.000 0.029 0.000 0.944 408 F CB 2.676 41.504 39.000 -0.288 0.000 1.245 408 F HN 0.780 nan 8.300 nan 0.000 0.477 409 A N 2.254 125.387 122.820 0.522 0.000 2.422 409 A HA 0.733 5.053 4.320 0.000 0.000 0.302 409 A C -1.872 175.957 177.584 0.409 0.000 1.041 409 A CA -0.645 51.700 52.037 0.512 0.000 0.708 409 A CB 1.504 20.667 19.000 0.271 0.000 1.257 409 A HN 0.851 nan 8.150 nan 0.000 0.414 410 L N 2.766 124.117 121.223 0.213 0.000 2.307 410 L HA 0.672 5.012 4.340 0.000 0.000 0.282 410 L C -0.946 175.941 176.870 0.029 0.000 1.051 410 L CA -0.671 54.207 54.840 0.063 0.000 0.804 410 L CB 0.861 42.807 42.059 -0.189 0.000 1.197 410 L HN 0.633 nan 8.230 nan 0.000 0.431 411 I N 4.681 125.281 120.570 0.051 0.000 2.312 411 I HA 0.176 4.346 4.170 0.000 0.000 0.290 411 I C 0.755 176.858 176.117 -0.022 0.000 1.008 411 I CA -0.248 61.054 61.300 0.004 0.000 1.226 411 I CB 1.623 39.617 38.000 -0.011 0.000 1.371 411 I HN 0.742 nan 8.210 nan 0.000 0.468 412 T N 3.779 118.317 114.554 -0.027 0.000 2.755 412 T HA -0.038 4.312 4.350 0.000 0.000 0.251 412 T C 0.626 175.271 174.700 -0.092 0.000 1.044 412 T CA 0.870 62.961 62.100 -0.014 0.000 1.154 412 T CB 0.079 68.946 68.868 -0.001 0.000 0.866 412 T HN 0.564 nan 8.240 nan 0.000 0.416 413 E N 0.955 121.115 120.200 -0.066 0.000 2.234 413 E HA 0.440 4.790 4.350 0.000 0.000 0.266 413 E C -1.731 174.848 176.600 -0.035 0.000 0.877 413 E CA -0.381 55.982 56.400 -0.063 0.000 0.758 413 E CB 1.915 31.601 29.700 -0.022 0.000 1.170 413 E HN -0.043 nan 8.360 nan 0.000 0.415 414 V N 5.001 124.892 119.914 -0.038 0.000 2.240 414 V HA 0.137 4.258 4.120 0.000 0.000 0.265 414 V C 0.082 176.221 176.094 0.075 0.000 1.073 414 V CA -0.843 61.479 62.300 0.036 0.000 0.857 414 V CB 0.313 32.134 31.823 -0.004 0.000 1.114 414 V HN 0.521 nan 8.190 nan 0.000 0.469 415 N N 3.382 122.135 118.700 0.087 0.000 2.442 415 N HA 0.092 4.832 4.740 0.000 0.000 0.265 415 N C 1.114 176.643 175.510 0.032 0.000 1.138 415 N CA -0.029 53.045 53.050 0.040 0.000 0.956 415 N CB 1.096 39.583 38.487 0.001 0.000 1.067 415 N HN 0.790 nan 8.380 nan 0.000 0.474 416 E N 2.506 122.712 120.200 0.011 0.000 2.413 416 E HA 0.071 4.421 4.350 0.000 0.000 0.203 416 E C 0.857 177.394 176.600 -0.106 0.000 0.957 416 E CA 0.116 56.509 56.400 -0.012 0.000 0.950 416 E CB 0.129 29.872 29.700 0.072 0.000 0.957 416 E HN 0.423 nan 8.360 nan 0.000 0.497 417 K N 0.849 121.202 120.400 -0.079 0.000 2.097 417 K HA 0.024 4.344 4.320 0.000 0.000 0.205 417 K C 1.036 177.563 176.600 -0.122 0.000 1.050 417 K CA 0.825 57.063 56.287 -0.081 0.000 0.938 417 K CB 0.102 32.571 32.500 -0.051 0.000 0.718 417 K HN -0.001 nan 8.250 nan 0.000 0.442 418 R N 0.411 120.824 120.500 -0.144 0.000 2.553 418 R HA 0.272 4.613 4.340 0.000 0.000 0.263 418 R C -0.126 175.951 176.300 -0.372 0.000 1.066 418 R CA -0.504 55.484 56.100 -0.186 0.000 1.135 418 R CB 0.763 30.988 30.300 -0.125 0.000 1.148 418 R HN -0.063 nan 8.270 nan 0.000 0.558 419 R N 1.244 121.496 120.500 -0.413 0.000 3.956 419 R HA 0.192 4.532 4.340 0.000 0.000 0.237 419 R C -0.508 175.578 176.300 -0.357 0.000 1.552 419 R CA -0.022 55.623 56.100 -0.759 0.000 