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 2fgh_1_A DATA FIRST_RESID 27 DATA SEQUENCE VEHPEFLKAG KEPGLQIWRV EKFDLVPVPP NLYGDFFTGD AYVILKTVQL DATA SEQUENCE RNGILQYDLH YWLGNECSQD ESGAAAIFTV QLDDYLNGRA VQHREVQGFE DATA SEQUENCE SATFLGYFKS GLKYKKGGVA SGFKHVVPNE VVVQRLLQVK GRRVVRATEV DATA SEQUENCE PVSWESFNNG DcFILDLGNN IYQWcGSKSN RFERLKATQV SKGIRDNERS DATA SEQUENCE GRAQVSVFEE GAEPEAMLQV LGPKPTLPEA TEXXXXXXXX NRKLAKLYKV DATA SEQUENCE SNGAGPMVVS LVADENPFAQ GALRSEDCFI LDHGKDGKIF VWKGKQANME DATA SEQUENCE ERKAALKTAS DFISKMDYPK QTQVSVLPEG GETPLFRQFF KNWRDPDQTE DATA SEQUENCE GLGLAYLSSH IAHVERVPFD AATLHTSTAM AAQHGMDDDG TGQKQIWRVE DATA SEQUENCE GSNKVPVDPA TYGQFYGGDS YIILYNYRHG SRQGQIIYNW QGAQSTQDEV DATA SEQUENCE AASAILTAQL DEELGGTPVQ SRVVQGKEPA HLMSLFGGKP MIVYKGGTSR DATA SEQUENCE EGGQTAPAST RLFQVRASSS GATRAVEIIP KAGALNSNDA FVLKTPSAAY DATA SEQUENCE LWVGAGASEA EKTGAQELLR VLRAQPVQVA EGSEPDSFWE ALGGKATYRT DATA SEQUENCE SPRLKDKKMD AHPPRLFACS NKIGRFVIEE VPGEFMQEDL ATDDVMLLDT DATA SEQUENCE WDQVFVWVGK DSQDEEKTEA LTSAKRYIDT DPAHRDRRTP ITVVKQGFEP DATA SEQUENCE PSFVGWFLGW DDSYWSVDPL DRALAELAA 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.014 176.094 -0.133 0.000 1.182 27 V CA 0.000 62.232 62.300 -0.114 0.000 1.235 27 V CB 0.000 31.721 31.823 -0.169 0.000 1.184 28 E N 1.021 121.130 120.200 -0.153 0.000 4.924 28 E HA -0.414 3.937 4.350 0.002 0.000 0.229 28 E C 0.296 176.647 176.600 -0.416 0.000 0.912 28 E CA 2.043 58.340 56.400 -0.173 0.000 1.857 28 E CB -1.061 28.625 29.700 -0.022 0.000 1.787 28 E HN 1.214 nan 8.360 nan 0.000 0.427 29 H N -1.406 117.363 119.070 -0.502 0.000 6.223 29 H HA 0.012 4.569 4.556 0.002 0.000 0.881 29 H C -2.634 172.427 175.328 -0.446 0.000 1.981 29 H CA 0.015 55.682 56.048 -0.635 0.000 1.408 29 H CB -0.485 28.571 29.762 -1.176 0.000 4.658 29 H HN -0.006 nan 8.280 nan 0.000 0.682 30 P HA -0.136 nan 4.420 nan 0.000 0.218 30 P C 1.306 178.624 177.300 0.032 0.000 1.146 30 P CA 1.291 64.379 63.100 -0.021 0.000 0.813 30 P CB 0.456 32.134 31.700 -0.038 0.000 0.778 31 E N -1.732 118.496 120.200 0.046 0.000 2.216 31 E HA -0.066 4.285 4.350 0.002 0.000 0.192 31 E C 1.821 178.363 176.600 -0.097 0.000 0.988 31 E CA 0.684 57.038 56.400 -0.076 0.000 0.834 31 E CB -0.703 28.751 29.700 -0.409 0.000 0.772 31 E HN 0.266 nan 8.360 nan 0.000 0.479 32 F N 1.271 120.929 119.950 -0.488 0.000 2.154 32 F HA -0.165 4.363 4.527 0.002 0.000 0.301 32 F C 2.282 177.774 175.800 -0.514 0.000 1.087 32 F CA 0.842 58.435 58.000 -0.679 0.000 1.274 32 F CB -0.940 37.468 39.000 -0.986 0.000 1.009 32 F HN -0.002 nan 8.300 nan 0.000 0.485 33 L N -0.924 120.252 121.223 -0.079 0.000 2.291 33 L HA -0.121 4.220 4.340 0.002 0.000 0.214 33 L C 1.978 178.925 176.870 0.128 0.000 1.120 33 L CA 1.005 55.891 54.840 0.078 0.000 0.799 33 L CB -0.698 41.407 42.059 0.076 0.000 0.925 33 L HN 0.028 nan 8.230 nan 0.000 0.446 34 K N 0.673 121.147 120.400 0.125 0.000 2.432 34 K HA 0.151 4.472 4.320 0.002 0.000 0.196 34 K C 0.762 177.503 176.600 0.234 0.000 1.038 34 K CA 0.097 56.493 56.287 0.182 0.000 0.986 34 K CB 0.186 32.825 32.500 0.230 0.000 0.782 34 K HN 0.216 nan 8.250 nan 0.000 0.485 35 A N 0.552 123.498 122.820 0.211 0.000 2.289 35 A HA 0.516 4.837 4.320 0.002 0.000 0.298 35 A C 0.817 178.510 177.584 0.182 0.000 1.208 35 A CA 0.140 52.321 52.037 0.240 0.000 0.845 35 A CB 0.261 19.291 19.000 0.050 0.000 1.125 35 A HN 0.366 nan 8.150 nan 0.000 0.517 36 G N 2.107 111.031 108.800 0.207 0.000 2.160 36 G HA2 -0.225 3.736 3.960 0.002 0.000 0.244 36 G HA3 -0.225 3.736 3.960 0.002 0.000 0.244 36 G C 0.784 175.866 174.900 0.304 0.000 1.022 36 G CA 0.569 45.831 45.100 0.270 0.000 0.741 36 G HN 0.633 nan 8.290 nan 0.000 0.508 37 K N 0.399 120.922 120.400 0.205 0.000 2.067 37 K HA 0.106 4.427 4.320 0.002 0.000 0.203 37 K C 1.441 178.111 176.600 0.118 0.000 1.048 37 K CA 1.718 58.099 56.287 0.156 0.000 0.954 37 K CB 0.022 32.598 32.500 0.128 0.000 0.737 37 K HN 0.900 nan 8.250 nan 0.000 0.444 38 E N 0.821 121.080 120.200 0.098 0.000 2.320 38 E HA 0.433 4.784 4.350 0.002 0.000 0.264 38 E C -2.763 173.862 176.600 0.041 0.000 0.923 38 E CA -2.534 53.898 56.400 0.054 0.000 0.796 38 E CB 1.397 31.116 29.700 0.031 0.000 1.262 38 E HN -0.259 nan 8.360 nan 0.000 0.428 39 P HA 0.289 nan 4.420 nan 0.000 0.266 39 P C -0.229 177.055 177.300 -0.026 0.000 1.195 39 P CA 0.599 63.685 63.100 -0.023 0.000 0.768 39 P CB 0.733 32.406 31.700 -0.044 0.000 0.838 40 G N 0.746 109.519 108.800 -0.044 0.000 2.362 40 G HA2 0.309 4.270 3.960 0.002 0.000 0.288 40 G HA3 0.309 4.270 3.960 0.002 0.000 0.288 40 G C -2.490 172.356 174.900 -0.091 0.000 1.305 40 G CA -0.733 44.329 45.100 -0.063 0.000 0.910 40 G HN 0.637 nan 8.290 nan 0.000 0.518 41 L N -0.151 121.016 121.223 -0.093 0.000 2.385 41 L HA 0.839 5.180 4.340 0.002 0.000 0.273 41 L C -0.430 176.407 176.870 -0.056 0.000 0.990 41 L CA -0.381 54.371 54.840 -0.147 0.000 0.821 41 L CB 1.988 43.906 42.059 -0.235 0.000 1.279 41 L HN 0.700 nan 8.230 nan 0.000 0.412 42 Q N 5.420 125.103 119.800 -0.195 0.000 2.337 42 Q HA 0.654 4.995 4.340 0.002 0.000 0.270 42 Q C -1.446 174.145 176.000 -0.681 0.000 1.043 42 Q CA -0.449 55.096 55.803 -0.431 0.000 0.794 42 Q CB 2.954 31.346 28.738 -0.578 0.000 1.281 42 Q HN 0.595 nan 8.270 nan 0.000 0.446 43 I N 1.991 122.073 120.570 -0.814 0.000 2.447 43 I HA 0.424 4.595 4.170 0.002 0.000 0.287 43 I C -0.916 174.918 176.117 -0.471 0.000 1.023 43 I CA -0.609 60.353 61.300 -0.563 0.000 1.083 43 I CB 1.209 38.804 38.000 -0.675 0.000 1.245 43 I HN 0.391 nan 8.210 nan 0.000 0.434 44 W N 5.697 127.099 121.300 0.169 0.000 2.551 44 W HA 0.519 5.180 4.660 0.002 0.000 0.330 44 W C 0.077 176.745 176.519 0.248 0.000 1.063 44 W CA -0.782 56.658 57.345 0.158 0.000 1.222 44 W CB 1.794 31.269 29.460 0.025 0.000 1.349 44 W HN 0.348 nan 8.180 nan 0.000 0.536 45 R N 1.590 122.309 120.500 0.366 0.000 2.368 45 R HA 0.443 4.784 4.340 0.002 0.000 0.302 45 R C -0.852 175.486 176.300 0.064 0.000 1.002 45 R CA -0.399 55.695 56.100 -0.011 0.000 0.929 45 R CB 1.395 31.676 30.300 -0.032 0.000 1.073 45 R HN 0.298 nan 8.270 nan 0.000 0.464 46 V N 4.403 124.340 119.914 0.038 0.000 2.470 46 V HA 0.122 4.243 4.120 0.002 0.000 0.276 46 V C 0.005 176.172 176.094 0.122 0.000 1.040 46 V CA 0.319 62.715 62.300 0.159 0.000 1.008 46 V CB 0.921 32.903 31.823 0.265 0.000 0.990 46 V HN 0.801 nan 8.190 nan 0.000 0.477 47 E N 4.066 124.355 120.200 0.148 0.000 2.402 47 E HA 0.379 4.730 4.350 0.002 0.000 0.244 47 E C -0.431 176.257 176.600 0.146 0.000 0.945 47 E CA -0.685 55.780 56.400 0.109 0.000 0.774 47 E CB 0.945 30.689 29.700 0.072 0.000 1.296 47 E HN 0.615 nan 8.360 nan 0.000 0.414 48 K N 2.186 122.674 120.400 0.147 0.000 3.244 48 K HA -0.220 4.101 4.320 0.002 0.000 0.270 48 K C -0.408 176.364 176.600 0.285 0.000 1.016 48 K CA 0.539 56.920 56.287 0.156 0.000 0.754 48 K CB -1.471 31.087 32.500 0.098 0.000 1.326 48 K HN 0.857 nan 8.250 nan 0.000 0.465 49 F N -1.237 118.789 119.950 0.126 0.000 3.074 49 F HA -0.341 4.186 4.527 0.002 0.000 0.287 49 F C 0.032 176.042 175.800 0.350 0.000 0.932 49 F CA 0.706 58.813 58.000 0.178 0.000 0.995 49 F CB -0.211 38.810 39.000 0.036 0.000 0.966 49 F HN 0.439 nan 8.300 nan 0.000 0.721 50 D N 1.070 121.727 120.400 0.429 0.000 2.661 50 D HA 0.519 5.160 4.640 0.002 0.000 0.228 50 D C -0.943 175.367 176.300 0.016 0.000 1.183 50 D CA -0.369 53.780 54.000 0.248 0.000 0.844 50 D CB 1.691 42.584 40.800 0.156 0.000 1.555 50 D HN 0.146 nan 8.370 nan 0.000 0.453 51 L N 1.905 122.944 121.223 -0.307 0.000 2.257 51 L HA 0.508 4.849 4.340 0.002 0.000 0.290 51 L C -0.543 176.330 176.870 0.004 0.000 1.044 51 L CA -0.855 53.773 54.840 -0.353 0.000 0.810 51 L CB 1.404 42.877 42.059 -0.976 0.000 1.193 51 L HN 0.115 nan 8.230 nan 0.000 0.425 52 V N 4.979 125.000 119.914 0.179 0.000 2.409 52 V HA 0.353 4.474 4.120 0.002 0.000 0.291 52 V C -2.206 174.096 176.094 0.348 0.000 1.020 52 V CA -2.009 60.433 62.300 0.237 0.000 0.848 52 V CB 1.714 33.631 31.823 0.156 0.000 0.990 52 V HN 0.557 nan 8.190 nan 0.000 0.430 53 P HA 0.136 nan 4.420 nan 0.000 0.271 53 P C -0.185 177.239 177.300 0.206 0.000 1.226 53 P CA 0.009 63.226 63.100 0.195 0.000 0.765 53 P CB 0.568 32.355 31.700 0.145 0.000 0.835 54 V N 7.065 127.105 119.914 0.210 0.000 2.655 54 V HA 0.062 4.183 4.120 0.002 0.000 0.300 54 V C -1.753 174.482 176.094 0.235 0.000 1.044 54 V CA -1.050 61.414 62.300 0.274 0.000 1.095 54 V CB -0.185 31.724 31.823 0.142 0.000 0.952 54 V HN 0.559 nan 8.190 nan 0.000 0.485 55 P HA 0.163 nan 4.420 nan 0.000 0.268 55 P C -2.150 175.100 177.300 -0.084 0.000 1.204 55 P CA -1.292 61.837 63.100 0.049 0.000 0.768 55 P CB 0.094 31.823 31.700 0.050 0.000 0.842 56 P HA -0.178 nan 4.420 nan 0.000 0.218 56 P C 1.074 178.033 177.300 -0.569 0.000 1.148 56 P CA 1.377 63.953 63.100 -0.873 0.000 0.822 56 P CB -0.320 30.994 31.700 -0.642 0.000 0.784 57 N N 0.057 118.591 118.700 -0.276 0.000 2.453 57 N HA -0.101 4.640 4.740 0.002 0.000 0.183 57 N C 1.093 176.528 175.510 -0.125 0.000 1.041 57 N CA 1.018 53.962 53.050 -0.176 0.000 0.900 57 N CB -0.853 37.564 38.487 -0.117 0.000 0.961 57 N HN 0.270 nan 8.380 nan 0.000 0.443 58 L N -0.489 120.675 121.223 -0.097 0.000 2.728 58 L HA 0.272 4.613 4.340 0.002 0.000 0.238 58 L C -0.182 176.626 176.870 -0.104 0.000 1.143 58 L CA -0.613 54.164 54.840 -0.106 0.000 0.937 58 L CB -0.306 41.686 42.059 -0.111 0.000 1.225 58 L HN -0.148 nan 8.230 nan 0.000 0.507 59 Y N 1.716 121.873 120.300 -0.239 0.000 2.810 59 Y HA 0.173 4.724 4.550 0.002 0.000 0.332 59 Y C 1.588 177.351 175.900 -0.229 0.000 1.243 59 Y CA 0.929 58.893 58.100 -0.226 0.000 1.537 59 Y CB 0.056 38.462 38.460 -0.090 0.000 1.265 59 Y HN 0.297 nan 8.280 nan 0.000 0.572 60 G N 2.324 110.879 108.800 -0.408 0.000 2.258 60 G HA2 -0.248 3.713 3.960 0.002 0.000 0.233 60 G HA3 -0.248 3.713 3.960 0.002 0.000 0.233 60 G C -0.156 174.245 174.900 -0.831 0.000 1.006 60 G CA -0.056 44.649 45.100 -0.658 0.000 0.620 60 G HN 0.548 nan 8.290 nan 0.000 0.511 61 D N 0.587 120.487 120.400 -0.833 0.000 2.351 61 D HA 0.602 5.243 4.640 0.002 0.000 0.251 61 D C -0.295 175.251 176.300 -1.258 0.000 1.137 61 D CA 0.609 54.138 54.000 -0.786 0.000 0.879 61 D CB 0.446 40.888 40.800 -0.597 0.000 1.181 61 D HN 0.143 nan 8.370 nan 0.000 0.448 62 F N 1.581 121.157 119.950 -0.624 0.000 2.607 62 F HA 0.315 4.843 4.527 0.001 0.000 0.322 62 F C -0.269 175.440 175.800 -0.151 0.000 1.176 62 F CA -0.962 56.620 58.000 -0.698 0.000 0.977 62 F CB 0.892 39.082 39.000 -1.349 0.000 1.242 62 F HN 0.147 nan 8.300 nan 0.000 0.465 63 F N 1.728 122.007 119.950 0.547 0.000 2.529 63 F HA 0.124 4.652 4.527 0.002 0.000 0.365 63 F C 1.709 177.872 175.800 0.604 0.000 1.102 63 F CA 0.395 58.711 58.000 0.527 0.000 1.271 63 F CB 0.942 40.250 39.000 0.514 0.000 1.120 63 F HN 0.536 nan 8.300 nan 0.000 0.579 64 T N 2.107 117.033 114.554 0.621 0.000 2.995 64 T HA -0.043 4.308 4.350 0.002 0.000 0.269 64 T C 1.640 176.537 174.700 0.328 0.000 1.091 64 T CA 1.283 63.638 62.100 0.425 0.000 1.128 64 T CB -0.197 68.836 68.868 0.275 0.000 0.891 64 T HN 0.806 nan 8.240 nan 0.000 0.492 65 G N 0.953 109.973 108.800 0.367 0.000 3.820 65 G HA2 0.335 4.296 3.960 0.002 0.000 0.293 65 G HA3 0.335 4.296 3.960 0.002 0.000 0.293 65 G C -0.755 174.309 174.900 0.273 0.000 1.152 65 G CA -0.364 44.886 45.100 0.250 0.000 0.921 65 G HN 0.227 nan 8.290 nan 0.000 0.544 66 D N -0.472 120.178 120.400 0.417 0.000 2.531 66 D HA 0.733 5.374 4.640 0.002 0.000 0.244 66 D C -0.430 176.162 176.300 0.487 0.000 1.090 66 D CA -0.255 53.983 54.000 0.396 0.000 0.989 66 D CB 2.103 43.165 40.800 0.436 0.000 1.433 66 D HN 0.161 nan 8.370 nan 0.000 0.492 67 A N 0.328 123.363 122.820 0.358 0.000 2.380 67 A HA 0.780 5.101 4.320 0.002 0.000 0.315 67 A C -1.654 176.194 177.584 0.440 0.000 1.101 67 A CA -0.465 51.866 52.037 0.489 0.000 0.771 67 A CB 1.012 20.219 19.000 0.345 0.000 1.287 67 A HN 0.454 nan 8.150 nan 0.000 0.436 68 Y N -0.697 119.958 120.300 0.593 0.000 2.609 68 Y HA 0.599 5.150 4.550 0.002 0.000 0.342 68 Y C -0.223 176.007 175.900 0.550 0.000 1.058 68 Y CA -0.906 57.536 58.100 0.571 0.000 1.055 68 Y CB 2.326 41.173 38.460 0.645 0.000 1.292 68 Y HN 0.447 nan 8.280 nan 0.000 0.476 69 V N 3.302 123.627 119.914 0.685 0.000 2.540 69 V HA 0.534 4.655 4.120 0.002 0.000 0.302 69 V C -0.997 175.483 176.094 0.642 0.000 1.035 69 V CA -0.705 61.961 62.300 0.610 0.000 0.873 69 V CB 1.722 33.821 31.823 0.460 0.000 0.992 69 V HN 0.476 nan 8.190 nan 0.000 0.428 70 I N 5.468 126.376 120.570 0.563 0.000 2.468 70 I HA 0.489 4.660 4.170 0.002 0.000 0.285 70 I C -0.818 175.506 176.117 0.345 0.000 1.039 70 I CA -0.268 61.329 61.300 0.496 0.000 1.074 70 I CB 1.777 40.270 38.000 0.822 0.000 1.228 70 I HN 0.449 nan 8.210 nan 0.000 0.436 71 L N 6.960 128.331 121.223 0.247 0.000 2.305 71 L HA 0.663 5.004 4.340 0.002 0.000 0.284 71 L C -0.598 176.331 176.870 0.097 0.000 1.013 71 L CA -0.501 54.456 54.840 0.196 0.000 0.819 71 L CB 1.010 43.243 42.059 0.289 0.000 1.227 71 L HN 0.468 nan 8.230 nan 0.000 0.417 72 K N 2.991 123.471 120.400 0.133 0.000 2.339 72 K HA 0.575 4.896 4.320 0.002 0.000 0.264 72 K C -1.142 175.516 176.600 0.098 0.000 0.986 72 K CA -0.165 56.096 56.287 -0.044 0.000 0.866 72 K CB 1.240 33.583 32.500 -0.261 0.000 1.103 72 K HN 0.646 nan 8.250 nan 0.000 0.441 73 T N 3.672 118.260 114.554 0.057 0.000 2.758 73 T HA 0.384 4.735 4.350 0.002 0.000 0.285 73 T C -0.785 173.877 174.700 -0.062 0.000 0.981 73 T CA -0.638 61.497 62.100 0.059 0.000 0.965 73 T CB 1.043 69.998 68.868 0.145 0.000 0.927 73 T HN 0.281 nan 8.240 nan 0.000 0.448 74 V N 3.895 123.734 119.914 -0.126 0.000 2.435 74 V HA 0.350 4.471 4.120 0.002 0.000 0.290 74 V C 0.234 176.225 176.094 -0.173 0.000 1.030 74 V CA -0.885 61.325 62.300 -0.149 0.000 0.881 74 V CB 1.738 33.448 31.823 -0.187 0.000 0.983 74 V HN 0.835 nan 8.190 nan 0.000 0.445 75 Q N 4.132 123.853 119.800 -0.133 0.000 2.307 75 Q HA 0.394 4.735 4.340 0.002 0.000 0.261 75 Q C -0.597 175.325 176.000 -0.130 0.000 1.051 75 Q CA -0.115 55.615 55.803 -0.122 0.000 0.911 75 Q CB 0.589 29.276 28.738 -0.085 0.000 1.227 75 Q HN 0.657 nan 8.270 nan 0.000 0.418 76 L N 3.806 124.947 121.223 -0.137 0.000 2.473 76 L HA 0.097 4.438 4.340 0.002 0.000 0.268 76 L C 1.551 178.368 176.870 -0.087 0.000 1.215 76 L CA -0.001 54.767 54.840 -0.121 0.000 0.823 76 L CB 0.409 42.401 42.059 -0.110 0.000 1.099 76 L HN 0.768 nan 8.230 nan 0.000 0.483 77 R N 0.954 121.409 120.500 -0.075 0.000 2.148 77 R HA -0.131 4.210 4.340 0.002 0.000 0.227 77 R C 1.444 177.720 176.300 -0.041 0.000 1.103 77 R CA 1.383 57.450 56.100 -0.056 0.000 0.983 77 R CB -0.384 29.887 30.300 -0.048 0.000 0.874 77 R HN 0.719 nan 8.270 nan 0.000 0.451 78 N N -0.076 118.602 118.700 -0.038 0.000 2.521 78 N HA -0.009 4.732 4.740 0.002 0.000 0.188 78 N C 1.090 176.581 175.510 -0.031 0.000 1.146 78 N CA 1.078 54.111 53.050 -0.028 0.000 0.893 78 N CB 0.436 38.911 38.487 -0.020 0.000 0.975 78 N HN 0.296 nan 8.380 nan 0.000 0.451 79 G N -0.403 108.372 108.800 -0.042 0.000 2.317 79 G HA2 -0.256 3.705 3.960 0.002 0.000 0.227 79 G HA3 -0.256 3.705 3.960 0.002 0.000 0.227 79 G C 0.051 174.920 174.900 -0.053 0.000 1.042 79 G CA 0.136 45.211 45.100 -0.042 0.000 0.623 79 G HN 0.277 nan 8.290 nan 0.000 0.509 80 I N 2.151 122.689 120.570 -0.054 0.000 2.932 80 I HA 0.164 4.335 4.170 0.002 0.000 0.295 80 I C 1.386 177.433 176.117 -0.117 0.000 1.227 80 I CA 0.218 61.478 61.300 -0.067 0.000 1.429 80 I CB 0.031 38.001 38.000 -0.051 0.000 1.339 80 I HN 0.184 nan 8.210 nan 0.000 0.589 81 L N 4.844 125.968 121.223 -0.166 0.000 2.360 81 L HA 0.404 4.745 4.340 0.002 0.000 0.271 81 L C 0.169 176.753 176.870 -0.477 0.000 1.057 81 L CA -0.516 54.135 54.840 -0.315 0.000 0.803 81 L CB 1.258 43.102 42.059 -0.358 0.000 1.207 81 L HN 0.612 nan 8.230 nan 0.000 0.445 82 Q N 1.676 121.152 119.800 -0.539 0.000 2.365 82 Q HA 0.438 4.779 4.340 0.002 0.000 0.269 82 Q C -2.051 173.660 176.000 -0.481 0.000 1.061 82 Q CA -0.645 54.898 55.803 -0.434 0.000 0.816 82 Q CB 1.969 30.553 28.738 -0.256 0.000 1.325 82 Q HN 0.519 nan 8.270 nan 0.000 0.446 83 Y N 1.632 121.985 120.300 0.088 0.000 2.361 83 Y HA 0.350 4.901 4.550 0.002 0.000 0.337 83 Y C -1.106 174.923 175.900 0.215 0.000 0.965 83 Y CA -0.966 57.204 58.100 0.116 0.000 1.091 83 Y CB 2.138 40.644 38.460 0.077 0.000 1.182 83 Y HN 0.655 nan 8.280 nan 0.000 0.450 84 D N 3.842 124.510 120.400 0.446 0.000 2.381 84 D HA 0.407 5.048 4.640 0.002 0.000 0.235 84 D C -1.050 175.423 176.300 0.288 0.000 1.068 84 D CA -0.261 54.091 54.000 0.586 0.000 0.832 84 D CB 1.400 42.714 40.800 0.856 0.000 1.101 84 D HN 0.353 nan 8.370 nan 0.000 0.515 85 L N 4.173 125.408 121.223 0.020 0.000 2.272 85 L HA 0.374 4.715 4.340 0.002 0.000 0.289 85 L C -0.557 176.002 176.870 -0.519 0.000 1.032 85 L CA -0.741 53.926 54.840 -0.288 0.000 0.810 85 L CB 0.565 42.584 42.059 -0.067 0.000 1.205 85 L HN 0.451 nan 8.230 nan 0.000 0.422 86 H N 3.590 122.965 119.070 0.509 0.000 2.538 86 H HA 0.321 4.878 4.556 0.002 0.000 0.353 86 H C -1.089 174.551 175.328 0.520 0.000 1.109 86 H CA -0.668 55.682 56.048 0.504 0.000 1.192 86 H CB 1.324 31.448 29.762 0.603 0.000 1.555 86 H HN 0.493 nan 8.280 nan 0.000 0.518 87 Y N -0.291 120.182 120.300 0.290 0.000 2.377 87 Y HA 0.468 5.019 4.550 0.002 0.000 0.339 87 Y C -1.088 174.963 175.900 0.253 0.000 1.011 87 Y CA -1.469 56.813 58.100 0.304 0.000 1.093 87 Y CB 1.499 40.101 38.460 0.236 0.000 1.201 87 Y HN 0.633 nan 8.280 nan 0.000 0.455 88 W N 6.907 128.275 121.300 0.113 0.000 2.475 88 W HA 0.693 5.354 4.660 0.002 0.000 0.317 88 W C -2.114 174.427 176.519 0.037 0.000 1.046 88 W CA -1.223 56.036 57.345 -0.143 0.000 1.215 88 W CB 1.436 30.721 29.460 -0.292 0.000 1.335 88 W HN 0.621 nan 8.180 nan 0.000 0.471 89 L N 7.257 128.066 121.223 -0.690 0.000 2.298 89 L HA 0.539 4.880 4.340 0.002 0.000 0.284 89 L C 1.007 177.231 176.870 -1.076 0.000 1.013 89 L CA -1.040 53.471 54.840 -0.549 0.000 0.824 89 L CB 0.953 42.818 42.059 -0.323 0.000 1.221 89 L HN 0.648 nan 8.230 nan 0.000 0.418 90 G N 1.783 110.127 108.800 -0.760 0.000 2.554 90 G HA2 0.003 3.964 3.960 0.002 0.000 0.238 90 G HA3 0.003 3.964 3.960 0.002 0.000 0.238 90 G C 0.491 175.216 174.900 -0.291 0.000 1.259 90 G CA -0.249 44.529 45.100 -0.538 0.000 0.843 90 G HN 0.844 nan 8.290 nan 0.000 0.582 91 N N -0.096 118.475 118.700 -0.215 0.000 2.188 91 N HA -0.096 4.645 4.740 0.002 0.000 0.184 91 N C 0.872 176.358 175.510 -0.041 0.000 1.018 91 N CA 0.668 53.645 53.050 -0.120 0.000 0.858 91 N CB 0.167 38.605 38.487 -0.081 0.000 0.989 91 N HN 0.348 nan 8.380 nan 0.000 0.426 92 E N 0.383 120.590 120.200 0.012 0.000 2.335 92 E HA 0.078 4.429 4.350 0.002 0.000 0.191 92 E C -0.637 175.997 176.600 0.057 0.000 1.077 92 E CA -0.195 56.234 56.400 0.048 0.000 1.010 92 E CB -0.709 29.046 29.700 0.091 0.000 1.141 92 E HN 0.236 nan 8.360 nan 0.000 0.452 93 C N 1.816 121.133 119.300 0.028 0.000 2.601 93 C HA 0.271 4.732 4.460 0.002 0.000 0.409 93 C C 0.948 175.958 174.990 0.033 0.000 1.293 93 C CA -0.417 58.628 59.018 0.045 0.000 2.101 93 C CB -0.285 27.463 27.740 0.013 0.000 2.639 93 C HN 0.441 nan 8.230 nan 0.000 0.592 94 S N 4.176 119.902 115.700 0.044 0.000 2.576 94 S HA 0.012 4.483 4.470 0.002 0.000 0.272 94 S C 0.904 175.512 174.600 0.013 0.000 1.352 94 S CA -0.301 57.913 58.200 0.024 0.000 1.021 94 S CB 0.707 63.920 63.200 0.022 0.000 0.887 94 S HN 0.912 nan 8.310 nan 0.000 0.542 95 Q N 0.441 120.239 119.800 -0.002 0.000 2.230 95 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 95 Q C 0.542 176.526 176.000 -0.026 0.000 0.963 95 Q CA 1.546 57.342 55.803 -0.012 0.000 0.866 95 Q CB -0.217 28.509 28.738 -0.019 0.000 0.931 95 Q HN 0.781 nan 8.270 nan 0.000 0.452 96 D N 0.247 120.626 120.400 -0.035 0.000 2.120 96 D HA -0.090 4.551 4.640 0.002 0.000 0.202 96 D C 1.725 177.990 176.300 -0.058 0.000 0.972 96 D CA 0.858 54.815 54.000 -0.072 0.000 0.837 96 D CB 0.087 40.842 40.800 -0.075 0.000 0.989 96 D HN 0.231 nan 8.370 nan 0.000 0.469 97 E N 0.268 120.470 120.200 0.003 0.000 2.153 97 E HA -0.131 4.220 4.350 0.002 0.000 0.194 97 E C 2.066 178.723 176.600 0.094 0.000 0.988 97 E CA 1.208 57.644 56.400 0.060 0.000 0.811 97 E CB -0.071 29.685 29.700 0.093 0.000 0.746 97 E HN 0.318 nan 8.360 nan 0.000 0.466 98 S N -0.285 115.462 115.700 0.079 0.000 2.446 98 S HA 0.008 4.479 4.470 0.002 0.000 0.225 98 S C 2.144 176.788 174.600 0.073 0.000 1.016 98 S CA 0.687 58.961 58.200 0.124 0.000 0.943 98 S CB -0.138 63.125 63.200 0.105 0.000 0.786 98 S HN 0.245 nan 8.310 nan 0.000 0.508 99 G N 1.722 110.516 108.800 -0.011 0.000 2.402 99 G HA2 0.095 4.056 3.960 0.002 0.000 0.216 99 G HA3 0.095 4.056 3.960 0.002 0.000 0.216 99 G C 1.655 176.473 174.900 -0.136 0.000 1.162 99 G CA 0.651 45.700 45.100 -0.083 0.000 0.777 99 G HN 0.723 nan 8.290 nan 0.000 0.539 100 A N 1.156 123.892 122.820 -0.139 0.000 1.933 100 A HA 0.273 4.594 4.320 0.002 0.000 0.218 100 A C 2.790 180.425 177.584 0.085 0.000 1.175 100 A CA 2.171 54.140 52.037 -0.113 0.000 0.628 100 A CB -0.703 18.302 19.000 0.009 0.000 0.814 100 A HN 0.737 nan 8.150 nan 0.000 0.444 101 A N -0.063 122.842 122.820 0.141 0.000 1.877 101 A HA 0.149 4.470 4.320 0.002 0.000 0.216 101 A C 2.515 180.000 177.584 -0.165 0.000 1.186 101 A CA 2.122 54.275 52.037 0.193 0.000 0.620 101 A CB -1.031 18.166 19.000 0.330 0.000 0.822 101 A HN 1.050 nan 8.150 nan 0.000 0.443 102 A N -0.264 122.282 122.820 -0.457 0.000 1.902 102 A HA -0.058 4.263 4.320 0.002 0.000 0.217 102 A C 2.119 179.529 177.584 -0.290 0.000 1.181 102 A CA 1.504 53.119 52.037 -0.704 0.000 0.623 102 A CB -0.590 18.131 19.000 -0.464 0.000 0.818 102 A HN 0.485 nan 8.150 nan 0.000 0.443 103 I N -1.780 118.688 120.570 -0.170 0.000 2.226 103 I HA -0.249 3.922 4.170 0.002 0.000 0.245 103 I C 2.291 178.388 176.117 -0.032 0.000 1.100 103 I CA 1.415 62.649 61.300 -0.110 0.000 1.374 103 I CB -0.319 37.603 38.000 -0.130 0.000 1.057 103 I HN 0.369 nan 8.210 nan 0.000 0.413 104 F N 0.351 120.339 119.950 0.063 0.000 2.186 104 F HA -0.218 4.310 4.527 0.002 0.000 0.299 104 F C 2.670 178.471 175.800 0.002 0.000 1.090 104 F CA 1.301 59.349 58.000 0.081 0.000 1.307 104 F CB -0.515 38.521 39.000 0.059 0.000 1.019 104 F HN -0.006 nan 8.300 nan 0.000 0.489 105 T N -0.090 114.532 114.554 0.113 0.000 2.622 105 T HA -0.195 4.156 4.350 0.002 0.000 0.266 105 T C 2.142 176.833 174.700 -0.014 0.000 1.047 105 T CA 1.586 63.692 62.100 0.009 0.000 1.159 105 T CB -0.666 68.141 68.868 -0.103 0.000 0.863 105 T HN -0.011 nan 8.240 nan 0.000 0.422 106 V N 1.400 121.299 119.914 -0.025 0.000 2.282 106 V HA -0.247 3.874 4.120 0.002 0.000 0.249 106 V C 2.614 178.724 176.094 0.026 0.000 1.057 106 V CA 1.832 64.126 62.300 -0.010 0.000 1.032 106 V CB -0.638 31.175 31.823 -0.017 0.000 0.645 106 V HN 0.522 nan 8.190 nan 0.000 0.447 107 Q N -1.133 118.724 119.800 0.094 0.000 2.230 107 Q HA -0.071 4.270 4.340 0.002 0.000 0.202 107 Q C 2.274 178.344 176.000 0.116 0.000 0.963 107 Q CA 1.101 57.023 55.803 0.199 0.000 0.866 107 Q CB -0.036 28.906 28.738 0.341 0.000 0.931 107 Q HN 0.565 nan 8.270 nan 0.000 0.452 108 L N 0.328 121.458 121.223 -0.155 0.000 2.131 108 L HA -0.155 4.186 4.340 0.002 0.000 0.206 108 L C 1.838 178.516 176.870 -0.321 0.000 1.087 108 L CA 1.288 55.711 54.840 -0.695 0.000 0.767 108 L CB -0.094 41.546 42.059 -0.698 0.000 0.917 108 L HN 0.248 nan 8.230 nan 0.000 0.441 109 D N -0.202 120.102 120.400 -0.159 0.000 2.117 109 D HA -0.283 4.358 4.640 0.002 0.000 0.197 109 D C 1.743 178.005 176.300 -0.064 0.000 0.987 109 D CA 1.679 55.619 54.000 -0.100 0.000 0.829 109 D CB 0.110 40.877 40.800 -0.055 0.000 0.961 109 D HN 0.309 nan 8.370 nan 0.000 0.460 110 D N -1.792 118.596 120.400 -0.020 0.000 2.123 110 D HA -0.236 4.405 4.640 0.002 0.000 0.196 110 D C 1.743 178.061 176.300 0.029 0.000 0.992 110 D CA 1.042 55.052 54.000 0.018 0.000 0.833 110 D CB -0.257 40.581 40.800 0.063 0.000 0.954 110 D HN 0.372 nan 8.370 nan 0.000 0.455 111 Y N 0.398 120.645 120.300 -0.089 0.000 2.352 111 Y HA 0.048 4.599 4.550 0.002 0.000 0.292 111 Y C 1.054 176.877 175.900 -0.129 0.000 1.136 111 Y CA 0.962 59.015 58.100 -0.079 0.000 1.227 111 Y CB 0.065 38.469 38.460 -0.092 0.000 0.991 111 Y HN -0.002 nan 8.280 nan 0.000 0.545 112 L N 1.568 122.669 121.223 -0.202 0.000 2.737 112 L HA 0.062 4.403 4.340 0.002 0.000 0.236 112 L C 0.161 176.954 176.870 -0.129 0.000 1.219 112 L CA 0.177 54.855 54.840 -0.270 0.000 1.021 112 L CB -0.628 41.200 42.059 -0.384 0.000 1.291 112 L HN 0.318 nan 8.230 nan 0.000 0.470 113 N N 0.495 119.121 118.700 -0.123 0.000 2.741 113 N HA -0.209 4.532 4.740 0.002 0.000 0.251 113 N C 1.092 176.584 175.510 -0.030 0.000 1.112 113 N CA 0.948 53.959 53.050 -0.067 0.000 0.750 113 N CB -1.311 37.141 38.487 -0.059 0.000 1.119 113 N HN 0.648 nan 8.380 nan 0.000 0.561 114 G N 0.111 108.893 108.800 -0.030 0.000 2.153 114 G HA2 -0.393 3.568 3.960 0.002 0.000 0.252 114 G HA3 -0.393 3.568 3.960 0.002 0.000 0.252 114 G C 0.803 175.699 174.900 -0.007 0.000 0.994 114 G CA 1.083 46.169 45.100 -0.023 0.000 0.698 114 G HN 0.797 nan 8.290 nan 0.000 0.521 115 R N -0.700 119.822 120.500 0.036 0.000 2.365 115 R HA 0.725 5.066 4.340 0.002 0.000 0.223 115 R C 1.248 177.627 176.300 0.131 0.000 0.899 115 R CA 0.623 56.767 56.100 0.072 0.000 1.059 115 R CB 0.252 30.608 30.300 0.092 0.000 1.086 115 R HN 0.878 nan 8.270 nan 0.000 0.522 116 A N 1.421 124.325 122.820 0.140 0.000 2.407 116 A HA 0.410 4.731 4.320 0.002 0.000 0.248 116 A C 0.099 177.744 177.584 0.103 0.000 1.082 116 A CA -0.459 51.684 52.037 0.177 0.000 0.785 116 A CB 0.606 19.672 19.000 0.110 0.000 1.020 116 A HN 0.097 nan 8.150 nan 0.000 0.489 117 V N 2.977 122.986 119.914 0.159 0.000 2.546 117 V HA 0.241 4.362 4.120 0.002 0.000 0.284 117 V C 0.310 176.333 176.094 -0.118 0.000 1.050 117 V CA -0.114 62.241 62.300 0.090 0.000 0.981 117 V CB 0.924 32.913 31.823 0.277 0.000 0.990 117 V HN 0.976 nan 8.190 nan 0.000 0.474 118 Q N 3.689 123.284 119.800 -0.342 0.000 2.306 118 Q HA 0.604 4.945 4.340 0.002 0.000 0.265 118 Q C -1.357 174.137 176.000 -0.843 0.000 1.022 118 Q CA -0.787 54.758 55.803 -0.430 0.000 0.853 118 Q CB 2.336 31.010 28.738 -0.106 0.000 1.327 118 Q HN 0.741 nan 8.270 nan 0.000 0.449 119 H N 0.967 120.203 119.070 0.276 0.000 2.877 119 H HA 0.319 4.876 4.556 0.002 0.000 0.347 119 H C -1.166 174.198 175.328 0.060 0.000 1.042 119 H CA -0.634 55.547 56.048 0.221 0.000 1.276 119 H CB 1.647 31.638 29.762 0.382 0.000 1.681 119 H HN 0.463 nan 8.280 nan 0.000 0.521 120 R N 2.432 122.908 120.500 -0.039 0.000 2.207 120 R HA 0.199 4.540 4.340 0.002 0.000 0.334 120 R C -0.729 175.375 176.300 -0.327 0.000 1.013 120 R CA -0.432 55.395 56.100 -0.456 0.000 0.858 120 R CB 0.573 30.668 30.300 -0.341 0.000 1.094 120 R HN 0.548 nan 8.270 nan 0.000 0.457 121 E N 3.638 123.575 120.200 -0.437 0.000 2.199 121 E HA 0.312 4.663 4.350 0.002 0.000 0.269 121 E C -0.992 175.281 176.600 -0.545 0.000 0.899 121 E CA -0.840 55.317 56.400 -0.406 0.000 0.772 121 E CB 2.573 31.947 29.700 -0.543 0.000 1.155 121 E HN 0.248 nan 8.360 nan 0.000 0.408 122 V N 2.244 121.890 119.914 -0.447 0.000 2.540 122 V HA 0.162 4.282 4.120 0.002 0.000 0.302 122 V C 0.257 176.067 176.094 -0.473 0.000 1.035 122 V CA -0.971 61.016 62.300 -0.522 0.000 0.873 122 V CB 1.843 33.502 31.823 -0.273 0.000 0.992 122 V HN 0.654 nan 8.190 nan 0.000 0.428 123 Q N 2.621 121.943 119.800 -0.797 0.000 2.549 123 Q HA 0.109 4.450 4.340 0.002 0.000 0.347 123 Q C 1.256 177.100 176.000 -0.262 0.000 1.081 123 Q CA 1.602 57.073 55.803 -0.554 0.000 1.093 123 Q CB 0.054 28.385 28.738 -0.678 0.000 1.067 123 Q HN 1.369 nan 8.270 nan 0.000 0.398 124 G N 3.480 112.178 108.800 -0.169 0.000 2.205 124 G HA2 -0.299 3.662 3.960 0.002 0.000 0.261 124 G HA3 -0.299 3.662 3.960 0.002 0.000 0.261 124 G C 0.152 174.707 174.900 -0.574 0.000 0.980 124 G CA 0.271 45.205 45.100 -0.276 0.000 0.632 124 G HN 0.662 nan 8.290 nan 0.000 0.533 125 F N 1.694 121.627 119.950 -0.027 0.000 2.802 125 F HA 0.287 4.816 4.527 0.002 0.000 0.346 125 F C 0.742 176.506 175.800 -0.061 0.000 1.229 125 F CA -0.325 57.648 58.000 -0.045 0.000 1.142 125 F CB 0.557 39.506 39.000 -0.084 0.000 1.146 125 F HN 0.220 nan 8.300 nan 0.000 0.510 126 E N 0.678 120.927 120.200 0.081 0.000 2.349 126 E HA 0.310 4.661 4.350 0.002 0.000 0.262 126 E C 0.230 176.861 176.600 0.052 0.000 1.088 126 E CA -0.315 56.093 56.400 0.014 0.000 0.899 126 E CB 1.246 30.930 29.700 -0.026 0.000 1.044 126 E HN 0.167 nan 8.360 nan 0.000 0.420 127 S N 0.292 115.997 115.700 0.009 0.000 2.580 127 S HA 0.204 4.675 4.470 0.002 0.000 0.266 127 S C 1.197 175.801 174.600 0.007 0.000 1.354 127 S CA -0.109 58.091 58.200 0.001 0.000 1.008 127 S CB 0.966 64.126 63.200 -0.067 0.000 0.898 127 S HN 0.728 nan 8.310 nan 0.000 0.555 128 A N 1.569 124.380 122.820 -0.016 0.000 1.933 128 A HA -0.000 4.321 4.320 0.002 0.000 0.218 128 A C 2.286 179.790 177.584 -0.133 0.000 1.175 128 A CA 1.943 53.948 52.037 -0.054 0.000 0.628 128 A CB -1.828 17.146 19.000 -0.044 0.000 0.814 128 A HN 0.891 nan 8.150 nan 0.000 0.444 129 T N -0.750 113.709 114.554 -0.157 0.000 2.622 129 T HA -0.161 4.190 4.350 0.002 0.000 0.266 129 T C 1.613 175.908 174.700 -0.675 0.000 1.047 129 T CA 1.681 63.613 62.100 -0.280 0.000 1.159 129 T CB -0.478 68.261 68.868 -0.216 0.000 0.863 129 T HN 0.455 nan 8.240 nan 0.000 0.422 130 F N 1.625 121.131 119.950 -0.740 0.000 2.087 130 F HA -0.147 4.381 4.527 0.002 0.000 0.299 130 F C 2.006 177.535 175.800 -0.451 0.000 1.100 130 F CA 1.380 58.908 58.000 -0.785 0.000 1.226 130 F CB -0.496 38.335 39.000 -0.282 0.000 0.983 130 F HN 0.067 nan 8.300 nan 0.000 0.479 131 L N -0.449 120.729 121.223 -0.076 0.000 2.131 131 L HA -0.126 4.215 4.340 0.002 0.000 0.210 131 L C 2.762 179.583 176.870 -0.081 0.000 1.092 131 L CA 1.118 55.980 54.840 0.036 0.000 0.759 131 L CB -1.481 40.613 42.059 0.058 0.000 0.903 131 L HN 0.322 nan 8.230 nan 0.000 0.435 132 G N -0.791 107.865 108.800 -0.241 0.000 2.448 132 G HA2 -0.272 3.689 3.960 0.002 0.000 0.219 132 G HA3 -0.272 3.689 3.960 0.002 0.000 0.219 132 G C 1.202 175.995 174.900 -0.179 0.000 1.127 132 G CA 0.373 45.351 45.100 -0.203 0.000 0.766 132 G HN 0.296 nan 8.290 nan 0.000 0.552 133 Y N -0.188 119.863 120.300 -0.414 0.000 2.497 133 Y HA 0.177 4.728 4.550 0.001 0.000 0.292 133 Y C 0.450 175.811 175.900 -0.899 0.000 1.137 133 Y CA -0.812 56.826 58.100 -0.771 0.000 1.285 133 Y CB -0.562 37.118 38.460 -1.301 0.000 0.991 133 Y HN 0.168 nan 8.280 nan 0.000 0.556 134 F N -0.326 119.575 119.950 -0.081 0.000 2.564 134 F HA 0.427 4.955 4.527 0.002 0.000 0.368 134 F C 1.055 176.797 175.800 -0.098 0.000 1.127 134 F CA -1.081 56.860 58.000 -0.099 0.000 1.170 134 F CB 0.910 39.830 39.000 -0.133 0.000 1.397 134 F HN -0.379 nan 8.300 nan 0.000 0.493 135 K N 0.213 120.624 120.400 0.018 0.000 2.116 135 K HA 0.014 4.335 4.320 0.002 0.000 0.203 135 K C 1.731 178.318 176.600 -0.021 0.000 1.052 135 K CA 0.637 56.914 56.287 -0.016 0.000 0.952 135 K CB -0.058 32.413 32.500 -0.049 0.000 0.729 135 K HN 0.372 nan 8.250 nan 0.000 0.446 136 S N 0.280 115.968 115.700 -0.021 0.000 2.500 136 S HA 0.017 4.488 4.470 0.002 0.000 0.239 136 S C 0.928 175.493 174.600 -0.058 0.000 0.989 136 S CA 0.757 58.930 58.200 -0.045 0.000 0.951 136 S CB -0.202 62.968 63.200 -0.049 0.000 0.759 136 S HN 0.582 nan 8.310 nan 0.000 0.523 137 G N 0.295 109.077 108.800 -0.030 0.000 2.592 137 G HA2 -0.018 3.943 3.960 0.002 0.000 0.684 137 G HA3 -0.018 3.943 3.960 0.002 0.000 0.684 137 G C -1.403 173.413 174.900 -0.139 0.000 1.291 137 G CA -1.132 43.921 45.100 -0.079 0.000 0.891 137 G HN 0.171 nan 8.290 nan 0.000 0.544 138 L N 0.211 121.278 121.223 -0.259 0.000 2.322 138 L HA 0.642 4.983 4.340 0.002 0.000 0.279 138 L C 0.684 177.279 176.870 -0.458 0.000 1.036 138 L CA -0.376 54.224 54.840 -0.399 0.000 0.807 138 L CB 1.720 43.496 42.059 -0.472 0.000 1.226 138 L HN 0.554 nan 8.230 nan 0.000 0.433 139 K N 2.982 123.146 120.400 -0.393 0.000 2.293 139 K HA 0.374 4.695 4.320 0.002 0.000 0.267 139 K C -1.351 175.128 176.600 -0.201 0.000 1.010 139 K CA -0.391 55.700 56.287 -0.328 0.000 0.875 139 K CB 0.927 33.272 32.500 -0.259 0.000 1.106 139 K HN 0.452 nan 8.250 nan 0.000 0.450 140 Y N 2.919 123.182 120.300 -0.061 0.000 2.404 140 Y HA 0.143 4.694 4.550 0.002 0.000 0.344 140 Y C 0.450 176.347 175.900 -0.005 0.000 0.995 140 Y CA -0.725 57.388 58.100 0.021 0.000 1.201 140 Y CB 0.747 39.264 38.460 0.096 0.000 1.151 140 Y HN 0.222 nan 8.280 nan 0.000 0.517 141 K N 3.701 124.177 120.400 0.126 0.000 2.118 141 K HA 0.345 4.666 4.320 0.002 0.000 0.254 141 K C -0.464 176.279 176.600 0.238 0.000 0.961 141 K CA -1.137 55.172 56.287 0.037 0.000 0.876 141 K CB 1.399 33.702 32.500 -0.328 0.000 1.077 141 K HN 0.451 nan 8.250 nan 0.000 0.440 142 K N 1.556 122.066 120.400 0.184 0.000 2.322 142 K HA 0.274 4.595 4.320 0.002 0.000 0.283 142 K C 0.418 177.179 176.600 0.268 0.000 1.042 142 K CA 0.216 56.615 56.287 0.186 0.000 0.958 142 K CB 1.041 33.581 32.500 0.067 0.000 0.984 142 K HN 0.897 nan 8.250 nan 0.000 0.473 143 G N 1.207 110.196 108.800 0.314 0.000 2.472 143 G HA2 0.130 4.091 3.960 0.002 0.000 0.205 143 G HA3 0.130 4.091 3.960 0.002 0.000 0.205 143 G C -0.125 174.940 174.900 0.275 0.000 1.270 143 G CA -0.487 44.812 45.100 0.332 0.000 0.974 143 G HN 1.006 nan 8.290 nan 0.000 0.542 144 G N -3.502 105.303 108.800 0.010 0.000 2.404 144 G HA2 0.522 4.483 3.960 0.002 0.000 0.253 144 G HA3 0.522 4.483 3.960 0.002 0.000 0.253 144 G C 0.732 175.503 174.900 -0.214 0.000 1.253 144 G CA 0.809 45.780 45.100 -0.216 0.000 0.917 144 G HN 1.720 nan 8.290 nan 0.000 0.480 145 V N 1.350 121.196 119.914 -0.114 0.000 2.379 145 V HA 0.074 4.195 4.120 0.002 0.000 0.245 145 V C 3.296 179.331 176.094 -0.098 0.000 1.044 145 V CA 3.131 65.366 62.300 -0.108 0.000 1.036 145 V CB -0.949 30.852 31.823 -0.036 0.000 0.664 145 V HN 1.186 nan 8.190 nan 0.000 0.453 146 A N 0.565 123.355 122.820 -0.051 0.000 2.015 146 A HA -0.126 4.195 4.320 0.002 0.000 0.219 146 A C 2.247 179.783 177.584 -0.081 0.000 1.163 146 A CA 1.838 53.848 52.037 -0.045 0.000 0.646 146 A CB -0.434 18.563 19.000 -0.005 0.000 0.806 146 A HN 0.617 nan 8.150 nan 0.000 0.448 147 S N -1.884 113.755 115.700 -0.103 0.000 2.575 147 S HA 0.412 4.883 4.470 0.002 0.000 0.215 147 S C 1.348 175.614 174.600 -0.556 0.000 0.966 147 S CA 0.671 58.761 58.200 -0.183 0.000 0.911 147 S CB 0.191 63.426 63.200 0.057 0.000 0.780 147 S HN 1.689 nan 8.310 nan 0.000 0.514 148 G N 0.916 109.442 108.800 -0.457 0.000 2.175 148 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 148 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 148 G C -0.086 174.471 174.900 -0.572 0.000 0.982 148 G CA -0.384 44.415 45.100 -0.503 0.000 0.641 148 G HN 0.502 nan 8.290 nan 0.000 0.527 149 F N 1.867 121.674 119.950 -0.239 0.000 2.384 149 F HA 0.613 5.141 4.527 0.002 0.000 0.338 149 F C 1.036 176.576 175.800 -0.434 0.000 1.103 149 F CA -0.060 57.755 58.000 -0.309 0.000 1.157 149 F CB 1.176 39.933 39.000 -0.404 0.000 1.167 149 F HN 0.168 nan 8.300 nan 0.000 0.529 150 K N 1.247 121.661 120.400 0.023 0.000 2.433 150 K HA 0.443 4.764 4.320 0.002 0.000 0.252 150 K C -1.216 175.484 176.600 0.168 0.000 1.015 150 K CA -1.064 55.186 56.287 -0.062 0.000 0.860 150 K CB 1.456 33.911 32.500 -0.074 0.000 1.359 150 K HN 0.484 nan 8.250 nan 0.000 0.452 151 H N 0.495 119.799 119.070 0.391 0.000 2.768 151 H HA 0.381 4.938 4.556 0.002 0.000 0.219 151 H C -0.563 174.865 175.328 0.166 0.000 1.898 151 H CA -0.403 55.805 56.048 0.265 0.000 1.313 151 H CB -0.478 29.401 29.762 0.196 0.000 1.701 151 H HN 0.224 nan 8.280 nan 0.000 0.534 152 V N 1.224 121.244 119.914 0.177 0.000 3.188 152 V HA 0.557 4.678 4.120 0.002 0.000 0.305 152 V C -1.081 175.079 176.094 0.111 0.000 1.232 152 V CA -0.920 61.453 62.300 0.121 0.000 1.043 152 V CB 3.188 35.060 31.823 0.082 0.000 1.068 152 V HN 0.358 nan 8.190 nan 0.000 0.439 153 V N 1.259 121.221 119.914 0.081 0.000 2.795 153 V HA 0.452 4.573 4.120 0.002 0.000 0.272 153 V C -2.748 173.377 176.094 0.051 0.000 1.130 153 V CA -1.513 60.831 62.300 0.073 0.000 0.931 153 V CB 0.664 32.532 31.823 0.076 0.000 1.062 153 V HN 0.760 nan 8.190 nan 0.000 0.476 154 P HA -0.035 nan 4.420 nan 0.000 0.252 154 P C 0.381 177.700 177.300 0.031 0.000 1.136 154 P CA 0.794 63.916 63.100 0.036 0.000 0.778 154 P CB 0.079 31.802 31.700 0.037 0.000 0.722 155 N N 4.465 123.179 118.700 0.024 0.000 2.131 155 N HA -0.163 4.578 4.740 0.002 0.000 0.276 155 N C 0.613 176.135 175.510 0.020 0.000 1.295 155 N CA 1.068 54.129 53.050 0.018 0.000 0.818 155 N CB 0.089 38.584 38.487 0.013 0.000 1.049 155 N HN 0.539 nan 8.380 nan 0.000 0.484 156 E N -2.009 118.203 120.200 0.020 0.000 4.341 156 E HA -0.128 4.223 4.350 0.002 0.000 0.365 156 E C -0.741 175.875 176.600 0.027 0.000 0.654 156 E CA -0.035 56.378 56.400 0.021 0.000 1.490 156 E CB -1.211 28.501 29.700 0.020 0.000 1.804 156 E HN 0.346 nan 8.360 nan 0.000 0.362 157 V N 1.364 121.296 119.914 0.030 0.000 2.655 157 V HA 0.128 4.249 4.120 0.002 0.000 0.300 157 V C 0.981 177.097 176.094 0.037 0.000 1.044 157 V CA -0.184 62.139 62.300 0.038 0.000 1.095 157 V CB 1.245 33.096 31.823 0.046 0.000 0.952 157 V HN 0.018 nan 8.190 nan 0.000 0.485 158 V N 5.564 125.503 119.914 0.041 0.000 2.465 158 V HA 0.531 4.652 4.120 0.002 0.000 0.279 158 V C 0.055 176.175 176.094 0.043 0.000 1.045 158 V CA -0.023 62.301 62.300 0.040 0.000 0.938 158 V CB 1.602 33.449 31.823 0.039 0.000 0.986 158 V HN 0.789 nan 8.190 nan 0.000 0.467 159 V N 5.520 125.456 119.914 0.038 0.000 2.888 159 V HA 0.700 4.821 4.120 0.002 0.000 0.309 159 V C -0.995 175.118 176.094 0.031 0.000 1.114 159 V CA -0.306 62.014 62.300 0.034 0.000 0.940 159 V CB 2.000 33.841 31.823 0.030 0.000 1.021 159 V HN 0.981 nan 8.190 nan 0.000 0.426 160 Q N 5.876 125.690 119.800 0.022 0.000 2.709 160 Q HA 0.574 4.915 4.340 0.002 0.000 0.232 160 Q C -0.977 175.024 176.000 0.001 0.000 0.856 160 Q CA -0.647 55.165 55.803 0.014 0.000 0.788 160 Q CB 1.238 29.981 28.738 0.008 0.000 1.386 160 Q HN 1.009 nan 8.270 nan 0.000 0.453 161 R N 2.024 122.525 120.500 0.002 0.000 2.817 161 R HA 0.691 5.032 4.340 0.002 0.000 0.268 161 R C -1.666 174.629 176.300 -0.007 0.000 1.027 161 R CA -1.022 55.072 56.100 -0.010 0.000 0.928 161 R CB 1.498 31.789 30.300 -0.016 0.000 1.228 161 R HN 0.358 nan 8.270 nan 0.000 0.469 162 L N 2.200 123.412 121.223 -0.018 0.000 2.362 162 L HA 0.540 4.881 4.340 0.002 0.000 0.275 162 L C -1.535 175.327 176.870 -0.015 0.000 0.998 162 L CA -1.185 53.643 54.840 -0.020 0.000 0.820 162 L CB 1.916 43.939 42.059 -0.061 0.000 1.270 162 L HN 0.577 nan 8.230 nan 0.000 0.415 163 L N 4.287 125.504 121.223 -0.009 0.000 2.333 163 L HA 0.447 4.788 4.340 0.002 0.000 0.280 163 L C -0.243 176.562 176.870 -0.108 0.000 1.004 163 L CA -0.201 54.610 54.840 -0.049 0.000 0.820 163 L CB 1.793 43.815 42.059 -0.061 0.000 1.247 163 L HN 0.546 nan 8.230 nan 0.000 0.416 164 Q N 2.745 122.430 119.800 -0.192 0.000 2.303 164 Q HA 0.516 4.857 4.340 0.002 0.000 0.257 164 Q C -1.402 174.359 176.000 -0.399 0.000 0.941 164 Q CA -0.619 54.873 55.803 -0.520 0.000 0.931 164 Q CB 1.644 30.165 28.738 -0.362 0.000 1.215 164 Q HN 0.493 nan 8.270 nan 0.000 0.437 165 V N 4.747 124.385 119.914 -0.460 0.000 2.394 165 V HA 0.475 4.596 4.120 0.002 0.000 0.282 165 V C -0.399 175.559 176.094 -0.227 0.000 1.031 165 V CA -0.520 61.618 62.300 -0.270 0.000 0.881 165 V CB 1.446 33.153 31.823 -0.194 0.000 0.982 165 V HN 0.733 nan 8.190 nan 0.000 0.451 166 K N 2.622 122.926 120.400 -0.160 0.000 2.482 166 K HA 0.741 5.062 4.320 0.002 0.000 0.251 166 K C -0.282 176.276 176.600 -0.070 0.000 0.936 166 K CA -0.155 56.070 56.287 -0.103 0.000 0.791 166 K CB 2.200 34.646 32.500 -0.090 0.000 1.213 166 K HN 1.135 nan 8.250 nan 0.000 0.428 167 G N 1.864 110.647 108.800 -0.028 0.000 2.627 167 G HA2 -0.099 3.862 3.960 0.002 0.000 0.680 167 G HA3 -0.099 3.862 3.960 0.002 0.000 0.680 167 G C -0.617 174.309 174.900 0.043 0.000 1.341 167 G CA -0.714 44.386 45.100 -0.000 0.000 0.835 167 G HN 0.619 nan 8.290 nan 