1.529 419 R CB 0.268 30.294 30.300 -0.456 0.000 1.376 419 R HN 0.228 nan 8.270 nan 0.000 0.733 420 K N 0.999 121.278 120.400 -0.201 0.000 2.443 420 K HA 0.583 4.904 4.320 0.000 0.000 0.251 420 K C -1.054 175.659 176.600 0.187 0.000 0.972 420 K CA -0.762 55.559 56.287 0.055 0.000 0.833 420 K CB 2.326 34.821 32.500 -0.009 0.000 1.317 420 K HN 0.013 nan 8.250 nan 0.000 0.441 421 L N 1.557 122.856 121.223 0.128 0.000 2.445 421 L HA 0.499 4.839 4.340 0.000 0.000 0.262 421 L C -0.901 175.986 176.870 0.027 0.000 0.974 421 L CA -1.057 53.834 54.840 0.085 0.000 0.822 421 L CB 2.050 44.151 42.059 0.069 0.000 1.339 421 L HN 0.359 nan 8.230 nan 0.000 0.409 422 R N 2.603 123.105 120.500 0.004 0.000 2.215 422 R HA 0.497 4.837 4.340 0.000 0.000 0.337 422 R C -1.072 175.212 176.300 -0.026 0.000 1.010 422 R CA -0.536 55.551 56.100 -0.021 0.000 0.871 422 R CB 1.341 31.625 30.300 -0.026 0.000 1.134 422 R HN 0.254 nan 8.270 nan 0.000 0.477 423 V N 4.507 124.403 119.914 -0.029 0.000 2.459 423 V HA 0.327 4.448 4.120 0.000 0.000 0.295 423 V C 0.005 176.074 176.094 -0.041 0.000 1.029 423 V CA -1.055 61.235 62.300 -0.016 0.000 0.874 423 V CB 1.919 33.753 31.823 0.017 0.000 0.985 423 V HN 0.461 nan 8.190 nan 0.000 0.438 424 L N 5.516 126.705 121.223 -0.056 0.000 2.276 424 L HA 0.570 4.910 4.340 0.000 0.000 0.286 424 L C -0.603 176.295 176.870 0.047 0.000 1.061 424 L CA 0.272 55.054 54.840 -0.096 0.000 0.807 424 L CB 0.988 42.883 42.059 -0.274 0.000 1.177 424 L HN 0.501 nan 8.230 nan 0.000 0.429 425 L N 7.647 128.955 121.223 0.142 0.000 2.330 425 L HA 0.628 4.968 4.340 0.000 0.000 0.271 425 L C -1.557 175.509 176.870 0.327 0.000 1.013 425 L CA -1.395 53.612 54.840 0.278 0.000 0.816 425 L CB 1.587 43.786 42.059 0.232 0.000 1.287 425 L HN 0.453 nan 8.230 nan 0.000 0.435 426 P HA -0.015 nan 4.420 nan 0.000 0.222 426 P C -0.012 177.287 177.300 -0.002 0.000 1.153 426 P CA 0.750 63.870 63.100 0.033 0.000 0.798 426 P CB 0.539 32.104 31.700 -0.224 0.000 0.796 427 V N 2.104 122.044 119.914 0.044 0.000 2.417 427 V HA 0.310 4.430 4.120 0.000 0.000 0.291 427 V C -2.440 173.655 176.094 0.002 0.000 1.024 427 V CA -2.267 60.032 62.300 -0.001 0.000 0.861 427 V CB 1.408 33.218 31.823 -0.021 0.000 0.985 427 V HN -0.130 nan 8.190 nan 0.000 0.436 428 P HA 0.390 nan 4.420 nan 0.000 0.264 428 P C 0.350 177.387 177.300 -0.439 0.000 1.229 428 P CA 0.798 63.625 63.100 -0.454 0.000 0.780 428 P CB 0.353 31.821 31.700 -0.386 0.000 0.808 429 G N 2.699 111.223 108.800 -0.459 0.000 2.344 429 G HA2 0.163 4.123 3.960 0.000 0.000 0.282 429 G HA3 0.163 4.123 3.960 0.000 0.000 0.282 429 G C -1.246 173.666 174.900 0.019 0.000 1.281 429 G CA -1.012 43.972 45.100 -0.192 0.000 0.877 429 G HN 0.359 nan 8.290 nan 0.000 0.494 430 R N -0.133 120.380 120.500 0.023 0.000 2.694 430 R HA 0.409 4.749 4.340 0.000 0.000 0.268 430 R C 0.503 176.845 176.300 0.071 0.000 1.061 430 R CA -0.587 55.548 56.100 0.059 0.000 1.133 430 R CB 0.586 30.901 30.300 0.025 0.000 1.020 430 R HN 0.377 nan 8.270 nan 0.000 0.475 431 L N 4.155 125.422 121.223 0.074 0.000 2.500 431 L HA 0.156 4.496 4.340 0.000 0.000 0.272 431 L C -2.010 174.875 