0.000 0.643 168 R N 0.075 120.633 120.500 0.098 0.000 2.102 168 R HA 0.193 4.534 4.340 0.002 0.000 0.208 168 R C 2.758 179.203 176.300 0.241 0.000 1.131 168 R CA 1.024 57.260 56.100 0.226 0.000 1.054 168 R CB -0.098 30.333 30.300 0.218 0.000 0.954 168 R HN 0.535 nan 8.270 nan 0.000 0.465 169 R N -0.183 120.399 120.500 0.137 0.000 2.087 169 R HA 0.128 4.469 4.340 0.002 0.000 0.216 169 R C 0.662 176.994 176.300 0.052 0.000 1.114 169 R CA 0.512 56.675 56.100 0.104 0.000 1.002 169 R CB -0.544 29.792 30.300 0.060 0.000 0.903 169 R HN 0.133 nan 8.270 nan 0.000 0.445 170 V N 3.169 123.099 119.914 0.028 0.000 2.350 170 V HA 0.426 4.547 4.120 0.002 0.000 0.285 170 V C -0.403 175.676 176.094 -0.025 0.000 1.014 170 V CA -0.994 61.307 62.300 0.000 0.000 0.831 170 V CB 1.520 33.345 31.823 0.004 0.000 1.000 170 V HN 0.061 nan 8.190 nan 0.000 0.433 171 V N 7.277 127.161 119.914 -0.050 0.000 2.509 171 V HA 0.725 4.846 4.120 0.002 0.000 0.284 171 V C -0.165 175.840 176.094 -0.149 0.000 1.047 171 V CA -0.391 61.856 62.300 -0.089 0.000 0.952 171 V CB 1.410 33.175 31.823 -0.097 0.000 0.988 171 V HN 0.994 nan 8.190 nan 0.000 0.469 172 R N 5.058 125.448 120.500 -0.183 0.000 2.473 172 R HA 0.705 5.046 4.340 0.002 0.000 0.303 172 R C -0.565 175.571 176.300 -0.274 0.000 1.002 172 R CA -0.272 55.643 56.100 -0.308 0.000 0.884 172 R CB 2.004 32.133 30.300 -0.285 0.000 1.173 172 R HN 0.979 nan 8.270 nan 0.000 0.464 173 A N 2.656 125.297 122.820 -0.298 0.000 2.279 173 A HA 0.352 4.673 4.320 0.002 0.000 0.306 173 A C -0.165 177.295 177.584 -0.206 0.000 1.300 173 A CA -0.245 51.657 52.037 -0.226 0.000 0.925 173 A CB 0.529 19.415 19.000 -0.189 0.000 1.152 173 A HN 0.553 nan 8.150 nan 0.000 0.544 174 T N 3.024 117.507 114.554 -0.119 0.000 2.767 174 T HA 0.246 4.597 4.350 0.002 0.000 0.288 174 T C 0.006 174.705 174.700 -0.003 0.000 0.963 174 T CA -0.296 61.807 62.100 0.005 0.000 1.019 174 T CB 0.773 69.694 68.868 0.088 0.000 0.923 174 T HN 0.701 nan 8.240 nan 0.000 0.468 175 E N 2.228 122.442 120.200 0.023 0.000 2.415 175 E HA 0.296 4.647 4.350 0.002 0.000 0.260 175 E C 0.196 176.815 176.600 0.033 0.000 1.016 175 E CA -0.280 56.128 56.400 0.014 0.000 0.924 175 E CB 0.510 30.219 29.700 0.015 0.000 0.961 175 E HN 0.478 nan 8.360 nan 0.000 0.459 176 V N 0.859 120.782 119.914 0.017 0.000 3.074 176 V HA 0.584 4.705 4.120 0.002 0.000 0.314 176 V C -2.645 173.453 176.094 0.006 0.000 1.117 176 V CA -3.013 59.302 62.300 0.025 0.000 1.014 176 V CB 1.451 33.296 31.823 0.037 0.000 1.057 176 V HN 0.408 nan 8.190 nan 0.000 0.438 177 P HA 0.130 nan 4.420 nan 0.000 0.265 177 P C -0.280 177.003 177.300 -0.027 0.000 1.187 177 P CA 0.074 63.174 63.100 0.000 0.000 0.766 177 P CB 0.396 32.104 31.700 0.014 0.000 0.820 178 V N 3.481 123.371 119.914 -0.039 0.000 2.341 178 V HA 0.292 4.413 4.120 0.002 0.000 0.248 178 V C 0.617 176.649 176.094 -0.103 0.000 1.107 178 V CA 0.950 63.205 62.300 -0.075 0.000 1.069 178 V CB -0.884 30.896 31.823 -0.071 0.000 1.177 178 V HN 0.702 nan 8.190 nan 0.000 0.492 179 S N 3.262 118.893 115.700 -0.116 0.000 2.580 179 S HA 0.282 4.752 4.470 0.002 0.000 0.281 179 S C -0.236 174.334 174.600 -0.051 0.000 1.129 179 S CA -0.717 57.415 58.200 -0.114 0.000 0.862 179 S CB 0.662 63.851 63.200 -0.019 0.000 1.090 179 S HN 0.517 nan 8.310 nan 0.000 0.451 180 W N 1.848 123.117 121.300 -0.052 0.000 2.421 180 W HA 0.030 4.691 4.660 0.001 0.000 0.270 180 W C 1.972 178.482 176.519 -0.015 0.000 1.233 180 W CA 0.784 58.041 57.345 -0.147 0.000 1.226 180 W CB 0.079 29.372 29.460 -0.278 0.000 1.121 180 W HN 0.773 nan 8.180 nan 0.000 0.579 181 E N -0.299 120.023 120.200 0.203 0.000 2.268 181 E HA -0.142 4.209 4.350 0.002 0.000 0.195 181 E C 1.949 178.622 176.600 0.121 0.000 0.995 181 E CA 1.245 57.727 56.400 0.137 0.000 0.836 181 E CB -0.270 29.485 29.700 0.091 0.000 0.763 181 E HN 0.168 nan 8.360 nan 0.000 0.491 182 S N 0.347 116.106 115.700 0.098 0.000 2.453 182 S HA 0.003 4.474 4.470 0.002 0.000 0.231 182 S C 0.549 175.139 174.600 -0.016 0.000 1.005 182 S CA 0.415 58.639 58.200 0.040 0.000 0.949 182 S CB -0.053 63.121 63.200 -0.043 0.000 0.774 182 S HN 0.079 nan 8.310 nan 0.000 0.510 183 F N 2.798 122.585 119.950 -0.272 0.000 2.378 183 F HA 0.400 4.927 4.527 0.001 0.000 0.319 183 F C 0.735 176.499 175.800 -0.059 0.000 1.155 183 F CA -0.584 57.055 58.000 -0.600 0.000 1.157 183 F CB 0.660 39.273 39.000 -0.645 0.000 1.252 183 F HN 0.195 nan 8.300 nan 0.000 0.550 184 N N -1.142 117.764 118.700 0.343 0.000 2.934 184 N HA 0.213 4.954 4.740 0.002 0.000 0.253 184 N C -0.845 174.986 175.510 0.535 0.000 1.466 184 N CA -0.918 52.364 53.050 0.386 0.000 0.858 184 N CB 0.356 39.046 38.487 0.337 0.000 1.459 184 N HN 0.334 nan 8.380 nan 0.000 0.532 185 N N -2.103 116.832 118.700 0.393 0.000 2.398 185 N HA 0.193 4.934 4.740 0.002 0.000 0.188 185 N C 0.884 176.574 175.510 0.300 0.000 1.122 185 N CA 0.521 53.798 53.050 0.380 0.000 0.866 185 N CB 0.072 38.697 38.487 0.230 0.000 0.970 185 N HN 0.705 nan 8.380 nan 0.000 0.462 186 G N -0.889 108.098 108.800 0.311 0.000 2.651 186 G HA2 0.049 4.010 3.960 0.002 0.000 0.207 186 G HA3 0.049 4.010 3.960 0.002 0.000 0.207 186 G C 0.200 175.236 174.900 0.226 0.000 1.131 186 G CA -0.089 45.143 45.100 0.220 0.000 0.816 186 G HN 0.210 nan 8.290 nan 0.000 0.534 187 D N -0.519 120.071 120.400 0.318 0.000 2.432 187 D HA 0.441 5.082 4.640 0.002 0.000 0.258 187 D C -0.224 176.239 176.300 0.272 0.000 1.146 187 D CA -0.272 53.831 54.000 0.171 0.000 1.015 187 D CB 1.532 42.299 40.800 -0.055 0.000 1.107 187 D HN -0.009 nan 8.370 nan 0.000 0.529 188 c N 0.579 119.203 118.600 0.040 0.000 2.366 188 c HA 0.610 5.181 4.570 0.002 0.000 0.345 188 c C -0.359 173.640 174.090 -0.153 0.000 1.209 188 c CA -0.520 55.902 56.329 0.155 0.000 2.050 188 c CB -0.413 42.140 42.510 0.072 0.000 2.359 188 c HN 0.342 nan 8.230 nan 0.000 0.527 189 F N 1.501 121.609 119.950 0.263 0.000 2.588 189 F HA 0.695 5.223 4.527 0.002 0.000 0.314 189 F C -0.059 175.827 175.800 0.143 0.000 1.069 189 F CA -0.809 57.227 58.000 0.059 0.000 0.931 189 F CB 1.058 39.898 39.000 -0.267 0.000 1.260 189 F HN 0.245 nan 8.300 nan 0.000 0.465 190 I N 3.447 124.141 120.570 0.207 0.000 2.439 190 I HA 0.296 4.467 4.170 0.002 0.000 0.285 190 I C -1.330 174.879 176.117 0.153 0.000 1.021 190 I CA -0.750 60.660 61.300 0.183 0.000 1.091 190 I CB 1.873 39.924 38.000 0.086 0.000 1.242 190 I HN 0.312 nan 8.210 nan 0.000 0.439 191 L N 6.641 127.990 121.223 0.211 0.000 2.270 191 L HA 0.393 4.734 4.340 0.002 0.000 0.286 191 L C -0.264 176.719 176.870 0.187 0.000 1.059 191 L CA 0.089 55.021 54.840 0.153 0.000 0.839 191 L CB 0.368 42.498 42.059 0.118 0.000 1.221 191 L HN 0.413 nan 8.230 nan 0.000 0.431 192 D N 4.303 124.766 120.400 0.106 0.000 2.365 192 D HA 0.126 4.767 4.640 0.002 0.000 0.237 192 D C 0.280 176.634 176.300 0.089 0.000 1.190 192 D CA -0.110 53.941 54.000 0.086 0.000 0.867 192 D CB 1.046 41.867 40.800 0.036 0.000 1.050 192 D HN 0.443 nan 8.370 nan 0.000 0.491 193 L N 3.272 124.573 121.223 0.130 0.000 2.769 193 L HA 0.350 4.691 4.340 0.002 0.000 0.240 193 L C 1.658 178.576 176.870 0.078 0.000 1.163 193 L CA 0.504 55.416 54.840 0.120 0.000 0.962 193 L CB -0.026 42.162 42.059 0.214 0.000 1.258 193 L HN 0.795 nan 8.230 nan 0.000 0.513 194 G N 0.207 109.038 108.800 0.050 0.000 4.933 194 G HA2 -0.373 3.588 3.960 0.002 0.000 0.285 194 G HA3 -0.373 3.588 3.960 0.002 0.000 0.285 194 G C 1.178 176.088 174.900 0.016 0.000 1.596 194 G CA 0.342 45.460 45.100 0.031 0.000 1.081 194 G HN 0.328 nan 8.290 nan 0.000 0.710 195 N N 1.889 120.602 118.700 0.021 0.000 2.459 195 N HA 0.044 4.785 4.740 0.002 0.000 0.181 195 N C -0.063 175.435 175.510 -0.020 0.000 1.046 195 N CA 0.513 53.566 53.050 0.005 0.000 0.904 195 N CB -0.021 38.476 38.487 0.016 0.000 0.964 195 N HN 0.382 nan 8.380 nan 0.000 0.444 196 N N 0.736 119.424 118.700 -0.021 0.000 2.352 196 N HA 0.339 5.080 4.740 0.002 0.000 0.291 196 N C -1.345 174.051 175.510 -0.189 0.000 1.040 196 N CA -0.305 52.657 53.050 -0.146 0.000 0.864 196 N CB 2.440 40.863 38.487 -0.108 0.000 1.440 196 N HN -0.060 nan 8.380 nan 0.000 0.483 197 I N 2.474 122.874 120.570 -0.283 0.000 2.362 197 I HA 0.290 4.461 4.170 0.002 0.000 0.289 197 I C -0.961 175.018 176.117 -0.230 0.000 0.994 197 I CA -0.652 60.562 61.300 -0.143 0.000 1.158 197 I CB 0.851 38.812 38.000 -0.064 0.000 1.315 197 I HN 0.358 nan 8.210 nan 0.000 0.451 198 Y N 5.120 125.509 120.300 0.148 0.000 2.478 198 Y HA 0.308 4.859 4.550 0.002 0.000 0.329 198 Y C 0.278 176.350 175.900 0.288 0.000 0.967 198 Y CA -0.502 57.746 58.100 0.246 0.000 1.255 198 Y CB 0.950 39.510 38.460 0.167 0.000 1.103 198 Y HN 0.486 nan 8.280 nan 0.000 0.497 199 Q N 3.794 123.838 119.800 0.407 0.000 2.314 199 Q HA 0.137 4.478 4.340 0.002 0.000 0.257 199 Q C -1.328 174.988 176.000 0.527 0.000 0.975 199 Q CA -0.512 55.513 55.803 0.369 0.000 0.933 199 Q CB 0.800 29.660 28.738 0.203 0.000 1.195 199 Q HN 0.800 nan 8.270 nan 0.000 0.426 200 W N 4.816 126.331 121.300 0.358 0.000 2.573 200 W HA 0.516 5.177 4.660 0.002 0.000 0.326 200 W C -1.529 175.211 176.519 0.369 0.000 1.049 200 W CA -0.444 57.142 57.345 0.403 0.000 1.220 200 W CB 1.156 30.905 29.460 0.482 0.000 1.373 200 W HN 0.589 nan 8.180 nan 0.000 0.507 201 c N 5.240 123.752 118.600 -0.146 0.000 2.431 201 c HA 0.659 5.230 4.570 0.002 0.000 0.321 201 c C 1.005 174.713 174.090 -0.637 0.000 1.202 201 c CA -0.600 55.636 56.329 -0.155 0.000 1.398 201 c CB 0.500 42.982 42.510 -0.047 0.000 2.047 201 c HN 0.911 nan 8.230 nan 0.000 0.465 202 G N 2.104 110.698 108.800 -0.343 0.000 2.690 202 G HA2 0.281 4.242 3.960 0.002 0.000 0.239 202 G HA3 0.281 4.242 3.960 0.002 0.000 0.239 202 G C 1.079 175.881 174.900 -0.164 0.000 1.233 202 G CA 0.538 45.479 45.100 -0.264 0.000 0.847 202 G HN 1.020 nan 8.290 nan 0.000 0.588 203 S N -0.076 115.576 115.700 -0.079 0.000 2.383 203 S HA -0.053 4.418 4.470 0.002 0.000 0.227 203 S C 1.550 176.154 174.600 0.005 0.000 1.026 203 S CA 0.942 59.117 58.200 -0.041 0.000 0.981 203 S CB 0.006 63.202 63.200 -0.006 0.000 0.818 203 S HN 0.539 nan 8.310 nan 0.000 0.472 204 K N 2.657 123.085 120.400 0.046 0.000 2.504 204 K HA 0.167 4.488 4.320 0.002 0.000 0.199 204 K C 0.417 177.056 176.600 0.065 0.000 1.028 204 K CA 0.159 56.481 56.287 0.058 0.000 1.164 204 K CB 0.062 32.609 32.500 0.078 0.000 0.877 204 K HN 0.578 nan 8.250 nan 0.000 0.508 205 S N 1.823 117.554 115.700 0.052 0.000 2.523 205 S HA 0.099 4.570 4.470 0.002 0.000 0.275 205 S C 0.143 174.774 174.600 0.053 0.000 1.281 205 S CA -0.940 57.296 58.200 0.061 0.000 1.050 205 S CB 1.004 64.234 63.200 0.051 0.000 0.937 205 S HN 0.289 nan 8.310 nan 0.000 0.492 206 N N 2.901 121.645 118.700 0.074 0.000 2.483 206 N HA 0.160 4.901 4.740 0.002 0.000 0.269 206 N C 0.709 176.277 175.510 0.097 0.000 1.209 206 N CA -0.536 52.567 53.050 0.087 0.000 0.969 206 N CB 0.632 39.184 38.487 0.109 0.000 1.173 206 N HN 0.755 nan 8.380 nan 0.000 0.475 207 R N 0.848 121.411 120.500 0.105 0.000 2.189 207 R HA -0.054 4.286 4.340 0.002 0.000 0.218 207 R C 1.567 177.946 176.300 0.133 0.000 1.074 207 R CA 0.837 56.993 56.100 0.094 0.000 0.991 207 R CB -0.335 30.016 30.300 0.085 0.000 0.883 207 R HN 0.563 nan 8.270 nan 0.000 0.457 208 F N 2.135 122.112 119.950 0.046 0.000 2.146 208 F HA -0.123 4.404 4.527 0.001 0.000 0.298 208 F C 1.878 177.701 175.800 0.037 0.000 1.096 208 F CA 1.506 59.539 58.000 0.056 0.000 1.275 208 F CB 0.035 39.079 39.000 0.073 0.000 1.008 208 F HN -0.107 nan 8.300 nan 0.000 0.480 209 E N -0.223 120.035 120.200 0.096 0.000 2.110 209 E HA -0.198 4.153 4.350 0.002 0.000 0.193 209 E C 2.281 178.838 176.600 -0.072 0.000 0.988 209 E CA 1.250 57.644 56.400 -0.009 0.000 0.804 209 E CB -0.080 29.657 29.700 0.062 0.000 0.745 209 E HN 0.368 nan 8.360 nan 0.000 0.458 210 R N -0.032 120.446 120.500 -0.037 0.000 2.075 210 R HA -0.121 4.220 4.340 0.002 0.000 0.232 210 R C 2.412 178.661 176.300 -0.085 0.000 1.126 210 R CA 0.946 57.022 56.100 -0.040 0.000 0.963 210 R CB -0.411 29.879 30.300 -0.016 0.000 0.858 210 R HN 0.147 nan 8.270 nan 0.000 0.435 211 L N 1.657 122.803 121.223 -0.130 0.000 2.042 211 L HA -0.211 4.130 4.340 0.002 0.000 0.210 211 L C 1.872 178.619 176.870 -0.204 0.000 1.076 211 L CA 1.898 56.638 54.840 -0.166 0.000 0.749 211 L CB -0.221 41.713 42.059 -0.208 0.000 0.893 211 L HN -0.056 nan 8.230 nan 0.000 0.432 212 K N -0.009 120.220 120.400 -0.285 0.000 2.026 212 K HA -0.019 4.302 4.320 0.002 0.000 0.208 212 K C 2.166 178.678 176.600 -0.146 0.000 1.048 212 K CA 1.474 57.616 56.287 -0.240 0.000 0.929 212 K CB -0.999 31.338 32.500 -0.272 0.000 0.713 212 K HN 0.470 nan 8.250 nan 0.000 0.439 213 A N 1.007 123.759 122.820 -0.113 0.000 1.978 213 A HA -0.157 4.164 4.320 0.002 0.000 0.220 213 A C 2.334 179.883 177.584 -0.058 0.000 1.170 213 A CA 2.235 54.228 52.037 -0.073 0.000 0.636 213 A CB -0.949 18.031 19.000 -0.033 0.000 0.810 213 A HN 0.341 nan 8.150 nan 0.000 0.448 214 T N -0.117 114.398 114.554 -0.065 0.000 2.746 214 T HA -0.179 4.172 4.350 0.002 0.000 0.267 214 T C 2.040 176.699 174.700 -0.068 0.000 1.039 214 T CA 1.730 63.795 62.100 -0.058 0.000 1.142 214 T CB -0.263 68.566 68.868 -0.065 0.000 0.866 214 T HN 0.643 nan 8.240 nan 0.000 0.444 215 Q N 0.154 119.903 119.800 -0.086 0.000 2.135 215 Q HA -0.092 4.249 4.340 0.002 0.000 0.204 215 Q C 2.485 178.438 176.000 -0.079 0.000 0.981 215 Q CA 1.169 56.922 55.803 -0.084 0.000 0.856 215 Q CB -0.317 28.362 28.738 -0.098 0.000 0.902 215 Q HN 0.346 nan 8.270 nan 0.000 0.425 216 V N -0.176 119.689 119.914 -0.082 0.000 2.379 216 V HA -0.223 3.898 4.120 0.002 0.000 0.245 216 V C 2.140 178.194 176.094 -0.066 0.000 1.044 216 V CA 1.754 64.005 62.300 -0.082 0.000 1.036 216 V CB -0.384 31.383 31.823 -0.093 0.000 0.664 216 V HN 0.273 nan 8.190 nan 0.000 0.453 217 S N -0.575 115.096 115.700 -0.050 0.000 2.356 217 S HA -0.250 4.221 4.470 0.002 0.000 0.223 217 S C 2.043 176.616 174.600 -0.046 0.000 1.032 217 S CA 1.877 60.055 58.200 -0.035 0.000 1.005 217 S CB -0.297 62.893 63.200 -0.017 0.000 0.867 217 S HN 0.558 nan 8.310 nan 0.000 0.449 218 K N 0.725 121.094 120.400 -0.052 0.000 2.063 218 K HA -0.126 4.195 4.320 0.002 0.000 0.208 218 K C 2.208 178.773 176.600 -0.057 0.000 1.048 218 K CA 1.408 57.662 56.287 -0.055 0.000 0.928 218 K CB -0.611 31.854 32.500 -0.058 0.000 0.713 218 K HN 0.386 nan 8.250 nan 0.000 0.442 219 G N 1.259 110.022 108.800 -0.063 0.000 2.440 219 G HA2 -0.245 3.716 3.960 0.002 0.000 0.218 219 G HA3 -0.245 3.716 3.960 0.002 0.000 0.218 219 G C 1.489 176.349 174.900 -0.066 0.000 1.154 219 G CA 1.076 46.135 45.100 -0.067 0.000 0.767 219 G HN 0.282 nan 8.290 nan 0.000 0.552 220 I N -0.027 120.505 120.570 -0.062 0.000 2.252 220 I HA -0.116 4.055 4.170 0.002 0.000 0.245 220 I C 2.829 178.917 176.117 -0.048 0.000 1.102 220 I CA 1.018 62.285 61.300 -0.056 0.000 1.385 220 I CB -0.209 37.762 38.000 -0.048 0.000 1.064 220 I HN 0.105 nan 8.210 nan 0.000 0.414 221 R N 0.922 121.394 120.500 -0.047 0.000 2.073 221 R HA -0.192 4.149 4.340 0.002 0.000 0.234 221 R C 1.766 178.039 176.300 -0.044 0.000 1.134 221 R CA 2.065 58.139 56.100 -0.044 0.000 0.952 221 R CB -0.153 30.119 30.300 -0.047 0.000 0.850 221 R HN 0.298 nan 8.270 nan 0.000 0.433 222 D N -0.159 120.212 120.400 -0.049 0.000 2.123 222 D HA -0.078 4.563 4.640 0.002 0.000 0.200 222 D C 1.411 177.679 176.300 -0.053 0.000 0.976 222 D CA 0.998 54.967 54.000 -0.051 0.000 0.831 222 D CB -0.157 40.610 40.800 -0.055 0.000 0.974 222 D HN 0.284 nan 8.370 nan 0.000 0.469 223 N N 0.521 119.186 118.700 -0.058 0.000 2.428 223 N HA 0.011 4.752 4.740 0.002 0.000 0.181 223 N C 0.602 176.079 175.510 -0.055 0.000 1.028 223 N CA 0.364 53.376 53.050 -0.064 0.000 0.877 223 N CB 0.385 38.826 38.487 -0.076 0.000 1.064 223 N HN 0.330 nan 8.380 nan 0.000 0.434 224 E N 0.720 120.891 120.200 -0.049 0.000 2.322 224 E HA 0.281 4.632 4.350 0.002 0.000 0.257 224 E C 0.332 176.915 176.600 -0.029 0.000 1.155 224 E CA -0.625 55.755 56.400 -0.033 0.000 0.936 224 E CB 0.841 30.522 29.700 -0.032 0.000 1.130 224 E HN -0.059 nan 8.360 nan 0.000 0.465 225 R N -0.757 119.732 120.500 -0.018 0.000 4.002 225 R HA -0.216 4.125 4.340 0.002 0.000 0.443 225 R C 0.072 176.360 176.300 -0.020 0.000 0.770 225 R CA 1.156 57.246 56.100 -0.017 0.000 1.648 225 R CB -2.563 27.724 30.300 -0.021 0.000 2.287 225 R HN 0.706 nan 8.270 nan 0.000 0.454 226 S N -0.831 114.853 115.700 -0.027 0.000 3.706 226 S HA -0.105 4.366 4.470 0.002 0.000 0.363 226 S C 1.060 175.642 174.600 -0.029 0.000 0.999 226 S CA 1.881 60.064 58.200 -0.029 0.000 1.143 226 S CB -1.694 61.492 63.200 -0.023 0.000 0.902 226 S HN 1.503 nan 8.310 nan 0.000 0.476 227 G N 0.219 108.999 108.800 -0.033 0.000 2.200 227 G HA2 -0.374 3.587 3.960 0.002 0.000 0.267 227 G HA3 -0.374 3.587 3.960 0.002 0.000 0.267 227 G C 0.209 175.092 174.900 -0.029 0.000 0.993 227 G CA 0.854 45.934 45.100 -0.033 0.000 0.701 227 G HN 0.648 nan 8.290 nan 0.000 0.524 228 R N 0.353 120.839 120.500 -0.025 0.000 3.863 228 R HA 0.685 5.026 4.340 0.002 0.000 0.304 228 R C 0.429 176.717 176.300 -0.021 0.000 1.485 228 R CA 0.752 56.840 56.100 -0.020 0.000 1.355 228 R CB -0.120 30.172 30.300 -0.014 0.000 1.457 228 R HN 0.981 nan 8.270 nan 0.000 0.669 229 A N 0.041 122.843 122.820 -0.029 0.000 2.605 229 A HA 0.480 4.801 4.320 0.002 0.000 0.294 229 A C -1.719 175.835 177.584 -0.049 0.000 1.062 229 A CA -0.719 51.297 52.037 -0.036 0.000 0.682 229 A CB 1.512 20.490 19.000 -0.036 0.000 1.278 229 A HN 0.101 nan 8.150 nan 0.000 0.410 230 Q N 1.258 121.019 119.800 -0.066 0.000 2.400 230 Q HA 0.532 4.873 4.340 0.002 0.000 0.255 230 Q C -1.250 174.677 176.000 -0.122 0.000 1.008 230 Q CA -0.271 55.484 55.803 -0.080 0.000 0.841 230 Q CB 1.021 29.717 28.738 -0.069 0.000 1.220 230 Q HN 0.604 nan 8.270 nan 0.000 0.474 231 V N 4.134 123.990 119.914 -0.098 0.000 2.427 231 V HA 0.395 4.516 4.120 0.002 0.000 0.268 231 V C -0.121 175.912 176.094 -0.103 0.000 1.046 231 V CA -0.172 62.066 62.300 -0.102 0.000 0.970 231 V CB 0.537 32.321 31.823 -0.067 0.000 1.001 231 V HN 0.865 nan 8.190 nan 0.000 0.476 232 S N 4.554 120.184 115.700 -0.116 0.000 2.537 232 S HA 0.818 5.289 4.470 0.002 0.000 0.301 232 S C -0.572 174.016 174.600 -0.020 0.000 1.092 232 S CA -0.815 57.331 58.200 -0.089 0.000 1.048 232 S CB 2.175 65.380 63.200 0.009 0.000 1.053 232 S HN 0.734 nan 8.310 nan 0.000 0.501 233 V N 2.757 122.510 119.914 -0.267 0.000 2.789 233 V HA 0.867 4.988 4.120 0.002 0.000 0.311 233 V C -1.991 173.848 176.094 -0.424 0.000 1.073 233 V CA -0.776 61.451 62.300 -0.123 0.000 0.921 233 V CB 1.229 33.017 31.823 -0.059 0.000 1.009 233 V HN 0.905 nan 8.190 nan 0.000 0.426 234 F N 2.772 122.786 119.950 0.106 0.000 2.650 234 F HA 0.722 5.250 4.527 0.002 0.000 0.320 234 F C 0.104 175.866 175.800 -0.063 0.000 1.091 234 F CA -0.731 57.313 58.000 0.073 0.000 0.962 234 F CB 2.100 41.210 39.000 0.183 0.000 1.363 234 F HN 0.426 nan 8.300 nan 0.000 0.482 235 E N 0.262 120.509 120.200 0.077 0.000 2.277 235 E HA 0.190 4.541 4.350 0.002 0.000 0.266 235 E C -1.194 175.229 176.600 -0.295 0.000 0.901 235 E CA -0.995 55.289 56.400 -0.194 0.000 0.782 235 E CB 2.510 32.147 29.700 -0.106 0.000 1.228 235 E HN 0.605 nan 8.360 nan 0.000 0.424 236 E N 0.104 119.937 120.200 -0.612 0.000 2.568 236 E HA -0.013 4.338 4.350 0.002 0.000 0.262 236 E C 0.749 177.333 176.600 -0.026 0.000 0.961 236 E CA 1.419 57.634 56.400 -0.309 0.000 0.945 236 E CB 0.121 29.675 29.700 -0.243 0.000 0.924 236 E HN 0.758 nan 8.360 nan 0.000 0.467 237 G N 3.049 111.907 108.800 0.096 0.000 2.358 237 G HA2 -0.328 3.633 3.960 0.002 0.000 0.224 237 G HA3 -0.328 3.633 3.960 0.002 0.000 0.224 237 G C 0.612 175.560 174.900 0.081 0.000 1.073 237 G CA 0.202 45.336 45.100 0.057 0.000 0.635 237 G HN 0.960 nan 8.290 nan 0.000 0.509 238 A N 1.481 124.373 122.820 0.120 0.000 2.684 238 A HA 0.554 4.875 4.320 0.002 0.000 0.288 238 A C 0.762 178.451 177.584 0.175 0.000 1.337 238 A CA 0.648 52.783 52.037 0.163 0.000 0.946 238 A CB -0.239 18.890 19.000 0.215 0.000 