176.870 0.025 0.000 1.149 431 L CA -1.460 53.414 54.840 0.056 0.000 0.897 431 L CB 0.389 42.478 42.059 0.050 0.000 1.178 431 L HN 0.474 nan 8.230 nan 0.000 0.473 432 P HA 0.035 nan 4.420 nan 0.000 0.264 432 P C -0.328 176.961 177.300 -0.019 0.000 1.229 432 P CA -0.009 63.075 63.100 -0.027 0.000 0.780 432 P CB 0.162 31.819 31.700 -0.071 0.000 0.808 433 S N 4.399 120.093 115.700 -0.009 0.000 3.455 433 S HA 0.176 4.646 4.470 0.000 0.000 0.288 433 S C 0.229 174.828 174.600 -0.001 0.000 1.231 433 S CA -0.353 57.849 58.200 0.002 0.000 1.031 433 S CB -0.520 62.686 63.200 0.010 0.000 1.570 433 S HN 0.187 nan 8.310 nan 0.000 0.519 434 K N 0.796 121.194 120.400 -0.003 0.000 2.439 434 K HA 0.748 5.068 4.320 0.000 0.000 0.260 434 K C 0.148 176.772 176.600 0.040 0.000 1.032 434 K CA -0.883 55.404 56.287 0.001 0.000 0.882 434 K CB 1.846 34.312 32.500 -0.056 0.000 1.420 434 K HN 0.453 nan 8.250 nan 0.000 0.455 438 L N 5.590 126.892 121.223 0.131 0.000 2.371 438 L HA 0.661 5.001 4.340 0.000 0.000 0.272 438 L C 0.572 177.519 176.870 0.127 0.000 1.124 438 L CA 0.448 55.359 54.840 0.117 0.000 0.816 438 L CB 1.303 43.410 42.059 0.080 0.000 1.129 438 L HN 0.836 nan 8.230 nan 0.000 0.448 439 T N 0.154 114.805 114.554 0.163 0.000 2.910 439 T HA 0.345 4.695 4.350 0.000 0.000 0.279 439 T C 0.613 175.386 174.700 0.122 0.000 0.989 439 T CA -0.364 61.850 62.100 0.190 0.000 0.968 439 T CB 1.381 70.450 68.868 0.335 0.000 1.135 439 T HN 0.602 nan 8.240 nan 0.000 0.562 440 S N -0.277 115.454 115.700 0.051 0.000 2.597 440 S HA 0.244 4.715 4.470 0.000 0.000 0.224 440 S C -0.778 173.685 174.600 -0.228 0.000 0.955 440 S CA -0.445 57.692 58.200 -0.104 0.000 0.933 440 S CB -0.679 62.406 63.200 -0.192 0.000 0.788 440 S HN 0.602 nan 8.310 nan 0.000 0.488 441 Y N 2.176 122.520 120.300 0.073 0.000 2.330 441 Y HA 0.551 5.101 4.550 0.000 0.000 0.336 441 Y C 0.685 176.650 175.900 0.107 0.000 1.036 441 Y CA -0.883 57.260 58.100 0.073 0.000 1.125 441 Y CB 0.752 39.235 38.460 0.038 0.000 1.194 441 Y HN -0.126 nan 8.280 nan 0.000 0.469 442 R N 2.590 123.238 120.500 0.246 0.000 2.670 442 R HA 0.418 4.758 4.340 0.000 0.000 0.289 442 R C -1.908 174.570 176.300 0.298 0.000 0.965 442 R CA -1.276 54.964 56.100 0.235 0.000 0.899 442 R CB 2.236 32.632 30.300 0.160 0.000 1.173 442 R HN 0.756 nan 8.270 nan 0.000 0.456 443 Y N 1.951 122.331 120.300 0.134 0.000 2.330 443 Y HA 0.437 4.987 4.550 0.001 0.000 0.324 443 Y C -1.730 174.186 175.900 0.027 0.000 1.093 443 Y CA -0.806 57.343 58.100 0.082 0.000 1.103 443 Y CB 1.303 39.831 38.460 0.114 0.000 1.183 443 Y HN 0.598 nan 8.280 nan 0.000 0.433 444 L N 6.080 126.937 121.223 -0.609 0.000 2.341 444 L HA 0.578 4.918 4.340 0.000 0.000 0.278 444 L C -0.424 175.961 176.870 -0.809 0.000 1.005 444 L CA -0.381 54.042 54.840 -0.694 0.000 0.818 444 L CB 1.277 42.919 42.059 -0.695 0.000 1.259 444 L HN 0.682 nan 8.230 nan 0.000 0.418 445 E N 0.000 119.829 120.200 -0.619 0.000 2.725 445 E HA 0.000 4.350 4.350 0.000 0.000 0.291 445 E CA 0.000 56.143 56.400 -0.428 0.000 0.976 445 E CB 0.000 29.550 29.700 -0.250 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440