1.093 238 A HN 0.600 nan 8.150 nan 0.000 0.543 239 E N 1.646 121.929 120.200 0.139 0.000 2.376 239 E HA 0.227 4.578 4.350 0.002 0.000 0.266 239 E C -2.608 173.916 176.600 -0.127 0.000 1.009 239 E CA -1.535 54.898 56.400 0.055 0.000 0.902 239 E CB 0.250 30.076 29.700 0.210 0.000 0.972 239 E HN 0.302 nan 8.360 nan 0.000 0.439 240 P HA 0.100 nan 4.420 nan 0.000 0.278 240 P C 0.634 177.789 177.300 -0.242 0.000 1.266 240 P CA -0.464 62.434 63.100 -0.337 0.000 0.807 240 P CB 1.188 32.530 31.700 -0.596 0.000 1.094 241 E N 0.492 120.608 120.200 -0.141 0.000 2.049 241 E HA -0.259 4.092 4.350 0.002 0.000 0.198 241 E C 1.925 178.425 176.600 -0.168 0.000 1.007 241 E CA 1.860 58.198 56.400 -0.104 0.000 0.809 241 E CB -0.542 29.133 29.700 -0.042 0.000 0.749 241 E HN 0.494 nan 8.360 nan 0.000 0.450 242 A N 0.835 123.510 122.820 -0.242 0.000 1.917 242 A HA -0.254 4.067 4.320 0.002 0.000 0.219 242 A C 2.182 179.524 177.584 -0.403 0.000 1.182 242 A CA 1.945 53.790 52.037 -0.321 0.000 0.633 242 A CB -0.580 18.145 19.000 -0.459 0.000 0.819 242 A HN 0.390 nan 8.150 nan 0.000 0.448 243 M N -1.381 117.903 119.600 -0.526 0.000 2.099 243 M HA -0.078 4.403 4.480 0.002 0.000 0.262 243 M C 1.688 177.820 176.300 -0.280 0.000 1.067 243 M CA 1.318 56.354 55.300 -0.441 0.000 1.124 243 M CB -0.103 32.239 32.600 -0.429 0.000 1.353 243 M HN 0.340 nan 8.290 nan 0.000 0.410 244 L N 0.168 121.293 121.223 -0.163 0.000 2.291 244 L HA -0.130 4.211 4.340 0.002 0.000 0.214 244 L C 2.251 179.084 176.870 -0.061 0.000 1.120 244 L CA 1.603 56.419 54.840 -0.039 0.000 0.799 244 L CB -1.198 40.855 42.059 -0.009 0.000 0.925 244 L HN 0.445 nan 8.230 nan 0.000 0.446 245 Q N -0.887 118.851 119.800 -0.104 0.000 2.049 245 Q HA -0.143 4.198 4.340 0.002 0.000 0.198 245 Q C 2.224 178.170 176.000 -0.089 0.000 0.971 245 Q CA 1.859 57.613 55.803 -0.081 0.000 0.833 245 Q CB 0.094 28.784 28.738 -0.081 0.000 0.896 245 Q HN 0.388 nan 8.270 nan 0.000 0.434 246 V N -1.144 118.690 119.914 -0.134 0.000 2.951 246 V HA 0.007 4.128 4.120 0.002 0.000 0.255 246 V C 1.490 177.482 176.094 -0.171 0.000 1.088 246 V CA 1.021 63.242 62.300 -0.133 0.000 1.109 246 V CB -0.033 31.711 31.823 -0.132 0.000 0.724 246 V HN 0.339 nan 8.190 nan 0.000 0.471 247 L N 0.889 121.972 121.223 -0.233 0.000 2.556 247 L HA 0.617 4.958 4.340 0.002 0.000 0.226 247 L C 1.328 178.151 176.870 -0.078 0.000 1.089 247 L CA 0.624 55.247 54.840 -0.362 0.000 0.864 247 L CB -0.184 41.319 42.059 -0.925 0.000 1.067 247 L HN 0.625 nan 8.230 nan 0.000 0.477 248 G N 0.814 109.631 108.800 0.029 0.000 2.757 248 G HA2 -0.166 3.795 3.960 0.002 0.000 0.638 248 G HA3 -0.166 3.795 3.960 0.002 0.000 0.638 248 G C -2.726 172.301 174.900 0.212 0.000 1.344 248 G CA -0.958 44.206 45.100 0.107 0.000 0.855 248 G HN -0.025 nan 8.290 nan 0.000 0.537 249 P HA 0.196 nan 4.420 nan 0.000 0.265 249 P C -0.222 176.986 177.300 -0.153 0.000 1.193 249 P CA 0.209 63.307 63.100 -0.004 0.000 0.765 249 P CB 0.679 32.352 31.700 -0.044 0.000 0.823 250 K N 5.268 125.420 120.400 -0.413 0.000 2.339 250 K HA 0.234 4.555 4.320 0.002 0.000 0.286 250 K C -1.805 174.339 176.600 -0.759 0.000 1.050 250 K CA -1.394 54.174 56.287 -1.197 0.000 0.956 250 K CB 0.082 31.868 32.500 -1.190 0.000 0.990 250 K HN 0.348 nan 8.250 nan 0.000 0.475 251 P HA 0.184 nan 4.420 nan 0.000 0.306 251 P C -0.813 176.289 177.300 -0.330 0.000 1.309 251 P CA -0.598 62.272 63.100 -0.385 0.000 0.759 251 P CB 0.348 31.895 31.700 -0.256 0.000 1.314 252 T N 0.537 114.980 114.554 -0.185 0.000 2.870 252 T HA 0.311 4.662 4.350 0.002 0.000 0.300 252 T C 0.282 174.927 174.700 -0.092 0.000 0.989 252 T CA 0.077 62.107 62.100 -0.118 0.000 1.139 252 T CB -0.333 68.496 68.868 -0.064 0.000 0.920 252 T HN 0.135 nan 8.240 nan 0.000 0.537 253 L N 5.148 126.341 121.223 -0.050 0.000 2.331 253 L HA 0.499 4.840 4.340 0.002 0.000 0.275 253 L C -1.878 175.032 176.870 0.067 0.000 1.022 253 L CA -2.347 52.503 54.840 0.016 0.000 0.812 253 L CB 1.221 43.319 42.059 0.066 0.000 1.257 253 L HN 0.434 nan 8.230 nan 0.000 0.435 254 P HA 0.171 nan 4.420 nan 0.000 0.275 254 P C -0.815 176.560 177.300 0.125 0.000 1.266 254 P CA -0.655 62.502 63.100 0.095 0.000 0.793 254 P CB 0.479 32.236 31.700 0.096 0.000 1.074 255 E N -0.414 119.851 120.200 0.107 0.000 2.390 255 E HA 0.324 4.675 4.350 0.002 0.000 0.261 255 E C 0.167 176.848 176.600 0.135 0.000 1.076 255 E CA -0.204 56.266 56.400 0.116 0.000 0.905 255 E CB 0.532 30.285 29.700 0.088 0.000 0.984 255 E HN 0.497 nan 8.360 nan 0.000 0.427 256 A N 2.137 125.047 122.820 0.149 0.000 2.386 256 A HA 0.222 4.543 4.320 0.002 0.000 0.246 256 A C 0.170 177.821 177.584 0.111 0.000 1.089 256 A CA -0.005 52.123 52.037 0.151 0.000 0.790 256 A CB 0.243 19.334 19.000 0.152 0.000 1.042 256 A HN 0.475 nan 8.150 nan 0.000 0.497 257 T N 1.274 115.889 114.554 0.102 0.000 2.795 257 T HA 0.477 4.828 4.350 0.002 0.000 0.282 257 T C -0.067 174.673 174.700 0.068 0.000 0.980 257 T CA -0.099 62.050 62.100 0.081 0.000 1.012 257 T CB 1.203 70.118 68.868 0.078 0.000 0.936 257 T HN 0.725 nan 8.240 nan 0.000 0.457 268 R N 0.987 121.529 120.500 0.071 0.000 2.790 268 R HA 0.285 4.626 4.340 0.002 0.000 0.274 268 R C 0.092 176.494 176.300 0.171 0.000 1.334 268 R CA -0.712 55.441 56.100 0.089 0.000 1.543 268 R CB 0.660 30.977 30.300 0.028 0.000 1.154 268 R HN 0.430 nan 8.270 nan 0.000 0.601 269 K N 1.535 122.048 120.400 0.188 0.000 2.590 269 K HA 0.184 4.505 4.320 0.002 0.000 0.218 269 K C -0.634 176.078 176.600 0.186 0.000 1.536 269 K CA -0.228 56.140 56.287 0.135 0.000 1.013 269 K CB 0.782 33.251 32.500 -0.052 0.000 1.265 269 K HN 0.309 nan 8.250 nan 0.000 0.603 270 L N 2.410 123.771 121.223 0.230 0.000 2.282 270 L HA 0.618 4.959 4.340 0.002 0.000 0.288 270 L C -0.354 176.684 176.870 0.281 0.000 1.033 270 L CA -0.663 54.306 54.840 0.214 0.000 0.807 270 L CB 1.746 43.904 42.059 0.166 0.000 1.209 270 L HN 0.228 nan 8.230 nan 0.000 0.423 271 A N 4.180 127.130 122.820 0.217 0.000 2.485 271 A HA 0.898 5.219 4.320 0.002 0.000 0.292 271 A C -1.108 176.671 177.584 0.325 0.000 1.147 271 A CA -0.740 51.444 52.037 0.245 0.000 0.750 271 A CB 1.770 20.784 19.000 0.024 0.000 1.331 271 A HN 0.641 nan 8.150 nan 0.000 0.419 272 K N -0.451 120.160 120.400 0.352 0.000 2.435 272 K HA 0.630 4.951 4.320 0.002 0.000 0.251 272 K C -1.769 174.773 176.600 -0.096 0.000 0.954 272 K CA -0.647 55.749 56.287 0.182 0.000 0.820 272 K CB 2.467 34.994 32.500 0.045 0.000 1.292 272 K HN 0.454 nan 8.250 nan 0.000 0.436 273 L N 1.990 122.829 121.223 -0.639 0.000 2.334 273 L HA 0.557 4.898 4.340 0.002 0.000 0.273 273 L C -1.749 174.864 176.870 -0.427 0.000 1.013 273 L CA -0.288 54.181 54.840 -0.618 0.000 0.816 273 L CB 0.959 42.301 42.059 -1.194 0.000 1.278 273 L HN 0.540 nan 8.230 nan 0.000 0.431 274 Y N 2.612 122.933 120.300 0.034 0.000 2.504 274 Y HA 0.475 5.026 4.550 0.002 0.000 0.344 274 Y C -0.305 175.684 175.900 0.149 0.000 1.023 274 Y CA -0.748 57.414 58.100 0.104 0.000 1.020 274 Y CB 1.969 40.491 38.460 0.103 0.000 1.282 274 Y HN 0.521 nan 8.280 nan 0.000 0.454 275 K N 1.090 121.597 120.400 0.179 0.000 2.090 275 K HA 0.793 5.114 4.320 0.002 0.000 0.250 275 K C -1.631 174.923 176.600 -0.077 0.000 1.004 275 K CA -0.698 55.458 56.287 -0.218 0.000 0.919 275 K CB 1.425 33.794 32.500 -0.219 0.000 1.045 275 K HN 0.499 nan 8.250 nan 0.000 0.471 276 V N 1.801 121.614 119.914 -0.169 0.000 2.697 276 V HA 0.290 4.411 4.120 0.002 0.000 0.296 276 V C -1.878 174.181 176.094 -0.059 0.000 1.140 276 V CA -0.335 61.935 62.300 -0.050 0.000 0.921 276 V CB 1.951 33.778 31.823 0.008 0.000 1.036 276 V HN 0.778 nan 8.190 nan 0.000 0.438 277 S N 7.588 123.271 115.700 -0.028 0.000 2.622 277 S HA 0.634 5.105 4.470 0.002 0.000 0.283 277 S C -0.559 174.039 174.600 -0.004 0.000 1.197 277 S CA -0.760 57.427 58.200 -0.021 0.000 1.146 277 S CB 0.494 63.680 63.200 -0.022 0.000 1.007 277 S HN 0.990 nan 8.310 nan 0.000 0.478 278 N N 0.629 119.329 118.700 0.001 0.000 2.934 278 N HA 0.410 5.151 4.740 0.002 0.000 0.253 278 N C 0.570 176.083 175.510 0.004 0.000 1.466 278 N CA -0.807 52.246 53.050 0.005 0.000 0.858 278 N CB 0.915 39.408 38.487 0.012 0.000 1.459 278 N HN 0.333 nan 8.380 nan 0.000 0.532 279 G N -0.987 107.815 108.800 0.004 0.000 2.486 279 G HA2 0.396 4.357 3.960 0.002 0.000 0.210 279 G HA3 0.396 4.357 3.960 0.002 0.000 0.210 279 G C 0.704 175.606 174.900 0.003 0.000 1.168 279 G CA 1.197 46.298 45.100 0.002 0.000 0.820 279 G HN 1.156 nan 8.290 nan 0.000 0.544 280 A N -2.142 120.680 122.820 0.004 0.000 2.312 280 A HA 0.344 4.665 4.320 0.002 0.000 0.189 280 A C 1.817 179.404 177.584 0.005 0.000 2.525 280 A CA 1.190 53.230 52.037 0.006 0.000 1.466 280 A CB -0.956 18.045 19.000 0.001 0.000 1.089 280 A HN 0.768 nan 8.150 nan 0.000 0.415 281 G N 0.798 109.598 108.800 0.000 0.000 2.688 281 G HA2 0.368 4.329 3.960 0.002 0.000 0.214 281 G HA3 0.368 4.329 3.960 0.002 0.000 0.214 281 G C -1.323 173.576 174.900 -0.002 0.000 1.211 281 G CA 0.734 45.832 45.100 -0.003 0.000 0.853 281 G HN 0.432 nan 8.290 nan 0.000 0.591 282 P HA 0.228 nan 4.420 nan 0.000 0.252 282 P C -0.567 176.734 177.300 0.003 0.000 1.727 282 P CA 0.014 63.113 63.100 -0.001 0.000 1.134 282 P CB 0.179 31.878 31.700 -0.002 0.000 1.876 283 M N 3.450 123.052 119.600 0.004 0.000 2.143 283 M HA 0.164 4.645 4.480 0.002 0.000 0.348 283 M C -0.780 175.529 176.300 0.015 0.000 1.375 283 M CA -0.356 54.953 55.300 0.014 0.000 1.124 283 M CB 0.672 33.285 32.600 0.022 0.000 1.669 283 M HN -0.074 nan 8.290 nan 0.000 0.469 284 V N 6.568 126.494 119.914 0.019 0.000 2.350 284 V HA 0.343 4.464 4.120 0.002 0.000 0.276 284 V C -0.380 175.739 176.094 0.041 0.000 1.028 284 V CA -0.622 61.692 62.300 0.023 0.000 0.860 284 V CB 1.315 33.146 31.823 0.014 0.000 0.990 284 V HN 0.596 nan 8.190 nan 0.000 0.453 285 V N 4.912 124.862 119.914 0.060 0.000 2.349 285 V HA 0.444 4.565 4.120 0.002 0.000 0.284 285 V C -0.033 176.164 176.094 0.171 0.000 1.014 285 V CA -0.316 62.050 62.300 0.111 0.000 0.826 285 V CB 1.946 33.819 31.823 0.083 0.000 1.009 285 V HN 0.953 nan 8.190 nan 0.000 0.431 286 S N 5.377 121.197 115.700 0.199 0.000 2.498 286 S HA 0.659 5.130 4.470 0.002 0.000 0.317 286 S C -0.662 174.080 174.600 0.236 0.000 1.090 286 S CA -0.670 57.642 58.200 0.187 0.000 1.089 286 S CB 1.773 65.027 63.200 0.091 0.000 0.997 286 S HN 0.536 nan 8.310 nan 0.000 0.470 287 L N 4.260 125.599 121.223 0.194 0.000 2.559 287 L HA 0.164 4.505 4.340 0.002 0.000 0.274 287 L C 0.618 177.445 176.870 -0.072 0.000 1.205 287 L CA 0.710 55.502 54.840 -0.080 0.000 0.907 287 L CB 0.426 42.416 42.059 -0.114 0.000 1.153 287 L HN 0.680 nan 8.230 nan 0.000 0.490 288 V N 4.019 123.851 119.914 -0.136 0.000 3.048 288 V HA 0.464 4.585 4.120 0.002 0.000 0.241 288 V C 0.614 176.613 176.094 -0.158 0.000 1.129 288 V CA 0.612 62.869 62.300 -0.072 0.000 1.128 288 V CB -0.233 31.619 31.823 0.049 0.000 0.849 288 V HN 0.880 nan 8.190 nan 0.000 0.475 289 A N -0.103 122.541 122.820 -0.292 0.000 2.408 289 A HA 0.584 4.905 4.320 0.002 0.000 0.295 289 A C 0.034 177.500 177.584 -0.196 0.000 1.040 289 A CA -0.131 51.755 52.037 -0.252 0.000 0.707 289 A CB 1.666 20.433 19.000 -0.389 0.000 1.235 289 A HN 0.101 nan 8.150 nan 0.000 0.418 290 D N 1.085 121.448 120.400 -0.062 0.000 2.249 290 D HA 0.049 4.690 4.640 0.002 0.000 0.205 290 D C 0.427 176.776 176.300 0.080 0.000 0.962 290 D CA 1.334 55.324 54.000 -0.017 0.000 0.860 290 D CB 0.451 41.247 40.800 -0.007 0.000 0.955 290 D HN 0.662 nan 8.370 nan 0.000 0.505 291 E N -0.536 119.746 120.200 0.138 0.000 2.331 291 E HA 0.219 4.570 4.350 0.002 0.000 0.275 291 E C -1.240 175.421 176.600 0.102 0.000 0.895 291 E CA -0.847 55.626 56.400 0.122 0.000 0.753 291 E CB 1.219 30.930 29.700 0.017 0.000 1.216 291 E HN 0.224 nan 8.360 nan 0.000 0.434 292 N N 2.343 120.906 118.700 -0.228 0.000 2.515 292 N HA 0.437 5.178 4.740 0.002 0.000 0.279 292 N C -2.591 172.589 175.510 -0.551 0.000 1.164 292 N CA -1.320 51.260 53.050 -0.783 0.000 0.982 292 N CB 1.072 38.885 38.487 -1.124 0.000 1.170 292 N HN 0.064 nan 8.380 nan 0.000 0.474 293 P HA 0.122 nan 4.420 nan 0.000 0.271 293 P C -1.014 176.093 177.300 -0.321 0.000 1.216 293 P CA -0.001 62.826 63.100 -0.456 0.000 0.776 293 P CB 0.293 31.850 31.700 -0.239 0.000 0.881 294 F N 0.730 120.496 119.950 -0.306 0.000 2.378 294 F HA 0.528 5.056 4.527 0.002 0.000 0.325 294 F C 1.050 176.795 175.800 -0.090 0.000 1.097 294 F CA -1.631 56.174 58.000 -0.325 0.000 1.079 294 F CB 0.011 38.563 39.000 -0.747 0.000 1.240 294 F HN 0.236 nan 8.300 nan 0.000 0.519 295 A N 1.580 124.506 122.820 0.177 0.000 2.409 295 A HA 0.191 4.512 4.320 0.002 0.000 0.262 295 A C 1.235 178.949 177.584 0.217 0.000 1.113 295 A CA -0.361 51.756 52.037 0.134 0.000 0.790 295 A CB 0.267 19.286 19.000 0.031 0.000 1.046 295 A HN 0.933 nan 8.150 nan 0.000 0.496 296 Q N 2.641 122.523 119.800 0.137 0.000 2.170 296 Q HA -0.138 4.203 4.340 0.002 0.000 0.203 296 Q C 1.686 177.524 176.000 -0.270 0.000 0.976 296 Q CA 1.859 57.574 55.803 -0.146 0.000 0.858 296 Q CB -0.286 28.177 28.738 -0.457 0.000 0.907 296 Q HN 0.945 nan 8.270 nan 0.000 0.433 297 G N -0.044 108.653 108.800 -0.172 0.000 2.509 297 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 297 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 297 G C 1.369 176.169 174.900 -0.167 0.000 1.124 297 G CA 0.598 45.601 45.100 -0.162 0.000 0.776 297 G HN 0.467 nan 8.290 nan 0.000 0.547 298 A N 0.019 122.734 122.820 -0.175 0.000 2.019 298 A HA 0.184 4.505 4.320 0.002 0.000 0.219 298 A C 0.965 178.222 177.584 -0.544 0.000 1.164 298 A CA 0.465 52.359 52.037 -0.239 0.000 0.644 298 A CB -0.183 18.685 19.000 -0.220 0.000 0.805 298 A HN 0.245 nan 8.150 nan 0.000 0.449 299 L N 1.401 122.205 121.223 -0.698 0.000 2.385 299 L HA 0.248 4.589 4.340 0.002 0.000 0.281 299 L C 0.434 177.019 176.870 -0.475 0.000 1.106 299 L CA 0.708 54.881 54.840 -1.111 0.000 0.856 299 L CB 0.088 41.320 42.059 -1.378 0.000 1.186 299 L HN 0.278 nan 8.230 nan 0.000 0.453 300 R N 2.139 122.625 120.500 -0.023 0.000 2.599 300 R HA 0.375 4.716 4.340 0.002 0.000 0.295 300 R C 0.804 177.403 176.300 0.500 0.000 0.963 300 R CA -0.614 55.641 56.100 0.259 0.000 0.883 300 R CB 1.477 31.930 30.300 0.255 0.000 1.171 300 R HN 0.484 nan 8.270 nan 0.000 0.450 301 S N 1.535 117.456 115.700 0.368 0.000 2.442 301 S HA -0.134 4.337 4.470 0.002 0.000 0.236 301 S C 1.051 175.788 174.600 0.228 0.000 1.007 301 S CA 1.350 59.743 58.200 0.322 0.000 0.965 301 S CB -0.020 63.292 63.200 0.187 0.000 0.773 301 S HN 0.560 nan 8.310 nan 0.000 0.504 302 E N 1.090 121.416 120.200 0.210 0.000 2.158 302 E HA 0.038 4.389 4.350 0.002 0.000 0.191 302 E C 0.315 176.990 176.600 0.125 0.000 0.982 302 E CA 0.696 57.176 56.400 0.133 0.000 0.823 302 E CB 0.102 29.865 29.700 0.105 0.000 0.766 302 E HN 0.458 nan 8.360 nan 0.000 0.468 303 D N -1.182 119.337 120.400 0.198 0.000 2.569 303 D HA 0.323 4.964 4.640 0.002 0.000 0.266 303 D C -0.535 175.855 176.300 0.150 0.000 1.164 303 D CA -0.601 53.439 54.000 0.066 0.000 1.071 303 D CB 1.237 41.949 40.800 -0.147 0.000 1.183 303 D HN -0.028 nan 8.370 nan 0.000 0.613 304 C N 0.388 119.647 119.300 -0.067 0.000 2.563 304 C HA 0.634 5.095 4.460 0.002 0.000 0.314 304 C C -0.790 174.124 174.990 -0.126 0.000 1.199 304 C CA -0.691 58.394 59.018 0.112 0.000 1.564 304 C CB 0.025 27.806 27.740 0.069 0.000 2.173 304 C HN 0.360 nan 8.230 nan 0.000 0.485 305 F N 1.698 121.855 119.950 0.345 0.000 2.561 305 F HA 0.711 5.239 4.527 0.002 0.000 0.321 305 F C 0.048 175.986 175.800 0.230 0.000 1.065 305 F CA -1.012 57.139 58.000 0.252 0.000 0.934 305 F CB 0.902 40.029 39.000 0.213 0.000 1.215 305 F HN 0.253 nan 8.300 nan 0.000 0.471 306 I N 3.293 124.037 120.570 0.291 0.000 2.354 306 I HA 0.261 4.432 4.170 0.002 0.000 0.292 306 I C -1.102 175.131 176.117 0.194 0.000 0.989 306 I CA -0.816 60.560 61.300 0.127 0.000 1.188 306 I CB 1.525 39.320 38.000 -0.343 0.000 1.342 306 I HN 0.288 nan 8.210 nan 0.000 0.457 307 L N 7.308 128.695 121.223 0.273 0.000 2.270 307 L HA 0.352 4.693 4.340 0.002 0.000 0.286 307 L C -0.433 176.560 176.870 0.205 0.000 1.059 307 L CA -0.230 54.718 54.840 0.180 0.000 0.839 307 L CB 0.187 42.309 42.059 0.105 0.000 1.221 307 L HN 0.474 nan 8.230 nan 0.000 0.431 308 D N 2.827 123.355 120.400 0.213 0.000 2.393 308 D HA 0.070 4.711 4.640 0.002 0.000 0.232 308 D C -0.046 176.423 176.300 0.283 0.000 1.192 308 D CA 0.202 54.378 54.000 0.293 0.000 0.882 308 D CB 0.272 41.415 40.800 0.571 0.000 1.038 308 D HN 0.530 nan 8.370 nan 0.000 0.499 309 H N 2.290 121.413 119.070 0.089 0.000 2.490 309 H HA 0.381 4.938 4.556 0.002 0.000 0.285 309 H C 1.580 176.897 175.328 -0.019 0.000 1.127 309 H CA -0.076 56.017 56.048 0.075 0.000 0.993 309 H CB 0.162 30.024 29.762 0.167 0.000 1.653 309 H HN 0.503 nan 8.280 nan 0.000 0.557 310 G N 0.251 108.940 108.800 -0.186 0.000 2.470 310 G HA2 -0.198 3.763 3.960 0.002 0.000 0.220 310 G HA3 -0.198 3.763 3.960 0.002 0.000 0.220 310 G C 1.650 176.227 174.900 -0.539 0.000 1.121 310 G CA 0.079 44.746 45.100 -0.721 0.000 0.766 310 G HN 0.250 nan 8.290 nan 0.000 0.553 311 K N 0.563 120.820 120.400 -0.239 0.000 2.074 311 K HA -0.134 4.187 4.320 0.002 0.000 0.209 311 K C 1.499 177.982 176.600 -0.195 0.000 1.048 311 K CA 1.441 57.658 56.287 -0.118 0.000 0.926 311 K CB -0.234 32.262 32.500 -0.007 0.000 0.713 311 K HN 0.309 nan 8.250 nan 0.000 0.444 312 D N -1.154 119.016 120.400 -0.383 0.000 2.342 312 D HA 0.101 4.742 4.640 0.002 0.000 0.221 312 D C 0.402 176.577 176.300 -0.209 0.000 1.101 312 D CA 0.579 54.378 54.000 -0.335 0.000 0.837 312 D CB 0.240 40.693 40.800 -0.579 0.000 0.938 312 D HN 0.372 nan 8.370 nan 0.000 0.508 313 G N 0.951 109.618 108.800 -0.221 0.000 2.131 313 G HA2 -0.266 3.695 3.960 0.002 0.000 0.223 313 G HA3 -0.266 3.695 3.960 0.002 0.000 0.223 313 G C 0.254 175.069 174.900 -0.141 0.000 0.990 313 G CA 0.162 45.165 45.100 -0.162 0.000 0.671 313 G HN 0.425 nan 8.290 nan 0.000 0.521 314 K N -0.012 120.298 120.400 -0.150 0.000 2.525 314 K HA 0.751 5.072 4.320 0.002 0.000 0.254 314 K C -0.252 176.285 176.600 -0.104 0.000 0.934 314 K CA -1.058 55.157 56.287 -0.121 0.000 0.802 314 K CB 1.758 34.250 32.500 -0.014 0.000 1.295 314 K HN 0.709 nan 8.250 nan 0.000 0.433 315 I N -0.546 119.911 120.570 -0.187 0.000 2.934 315 I HA 0.655 4.826 4.170 0.002 0.000 0.306 315 I C -1.497 174.482 176.117 -0.229 0.000 1.110 315 I CA -0.958 60.301 61.300 -0.068 0.000 1.019 315 I CB 1.790 39.803 38.000 0.021 0.000 1.227 315 I HN 0.420 nan 8.210 nan 0.000 0.434 316 F N 3.010 123.052 119.950 0.153 0.000 2.551 316 F HA 0.694 5.222 4.527 0.001 0.000 0.316 316 F C -0.430 175.492 175.800 0.204 0.000 1.089 316 F CA -1.199 56.945 58.000 0.240 0.000 0.915 316 F CB 2.278 41.559 39.000 0.470 0.000 1.186 316 F HN 0.128 nan 8.300 nan 0.000 0.456 317 V N 1.869 121.984 119.914 0.336 0.000 2.357 317 V HA 0.151 4.272 4.120 0.002 0.000 0.284 317 V C -1.145 175.110 176.094 0.269 0.000 1.018 317 V CA -0.842 61.618 62.300 0.267 0.000 0.841 317 V CB 1.184 33.094 31.823 0.145 0.000 0.991 317 V HN 0.775 nan 8.190 nan 0.000 0.437 318 W N 6.007 127.398 121.300 0.152 0.000 2.331 318 W HA 0.459 5.120 4.660 0.001 0.000 0.306 318 W C 0.229 176.823 176.519 0.126 0.000 1.162 318 W CA -0.696 56.683 57.345 0.057 0.000 1.232 318 W CB 0.925 30.469 29.460 0.140 0.000 1.235 318 W HN 0.435 nan 8.180 nan 0.000 0.479 319 K N 5.871 125.986 120.400 -0.475 0.000 2.299 319 K HA 0.345 4.666 4.320 0.002 0.000 0.268 319 K C 0.609 176.747 176.600 -0.769 0.000 1.075 319 K CA -0.643 55.403 56.287 -0.402 0.000 0.936 319 K CB 0.885 33.227 32.500 -0.263 0.000 1.228 319 K HN 0.692 nan 8.250 nan 0.000 0.454 320 G N 2.091 110.564 108.800 -0.546 0.000 2.464 320 G HA2 -0.191 3.770 3.960 0.002 0.000 0.231 320 G HA3 -0.191 3.770 3.960 0.002 0.000 0.231 320 G C 0.795 175.565 174.900 -0.218 0.000 1.267 320 G CA -0.193 44.698 45.100 -0.348 0.000 0.863 320 G HN 0.787 nan 8.290 nan 0.000 0.559 321 K N 0.393 120.711 120.400 -0.136 0.000 2.432 321 K HA 0.021 4.342 4.320 0.002 0.000 0.196 321 K C 1.761 178.341 176.600 -0.033 0.000 1.038 321 K CA 1.100 57.333 56.287 -0.091 0.000 0.986 321 K CB 0.161 32.628 32.500 -0.054 0.000 0.782 321 K HN 0.553 nan 8.250 nan 0.000 0.485 322 Q N -0.072 119.728 119.800 -0.000 0.000 2.387 322 Q HA 0.227 4.568 4.340 0.002 0.000 0.208 322 Q C 1.408 177.413 176.000 0.008 0.000 0.935 322 Q CA 0.860 56.670 55.803 0.012 0.000 0.891 322 Q CB 0.337 29.095 28.738 0.034 0.000 1.007 322 Q HN 0.380 nan 8.270 nan 0.000 0.548 323 A N 2.140 124.973 122.820 0.022 0.000 2.542 323 A HA -0.409 3.912 4.320 0.002 0.000 0.365 323 A C 0.476 178.065 177.584 0.009 0.000 1.621 323 A CA 1.952 53.998 52.037 0.015 0.000 1.021 323 A CB -1.475 17.513 19.000 -0.020 0.000 1.485 323 A HN 0.661 nan 8.150 nan 0.000 0.685 324 N N -2.840 115.859 118.700 -0.001 0.000 8.385 324 N HA -0.043 4.698 4.740 0.002 0.000 0.070 324 N C 0.222 175.729 175.510 -0.005 0.000 0.819 324 N CA 0.804 53.854 53.050 -0.001 0.000 1.353 324 N CB -0.711 37.778 38.487 0.002 0.000 1.104 324 N HN 0.966 nan 8.380 nan 0.000 1.460 325 M N 2.661 122.258 119.600 -0.005 0.000 2.192 325 M HA -0.188 4.293 4.480 0.002 0.000 0.259 325 M C 1.059 177.356 176.300 -0.005 0.000 1.071 325 M CA 1.972 57.268 55.300 -0.006 0.000 1.082 325 M CB -0.149 32.449 32.600 -0.003 0.000 1.373 325 M HN 0.653 nan 8.290 nan 0.000 0.408 326 E N -0.177 120.022 120.200 -0.002 0.000 2.158 326 E HA -0.183 4.168 4.350 0.002 0.000 0.191 326 E C 1.723 178.323 176.600 -0.001 0.000 0.982 326 E CA 1.421 57.821 56.400 -0.001 0.000 0.823 326 E CB -0.019 29.681 29.700 -0.001 0.000 0.766 326 E HN 0.763 nan 8.360 nan 0.000 0.468 327 E N 0.782 120.981 120.200 -0.002 0.000 2.385 327 E HA -0.060 4.291 4.350 0.002 0.000 0.194 327 E C 2.067 178.666 176.600 -0.001 0.000 1.013 327 E CA 0.003 56.404 56.400 0.001 0.000 0.866 327 E CB 0.022 29.722 29.700 0.001 0.000 0.832 327 E HN -0.000 nan 8.360 nan 0.000 0.500 328 R N 1.576 122.070 120.500 -0.010 0.000 2.062 328 R HA -0.053 4.288 4.340 0.002 0.000 0.231 328 R C 2.085 178.377 176.300 -0.014 0.000 1.136 328 R CA 1.499 57.586 56.100 -0.021 0.000 0.948 328 R CB 0.019 30.299 30.300 -0.034 0.000 0.845 328 R HN 0.025 nan 8.270 nan 0.000 0.430 329 K N -0.592 119.802 120.400 -0.009 0.000 2.283 329 K HA -0.035 4.285 4.320 0.002 0.000 0.202 329 K C 0.931 177.529 176.600 -0.002 0.000 1.048 329 K CA 1.059 57.342 56.287 -0.006 0.000 0.948 329 K CB 0.209 32.708 32.500 -0.002 0.000 0.742 329 K HN 0.173 nan 8.250 nan 0.000 0.458 330 A N -0.127 122.694 122.820 0.002 0.000 2.610 330 A HA 0.367 4.688 4.320 0.002 0.000 0.286 330 A C 1.363 178.959 177.584 0.020 0.000 1.306 330 A CA 0.193 52.235 52.037 0.008 0.000 0.942 330 A CB 0.032 19.036 19.000 0.007 0.000 1.112 330 A HN 0.230 nan 8.150 nan 0.000 0.527 331 A N -0.351 122.482 122.820 0.021 0.000 1.968 331 A HA 0.080 4.401 4.320 0.002 0.000 0.217 331 A C 1.805 179.423 177.584 0.056 0.000 1.169 331 A CA 1.094 53.153 52.037 0.036 0.000 0.638 331 A CB -0.292 18.724 19.000 0.027 0.000 0.812 331 A HN 0.422 nan 8.150 nan 0.000 0.446 332 L N -0.106 121.152 121.223 0.059 0.000 1.994 332 L HA -0.108 4.232 4.340 0.002 0.000 0.208 332 L C 2.317 179.238 176.870 0.084 0.000 1.071 332 L CA 2.261 57.157 54.840 0.093 0.000 0.745 332 L CB -1.217 40.906 42.059 0.108 0.000 0.892 332 L HN 0.399 nan 8.230 nan 0.000 0.431 333 K N -1.182 119.251 120.400 0.056 0.000 2.147 333 K HA -0.141 4.180 4.320 0.002 0.000 0.205 333 K C 1.927 178.562 176.600 0.058 0.000 1.049 333 K CA 1.597 57.913 56.287 0.047 0.000 0.936 333 K CB -0.007 32.508 32.500 0.024 0.000 0.722 333 K HN 0.291 nan 8.250 nan 0.000 0.446 334 T N 0.139 114.730 114.554 0.061 0.000 2.821 334 T HA -0.101 4.250 4.350 0.002 0.000 0.267 334 T C 1.796 176.566 174.700 0.115 0.000 1.046 334 T CA 1.192 63.338 62.100 0.077 0.000 1.139 334 T CB -0.245 68.661 68.868 0.063 0.000 0.871 334 T HN 0.351 nan 8.240 nan 0.000 0.454 335 A N 1.099 123.983 122.820 0.107 0.000 1.898 335 A HA -0.062 4.259 4.320 0.002 0.000 0.216 335 A C 2.622 180.305 177.584 0.164 0.000 1.181 335 A CA 1.808 53.922 52.037 0.129 0.000 0.620 335 A CB -0.958 18.101 19.000 0.098 0.000 0.819 335 A HN 0.398 nan 8.150 nan 0.000 0.442 336 S N -0.003 115.768 115.700 0.118 0.000 2.351 336 S HA -0.179 4.292 4.470 0.002 0.000 0.220 336 S C 1.699 176.353 174.600 0.090 0.000 1.035 336 S CA 1.619 59.875 58.200 0.093 0.000 1.031 336 S CB -0.474 62.766 63.200 0.067 0.000 0.928 336 S HN 0.616 nan 8.310 nan 0.000 0.433 337 D N 0.127 120.578 120.400 0.083 0.000 2.182 337 D HA -0.088 4.553 4.640 0.002 0.000 0.201 337 D C 1.513 177.848 176.300 0.059 0.000 0.986 337 D CA 0.707 54.739 54.000 0.053 0.000 0.847 337 D CB -0.315 40.513 40.800 0.047 0.000 0.942 337 D HN 0.408 nan 8.370 nan 0.000 0.467 338 F N 0.889 120.832 119.950 -0.012 0.000 2.163 338 F HA -0.037 4.491 4.527 0.002 0.000 0.297 338 F C 2.164 177.956 175.800 -0.013 0.000 1.094 338 F CA 0.843 58.826 58.000 -0.028 0.000 1.290 338 F CB -0.056 38.945 39.000 0.001 0.000 1.017 338 F HN -0.153 nan 8.300 nan 0.000 0.483 339 I N -0.745 119.939 120.570 0.189 0.000 2.252 339 I HA -0.291 3.880 4.170 0.002 0.000 0.245 339 I C 2.373 178.462 176.117 -0.047 0.000 1.102 339 I CA 1.279 62.672 61.300 0.154 0.000 1.385 339 I CB -0.523 37.590 38.000 0.188 0.000 1.064 339 I HN 0.049 nan 8.210 nan 0.000 0.414 340 S N 0.569 116.236 115.700 -0.055 0.000 2.348 340 S HA -0.263 4.208 4.470 0.002 0.000 0.221 340 S C 1.978 176.473 174.600 -0.175 0.000 1.033 340 S CA 1.506 59.650 58.200 -0.093 0.000 1.010 340 S CB -0.333 62.831 63.200 -0.060 0.000 0.891 340 S HN 0.327 nan 8.310 nan 0.000 0.442 341 K N 0.193 120.459 120.400 -0.225 0.000 2.280 341 K HA 0.070 4.391 4.320 0.002 0.000 0.202 341 K C 1.411 177.764 176.600 -0.412 0.000 1.047 341 K CA 0.935 57.049 56.287 -0.289 0.000 0.942 341 K CB 0.007 32.326 32.500 -0.301 0.000 0.739 341 K HN 0.214 nan 8.250 nan 0.000 0.457 342 M N -0.049 119.218 119.600 -0.555 0.000 2.333 342 M HA 0.034 4.515 4.480 0.002 0.000 0.257 342 M C -0.321 175.558 176.300 -0.702 0.000 1.078 342 M CA 0.347 55.193 55.300 -0.757 0.000 1.005 342 M CB 0.160 32.041 32.600 -1.199 0.000 1.444 342 M HN 0.047 nan 8.290 nan 0.000 0.496 343 D N 1.100 121.246 120.400 -0.422 0.000 2.689 343 D HA -0.215 4.426 4.640 0.002 0.000 0.237 343 D C -1.183 175.001 176.300 -0.193 0.000 1.148 343 D CA 0.685 54.533 54.000 -0.252 0.000 0.656 343 D CB -0.792 39.896 40.800 -0.187 0.000 1.050 343 D HN 0.194 nan 8.370 nan 0.000 0.426 344 Y N -0.829 119.430 120.300 -0.069 0.000 2.307 344 Y HA 0.468 5.019 4.550 0.002 0.000 0.324 344 Y C -1.375 174.481 175.900 -0.074 0.000 1.238 344 Y CA -2.587 55.481 58.100 -0.054 0.000 1.280 344 Y CB -0.065 38.384 38.460 -0.019 0.000 1.248 344 Y HN -0.049 nan 8.280 nan 0.000 0.508 345 P HA 0.057 nan 4.420 nan 0.000 0.268 345 P C 0.082 177.341 177.300 -0.067 0.000 1.208 345 P CA -0.047 63.023 63.100 -0.051 0.000 0.777 345 P CB 0.764 32.369 31.700 -0.158 0.000 0.875 346 K N 1.445 121.789 120.400 -0.093 0.000 2.103 346 K HA -0.199 4.122 4.320 0.002 0.000 0.207 346 K C 1.658 178.178 176.600 -0.133 0.000 1.048 346 K CA 1.306 57.539 56.287 -0.089 0.000 0.930 346 K CB -0.214 32.234 32.500 -0.087 0.000 0.716 346 K HN 0.562 nan 8.250 nan 0.000 0.444 347 Q N 0.678 120.341 119.800 -0.227 0.000 2.403 347 Q HA 0.042 4.383 4.340 0.002 0.000 0.203 347 Q C -0.107 175.732 176.000 -0.270 0.000 0.932 347 Q CA 0.392 56.023 55.803 -0.287 0.000 0.945 347 Q CB -0.465 27.982 28.738 -0.485 0.000 1.045 347 Q HN -0.006 nan 8.270 nan 0.000 0.511 348 T N 3.663 118.084 114.554 -0.221 0.000 2.777 348 T HA -0.087 4.264 4.350 0.002 0.000 0.273 348 T C 0.132 174.761 174.700 -0.119 0.000 1.016 348 T CA 0.681 62.689 62.100 -0.155 0.000 1.156 348 T CB 0.227 69.040 68.868 -0.091 0.000 1.019 348 T HN 0.311 nan 8.240 nan 0.000 0.503 349 Q N 1.424 121.158 119.800 -0.110 0.000 2.394 349 Q HA 0.455 4.796 4.340 0.002 0.000 0.248 349 Q C -0.469 175.465 176.000 -0.110 0.000 0.992 349 Q CA -0.391 55.352 55.803 -0.100 0.000 0.888 349 Q CB 0.855 29.543 28.738 -0.083 0.000 1.257 349 Q HN 0.405 nan 8.270 nan 0.000 0.462 350 V N 1.362 121.229 119.914 -0.078 0.000 2.686 350 V HA 0.371 4.492 4.120 0.002 0.000 0.306 350 V C -0.927 175.186 176.094 0.032 0.000 1.065 350 V CA -0.711 61.559 62.300 -0.049 0.000 0.894 350 V CB 2.260 34.083 31.823 -0.001 0.000 1.004 350 V HN 0.766 nan 8.190 nan 0.000 0.424 351 S N 2.842 118.549 115.700 0.012 0.000 2.500 351 S HA 0.701 5.172 4.470 0.002 0.000 0.301 351 S C -0.514 174.169 174.600 0.138 0.000 1.092 351 S CA -0.692 57.606 58.200 0.163 0.000 1.030 351 S CB 1.988 65.359 63.200 0.285 0.000 1.031 351 S HN 1.031 nan 8.310 nan 0.000 0.483 352 V N 3.705 123.657 119.914 0.064 0.000 2.378 352 V HA 0.659 4.780 4.120 0.002 0.000 0.288 352 V C -1.052 175.036 176.094 -0.011 0.000 1.016 352 V CA -0.683 61.644 62.300 0.045 0.000 0.840 352 V CB 0.436 32.274 31.823 0.025 0.000 0.994 352 V HN 0.793 nan 8.190 nan 0.000 0.431 353 L N 7.271 128.464 121.223 -0.050 0.000 2.317 353 L HA 0.709 5.050 4.340 0.002 0.000 0.281 353 L C -2.458 174.234 176.870 -0.296 0.000 1.024 353 L CA -1.953 52.798 54.840 -0.148 0.000 0.810 353 L CB 2.215 44.137 42.059 -0.230 0.000 1.240 353 L HN 0.409 nan 8.230 nan 0.000 0.427 354 P HA 0.146 nan 4.420 nan 0.000 0.288 354 P C -0.659 176.382 177.300 -0.431 0.000 1.267 354 P CA -0.593 62.285 63.100 -0.371 0.000 0.815 354 P CB 1.134 32.720 31.700 -0.190 0.000 0.989 355 E N 1.793 121.591 120.200 -0.670 0.000 2.708 355 E HA 0.075 4.426 4.350 0.002 0.000 0.260 355 E C 1.187 177.772 176.600 -0.025 0.000 0.937 355 E CA 1.404 57.619 56.400 -0.307 0.000 0.953 355 E CB -0.802 28.730 29.700 -0.280 0.000 0.915 355 E HN 0.809 nan 8.360 nan 0.000 0.487 356 G N 2.805 111.699 108.800 0.157 0.000 2.234 356 G HA2 -0.284 3.677 3.960 0.002 0.000 0.260 356 G HA3 -0.284 3.677 3.960 0.002 0.000 0.260 356 G C 0.657 175.619 174.900 0.104 0.000 0.987 356 G CA 0.268 45.456 45.100 0.146 0.000 0.625 356 G HN 0.990 nan 8.290 nan 0.000 0.532 357 G N 0.102 108.930 108.800 0.046 0.000 3.805 357 G HA2 0.542 4.503 3.960 0.002 0.000 0.290 357 G HA3 0.542 4.503 3.960 0.002 0.000 0.290 357 G C 0.194 175.080 174.900 -0.022 0.000 1.077 357 G CA 0.320 45.446 45.100 0.043 0.000 0.852 357 G HN 0.494 nan 8.290 nan 0.000 0.531 358 E N 1.163 121.335 120.200 -0.046 0.000 2.404 358 E HA 0.386 4.737 4.350 0.002 0.000 0.261 358 E C 0.855 177.282 176.600 -0.289 0.000 1.074 358 E CA 0.197 56.495 56.400 -0.171 0.000 0.917 358 E CB 0.766 30.365 29.700 -0.168 0.000 0.965 358 E HN 0.280 nan 8.360 nan 0.000 0.433 359 T N -0.737 113.621 114.554 -0.327 0.000 2.944 359 T HA 0.302 4.653 4.350 0.002 0.000 0.284 359 T C -2.000 172.553 174.700 -0.246 0.000 1.010 359 T CA -2.031 59.778 62.100 -0.484 0.000 1.025 359 T CB 1.374 69.987 68.868 -0.426 0.000 1.079 359 T HN 0.101 nan 8.240 nan 0.000 0.516 360 P HA -0.052 nan 4.420 nan 0.000 0.215 360 P C 1.766 179.001 177.300 -0.110 0.000 1.157 360 P CA 0.976 63.949 63.100 -0.213 0.000 0.868 360 P CB -0.183 31.425 31.700 -0.153 0.000 0.788 361 L N -2.464 118.779 121.223 0.034 0.000 2.013 361 L HA -0.218 4.123 4.340 0.002 0.000 0.212 361 L C 2.464 179.402 176.870 0.112 0.000 1.073 361 L CA 1.693 56.624 54.840 0.153 0.000 0.753 361 L CB -1.166 41.113 42.059 0.366 0.000 0.890 361 L HN -0.045 nan 8.230 nan 0.000 0.432 362 F N 0.819 120.730 119.950 -0.065 0.000 2.113 362 F HA -0.153 4.375 4.527 0.001 0.000 0.297 362 F C 2.743 178.506 175.800 -0.061 0.000 1.103 362 F CA 1.383 59.234 58.000 -0.248 0.000 1.248 362 F CB -0.168 38.704 39.000 -0.214 0.000 0.999 362 F HN -0.204 nan 8.300 nan 0.000 0.475 363 R N 0.323 120.722 120.500 -0.168 0.000 2.193 363 R HA -0.190 4.151 4.340 0.002 0.000 0.229 363 R C 2.420 178.648 176.300 -0.119 0.000 1.110 363 R CA 1.332 57.169 56.100 -0.439 0.000 0.988 363 R CB -0.443 29.386 30.300 -0.786 0.000 0.871 363 R HN 0.587 nan 8.270 nan 0.000 0.458 364 Q N -0.161 119.537 119.800 -0.171 0.000 2.170 364 Q HA -0.185 4.156 4.340 0.002 0.000 0.203 364 Q C 1.046 176.892 176.000 -0.256 0.000 0.976 364 Q CA 1.500 57.184 55.803 -0.199 0.000 0.858 364 Q CB -0.207 28.345 28.738 -0.310 0.000 0.907 364 Q HN 0.366 nan 8.270 nan 0.000 0.433 365 F N -0.021 119.798 119.950 -0.218 0.000 2.771 365 F HA 0.150 4.678 4.527 0.002 0.000 0.299 365 F C 0.256 175.672 175.800 -0.640 0.000 1.177 365 F CA 0.136 57.819 58.000 -0.529 0.000 1.450 365 F CB 0.188 38.702 39.000 -0.811 0.000 1.114 365 F HN -0.040 nan 8.300 nan 0.000 0.587 366 F N -0.682 119.258 119.950 -0.017 0.000 2.557 366 F HA 0.374 4.902 4.527 0.001 0.000 0.336 366 F C 1.301 177.153 175.800 0.086 0.000 1.058 366 F CA -1.217 56.840 58.000 0.096 0.000 0.988 366 F CB 0.967 40.153 39.000 0.309 0.000 1.275 366 F HN -0.472 nan 8.300 nan 0.000 0.488 367 K N 0.256 120.816 120.400 0.267 0.000 1.995 367 K HA 0.060 4.381 4.320 0.002 0.000 0.207 367 K C -0.242 176.454 176.600 0.159 0.000 1.041 367 K CA 1.209 57.579 56.287 0.138 0.000 0.942 367 K CB -0.049 32.502 32.500 0.086 0.000 0.731 367 K HN 0.574 nan 8.250 nan 0.000 0.439 368 N N 0.043 118.842 118.700 0.166 0.000 2.675 368 N HA 0.042 4.783 4.740 0.002 0.000 0.254 368 N C -1.898 173.708 175.510 0.161 0.000 1.224 368 N CA -0.391 52.752 53.050 0.156 0.000 0.777 368 N CB 0.696 39.239 38.487 0.094 0.000 1.256 368 N HN 0.183 nan 8.380 nan 0.000 0.531 369 W N 3.816 125.156 121.300 0.066 0.000 2.251 369 W HA 0.213 4.874 4.660 0.002 0.000 0.327 369 W C -0.504 176.031 176.519 0.026 0.000 1.361 369 W CA 0.434 57.795 57.345 0.025 0.000 1.234 369 W CB 0.512 29.977 29.460 0.009 0.000 1.212 369 W HN 0.313 nan 8.180 nan 0.000 0.557 370 R N 3.787 124.146 120.500 -0.236 0.000 2.774 370 R HA 0.271 4.611 4.340 0.002 0.000 0.272 370 R C -1.400 174.799 176.300 -0.168 0.000 1.000 370 R CA -0.760 55.297 56.100 -0.072 0.000 0.906 370 R CB 1.908 32.165 30.300 -0.070 0.000 1.227 370 R HN 0.391 nan 8.270 nan 0.000 0.468 371 D N 0.134 120.541 120.400 0.012 0.000 2.375 371 D HA 0.240 4.881 4.640 0.002 0.000 0.241 371 D C -2.257 174.062 176.300 0.032 0.000 1.361 371 D CA -1.685 52.324 54.000 0.015 0.000 0.995 371 D CB 1.686 42.560 40.800 0.124 0.000 1.312 371 D HN -0.027 nan 8.370 nan 0.000 0.576 372 P HA -0.291 nan 4.420 nan 0.000 0.226 372 P C 1.048 178.364 177.300 0.026 0.000 1.154 372 P CA 1.360 64.469 63.100 0.013 0.000 0.901 372 P CB 0.300 32.001 31.700 0.001 0.000 0.788 373 D N -1.259 119.162 120.400 0.034 0.000 2.218 373 D HA -0.149 4.492 4.640 0.002 0.000 0.204 373 D C 1.010 177.335 176.300 0.041 0.000 0.976 373 D CA 0.901 54.923 54.000 0.036 0.000 0.853 373 D CB 0.007 40.832 40.800 0.041 0.000 0.939 373 D HN 0.257 nan 8.370 nan 0.000 0.481 374 Q N 0.166 119.997 119.800 0.053 0.000 2.217 374 Q HA 0.074 4.415 4.340 0.002 0.000 0.226 374 Q C 1.283 177.314 176.000 0.051 0.000 0.875 374 Q CA 0.016 55.853 55.803 0.056 0.000 0.974 374 Q CB 0.631 29.415 28.738 0.076 0.000 1.079 374 Q HN 0.224 nan 8.270 nan 0.000 0.463 375 T N 0.274 114.853 114.554 0.042 0.000 2.701 375 T HA -0.054 4.297 4.350 0.002 0.000 0.263 375 T C 0.768 175.489 174.700 0.035 0.000 1.040 375 T CA 1.076 63.200 62.100 0.039 0.000 1.147 375 T CB 0.247 69.133 68.868 0.031 0.000 0.865 375 T HN 0.244 nan 8.240 nan 0.000 0.426 376 E N 0.548 120.766 120.200 0.030 0.000 2.222 376 E HA 0.572 4.923 4.350 0.002 0.000 0.272 376 E C 0.114 176.729 176.600 0.025 0.000 0.982 376 E CA -0.349 56.066 56.400 0.026 0.000 0.842 376 E CB 1.979 31.692 29.700 0.020 0.000 1.144 376 E HN 0.478 nan 8.360 nan 0.000 0.397 377 G N 0.720 109.533 108.800 0.021 0.000 2.340 377 G HA2 -0.029 3.932 3.960 0.002 0.000 0.527 377 G HA3 -0.029 3.932 3.960 0.002 0.000 0.527 377 G C -1.472 173.437 174.900 0.015 0.000 1.381 377 G CA -1.045 44.065 45.100 0.017 0.000 1.001 377 G HN 0.337 nan 8.290 nan 0.000 0.626 378 L N 1.904 123.131 121.223 0.008 0.000 2.260 378 L HA 0.540 4.881 4.340 0.002 0.000 0.289 378 L C 1.458 178.327 176.870 -0.003 0.000 1.057 378 L CA 0.922 55.764 54.840 0.002 0.000 0.811 378 L CB 0.483 42.539 42.059 -0.005 0.000 1.184 378 L HN 2.132 nan 8.230 nan 0.000 0.429 379 G N 3.819 112.619 108.800 -0.001 0.000 2.601 379 G HA2 -0.262 3.698 3.960 0.002 0.000 0.261 379 G HA3 -0.262 3.698 3.960 0.002 0.000 0.261 379 G C -0.546 174.358 174.900 0.007 0.000 1.289 379 G CA -0.253 44.844 45.100 -0.006 0.000 0.920 379 G HN 0.517 nan 8.290 nan 0.000 0.571 380 L N -0.979 120.246 121.223 0.003 0.000 2.293 380 L HA 0.694 5.034 4.340 0.002 0.000 0.264 380 L C 2.071 178.957 176.870 0.027 0.000 1.029 380 L CA -0.395 54.461 54.840 0.026 0.000 0.897 380 L CB 1.410 43.489 42.059 0.034 0.000 1.497 380 L HN 0.977 nan 8.230 nan 0.000 0.495 381 A N -0.828 122.029 122.820 0.062 0.000 2.123 381 A HA -0.004 4.317 4.320 0.002 0.000 0.214 381 A C 0.042 177.693 177.584 0.111 0.000 1.152 381 A CA 1.013 53.093 52.037 0.071 0.000 0.728 381 A CB -0.117 18.939 19.000 0.093 0.000 0.814 381 A HN 0.508 nan 8.150 nan 0.000 0.464 382 Y N -1.521 118.763 120.300 -0.026 0.000 2.462 382 Y HA 0.566 5.117 4.550 0.002 0.000 0.346 382 Y C -1.298 174.570 175.900 -0.052 0.000 0.976 382 Y CA -1.643 56.438 58.100 -0.031 0.000 1.044 382 Y CB 1.926 40.372 38.460 -0.023 0.000 1.230 382 Y HN 0.025 nan 8.280 nan 0.000 0.455 383 L N 4.866 125.735 121.223 -0.591 0.000 2.427 383 L HA 0.504 4.845 4.340 0.002 0.000 0.264 383 L C -0.794 175.751 176.870 -0.542 0.000 0.989 383 L CA -0.166 54.434 54.840 -0.399 0.000 0.865 383 L CB 1.364 43.254 42.059 -0.282 0.000 1.209 383 L HN 0.614 nan 8.230 nan 0.000 0.430 384 S N 1.922 117.461 115.700 -0.268 0.000 2.702 384 S HA -0.073 4.398 4.470 0.002 0.000 0.314 384 S C 1.472 175.936 174.600 -0.226 0.000 1.244 384 S CA 0.889 59.027 58.200 -0.103 0.000 1.058 384 S CB 0.789 63.957 63.200 -0.054 0.000 0.783 384 S HN 0.836 nan 8.310 nan 0.000 0.503 385 S N 2.807 118.472 115.700 -0.058 0.000 2.374 385 S HA -0.234 4.237 4.470 0.002 0.000 0.227 385 S C 1.749 176.325 174.600 -0.039 0.000 1.037 385 S CA 2.062 60.248 58.200 -0.022 0.000 1.024 385 S CB -0.481 62.808 63.200 0.149 0.000 0.861 385 S HN 0.967 nan 8.310 nan 0.000 0.456 386 H N 0.474 119.501 119.070 -0.073 0.000 2.545 386 H HA 0.155 4.712 4.556 0.001 0.000 0.282 386 H C 1.426 176.652 175.328 -0.169 0.000 1.020 386 H CA 1.304 57.265 56.048 -0.146 0.000 1.243 386 H CB -0.536 29.064 29.762 -0.270 0.000 1.377 386 H HN 0.657 nan 8.280 nan 0.000 0.581 387 I N -3.186 117.034 120.570 -0.583 0.000 3.936 387 I HA 0.593 4.764 4.170 0.002 0.000 0.330 387 I C 1.666 177.535 176.117 -0.413 0.000 1.509 387 I CA -0.124 60.882 61.300 -0.491 0.000 1.126 387 I CB 0.769 38.499 38.000 -0.449 0.000 1.115 387 I HN 0.209 nan 8.210 nan 0.000 0.424 388 A N 1.651 124.311 122.820 -0.267 0.000 2.014 388 A HA -0.159 4.161 4.320 0.002 0.000 0.218 388 A C 2.066 179.547 177.584 -0.172 0.000 1.163 388 A CA 1.846 53.765 52.037 -0.196 0.000 0.652 388 A CB -1.106 17.815 19.000 -0.132 0.000 0.808 388 A HN 0.833 nan 8.150 nan 0.000 0.449 389 H N -2.172 116.830 119.070 -0.113 0.000 2.539 389 H HA 0.405 4.962 4.556 0.001 0.000 0.267 389 H C -0.075 175.216 175.328 -0.062 0.000 0.982 389 H CA 0.239 56.237 56.048 -0.083 0.000 1.146 389 H CB -0.599 29.114 29.762 -0.081 0.000 1.382 389 H HN 0.068 nan 8.280 nan 0.000 0.577 390 V N 2.031 121.504 119.914 -0.736 0.000 2.470 390 V HA -0.023 4.098 4.120 0.002 0.000 0.276 390 V C 0.614 176.598 176.094 -0.183 0.000 1.040 390 V CA -0.269 61.770 62.300 -0.435 0.000 1.008 390 V CB 0.860 32.472 31.823 -0.351 0.000 0.990 390 V HN 0.490 nan 8.190 nan 0.000 0.477 391 E N 4.871 125.012 120.200 -0.098 0.000 2.299 391 E HA 0.139 4.490 4.350 0.002 0.000 0.272 391 E C -0.230 176.335 176.600 -0.058 0.000 1.043 391 E CA -0.675 55.690 56.400 -0.058 0.000 0.895 391 E CB 0.491 30.174 29.700 -0.028 0.000 1.011 391 E HN 0.433 nan 8.360 nan 0.000 0.432 392 R N 2.272 122.746 120.500 -0.045 0.000 2.298 392 R HA 0.152 4.493 4.340 0.002 0.000 0.310 392 R C -0.304 175.997 176.300 0.001 0.000 1.068 392 R CA -0.384 55.700 56.100 -0.028 0.000 0.957 392 R CB 0.692 30.982 30.300 -0.016 0.000 1.003 392 R HN 0.299 nan 8.270 nan 0.000 0.454 393 V N 3.965 123.894 119.914 0.024 0.000 2.376 393 V HA 0.496 4.617 4.120 0.002 0.000 0.287 393 V C -2.299 173.911 176.094 0.194 0.000 1.015 393 V CA -2.316 60.019 62.300 0.060 0.000 0.834 393 V CB 1.881 33.716 31.823 0.021 0.000 1.001 393 V HN 0.577 nan 8.190 nan 0.000 0.428 394 P HA 0.215 nan 4.420 nan 0.000 0.272 394 P C -0.590 176.761 177.300 0.084 0.000 1.230 394 P CA -0.232 63.016 63.100 0.247 0.000 0.788 394 P CB 0.602 32.379 31.700 0.128 0.000 0.949 395 F N 1.550 121.325 119.950 -0.292 0.000 2.484 395 F HA 0.244 4.772 4.527 0.002 0.000 0.360 395 F C 0.200 175.870 175.800 -0.218 0.000 1.101 395 F CA 0.604 58.290 58.000 -0.523 0.000 1.251 395 F CB 0.450 38.971 39.000 -0.800 0.000 1.132 395 F HN 0.203 nan 8.300 nan 0.000 0.570 396 D N 4.554 124.321 120.400 -1.056 0.000 2.365 396 D HA 0.350 4.991 4.640 0.002 0.000 0.235 396 D C 0.358 176.128 176.300 -0.883 0.000 1.368 396 D CA 0.089 53.678 54.000 -0.684 0.000 1.001 396 D CB 1.394 41.978 40.800 -0.360 0.000 1.364 396 D HN 0.614 nan 8.370 nan 0.000 0.577 397 A N 3.353 125.752 122.820 -0.702 0.000 1.917 397 A HA -0.082 4.239 4.320 0.002 0.000 0.219 397 A C 2.258 179.699 177.584 -0.238 0.000 1.182 397 A CA 2.276 54.094 52.037 -0.365 0.000 0.633 397 A CB -0.778 18.225 19.000 0.005 0.000 0.819 397 A HN 0.688 nan 8.150 nan 0.000 0.448 398 A N -0.625 122.088 122.820 -0.177 0.000 1.884 398 A HA -0.173 4.148 4.320 0.002 0.000 0.219 398 A C 2.258 179.746 177.584 -0.159 0.000 1.197 398 A CA 2.781 54.767 52.037 -0.086 0.000 0.637 398 A CB -1.319 17.643 19.000 -0.064 0.000 0.827 398 A HN 1.004 nan 8.150 nan 0.000 0.450 399 T N -3.047 111.304 114.554 -0.338 0.000 3.145 399 T HA 0.305 4.656 4.350 0.002 0.000 0.255 399 T C 1.286 175.556 174.700 -0.716 0.000 1.039 399 T CA 0.513 62.306 62.100 -0.510 0.000 0.928 399 T CB 0.074 68.778 68.868 -0.273 0.000 1.029 399 T HN 0.206 nan 8.240 nan 0.000 0.554 400 L N 2.656 123.480 121.223 -0.665 0.000 2.046 400 L HA -0.049 4.292 4.340 0.002 0.000 0.208 400 L C 2.326 178.890 176.870 -0.509 0.000 1.077 400 L CA 2.164 56.732 54.840 -0.455 0.000 0.747 400 L CB -0.950 40.940 42.059 -0.280 0.000 0.896 400 L HN 0.577 nan 8.230 nan 0.000 0.432 401 H N -3.302 115.581 119.070 -0.311 0.000 2.518 401 H HA -0.094 4.464 4.556 0.003 0.000 0.292 401 H C 1.856 176.859 175.328 -0.541 0.000 1.068 401 H CA 1.474 57.172 56.048 -0.583 0.000 1.275 401 H CB -1.445 28.162 29.762 -0.257 0.000 1.375 401 H HN 0.311 nan 8.280 nan 0.000 0.563 402 T N -0.913 113.376 114.554 -0.441 0.000 3.100 402 T HA 0.108 4.459 4.350 0.002 0.000 0.253 402 T C 0.243 174.932 174.700 -0.018 0.000 1.118 402 T CA 0.685 62.733 62.100 -0.087 0.000 1.058 402 T CB -0.219 68.581 68.868 -0.113 0.000 0.953 402 T HN 0.406 nan 8.240 nan 0.000 0.515 403 S N 0.217 115.925 115.700 0.014 0.000 2.737 403 S HA 0.310 4.781 4.470 0.002 0.000 0.269 403 S C 1.141 175.857 174.600 0.194 0.000 1.150 403 S CA -0.209 58.042 58.200 0.086 0.000 1.077 403 S CB 1.154 64.345 63.200 -0.015 0.000 1.075 403 S HN 0.346 nan 8.310 nan 0.000 0.476 404 T N 2.379 117.013 114.554 0.132 0.000 2.904 404 T HA 0.037 4.388 4.350 0.002 0.000 0.267 404 T C 2.078 176.709 174.700 -0.115 0.000 1.059 404 T CA 1.070 63.139 62.100 -0.051 0.000 1.137 404 T CB -0.498 68.310 68.868 -0.100 0.000 0.879 404 T HN 0.750 nan 8.240 nan 0.000 0.467 405 A N 1.798 124.565 122.820 -0.087 0.000 1.917 405 A HA -0.022 4.298 4.320 0.002 0.000 0.219 405 A C 2.482 179.971 177.584 -0.158 0.000 1.182 405 A CA 1.969 53.907 52.037 -0.165 0.000 0.633 405 A CB -0.897 18.046 19.000 -0.096 0.000 0.819 405 A HN 0.576 nan 8.150 nan 0.000 0.448 406 M N -0.622 118.965 119.600 -0.023 0.000 2.099 406 M HA -0.106 4.375 4.480 0.002 0.000 0.262 406 M C 2.373 178.775 176.300 0.170 0.000 1.067 406 M CA 1.623 56.992 55.300 0.115 0.000 1.124 406 M CB -0.315 32.324 32.600 0.066 0.000 1.353 406 M HN 0.442 nan 8.290 nan 0.000 0.410 407 A N 0.449 123.323 122.820 0.091 0.000 1.892 407 A HA -0.197 4.124 4.320 0.002 0.000 0.218 407 A C 2.279 179.852 177.584 -0.019 0.000 1.188 407 A CA 2.365 54.442 52.037 0.066 0.000 0.631 407 A CB -1.297 17.664 19.000 -0.065 0.000 0.822 407 A HN 0.678 nan 8.150 nan 0.000 0.447 408 A N -1.172 121.514 122.820 -0.225 0.000 1.898 408 A HA -0.185 4.136 4.320 0.002 0.000 0.216 408 A C 2.106 179.452 177.584 -0.397 0.000 1.181 408 A CA 1.617 53.367 52.037 -0.477 0.000 0.620 408 A CB -0.512 17.764 19.000 -1.208 0.000 0.819 408 A HN 0.660 nan 8.150 nan 0.000 0.442 409 Q N -1.511 118.045 119.800 -0.406 0.000 2.311 409 Q HA -0.049 4.292 4.340 0.002 0.000 0.203 409 Q C 0.921 176.780 176.000 -0.236 0.000 0.954 409 Q CA 0.937 56.536 55.803 -0.340 0.000 0.885 409 Q CB 0.038 28.556 28.738 -0.365 0.000 0.963 409 Q HN 0.816 nan 8.270 nan 0.000 0.471 410 H N -1.906 117.196 119.070 0.054 0.000 2.893 410 H HA 0.202 4.759 4.556 0.002 0.000 0.270 410 H C 0.724 176.092 175.328 0.066 0.000 1.095 410 H CA 0.557 56.647 56.048 0.069 0.000 1.186 410 H CB 1.378 31.180 29.762 0.066 0.000 1.562 410 H HN 0.330 nan 8.280 nan 0.000 0.536 411 G N 2.135 111.057 108.800 0.203 0.000 2.246 411 G HA2 -0.248 3.713 3.960 0.002 0.000 0.273 411 G HA3 -0.248 3.713 3.960 0.002 0.000 0.273 411 G C 0.018 175.007 174.900 0.149 0.000 1.055 411 G CA 0.043 45.262 45.100 0.197 0.000 0.851 411 G HN 0.108 nan 8.290 nan 0.000 0.500 412 M N 0.550 120.230 119.600 0.133 0.000 2.046 412 M HA 0.303 4.784 4.480 0.002 0.000 0.309 412 M C 0.268 176.572 176.300 0.007 0.000 0.935 412 M CA -0.796 54.585 55.300 0.135 0.000 0.915 412 M CB 1.333 34.077 32.600 0.240 0.000 1.474 412 M HN 0.005 nan 8.290 nan 0.000 0.415 413 D N 1.710 121.911 120.400 -0.332 0.000 2.277 413 D HA -0.034 4.607 4.640 0.002 0.000 0.208 413 D C 0.286 176.588 176.300 0.004 0.000 0.962 413 D CA 1.288 55.070 54.000 -0.362 0.000 0.865 413 D CB 0.606 40.941 40.800 -0.773 0.000 0.939 413 D HN 0.702 nan 8.370 nan 0.000 0.510 414 D N -1.345 119.184 120.400 0.215 0.000 2.865 414 D HA -0.076 4.565 4.640 0.002 0.000 0.343 414 D C 0.094 176.641 176.300 0.411 0.000 1.372 414 D CA -0.482 53.763 54.000 0.407 0.000 0.862 414 D CB 0.254 41.344 40.800 0.484 0.000 1.425 414 D HN -0.226 nan 8.370 nan 0.000 0.501 415 D N -0.941 119.659 120.400 0.333 0.000 2.218 415 D HA 0.169 4.810 4.640 0.002 0.000 0.204 415 D C 1.673 178.080 176.300 0.178 0.000 0.976 415 D CA 1.534 55.692 54.000 0.264 0.000 0.853 415 D CB -0.436 40.486 40.800 0.205 0.000 0.939 415 D HN 1.134 nan 8.370 nan 0.000 0.481 416 G N -0.841 108.082 108.800 0.206 0.000 2.138 416 G HA2 -0.223 3.738 3.960 0.002 0.000 0.193 416 G HA3 -0.223 3.738 3.960 0.002 0.000 0.193 416 G C 0.780 175.758 174.900 0.131 0.000 0.998 416 G CA 0.524 45.620 45.100 -0.006 0.000 0.668 416 G HN 0.679 nan 8.290 nan 0.000 0.516 417 T N -1.646 113.059 114.554 0.252 0.000 3.134 417 T HA 0.571 4.922 4.350 0.002 0.000 0.260 417 T C 1.355 176.170 174.700 0.191 0.000 1.027 417 T CA 0.994 63.204 62.100 0.183 0.000 0.913 417 T CB 0.948 69.893 68.868 0.128 0.000 1.046 417 T HN 1.303 nan 8.240 nan 0.000 0.553 418 G N 1.008 109.973 108.800 0.274 0.000 2.634 418 G HA2 0.444 4.405 3.960 0.002 0.000 0.255 418 G HA3 0.444 4.405 3.960 0.002 0.000 0.255 418 G C -0.475 174.397 174.900 -0.048 0.000 1.205 418 G CA -0.805 44.276 45.100 -0.033 0.000 0.884 418 G HN 0.541 nan 8.290 nan 0.000 0.549 419 Q N -0.387 119.335 119.800 -0.130 0.000 2.352 419 Q HA 0.396 4.737 4.340 0.002 0.000 0.260 419 Q C -0.002 175.977 176.000 -0.035 0.000 0.976 419 Q CA 0.366 56.142 55.803 -0.045 0.000 0.881 419 Q CB 0.813 29.523 28.738 -0.047 0.000 1.235 419 Q HN 0.627 nan 8.270 nan 0.000 0.419 420 K N 0.576 121.025 120.400 0.083 0.000 2.523 420 K HA 0.397 4.717 4.320 0.002 0.000 0.257 420 K C -1.161 175.490 176.600 0.085 0.000 0.932 420 K CA -1.118 55.244 56.287 0.125 0.000 0.812 420 K CB 1.607 34.254 32.500 0.245 0.000 1.326 420 K HN 0.194 nan 8.250 nan 0.000 0.433 421 Q N 2.582 122.344 119.800 -0.063 0.000 2.271 421 Q HA 0.467 4.808 4.340 0.002 0.000 0.258 421 Q C -0.879 174.851 176.000 -0.449 0.000 0.936 421 Q CA -0.562 55.026 55.803 -0.358 0.000 0.909 421 Q CB 1.498 29.743 28.738 -0.821 0.000 1.253 421 Q HN 0.702 nan 8.270 nan 0.000 0.440 422 I N 2.198 122.486 120.570 -0.470 0.000 2.493 422 I HA 0.451 4.622 4.170 0.002 0.000 0.298 422 I C -0.458 175.504 176.117 -0.258 0.000 0.998 422 I CA -0.693 60.405 61.300 -0.336 0.000 1.137 422 I CB 1.606 39.246 38.000 -0.599 0.000 1.310 422 I HN 0.290 nan 8.210 nan 0.000 0.445 423 W N 4.493 125.921 121.300 0.213 0.000 2.950 423 W HA 0.519 5.180 4.660 0.001 0.000 0.340 423 W C -0.368 176.305 176.519 0.255 0.000 1.139 423 W CA -0.744 56.723 57.345 0.204 0.000 1.188 423 W CB 2.107 31.659 29.460 0.153 0.000 1.426 423 W HN 0.342 nan 8.180 nan 0.000 0.531 424 R N 1.150 121.871 120.500 0.368 0.000 2.532 424 R HA 0.595 4.936 4.340 0.002 0.000 0.295 424 R C -1.217 175.116 176.300 0.054 0.000 0.968 424 R CA -0.506 55.617 56.100 0.038 0.000 0.916 424 R CB 1.899 32.147 30.300 -0.087 0.000 1.124 424 R HN 0.258 nan 8.270 nan 0.000 0.463 425 V N 4.073 123.969 119.914 -0.030 0.000 2.385 425 V HA 0.218 4.339 4.120 0.002 0.000 0.269 425 V C -0.456 175.620 176.094 -0.030 0.000 1.043 425 V CA -0.171 62.124 62.300 -0.008 0.000 0.906 425 V CB 1.231 33.056 31.823 0.003 0.000 0.995 425 V HN 0.790 nan 8.190 nan 0.000 0.467 426 E N 3.839 124.031 120.200 -0.014 0.000 2.185 426 E HA 0.595 4.946 4.350 0.002 0.000 0.261 426 E C 0.743 177.334 176.600 -0.014 0.000 0.879 426 E CA 0.148 56.538 56.400 -0.017 0.000 0.756 426 E CB 1.860 31.554 29.700 -0.010 0.000 1.152 426 E HN 0.858 nan 8.360 nan 0.000 0.416 427 G N 3.082 111.872 108.800 -0.015 0.000 2.557 427 G HA2 -0.380 3.581 3.960 0.002 0.000 0.292 427 G HA3 -0.380 3.581 3.960 0.002 0.000 0.292 427 G C 0.681 175.569 174.900 -0.019 0.000 1.162 427 G CA 0.382 45.472 45.100 -0.016 0.000 0.964 427 G HN 0.818 nan 8.290 nan 0.000 0.541 428 S N 0.649 116.335 115.700 -0.022 0.000 2.588 428 S HA 0.553 5.024 4.470 0.002 0.000 0.245 428 S C 0.130 174.706 174.600 -0.040 0.000 1.021 428 S CA 0.465 58.647 58.200 -0.030 0.000 1.006 428 S CB -0.056 63.127 63.200 -0.029 0.000 0.830 428 S HN 0.746 nan 8.310 nan 0.000 0.468 429 N N 0.933 119.611 118.700 -0.037 0.000 2.265 429 N HA 0.420 5.161 4.740 0.002 0.000 0.300 429 N C -1.424 174.053 175.510 -0.054 0.000 1.148 429 N CA -0.911 52.111 53.050 -0.048 0.000 0.772 429 N CB 1.374 39.847 38.487 -0.023 0.000 1.434 429 N HN 0.124 nan 8.380 nan 0.000 0.481 430 K N 0.915 121.245 120.400 -0.116 0.000 2.201 430 K HA 0.495 4.816 4.320 0.002 0.000 0.278 430 K C -1.112 175.525 176.600 0.061 0.000 1.027 430 K CA -0.591 55.612 56.287 -0.140 0.000 0.909 430 K CB 1.403 33.517 32.500 -0.642 0.000 1.062 430 K HN 0.154 nan 8.250 nan 0.000 0.465 431 V N 5.100 125.174 119.914 0.266 0.000 2.443 431 V HA 0.210 4.331 4.120 0.002 0.000 0.293 431 V C -2.373 173.969 176.094 0.412 0.000 1.021 431 V CA -2.429 60.043 62.300 0.286 0.000 0.848 431 V CB 1.476 33.385 31.823 0.143 0.000 0.998 431 V HN 0.643 nan 8.190 nan 0.000 0.424 432 P HA 0.020 nan 4.420 nan 0.000 0.261 432 P C -0.144 177.249 177.300 0.155 0.000 1.183 432 P CA 0.353 63.569 63.100 0.193 0.000 0.761 432 P CB 0.383 32.163 31.700 0.134 0.000 0.785 433 V N 3.653 123.661 119.914 0.157 0.000 2.686 433 V HA 0.006 4.127 4.120 0.002 0.000 0.295 433 V C 0.863 177.081 176.094 0.206 0.000 1.055 433 V CA -0.093 62.325 62.300 0.196 0.000 1.050 433 V CB 0.597 32.539 31.823 0.197 0.000 0.984 433 V HN 0.530 nan 8.190 nan 0.000 0.482 434 D N 6.253 126.727 120.400 0.122 0.000 2.412 434 D HA 0.069 4.710 4.640 0.002 0.000 0.257 434 D C -1.503 174.787 176.300 -0.017 0.000 1.217 434 D CA -1.462 52.560 54.000 0.038 0.000 0.897 434 D CB 1.397 42.211 40.800 0.023 0.000 1.132 434 D HN 0.225 nan 8.370 nan 0.000 0.493 435 P HA -0.164 nan 4.420 nan 0.000 0.220 435 P C 0.891 177.980 177.300 -0.350 0.000 1.144 435 P CA 1.493 64.196 63.100 -0.661 0.000 0.800 435 P CB 0.121 31.503 31.700 -0.530 0.000 0.772 436 A N -0.496 122.232 122.820 -0.153 0.000 1.933 436 A HA -0.150 4.171 4.320 0.002 0.000 0.218 436 A C 2.029 179.592 177.584 -0.036 0.000 1.175 436 A CA 2.251 54.239 52.037 -0.081 0.000 0.628 436 A CB -1.723 17.246 19.000 -0.051 0.000 0.814 436 A HN 0.339 nan 8.150 nan 0.000 0.444 437 T N -4.191 110.366 114.554 0.005 0.000 3.129 437 T HA 0.160 4.511 4.350 0.002 0.000 0.251 437 T C 0.194 174.870 174.700 -0.039 0.000 1.117 437 T CA -0.378 61.722 62.100 0.001 0.000 1.034 437 T CB -0.487 68.403 68.868 0.037 0.000 0.968 437 T HN 0.215 nan 8.240 nan 0.000 0.526 438 Y N 2.488 122.665 120.300 -0.205 0.000 2.865 438 Y HA 0.319 4.870 4.550 0.001 0.000 0.338 438 Y C 1.744 177.370 175.900 -0.456 0.000 1.269 438 Y CA 0.739 58.691 58.100 -0.247 0.000 1.585 438 Y CB -0.571 37.872 38.460 -0.027 0.000 1.224 438 Y HN 0.464 nan 8.280 nan 0.000 0.554 439 G N 2.771 111.032 108.800 -0.898 0.000 2.218 439 G HA2 -0.206 3.754 3.960 0.002 0.000 0.216 439 G HA3 -0.206 3.754 3.960 0.002 0.000 0.216 439 G C 0.017 174.351 174.900 -0.943 0.000 0.994 439 G CA -0.385 43.844 45.100 -1.450 0.000 0.637 439 G HN 0.524 nan 8.290 nan 0.000 0.505 440 Q N -0.152 119.133 119.800 -0.858 0.000 2.325 440 Q HA 0.690 5.031 4.340 0.002 0.000 0.262 440 Q C -1.172 174.270 176.000 -0.930 0.000 0.968 440 Q CA -0.429 54.975 55.803 -0.666 0.000 0.877 440 Q CB 1.098 29.677 28.738 -0.266 0.000 1.253 440 Q HN 0.255 nan 8.270 nan 0.000 0.448 441 F N 1.542 121.104 119.950 -0.646 0.000 2.529 441 F HA 0.412 4.940 4.527 0.001 0.000 0.320 441 F C -0.769 174.870 175.800 -0.269 0.000 1.118 441 F CA -0.777 56.782 58.000 -0.735 0.000 0.915 441 F CB 1.258 39.344 39.000 -1.523 0.000 1.161 441 F HN 0.429 nan 8.300 nan 0.000 0.445 442 Y N 0.399 120.913 120.300 0.358 0.000 2.341 442 Y HA 0.390 4.941 4.550 0.001 0.000 0.337 442 Y C 1.203 177.452 175.900 0.582 0.000 1.014 442 Y CA -0.577 57.800 58.100 0.461 0.000 1.111 442 Y CB 1.994 40.685 38.460 0.385 0.000 1.194 442 Y HN 0.807 nan 8.280 nan 0.000 0.462 443 G N 1.319 110.483 108.800 0.605 0.000 2.625 443 G HA2 -0.104 3.857 3.960 0.002 0.000 0.214 443 G HA3 -0.104 3.857 3.960 0.002 0.000 0.214 443 G C 1.427 176.536 174.900 0.348 0.000 1.132 443 G CA 0.708 46.114 45.100 0.510 0.000 0.782 443 G HN 0.907 nan 8.290 nan 0.000 0.538 444 G N -0.580 108.423 108.800 0.338 0.000 2.939 444 G HA2 0.202 4.163 3.960 0.002 0.000 0.210 444 G HA3 0.202 4.163 3.960 0.002 0.000 0.210 444 G C 0.016 175.020 174.900 0.173 0.000 1.160 444 G CA -0.125 45.099 45.100 0.206 0.000 0.770 444 G HN 0.264 nan 8.290 nan 0.000 0.543 445 D N -0.190 120.369 120.400 0.264 0.000 2.384 445 D HA 0.611 5.252 4.640 0.002 0.000 0.250 445 D C -0.571 175.863 176.300 0.223 0.000 1.029 445 D CA -0.141 53.924 54.000 0.108 0.000 0.990 445 D CB 1.814 42.514 40.800 -0.166 0.000 1.175 445 D HN -0.108 nan 8.370 nan 0.000 0.532 446 S N -0.067 115.668 115.700 0.057 0.000 2.500 446 S HA 0.576 5.047 4.470 0.002 0.000 0.301 446 S C -1.128 173.540 174.600 0.114 0.000 1.092 446 S CA -0.635 57.697 58.200 0.220 0.000 1.030 446 S CB 0.815 64.088 63.200 0.123 0.000 1.031 446 S HN 0.252 nan 8.310 nan 0.000 0.483 447 Y N 1.398 121.960 120.300 0.436 0.000 2.598 447 Y HA 0.720 5.271 4.550 0.001 0.000 0.340 447 Y C 0.059 176.181 175.900 0.369 0.000 1.038 447 Y CA -1.276 57.070 58.100 0.410 0.000 1.100 447 Y CB 1.156 39.919 38.460 0.505 0.000 1.281 447 Y HN 0.664 nan 8.280 nan 0.000 0.488 448 I N 1.073 121.980 120.570 0.562 0.000 2.545 448 I HA 0.733 4.904 4.170 0.002 0.000 0.292 448 I C -1.813 174.649 176.117 0.575 0.000 1.040 448 I CA -0.745 60.854 61.300 0.498 0.000 1.068 448 I CB 1.428 39.640 38.000 0.353 0.000 1.251 448 I HN 0.463 nan 8.210 nan 0.000 0.424 449 I N 7.156 128.008 120.570 0.471 0.000 2.404 449 I HA 0.405 4.576 4.170 0.002 0.000 0.293 449 I C -0.902 175.455 176.117 0.399 0.000 0.992 449 I CA -0.637 60.894 61.300 0.385 0.000 1.149 449 I CB 1.804 40.011 38.000 0.346 0.000 1.315 449 I HN 0.502 nan 8.210 nan 0.000 0.446 450 L N 8.086 129.517 121.223 0.347 0.000 2.280 450 L HA 0.478 4.819 4.340 0.002 0.000 0.287 450 L C -1.541 175.499 176.870 0.283 0.000 1.023 450 L CA -0.354 54.683 54.840 0.328 0.000 0.819 450 L CB 0.576 42.869 42.059 0.389 0.000 1.212 450 L HN 0.503 nan 8.230 nan 0.000 0.420 451 Y N 4.700 125.109 120.300 0.182 0.000 2.364 451 Y HA 0.555 5.107 4.550 0.003 0.000 0.340 451 Y C -0.610 175.401 175.900 0.185 0.000 0.975 451 Y CA -0.693 57.520 58.100 0.187 0.000 1.089 451 Y CB 1.283 39.907 38.460 0.272 0.000 1.192 451 Y HN 0.656 nan 8.280 nan 0.000 0.454 452 N N 5.120 123.491 118.700 -0.549 0.000 2.426 452 N HA 0.190 4.930 4.740 0.002 0.000 0.275 452 N C -1.536 173.629 175.510 -0.575 0.000 1.019 452 N CA -0.307 52.501 53.050 -0.404 0.000 0.941 452 N CB 0.748 39.070 38.487 -0.274 0.000 1.123 452 N HN 0.618 nan 8.380 nan 0.000 0.486 453 Y N -0.274 119.960 120.300 -0.110 0.000 2.409 453 Y HA 0.793 5.345 4.550 0.003 0.000 0.339 453 Y C -0.637 175.343 175.900 0.132 0.000 1.033 453 Y CA -1.236 56.961 58.100 0.161 0.000 1.094 453 Y CB 1.116 39.826 38.460 0.416 0.000 1.210 453 Y HN 0.190 nan 8.280 nan 0.000 0.456 454 R N 2.568 123.284 120.500 0.360 0.000 2.513 454 R HA 0.298 4.639 4.340 0.002 0.000 0.301 454 R C -1.060 175.474 176.300 0.391 0.000 0.968 454 R CA -0.703 55.556 56.100 0.266 0.000 0.872 454 R CB 0.681 31.063 30.300 0.137 0.000 1.177 454 R HN 0.905 nan 8.270 nan 0.000 0.444 455 H N 2.440 121.674 119.070 0.274 0.000 2.676 455 H HA 0.161 4.717 4.556 0.001 0.000 0.238 455 H C 0.864 176.306 175.328 0.190 0.000 1.276 455 H CA 0.554 56.747 56.048 0.242 0.000 0.983 455 H CB 0.535 30.441 29.762 0.240 0.000 2.000 455 H HN 0.851 nan 8.280 nan 0.000 0.584 456 G N 1.386 110.270 108.800 0.139 0.000 4.217 456 G HA2 -0.553 3.408 3.960 0.002 0.000 0.366 456 G HA3 -0.553 3.408 3.960 0.002 0.000 0.366 456 G C 1.818 176.799 174.900 0.135 0.000 1.707 456 G CA 2.555 47.709 45.100 0.089 0.000 1.697 456 G HN 0.694 nan 8.290 nan 0.000 0.855 457 S N 0.683 116.492 115.700 0.181 0.000 2.393 457 S HA -0.185 4.286 4.470 0.002 0.000 0.234 457 S C 1.292 176.013 174.600 0.201 0.000 1.064 457 S CA 2.344 60.667 58.200 0.204 0.000 1.088 457 S CB -0.065 63.297 63.200 0.270 0.000 0.939 457 S HN 0.929 nan 8.310 nan 0.000 0.448 458 R N 0.503 121.160 120.500 0.262 0.000 2.628 458 R HA 0.490 4.831 4.340 0.002 0.000 0.288 458 R C -1.278 175.145 176.300 0.205 0.000 0.980 458 R CA -0.563 55.680 56.100 0.239 0.000 0.891 458 R CB 1.676 32.149 30.300 0.289 0.000 1.188 458 R HN 0.462 nan 8.270 nan 0.000 0.450 459 Q N 0.726 120.548 119.800 0.037 0.000 2.399 459 Q HA 0.758 5.099 4.340 0.002 0.000 0.276 459 Q C -0.480 175.229 176.000 -0.486 0.000 1.098 459 Q CA -1.087 54.581 55.803 -0.225 0.000 0.827 459 Q CB 2.731 31.397 28.738 -0.120 0.000 1.386 459 Q HN 0.837 nan 8.270 nan 0.000 0.443 460 G N 0.369 108.571 108.800 -0.997 0.000 2.341 460 G HA2 0.283 4.244 3.960 0.002 0.000 0.299 460 G HA3 0.283 4.244 3.960 0.002 0.000 0.299 460 G C -1.922 172.634 174.900 -0.574 0.000 1.274 460 G CA -0.652 44.003 45.100 -0.743 0.000 0.853 460 G HN 0.405 nan 8.290 nan 0.000 0.493 461 Q N -0.668 119.092 119.800 -0.068 0.000 2.372 461 Q HA 0.650 4.991 4.340 0.002 0.000 0.273 461 Q C -1.117 175.044 176.000 0.268 0.000 1.078 461 Q CA -0.674 55.197 55.803 0.114 0.000 0.806 461 Q CB 3.064 31.823 28.738 0.034 0.000 1.332 461 Q HN 0.500 nan 8.270 nan 0.000 0.435 462 I N 2.314 123.069 120.570 0.308 0.000 2.474 462 I HA 0.483 4.654 4.170 0.002 0.000 0.294 462 I C -0.615 175.529 176.117 0.044 0.000 1.005 462 I CA -0.823 60.542 61.300 0.109 0.000 1.113 462 I CB 1.761 39.763 38.000 0.004 0.000 1.289 462 I HN 0.430 nan 8.210 nan 0.000 0.436 463 I N 5.783 126.312 120.570 -0.068 0.000 2.354 463 I HA 0.291 4.462 4.170 0.002 0.000 0.286 463 I C -1.077 174.983 176.117 -0.095 0.000 1.007 463 I CA -0.568 60.743 61.300 0.019 0.000 1.167 463 I CB 0.839 38.876 38.000 0.062 0.000 1.320 463 I HN 0.379 nan 8.210 nan 0.000 0.458 464 Y N 4.862 125.267 120.300 0.176 0.000 2.320 464 Y HA 0.225 4.776 4.550 0.001 0.000 0.334 464 Y C 0.629 176.638 175.900 0.182 0.000 1.055 464 Y CA -0.487 57.702 58.100 0.147 0.000 1.143 464 Y CB 0.967 39.499 38.460 0.119 0.000 1.193 464 Y HN 0.494 nan 8.280 nan 0.000 0.477 465 N N 4.078 122.958 118.700 0.299 0.000 2.621 465 N HA 0.080 4.821 4.740 0.002 0.000 0.237 465 N C -1.460 174.209 175.510 0.265 0.000 0.997 465 N CA -0.517 52.689 53.050 0.260 0.000 0.918 465 N CB 0.403 38.978 38.487 0.146 0.000 1.122 465 N HN 0.706 nan 8.380 nan 0.000 0.510 466 W N 3.641 125.028 121.300 0.146 0.000 2.311 466 W HA 0.216 4.877 4.660 0.001 0.000 0.310 466 W C -0.526 176.081 176.519 0.147 0.000 1.274 466 W CA -0.261 57.128 57.345 0.074 0.000 1.215 466 W CB 0.761 30.179 29.460 -0.069 0.000 1.227 466 W HN 0.368 nan 8.180 nan 0.000 0.523 467 Q N 5.113 124.664 119.800 -0.414 0.000 2.363 467 Q HA 0.321 4.662 4.340 0.002 0.000 0.265 467 Q C 0.431 176.054 176.000 -0.628 0.000 1.032 467 Q CA -0.746 54.875 55.803 -0.303 0.000 0.746 467 Q CB 1.570 30.186 28.738 -0.203 0.000 1.237 467 Q HN 0.697 nan 8.270 nan 0.000 0.475 468 G N 1.060 109.636 108.800 -0.373 0.000 2.414 468 G HA2 0.164 4.125 3.960 0.002 0.000 0.236 468 G HA3 0.164 4.125 3.960 0.002 0.000 0.236 468 G C 0.888 175.681 174.900 -0.178 0.000 1.293 468 G CA 0.222 45.163 45.100 -0.265 0.000 0.869 468 G HN 0.756 nan 8.290 nan 0.000 0.556 469 A N 1.564 124.295 122.820 -0.148 0.000 2.067 469 A HA -0.037 4.284 4.320 0.002 0.000 0.219 469 A C 2.030 179.597 177.584 -0.028 0.000 1.158 469 A CA 1.567 53.550 52.037 -0.091 0.000 0.661 469 A CB -0.037 18.924 19.000 -0.065 0.000 0.801 469 A HN 0.656 nan 8.150 nan 0.000 0.452 470 Q N -0.821 118.994 119.800 0.024 0.000 2.247 470 Q HA 0.204 4.545 4.340 0.002 0.000 0.211 470 Q C 0.391 176.420 176.000 0.048 0.000 0.861 470 Q CA -0.186 55.643 55.803 0.043 0.000 0.949 470 Q CB 0.461 29.244 28.738 0.075 0.000 1.115 470 Q HN 0.491 nan 8.270 nan 0.000 0.507 471 S N 0.839 116.565 115.700 0.044 0.000 2.562 471 S HA 0.061 4.532 4.470 0.002 0.000 0.281 471 S C 0.313 174.921 174.600 0.013 0.000 1.333 471 S CA -0.390 57.835 58.200 0.042 0.000 1.052 471 S CB 0.556 63.781 63.200 0.042 0.000 0.884 471 S HN 0.403 nan 8.310 nan 0.000 0.506 472 T N 3.313 117.874 114.554 0.012 0.000 2.900 472 T HA 0.161 4.512 4.350 0.002 0.000 0.307 472 T C 1.161 175.857 174.700 -0.007 0.000 1.065 472 T CA -0.529 61.571 62.100 0.001 0.000 1.105 472 T CB 0.519 69.387 68.868 0.000 0.000 0.979 472 T HN 0.622 nan 8.240 nan 0.000 0.544 473 Q N 1.335 121.127 119.800 -0.013 0.000 2.096 473 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 473 Q C 2.179 178.169 176.000 -0.018 0.000 0.982 473 Q CA 2.137 57.929 55.803 -0.019 0.000 0.850 473 Q CB -0.593 28.132 28.738 -0.021 0.000 0.901 473 Q HN 0.967 nan 8.270 nan 0.000 0.422 474 D N -0.196 120.195 120.400 -0.015 0.000 2.144 474 D HA -0.194 4.447 4.640 0.002 0.000 0.199 474 D C 1.332 177.624 176.300 -0.013 0.000 0.984 474 D CA 1.030 55.021 54.000 -0.015 0.000 0.834 474 D CB -0.232 40.560 40.800 -0.014 0.000 0.955 474 D HN 0.363 nan 8.370 nan 0.000 0.465 475 E N 0.432 120.626 120.200 -0.010 0.000 2.072 475 E HA -0.058 4.293 4.350 0.002 0.000 0.190 475 E C 2.537 179.136 176.600 -0.002 0.000 0.982 475 E CA 0.335 56.730 56.400 -0.007 0.000 0.803 475 E CB 0.161 29.858 29.700 -0.005 0.000 0.755 475 E HN 0.130 nan 8.360 nan 0.000 0.453 476 V N 1.778 121.690 119.914 -0.005 0.000 2.233 476 V HA -0.320 3.801 4.120 0.002 0.000 0.247 476 V C 2.440 178.528 176.094 -0.010 0.000 1.050 476 V CA 2.137 64.432 62.300 -0.008 0.000 1.010 476 V CB -0.793 31.014 31.823 -0.027 0.000 0.637 476 V HN 0.310 nan 8.190 nan 0.000 0.444 477 A N -0.309 122.501 122.820 -0.018 0.000 1.908 477 A HA -0.164 4.157 4.320 0.002 0.000 0.218 477 A C 2.410 179.984 177.584 -0.017 0.000 1.181 477 A CA 2.320 54.345 52.037 -0.020 0.000 0.627 477 A CB -0.856 18.130 19.000 -0.023 0.000 0.818 477 A HN 0.622 nan 8.150 nan 0.000 0.445 478 A N 0.418 123.229 122.820 -0.015 0.000 1.883 478 A HA -0.138 4.183 4.320 0.002 0.000 0.217 478 A C 2.552 180.128 177.584 -0.013 0.000 1.186 478 A CA 2.613 54.640 52.037 -0.017 0.000 0.624 478 A CB -1.169 17.820 19.000 -0.017 0.000 0.822 478 A HN 1.116 nan 8.150 nan 0.000 0.444 479 S N 0.324 116.026 115.700 0.004 0.000 2.383 479 S HA -0.061 4.410 4.470 0.002 0.000 0.229 479 S C 2.073 176.686 174.600 0.022 0.000 1.030 479 S CA 1.615 59.831 58.200 0.027 0.000 1.002 479 S CB -0.754 62.485 63.200 0.065 0.000 0.829 479 S HN 0.973 nan 8.310 nan 0.000 0.467 480 A N 1.849 124.674 122.820 0.008 0.000 1.873 480 A HA 0.126 4.447 4.320 0.002 0.000 0.215 480 A C 2.248 179.824 177.584 -0.014 0.000 1.186 480 A CA 1.427 53.464 52.037 -0.001 0.000 0.616 480 A CB -0.830 18.162 19.000 -0.013 0.000 0.823 480 A HN 0.566 nan 8.150 nan 0.000 0.442 481 I N -0.456 120.101 120.570 -0.022 0.000 2.226 481 I HA -0.243 3.928 4.170 0.002 0.000 0.245 481 I C 2.331 178.424 176.117 -0.040 0.000 1.100 481 I CA 1.021 62.302 61.300 -0.032 0.000 1.374 481 I CB -0.212 37.768 38.000 -0.033 0.000 1.057 481 I HN 0.271 nan 8.210 nan 0.000 0.413 482 L N -0.331 120.867 121.223 -0.043 0.000 2.093 482 L HA -0.174 4.167 4.340 0.002 0.000 0.208 482 L C 2.561 179.391 176.870 -0.067 0.000 1.085 482 L CA 1.313 56.111 54.840 -0.069 0.000 0.755 482 L CB -0.725 41.285 42.059 -0.081 0.000 0.904 482 L HN 0.236 nan 8.230 nan 0.000 0.435 483 T N -0.155 114.383 114.554 -0.027 0.000 2.674 483 T HA -0.203 4.148 4.350 0.002 0.000 0.265 483 T C 2.017 176.703 174.700 -0.023 0.000 1.039 483 T CA 1.414 63.512 62.100 -0.004 0.000 1.150 483 T CB -0.307 68.578 68.868 0.028 0.000 0.864 483 T HN 0.442 nan 8.240 nan 0.000 0.427 484 A N 1.212 124.015 122.820 -0.029 0.000 1.940 484 A HA -0.189 4.132 4.320 0.002 0.000 0.219 484 A C 2.288 179.842 177.584 -0.050 0.000 1.176 484 A CA 1.590 53.603 52.037 -0.039 0.000 0.631 484 A CB -0.623 18.354 19.000 -0.038 0.000 0.814 484 A HN 0.548 nan 8.150 nan 0.000 0.446 485 Q N -1.433 118.333 119.800 -0.056 0.000 2.123 485 Q HA -0.082 4.259 4.340 0.002 0.000 0.199 485 Q C 2.081 178.038 176.000 -0.072 0.000 0.966 485 Q CA 1.227 56.991 55.803 -0.065 0.000 0.845 485 Q CB -0.232 28.463 28.738 -0.072 0.000 0.907 485 Q HN 0.591 nan 8.270 nan 0.000 0.439 486 L N 1.187 122.362 121.223 -0.080 0.000 2.083 486 L HA -0.187 4.154 4.340 0.002 0.000 0.209 486 L C 1.600 178.441 176.870 -0.048 0.000 1.083 486 L CA 1.957 56.750 54.840 -0.077 0.000 0.752 486 L CB -0.434 41.573 42.059 -0.086 0.000 0.899 486 L HN 0.135 nan 8.230 nan 0.000 0.433 487 D N -0.746 119.626 120.400 -0.046 0.000 2.092 487 D HA -0.266 4.375 4.640 0.002 0.000 0.193 487 D C 2.133 178.389 176.300 -0.073 0.000 0.994 487 D CA 1.698 55.664 54.000 -0.056 0.000 0.828 487 D CB -0.002 40.763 40.800 -0.059 0.000 0.963 487 D HN 0.488 nan 8.370 nan 0.000 0.450 488 E N -0.294 119.864 120.200 -0.070 0.000 2.051 488 E HA -0.203 4.148 4.350 0.002 0.000 0.192 488 E C 1.917 178.477 176.600 -0.067 0.000 0.991 488 E CA 1.157 57.514 56.400 -0.072 0.000 0.799 488 E CB 0.035 29.698 29.700 -0.063 0.000 0.748 488 E HN 0.465 nan 8.360 nan 0.000 0.449 489 E N -0.109 120.055 120.200 -0.060 0.000 2.268 489 E HA -0.162 4.188 4.350 0.002 0.000 0.195 489 E C 1.337 177.909 176.600 -0.047 0.000 0.995 489 E CA 0.353 56.722 56.400 -0.051 0.000 0.836 489 E CB 0.131 29.801 29.700 -0.050 0.000 0.763 489 E HN 0.152 nan 8.360 nan 0.000 0.491 490 L N -0.344 120.847 121.223 -0.054 0.000 2.628 490 L HA 0.261 4.602 4.340 0.002 0.000 0.229 490 L C 1.204 178.019 176.870 -0.092 0.000 1.137 490 L CA 0.954 55.761 54.840 -0.054 0.000 0.909 490 L CB 0.339 42.377 42.059 -0.035 0.000 1.137 490 L HN 0.264 nan 8.230 nan 0.000 0.470 491 G N -1.660 107.078 108.800 -0.104 0.000 2.201 491 G HA2 -0.110 3.851 3.960 0.002 0.000 0.212 491 G HA3 -0.110 3.851 3.960 0.002 0.000 0.212 491 G C 1.098 175.885 174.900 -0.189 0.000 0.994 491 G CA 0.026 45.045 45.100 -0.135 0.000 0.644 491 G HN 0.878 nan 8.290 nan 0.000 0.508 492 G N -1.142 107.547 108.800 -0.186 0.000 2.217 492 G HA2 -0.137 3.824 3.960 0.002 0.000 0.246 492 G HA3 -0.137 3.824 3.960 0.002 0.000 0.246 492 G C 1.846 176.562 174.900 -0.306 0.000 0.990 492 G CA 1.931 46.905 45.100 -0.210 0.000 0.627 492 G HN 2.158 nan 8.290 nan 0.000 0.522 493 T N -1.178 113.117 114.554 -0.432 0.000 2.857 493 T HA 0.193 4.544 4.350 0.002 0.000 0.266 493 T C -0.876 173.659 174.700 -0.276 0.000 1.048 493 T CA 1.042 62.755 62.100 -0.645 0.000 1.139 493 T CB -0.772 67.608 68.868 -0.813 0.000 0.874 493 T HN 0.437 nan 8.240 nan 0.000 0.455 494 P HA 0.332 nan 4.420 nan 0.000 0.269 494 P C -0.103 177.188 177.300 -0.015 0.000 1.209 494 P CA -0.456 62.622 63.100 -0.036 0.000 0.776 494 P CB 0.595 32.284 31.700 -0.019 0.000 0.876 495 V N 3.041 122.983 119.914 0.047 0.000 2.872 495 V HA 0.015 4.136 4.120 0.002 0.000 0.307 495 V C 0.591 176.662 176.094 -0.039 0.000 1.072 495 V CA 0.611 62.922 62.300 0.018 0.000 1.148 495 V CB 0.076 31.926 31.823 0.045 0.000 0.954 495 V HN 0.552 nan 8.190 nan 0.000 0.490 496 Q N 2.252 122.021 119.800 -0.051 0.000 2.294 496 Q HA 0.470 4.811 4.340 0.002 0.000 0.264 496 Q C -1.117 174.846 176.000 -0.061 0.000 0.992 496 Q CA -0.142 55.627 55.803 -0.058 0.000 0.747 496 Q CB 1.726 30.440 28.738 -0.039 0.000 1.262 496 Q HN 0.763 nan 8.270 nan 0.000 0.452 497 S N 3.768 119.416 115.700 -0.087 0.000 2.659 497 S HA 0.432 4.903 4.470 0.002 0.000 0.312 497 S C -1.068 173.568 174.600 0.060 0.000 1.114 497 S CA -0.687 57.490 58.200 -0.038 0.000 1.063 497 S CB 0.788 63.923 63.200 -0.109 0.000 0.996 497 S HN 0.690 nan 8.310 nan 0.000 0.478 498 R N 3.981 124.501 120.500 0.032 0.000 2.221 498 R HA 0.612 4.953 4.340 0.002 0.000 0.327 498 R C -0.599 175.713 176.300 0.020 0.000 1.033 498 R CA -0.353 55.765 56.100 0.030 0.000 0.887 498 R CB 0.860 31.151 30.300 -0.015 0.000 1.057 498 R HN 0.488 nan 8.270 nan 0.000 0.455 499 V N 3.853 123.781 119.914 0.023 0.000 2.864 499 V HA 0.663 4.784 4.120 0.002 0.000 0.314 499 V C -1.237 174.713 176.094 -0.240 0.000 1.073 499 V CA -0.599 61.668 62.300 -0.055 0.000 0.956 499 V CB 2.290 34.133 31.823 0.033 0.000 1.023 499 V HN 0.532 nan 8.190 nan 0.000 0.435 500 V N 4.981 124.720 119.914 -0.291 0.000 2.555 500 V HA 0.441 4.562 4.120 0.002 0.000 0.302 500 V C 0.130 175.933 176.094 -0.485 0.000 1.038 500 V CA -0.554 61.490 62.300 -0.426 0.000 0.887 500 V CB 1.550 33.216 31.823 -0.262 0.000 0.991 500 V HN 1.142 nan 8.190 nan 0.000 0.434 501 Q N 2.458 121.808 119.800 -0.750 0.000 2.368 501 Q HA 0.179 4.520 4.340 0.002 0.000 0.331 501 Q C 1.220 177.152 176.000 -0.113 0.000 1.086 501 Q CA 1.604 57.160 55.803 -0.412 0.000 1.031 501 Q CB 0.078 28.601 28.738 -0.359 0.000 1.125 501 Q HN 1.290 nan 8.270 nan 0.000 0.389 502 G N 3.729 112.548 108.800 0.032 0.000 2.317 502 G HA2 -0.220 3.741 3.960 0.002 0.000 0.227 502 G HA3 -0.220 3.741 3.960 0.002 0.000 0.227 502 G C 0.184 175.080 174.900 -0.006 0.000 1.042 502 G CA 0.204 45.311 45.100 0.011 0.000 0.623 502 G HN 0.545 nan 8.290 nan 0.000 0.509 503 K N 1.789 122.167 120.400 -0.036 0.000 2.901 503 K HA 0.401 4.722 4.320 0.002 0.000 0.199 503 K C -0.282 176.300 176.600 -0.030 0.000 1.140 503 K CA -0.217 56.046 56.287 -0.041 0.000 1.030 503 K CB 0.809 33.265 32.500 -0.073 0.000 1.437 503 K HN 0.455 nan 8.250 nan 0.000 0.552 504 E N 2.526 122.728 120.200 0.003 0.000 2.316 504 E HA 0.132 4.483 4.350 0.002 0.000 0.275 504 E C -2.128 174.456 176.600 -0.026 0.000 1.029 504 E CA -1.599 54.803 56.400 0.003 0.000 0.871 504 E CB 0.479 30.184 29.700 0.008 0.000 1.022 504 E HN 0.200 nan 8.360 nan 0.000 0.418 505 P HA 0.030 nan 4.420 nan 0.000 0.274 505 P C -0.070 177.209 177.300 -0.036 0.000 1.246 505 P CA -0.199 62.893 63.100 -0.013 0.000 0.795 505 P CB 1.148 32.868 31.700 0.034 0.000 1.006 506 A N 1.060 123.884 122.820 0.006 0.000 1.908 506 A HA -0.265 4.056 4.320 0.002 0.000 0.218 506 A C 2.227 179.781 177.584 -0.051 0.000 1.181 506 A CA 2.214 54.240 52.037 -0.018 0.000 0.627 506 A CB -1.843 17.166 19.000 0.014 0.000 0.818 506 A HN 0.752 nan 8.150 nan 0.000 0.445 507 H N -1.013 117.993 119.070 -0.108 0.000 2.395 507 H HA 0.006 4.563 4.556 0.001 0.000 0.299 507 H C 1.720 176.852 175.328 -0.327 0.000 1.070 507 H CA 1.515 57.475 56.048 -0.148 0.000 1.356 507 H CB -0.153 29.600 29.762 -0.016 0.000 1.401 507 H HN 0.327 nan 8.280 nan 0.000 0.524 508 L N -0.158 120.765 121.223 -0.500 0.000 2.093 508 L HA -0.070 4.270 4.340 0.002 0.000 0.208 508 L C 1.988 178.573 176.870 -0.474 0.000 1.085 508 L CA 1.503 55.881 54.840 -0.770 0.000 0.755 508 L CB -0.492 41.020 42.059 -0.911 0.000 0.904 508 L HN 0.359 nan 8.230 nan 0.000 0.435 509 M N -0.947 118.490 119.600 -0.270 0.000 2.213 509 M HA -0.119 4.362 4.480 0.002 0.000 0.263 509 M C 1.778 178.014 176.300 -0.107 0.000 1.062 509 M CA 1.680 56.922 55.300 -0.096 0.000 1.105 509 M CB -0.476 32.076 32.600 -0.081 0.000 1.385 509 M HN 0.548 nan 8.290 nan 0.000 0.417 510 S N -0.176 115.354 115.700 -0.284 0.000 2.614 510 S HA 0.218 4.688 4.470 0.002 0.000 0.230 510 S C 1.154 175.500 174.600 -0.423 0.000 0.952 510 S CA -0.327 57.715 58.200 -0.262 0.000 0.949 510 S CB -0.451 62.619 63.200 -0.217 0.000 0.786 510 S HN 0.463 nan 8.310 nan 0.000 0.478 511 L N 0.066 120.826 121.223 -0.773 0.000 2.591 511 L HA 0.343 4.684 4.340 0.002 0.000 0.228 511 L C 0.030 176.424 176.870 -0.793 0.000 1.133 511 L CA 0.414 54.696 54.840 -0.930 0.000 0.880 511 L CB -0.335 40.988 42.059 -1.227 0.000 1.033 511 L HN 0.420 nan 8.230 nan 0.000 0.450 512 F N -0.329 119.582 119.950 -0.065 0.000 2.908 512 F HA 0.421 4.949 4.527 0.002 0.000 0.328 512 F C 1.521 177.316 175.800 -0.007 0.000 1.211 512 F CA -0.204 57.784 58.000 -0.019 0.000 1.291 512 F CB 0.160 39.135 39.000 -0.041 0.000 0.962 512 F HN 0.095 nan 8.300 nan 0.000 0.505 513 G N 1.207 110.060 108.800 0.089 0.000 2.574 513 G HA2 -0.309 3.652 3.960 0.002 0.000 0.286 513 G HA3 -0.309 3.652 3.960 0.002 0.000 0.286 513 G C 1.223 176.159 174.900 0.060 0.000 1.212 513 G CA -0.039 45.103 45.100 0.070 0.000 0.979 513 G HN 0.601 nan 8.290 nan 0.000 0.557 514 G N 0.091 108.922 108.800 0.052 0.000 3.042 514 G HA2 0.398 4.359 3.960 0.002 0.000 0.212 514 G HA3 0.398 4.359 3.960 0.002 0.000 0.212 514 G C 0.733 175.653 174.900 0.033 0.000 1.166 514 G CA 1.013 46.135 45.100 0.038 0.000 0.767 514 G HN 0.672 nan 8.290 nan 0.000 0.546 515 K N 1.418 121.847 120.400 0.049 0.000 2.319 515 K HA 0.252 4.573 4.320 0.002 0.000 0.265 515 K C -2.070 174.543 176.600 0.021 0.000 1.000 515 K CA -1.207 55.093 56.287 0.021 0.000 0.943 515 K CB 0.838 33.349 32.500 0.018 0.000 0.950 515 K HN 0.064 nan 8.250 nan 0.000 0.485 516 P HA 0.043 nan 4.420 nan 0.000 0.276 516 P C -0.966 176.247 177.300 -0.145 0.000 1.244 516 P CA -0.380 62.682 63.100 -0.064 0.000 0.801 516 P CB 0.726 32.368 31.700 -0.096 0.000 1.006 517 M N 2.817 122.341 119.600 -0.126 0.000 2.143 517 M HA 0.234 4.715 4.480 0.002 0.000 0.348 517 M C -0.434 175.701 176.300 -0.275 0.000 1.375 517 M CA -0.338 54.805 55.300 -0.262 0.000 1.124 517 M CB -0.170 32.372 32.600 -0.096 0.000 1.669 517 M HN 0.162 nan 8.290 nan 0.000 0.469 518 I N 6.112 126.449 120.570 -0.388 0.000 2.331 518 I HA 0.310 4.481 4.170 0.002 0.000 0.292 518 I C -0.564 175.240 176.117 -0.522 0.000 0.998 518 I CA -0.663 60.358 61.300 -0.465 0.000 1.267 518 I CB 1.049 38.683 38.000 -0.611 0.000 1.386 518 I HN 0.369 nan 8.210 nan 0.000 0.476 519 V N 7.656 127.322 119.914 -0.412 0.000 2.409 519 V HA 0.324 4.445 4.120 0.002 0.000 0.290 519 V C -0.572 175.381 176.094 -0.235 0.000 1.017 519 V CA -0.628 61.501 62.300 -0.284 0.000 0.841 519 V CB 1.277 33.086 31.823 -0.024 0.000 1.003 519 V HN 0.445 nan 8.190 nan 0.000 0.426 520 Y N 3.438 123.704 120.300 -0.057 0.000 2.304 520 Y HA 0.233 4.784 4.550 0.002 0.000 0.328 520 Y C 1.451 177.374 175.900 0.038 0.000 1.123 520 Y CA -0.417 57.655 58.100 -0.046 0.000 1.218 520 Y CB 1.328 39.634 38.460 -0.256 0.000 1.207 520 Y HN 0.664 nan 8.280 nan 0.000 0.495 521 K N 1.591 122.090 120.400 0.164 0.000 2.228 521 K HA 0.056 4.377 4.320 0.002 0.000 0.202 521 K C 1.098 177.790 176.600 0.153 0.000 1.051 521 K CA 0.796 57.155 56.287 0.120 0.000 0.960 521 K CB -0.204 32.307 32.500 0.019 0.000 0.743 521 K HN 0.839 nan 8.250 nan 0.000 0.458 522 G N 0.637 109.540 108.800 0.172 0.000 2.441 522 G HA2 0.229 4.190 3.960 0.002 0.000 0.258 522 G HA3 0.229 4.190 3.960 0.002 0.000 0.258 522 G C 0.629 175.672 174.900 0.239 0.000 1.487 522 G CA -0.121 45.079 45.100 0.168 0.000 1.058 522 G HN 0.373 nan 8.290 nan 0.000 0.552 523 G N -1.775 107.159 108.800 0.224 0.000 2.913 523 G HA2 0.386 4.347 3.960 0.002 0.000 0.145 523 G HA3 0.386 4.347 3.960 0.002 0.000 0.145 523 G C 0.396 175.450 174.900 0.256 0.000 1.801 523 G CA 1.128 46.342 45.100 0.189 0.000 1.033 523 G HN 0.841 nan 8.290 nan 0.000 0.495 524 T N -2.269 112.319 114.554 0.056 0.000 2.841 524 T HA 0.477 4.828 4.350 0.002 0.000 0.276 524 T C 0.487 174.831 174.700 -0.594 0.000 1.003 524 T CA 0.320 62.352 62.100 -0.113 0.000 0.995 524 T CB 1.493 70.322 68.868 -0.066 0.000 1.260 524 T HN 0.892 nan 8.240 nan 0.000 0.581 525 S N 0.517 115.889 115.700 -0.547 0.000 2.941 525 S HA 0.307 4.778 4.470 0.002 0.000 0.251 525 S C 0.329 174.791 174.600 -0.230 0.000 1.029 525 S CA -0.839 57.011 58.200 -0.583 0.000 1.062 525 S CB -0.239 62.576 63.200 -0.642 0.000 0.977 525 S HN 0.842 nan 8.310 nan 0.000 0.552 526 R N 1.318 121.720 120.500 -0.162 0.000 2.541 526 R HA 0.478 4.819 4.340 0.002 0.000 0.254 526 R C 0.966 177.223 176.300 -0.072 0.000 1.130 526 R CA -0.227 55.822 56.100 -0.085 0.000 1.152 526 R CB 0.187 30.450 30.300 -0.062 0.000 1.222 526 R HN 0.324 nan 8.270 nan 0.000 0.579 527 E N 0.507 120.682 120.200 -0.042 0.000 2.879 527 E HA -0.301 4.050 4.350 0.002 0.000 0.329 527 E C 0.481 177.058 176.600 -0.040 0.000 1.106 527 E CA 1.666 58.047 56.400 -0.032 0.000 1.303 527 E CB -1.039 28.648 29.700 -0.022 0.000 1.056 527 E HN 0.757 nan 8.360 nan 0.000 0.471 528 G N 0.030 108.810 108.800 -0.033 0.000 4.126 528 G HA2 0.435 4.396 3.960 0.002 0.000 0.282 528 G HA3 0.435 4.396 3.960 0.002 0.000 0.282 528 G C 0.555 175.433 174.900 -0.037 0.000 1.221 528 G CA 0.058 45.139 45.100 -0.033 0.000 1.527 528 G HN 0.545 nan 8.290 nan 0.000 0.612 529 G N 0.977 109.745 108.800 -0.053 0.000 2.421 529 G HA2 0.017 3.978 3.960 0.002 0.000 0.217 529 G HA3 0.017 3.978 3.960 0.002 0.000 0.217 529 G C 1.169 176.039 174.900 -0.050 0.000 1.143 529 G CA 0.997 46.064 45.100 -0.056 0.000 0.784 529 G HN 0.860 nan 8.290 nan 0.000 0.541 530 Q N -0.550 119.215 119.800 -0.060 0.000 1.890 530 Q HA -0.364 3.977 4.340 0.002 0.000 0.435 530 Q C -0.013 175.972 176.000 -0.026 0.000 0.839 530 Q CA 1.757 57.535 55.803 -0.042 0.000 0.778 530 Q CB -2.448 26.273 28.738 -0.028 0.000 3.954 530 Q HN 0.865 nan 8.270 nan 0.000 0.790 531 T N -0.519 114.027 114.554 -0.012 0.000 0.709 531 T HA 0.201 4.552 4.350 0.002 0.000 0.756 531 T C -0.127 174.575 174.700 0.003 0.000 0.989 531 T CA 0.713 62.813 62.100 -0.000 0.000 3.990 531 T CB -1.161 67.713 68.868 0.009 0.000 2.255 531 T HN 1.263 nan 8.240 nan 0.000 0.391 532 A N 4.559 127.380 122.820 0.002 0.000 2.246 532 A HA 0.848 5.169 4.320 0.002 0.000 0.291 532 A C -1.450 176.136 177.584 0.004 0.000 1.103 532 A CA -1.404 50.633 52.037 -0.000 0.000 0.844 532 A CB -0.421 18.578 19.000 -0.002 0.000 1.136 532 A HN 0.723 nan 8.150 nan 0.000 0.500 533 P HA 0.080 nan 4.420 nan 0.000 0.275 533 P C -0.313 176.994 177.300 0.011 0.000 1.195 533 P CA 1.085 64.189 63.100 0.007 0.000 0.779 533 P CB 0.130 31.837 31.700 0.011 0.000 0.793 534 A N 1.296 124.124 122.820 0.014 0.000 2.304 534 A HA 0.392 4.713 4.320 0.002 0.000 0.301 534 A C 1.529 179.122 177.584 0.015 0.000 1.132 534 A CA 0.248 52.291 52.037 0.009 0.000 0.819 534 A CB 0.299 19.299 19.000 -0.000 0.000 1.094 534 A HN 0.557 nan 8.150 nan 0.000 0.492 535 S N 1.314 117.021 115.700 0.011 0.000 2.359 535 S HA -0.079 4.392 4.470 0.002 0.000 0.224 535 S C 0.782 175.396 174.600 0.024 0.000 1.035 535 S CA 1.768 59.978 58.200 0.017 0.000 1.018 535 S CB -0.541 62.666 63.200 0.012 0.000 0.876 535 S HN 0.722 nan 8.310 nan 0.000 0.448 536 T N 2.980 117.542 114.554 0.012 0.000 2.770 536 T HA 0.631 4.982 4.350 0.002 0.000 0.283 536 T C -0.546 174.151 174.700 -0.004 0.000 0.988 536 T CA -0.688 61.417 62.100 0.009 0.000 0.957 536 T CB 1.296 70.155 68.868 -0.015 0.000 0.930 536 T HN 0.323 nan 8.240 nan 0.000 0.443 537 R N 2.323 122.837 120.500 0.023 0.000 2.628 537 R HA 0.650 4.991 4.340 0.002 0.000 0.288 537 R C -1.255 175.036 176.300 -0.015 0.000 0.980 537 R CA -0.878 55.209 56.100 -0.023 0.000 0.891 537 R CB 2.158 32.489 30.300 0.052 0.000 1.188 537 R HN 0.431 nan 8.270 nan 0.000 0.450 538 L N 2.945 124.073 121.223 -0.159 0.000 2.334 538 L HA 0.607 4.948 4.340 0.002 0.000 0.276 538 L C -1.371 175.330 176.870 -0.281 0.000 1.014 538 L CA -0.838 53.962 54.840 -0.066 0.000 0.815 538 L CB 1.248 43.279 42.059 -0.046 0.000 1.268 538 L HN 0.556 nan 8.230 nan 0.000 0.428 539 F N 1.939 121.932 119.950 0.073 0.000 2.518 539 F HA 0.364 4.892 4.527 0.002 0.000 0.323 539 F C 0.111 175.807 175.800 -0.173 0.000 1.129 539 F CA -0.484 57.504 58.000 -0.020 0.000 0.920 539 F CB 1.871 40.856 39.000 -0.025 0.000 1.160 539 F HN 0.381 nan 8.300 nan 0.000 0.440 540 Q N 2.445 122.115 119.800 -0.217 0.000 2.261 540 Q HA 0.620 4.961 4.340 0.002 0.000 0.252 540 Q C -1.438 174.337 176.000 -0.374 0.000 0.915 540 Q CA -0.474 54.874 55.803 -0.757 0.000 0.915 540 Q CB 1.450 29.862 28.738 -0.543 0.000 1.204 540 Q HN 0.576 nan 8.270 nan 0.000 0.421 541 V N 5.367 125.040 119.914 -0.401 0.000 2.305 541 V HA 0.396 4.517 4.120 0.002 0.000 0.275 541 V C -0.287 175.740 176.094 -0.111 0.000 1.020 541 V CA -0.626 61.577 62.300 -0.162 0.000 0.811 541 V CB 0.972 32.745 31.823 -0.083 0.000 1.031 541 V HN 0.723 nan 8.190 nan 0.000 0.439 542 R N 2.884 123.335 120.500 -0.083 0.000 2.540 542 R HA 0.827 5.168 4.340 0.002 0.000 0.287 542 R C -0.059 176.230 176.300 -0.018 0.000 0.980 542 R CA -0.128 55.952 56.100 -0.032 0.000 0.966 542 R CB 1.631 31.918 30.300 -0.021 0.000 1.106 542 R HN 0.739 nan 8.270 nan 0.000 0.480 543 A N 1.720 124.541 122.820 0.001 0.000 2.288 543 A HA 0.588 4.909 4.320 0.002 0.000 0.328 543 A C -0.682 176.901 177.584 -0.002 0.000 1.123 543 A CA -0.592 51.442 52.037 -0.004 0.000 0.861 543 A CB 1.403 20.405 19.000 0.004 0.000 1.272 543 A HN 0.844 nan 8.150 nan 0.000 0.490 544 S N -0.622 115.064 115.700 -0.023 0.000 2.726 544 S HA 0.483 4.954 4.470 0.002 0.000 0.308 544 S C 0.925 175.500 174.600 -0.041 0.000 1.115 544 S CA 0.212 58.395 58.200 -0.028 0.000 0.965 544 S CB 1.104 64.269 63.200 -0.058 0.000 1.145 544 S HN 0.688 nan 8.310 nan 0.000 0.532 545 S N 1.494 117.181 115.700 -0.021 0.000 2.380 545 S HA -0.156 4.315 4.470 0.002 0.000 0.229 545 S C 1.996 176.438 174.600 -0.265 0.000 1.043 545 S CA 1.995 60.189 58.200 -0.009 0.000 1.038 545 S CB -0.916 62.434 63.200 0.250 0.000 0.872 545 S HN 0.888 nan 8.310 nan 0.000 0.456 546 S N 0.274 115.653 115.700 -0.535 0.000 2.474 546 S HA 0.255 4.726 4.470 0.002 0.000 0.235 546 S C 1.703 176.142 174.600 -0.269 0.000 0.997 546 S CA 0.735 58.397 58.200 -0.898 0.000 0.949 546 S CB -0.383 62.338 63.200 -0.798 0.000 0.766 546 S HN 0.855 nan 8.310 nan 0.000 0.517 547 G N 0.840 109.559 108.800 -0.135 0.000 2.176 547 G HA2 -0.088 3.873 3.960 0.002 0.000 0.232 547 G HA3 -0.088 3.873 3.960 0.002 0.000 0.232 547 G C 0.185 175.063 174.900 -0.037 0.000 0.986 547 G CA -0.139 44.939 45.100 -0.036 0.000 0.643 547 G HN 1.072 nan 8.290 nan 0.000 0.522 548 A N 0.221 122.998 122.820 -0.071 0.000 2.351 548 A HA 0.807 5.128 4.320 0.002 0.000 0.257 548 A C 0.754 178.315 177.584 -0.039 0.000 1.087 548 A CA 1.163 53.170 52.037 -0.051 0.000 0.798 548 A CB 0.472 19.426 19.000 -0.077 0.000 1.033 548 A HN 1.728 nan 8.150 nan 0.000 0.488 549 T N -0.880 113.658 114.554 -0.026 0.000 2.907 549 T HA 0.728 5.079 4.350 0.002 0.000 0.292 549 T C -0.446 174.232 174.700 -0.037 0.000 1.043 549 T CA -0.931 61.151 62.100 -0.031 0.000 1.003 549 T CB 1.464 70.314 68.868 -0.031 0.000 1.084 549 T HN 0.978 nan 8.240 nan 0.000 0.483 550 R N 0.420 120.891 120.500 -0.048 0.000 2.670 550 R HA 0.794 5.135 4.340 0.002 0.000 0.289 550 R C -1.246 175.010 176.300 -0.072 0.000 0.965 550 R CA -1.077 54.983 56.100 -0.065 0.000 0.899 550 R CB 1.722 31.989 30.300 -0.054 0.000 1.173 550 R HN 0.799 nan 8.270 nan 0.000 0.456 551 A N 3.563 126.330 122.820 -0.089 0.000 2.258 551 A HA 0.524 4.845 4.320 0.002 0.000 0.316 551 A C -0.687 176.907 177.584 0.017 0.000 1.279 551 A CA -0.756 51.255 52.037 -0.044 0.000 0.876 551 A CB 1.229 20.174 19.000 -0.091 0.000 1.170 551 A HN 0.483 nan 8.150 nan 0.000 0.520 552 V N 2.515 122.451 119.914 0.036 0.000 2.435 552 V HA 0.324 4.445 4.120 0.002 0.000 0.290 552 V C 0.335 176.416 176.094 -0.020 0.000 1.030 552 V CA -0.680 61.632 62.300 0.020 0.000 0.881 552 V CB 1.482 33.300 31.823 -0.009 0.000 0.983 552 V HN 0.982 nan 8.190 nan 0.000 0.445 553 E N 4.417 124.542 120.200 -0.125 0.000 2.290 553 E HA 0.529 4.880 4.350 0.002 0.000 0.277 553 E C -0.622 175.838 176.600 -0.234 0.000 1.035 553 E CA -0.288 55.836 56.400 -0.459 0.000 0.873 553 E CB 0.817 30.220 29.700 -0.496 0.000 1.029 553 E HN 0.709 nan 8.360 nan 0.000 0.419 554 I N 0.537 120.964 120.570 -0.238 0.000 3.206 554 I HA 0.453 4.624 4.170 0.002 0.000 0.313 554 I C -0.388 175.658 176.117 -0.119 0.000 1.103 554 I CA -1.383 59.847 61.300 -0.116 0.000 0.985 554 I CB 1.165 39.138 38.000 -0.045 0.000 1.240 554 I HN 0.286 nan 8.210 nan 0.000 0.464 555 I N 2.524 123.048 120.570 -0.076 0.000 2.618 555 I HA 0.165 4.336 4.170 0.002 0.000 0.284 555 I C -2.096 173.969 176.117 -0.087 0.000 1.146 555 I CA -1.720 59.535 61.300 -0.075 0.000 1.425 555 I CB -0.412 37.555 38.000 -0.055 0.000 1.383 555 I HN 0.408 nan 8.210 nan 0.000 0.562 556 P HA 0.270 nan 4.420 nan 0.000 0.260 556 P C -0.513 176.698 177.300 -0.149 0.000 1.651 556 P CA -0.012 63.010 63.100 -0.131 0.000 1.139 556 P CB 0.198 31.823 31.700 -0.125 0.000 1.756 557 K N 0.935 121.239 120.400 -0.159 0.000 2.444 557 K HA 0.639 4.960 4.320 0.002 0.000 0.252 557 K C 0.876 177.337 176.600 -0.231 0.000 0.993 557 K CA -0.906 55.286 56.287 -0.160 0.000 0.847 557 K CB 2.461 34.898 32.500 -0.106 0.000 1.340 557 K HN 0.007 nan 8.250 nan 0.000 0.446 558 A N 0.807 123.509 122.820 -0.196 0.000 1.897 558 A HA 0.001 4.322 4.320 0.002 0.000 0.215 558 A C 1.522 178.949 177.584 -0.262 0.000 1.181 558 A CA 1.715 53.612 52.037 -0.233 0.000 0.620 558 A CB -0.632 18.379 19.000 0.017 0.000 0.821 558 A HN 0.785 nan 8.150 nan 0.000 0.443 559 G N -1.206 107.497 108.800 -0.162 0.000 3.295 559 G HA2 0.368 4.329 3.960 0.002 0.000 0.231 559 G HA3 0.368 4.329 3.960 0.002 0.000 0.231 559 G C 0.628 175.469 174.900 -0.098 0.000 1.277 559 G CA 0.707 45.732 45.100 -0.126 0.000 1.013 559 G HN 0.801 nan 8.290 nan 0.000 0.509 560 A N -0.303 122.431 122.820 -0.143 0.000 2.551 560 A HA 0.522 4.843 4.320 0.002 0.000 0.252 560 A C 0.685 178.201 177.584 -0.113 0.000 1.199 560 A CA -0.350 51.648 52.037 -0.065 0.000 0.972 560 A CB 0.286 19.267 19.000 -0.031 0.000 1.153 560 A HN 0.278 nan 8.150 nan 0.000 0.559 561 L N 1.187 122.176 121.223 -0.391 0.000 2.452 561 L HA 0.261 4.602 4.340 0.002 0.000 0.267 561 L C 0.028 176.792 176.870 -0.177 0.000 1.188 561 L CA -0.253 54.113 54.840 -0.790 0.000 0.821 561 L CB 0.580 42.028 42.059 -1.019 0.000 1.102 561 L HN 0.342 nan 8.230 nan 0.000 0.470 562 N N 0.275 118.953 118.700 -0.037 0.000 2.454 562 N HA 0.079 4.820 4.740 0.002 0.000 0.291 562 N C 0.010 175.839 175.510 0.532 0.000 1.079 562 N CA -0.202 53.075 53.050 0.379 0.000 0.893 562 N CB 2.096 40.877 38.487 0.490 0.000 1.512 562 N HN 0.469 nan 8.380 nan 0.000 0.497 563 S N 2.430 118.360 115.700 0.384 0.000 2.469 563 S HA -0.024 4.447 4.470 0.002 0.000 0.238 563 S C 0.906 175.660 174.600 0.258 0.000 0.998 563 S CA 1.205 59.594 58.200 0.316 0.000 0.957 563 S CB -0.115 63.126 63.200 0.068 0.000 0.764 563 S HN 0.627 nan 8.310 nan 0.000 0.514 564 N N 0.671 119.532 118.700 0.269 0.000 2.280 564 N HA 0.140 4.881 4.740 0.002 0.000 0.192 564 N C -0.675 174.961 175.510 0.210 0.000 1.109 564 N CA 0.192 53.355 53.050 0.189 0.000 0.855 564 N CB 0.438 39.015 38.487 0.149 0.000 0.974 564 N HN 0.291 nan 8.380 nan 0.000 0.482 565 D N -0.190 120.421 120.400 0.352 0.000 2.423 565 D HA 0.454 5.095 4.640 0.002 0.000 0.235 565 D C -0.460 176.098 176.300 0.429 0.000 1.011 565 D CA -0.675 53.502 54.000 0.295 0.000 0.963 565 D CB 1.461 42.366 40.800 0.176 0.000 1.349 565 D HN -0.023 nan 8.370 nan 0.000 0.508 566 A N 0.544 123.513 122.820 0.248 0.000 2.327 566 A HA 0.609 4.930 4.320 0.002 0.000 0.283 566 A C -1.003 176.772 177.584 0.318 0.000 1.127 566 A CA -0.224 52.008 52.037 0.325 0.000 0.810 566 A CB 0.090 19.182 19.000 0.154 0.000 1.066 566 A HN 0.359 nan 8.150 nan 0.000 0.492 567 F N 0.524 120.719 119.950 0.409 0.000 2.579 567 F HA 0.622 5.150 4.527 0.002 0.000 0.324 567 F C -0.046 175.934 175.800 0.300 0.000 1.058 567 F CA -0.726 57.465 58.000 0.319 0.000 0.944 567 F CB 2.491 41.642 39.000 0.252 0.000 1.245 567 F HN 0.272 nan 8.300 nan 0.000 0.477 568 V N 3.229 123.400 119.914 0.429 0.000 2.482 568 V HA 0.387 4.508 4.120 0.002 0.000 0.295 568 V C -1.395 174.929 176.094 0.384 0.000 1.026 568 V CA -0.616 61.892 62.300 0.346 0.000 0.856 568 V CB 1.908 33.838 31.823 0.178 0.000 1.001 568 V HN 0.510 nan 8.190 nan 0.000 0.424 569 L N 5.711 127.138 121.223 0.340 0.000 2.301 569 L HA 0.577 4.918 4.340 0.002 0.000 0.278 569 L C -0.068 176.964 176.870 0.270 0.000 1.022 569 L CA -0.352 54.639 54.840 0.253 0.000 0.854 569 L CB 1.031 43.148 42.059 0.096 0.000 1.226 569 L HN 0.663 nan 8.230 nan 0.000 0.429 570 K N 3.125 123.666 120.400 0.235 0.000 2.297 570 K HA 0.529 4.850 4.320 0.002 0.000 0.286 570 K C -0.657 176.020 176.600 0.129 0.000 1.053 570 K CA -0.003 56.386 56.287 0.169 0.000 0.940 570 K CB 0.852 33.459 32.500 0.178 0.000 1.019 570 K HN 0.617 nan 8.250 nan 0.000 0.475 571 T N 5.046 119.664 114.554 0.107 0.000 2.909 571 T HA 0.329 4.680 4.350 0.002 0.000 0.299 571 T C -2.046 172.687 174.700 0.055 0.000 1.073 571 T CA -2.095 60.059 62.100 0.090 0.000 0.999 571 T CB 1.491 70.451 68.868 0.153 0.000 1.098 571 T HN 0.476 nan 8.240 nan 0.000 0.477 572 P HA -0.174 nan 4.420 nan 0.000 0.216 572 P C 1.634 178.947 177.300 0.021 0.000 1.154 572 P CA 1.211 64.328 63.100 0.028 0.000 0.865 572 P CB 0.028 31.744 31.700 0.026 0.000 0.789 573 S N -0.497 115.221 115.700 0.030 0.000 2.462 573 S HA 0.017 4.488 4.470 0.002 0.000 0.219 573 S C 0.959 175.548 174.600 -0.019 0.000 1.048 573 S CA 1.492 59.704 58.200 0.019 0.000 1.119 573 S CB -0.809 62.419 63.200 0.048 0.000 1.100 573 S HN 0.284 nan 8.310 nan 0.000 0.411 574 A N -0.353 122.430 122.820 -0.063 0.000 2.525 574 A HA 0.857 5.178 4.320 0.002 0.000 0.291 574 A C -1.041 176.412 177.584 -0.219 0.000 1.268 574 A CA -0.316 51.631 52.037 -0.150 0.000 0.712 574 A CB 0.795 19.666 19.000 -0.214 0.000 1.320 574 A HN 1.321 nan 8.150 nan 0.000 0.456 575 A N -0.498 122.165 122.820 -0.262 0.000 2.343 575 A HA 0.709 5.030 4.320 0.002 0.000 0.316 575 A C -1.634 175.820 177.584 -0.217 0.000 1.104 575 A CA -0.318 51.625 52.037 -0.157 0.000 0.768 575 A CB 0.407 19.389 19.000 -0.031 0.000 1.213 575 A HN 0.715 nan 8.150 nan 0.000 0.456 576 Y N 1.227 121.616 120.300 0.147 0.000 2.330 576 Y HA 0.508 5.059 4.550 0.002 0.000 0.336 576 Y C 0.090 176.132 175.900 0.236 0.000 1.036 576 Y CA -0.555 57.675 58.100 0.216 0.000 1.125 576 Y CB 1.801 40.477 38.460 0.361 0.000 1.194 576 Y HN 0.555 nan 8.280 nan 0.000 0.469 577 L N 4.644 126.072 121.223 0.341 0.000 2.504 577 L HA 0.350 4.691 4.340 0.002 0.000 0.249 577 L C -1.126 175.934 176.870 0.316 0.000 1.120 577 L CA -0.484 54.526 54.840 0.282 0.000 0.997 577 L CB -0.083 42.066 42.059 0.150 0.000 1.349 577 L HN 0.725 nan 8.230 nan 0.000 0.439 578 W N 4.907 126.352 121.300 0.241 0.000 2.446 578 W HA 0.399 5.060 4.660 0.001 0.000 0.316 578 W C -0.557 176.067 176.519 0.175 0.000 1.376 578 W CA -0.151 57.291 57.345 0.162 0.000 1.300 578 W CB 0.963 30.553 29.460 0.217 0.000 1.351 578 W HN 0.263 nan 8.180 nan 0.000 0.530 579 V N 9.283 129.011 119.914 -0.311 0.000 2.350 579 V HA 0.698 4.819 4.120 0.002 0.000 0.285 579 V C 0.519 176.187 176.094 -0.711 0.000 1.014 579 V CA -0.411 61.714 62.300 -0.293 0.000 0.831 579 V CB 0.407 32.154 31.823 -0.128 0.000 1.000 579 V HN 0.669 nan 8.190 nan 0.000 0.433 580 G N 4.232 112.611 108.800 -0.702 0.000 2.634 580 G HA2 0.456 4.417 3.960 0.002 0.000 0.255 580 G HA3 0.456 4.417 3.960 0.002 0.000 0.255 580 G C 1.055 175.774 174.900 -0.302 0.000 1.205 580 G CA 0.047 44.725 45.100 -0.703 0.000 0.884 580 G HN 1.414 nan 8.290 nan 0.000 0.549 581 A N 0.453 123.144 122.820 -0.216 0.000 1.883 581 A HA 0.042 4.363 4.320 0.002 0.000 0.217 581 A C 2.548 180.094 177.584 -0.064 0.000 1.186 581 A CA 2.302 54.263 52.037 -0.126 0.000 0.624 581 A CB -0.991 17.951 19.000 -0.096 0.000 0.822 581 A HN 1.145 nan 8.150 nan 0.000 0.444 582 G N -0.815 107.972 108.800 -0.023 0.000 2.598 582 G HA2 0.328 4.289 3.960 0.002 0.000 0.215 582 G HA3 0.328 4.289 3.960 0.002 0.000 0.215 582 G C 0.772 175.686 174.900 0.023 0.000 1.131 582 G CA 0.773 45.881 45.100 0.012 0.000 0.785 582 G HN 0.834 nan 8.290 nan 0.000 0.539 583 A N 0.085 122.913 122.820 0.014 0.000 2.366 583 A HA 0.630 4.951 4.320 0.002 0.000 0.250 583 A C 0.799 178.388 177.584 0.008 0.000 1.099 583 A CA 0.560 52.613 52.037 0.027 0.000 0.794 583 A CB 0.482 19.499 19.000 0.027 0.000 1.056 583 A HN 0.944 nan 8.150 nan 0.000 0.499 584 S N -1.407 114.303 115.700 0.017 0.000 2.811 584 S HA 0.456 4.927 4.470 0.002 0.000 0.311 584 S C 0.743 175.348 174.600 0.008 0.000 1.152 584 S CA 0.298 58.504 58.200 0.011 0.000 0.864 584 S CB 0.954 64.166 63.200 0.020 0.000 1.226 584 S HN 0.942 nan 8.310 nan 0.000 0.541 585 E N 1.097 121.302 120.200 0.007 0.000 2.160 585 E HA -0.058 4.293 4.350 0.002 0.000 0.195 585 E C 1.861 178.467 176.600 0.009 0.000 0.991 585 E CA 1.842 58.245 56.400 0.006 0.000 0.810 585 E CB -0.803 28.902 29.700 0.007 0.000 0.742 585 E HN 0.732 nan 8.360 nan 0.000 0.466 586 A N 1.570 124.397 122.820 0.012 0.000 1.902 586 A HA -0.222 4.099 4.320 0.002 0.000 0.217 586 A C 2.167 179.755 177.584 0.007 0.000 1.181 586 A CA 1.751 53.794 52.037 0.010 0.000 0.623 586 A CB -0.589 18.418 19.000 0.012 0.000 0.818 586 A HN 0.505 nan 8.150 nan 0.000 0.443 587 E N 0.143 120.351 120.200 0.013 0.000 2.230 587 E HA -0.098 4.253 4.350 0.002 0.000 0.192 587 E C 1.729 178.341 176.600 0.021 0.000 0.987 587 E CA 0.859 57.269 56.400 0.015 0.000 0.841 587 E CB -0.347 29.371 29.700 0.031 0.000 0.783 587 E HN 0.599 nan 8.360 nan 0.000 0.481 588 K N 0.639 121.051 120.400 0.020 0.000 1.991 588 K HA -0.140 4.181 4.320 0.002 0.000 0.212 588 K C 2.400 179.006 176.600 0.011 0.000 1.049 588 K CA 2.154 58.452 56.287 0.018 0.000 0.932 588 K CB -0.361 32.142 32.500 0.006 0.000 0.717 588 K HN 0.126 nan 8.250 nan 0.000 0.441 589 T N -0.472 114.085 114.554 0.004 0.000 2.788 589 T HA -0.091 4.260 4.350 0.002 0.000 0.268 589 T C 1.825 176.519 174.700 -0.010 0.000 1.044 589 T CA 1.641 63.740 62.100 -0.002 0.000 1.139 589 T CB -0.367 68.501 68.868 0.000 0.000 0.867 589 T HN 0.436 nan 8.240 nan 0.000 0.454 590 G N 0.148 108.941 108.800 -0.012 0.000 2.408 590 G HA2 0.068 4.029 3.960 0.002 0.000 0.217 590 G HA3 0.068 4.029 3.960 0.002 0.000 0.217 590 G C 1.870 176.745 174.900 -0.042 0.000 1.150 590 G CA 0.832 45.915 45.100 -0.028 0.000 0.776 590 G HN 0.641 nan 8.290 nan 0.000 0.542 591 A N 0.919 123.727 122.820 -0.021 0.000 1.969 591 A HA -0.037 4.284 4.320 0.002 0.000 0.218 591 A C 2.326 179.893 177.584 -0.028 0.000 1.169 591 A CA 1.848 53.874 52.037 -0.018 0.000 0.635 591 A CB -0.349 18.675 19.000 0.040 0.000 0.810 591 A HN 0.572 nan 8.150 nan 0.000 0.445 592 Q N -0.952 118.838 119.800 -0.017 0.000 2.398 592 Q HA -0.031 4.310 4.340 0.002 0.000 0.204 592 Q C 1.485 177.461 176.000 -0.040 0.000 0.932 592 Q CA 1.327 57.118 55.803 -0.020 0.000 0.916 592 Q CB -0.157 28.577 28.738 -0.006 0.000 1.024 592 Q HN 0.511 nan 8.270 nan 0.000 0.504 593 E N 1.004 121.175 120.200 -0.048 0.000 2.285 593 E HA -0.086 4.265 4.350 0.002 0.000 0.194 593 E C 1.755 178.301 176.600 -0.091 0.000 0.997 593 E CA 0.462 56.827 56.400 -0.058 0.000 0.845 593 E CB -0.009 29.662 29.700 -0.049 0.000 0.782 593 E HN 0.420 nan 8.360 nan 0.000 0.491 594 L N -0.284 120.866 121.223 -0.122 0.000 2.109 594 L HA -0.040 4.301 4.340 0.002 0.000 0.207 594 L C 1.708 178.472 176.870 -0.177 0.000 1.086 594 L CA 1.292 56.016 54.840 -0.194 0.000 0.760 594 L CB -0.405 41.487 42.059 -0.278 0.000 0.910 594 L HN 0.183 nan 8.230 nan 0.000 0.437 595 L N 0.264 121.412 121.223 -0.124 0.000 2.093 595 L HA -0.136 4.205 4.340 0.002 0.000 0.208 595 L C 2.801 179.631 176.870 -0.067 0.000 1.085 595 L CA 1.825 56.611 54.840 -0.090 0.000 0.755 595 L CB -1.295 40.735 42.059 -0.048 0.000 0.904 595 L HN 0.478 nan 8.230 nan 0.000 0.435 596 R N -0.703 119.762 120.500 -0.059 0.000 2.091 596 R HA -0.147 4.194 4.340 0.002 0.000 0.238 596 R C 2.050 178.323 176.300 -0.046 0.000 1.136 596 R CA 1.837 57.910 56.100 -0.045 0.000 0.959 596 R CB -0.208 30.069 30.300 -0.040 0.000 0.856 596 R HN 0.230 nan 8.270 nan 0.000 0.437 597 V N 1.367 121.245 119.914 -0.061 0.000 2.427 597 V HA -0.192 3.929 4.120 0.002 0.000 0.248 597 V C 2.222 178.296 176.094 -0.032 0.000 1.051 597 V CA 1.412 63.684 62.300 -0.047 0.000 1.048 597 V CB -0.286 31.499 31.823 -0.064 0.000 0.666 597 V HN 0.344 nan 8.190 nan 0.000 0.456 598 L N -0.378 120.811 121.223 -0.056 0.000 2.610 598 L HA 0.126 4.467 4.340 0.002 0.000 0.232 598 L C 1.055 177.910 176.870 -0.025 0.000 1.149 598 L CA 0.153 54.969 54.840 -0.041 0.000 0.872 598 L CB -0.138 41.875 42.059 -0.078 0.000 0.992 598 L HN 0.272 nan 8.230 nan 0.000 0.447 599 R N -0.781 119.703 120.500 -0.027 0.000 3.531 599 R HA -0.152 4.189 4.340 0.002 0.000 0.280 599 R C -0.173 176.116 176.300 -0.019 0.000 1.130 599 R CA 0.791 56.879 56.100 -0.020 0.000 0.757 599 R CB -2.376 27.915 30.300 -0.014 0.000 1.218 599 R HN 0.376 nan 8.270 nan 0.000 0.454 600 A N -0.062 122.744 122.820 -0.023 0.000 2.437 600 A HA 0.769 5.090 4.320 0.002 0.000 0.292 600 A C -0.800 176.769 177.584 -0.025 0.000 1.173 600 A CA -0.530 51.494 52.037 -0.022 0.000 0.785 600 A CB 1.851 20.841 19.000 -0.017 0.000 1.351 600 A HN 0.090 nan 8.150 nan 0.000 0.431 601 Q N 0.525 120.307 119.800 -0.029 0.000 2.337 601 Q HA 0.599 4.940 4.340 0.002 0.000 0.270 601 Q C -2.668 173.311 176.000 -0.036 0.000 1.043 601 Q CA -1.854 53.932 55.803 -0.028 0.000 0.794 601 Q CB 2.237 30.959 28.738 -0.027 0.000 1.281 601 Q HN 0.604 nan 8.270 nan 0.000 0.446 602 P HA 0.254 nan 4.420 nan 0.000 0.276 602 P C -1.025 176.263 177.300 -0.020 0.000 1.261 602 P CA -0.436 62.659 63.100 -0.008 0.000 0.800 602 P CB 1.000 32.711 31.700 0.018 0.000 1.066 603 V N 1.051 120.964 119.914 -0.002 0.000 2.340 603 V HA 0.168 4.289 4.120 0.002 0.000 0.277 603 V C 0.297 176.443 176.094 0.086 0.000 1.017 603 V CA -0.591 61.721 62.300 0.019 0.000 0.820 603 V CB 0.460 32.270 31.823 -0.021 0.000 1.028 603 V HN 0.486 nan 8.190 nan 0.000 0.436 604 Q N 2.129 121.960 119.800 0.052 0.000 2.326 604 Q HA 0.323 4.663 4.340 0.002 0.000 0.314 604 Q C -0.373 175.648 176.000 0.035 0.000 1.091 604 Q CA 0.892 56.719 55.803 0.039 0.000 0.974 604 Q CB 1.231 29.974 28.738 0.009 0.000 1.220 604 Q HN 0.718 nan 8.270 nan 0.000 0.398 605 V N 2.022 121.931 119.914 -0.008 0.000 2.739 605 V HA 0.697 4.818 4.120 0.002 0.000 0.293 605 V C -1.086 174.868 176.094 -0.234 0.000 1.199 605 V CA -0.138 62.118 62.300 -0.073 0.000 0.931 605 V CB 1.306 33.110 31.823 -0.031 0.000 1.052 605 V HN 0.908 nan 8.190 nan 0.000 0.441 606 A N 4.626 127.310 122.820 -0.227 0.000 2.327 606 A HA 0.588 4.909 4.320 0.002 0.000 0.255 606 A C 0.333 177.665 177.584 -0.420 0.000 1.099 606 A CA 0.087 51.927 52.037 -0.328 0.000 0.801 606 A CB 0.385 19.267 19.000 -0.196 0.000 1.062 606 A HN 1.125 nan 8.150 nan 0.000 0.496 607 E N -0.649 119.253 120.200 -0.496 0.000 2.398 607 E HA 0.362 4.712 4.350 0.002 0.000 0.263 607 E C 1.300 177.897 176.600 -0.005 0.000 1.046 607 E CA 0.859 57.090 56.400 -0.281 0.000 0.908 607 E CB 0.145 29.700 29.700 -0.241 0.000 0.963 607 E HN 1.400 nan 8.360 nan 0.000 0.431 608 G N 2.752 111.681 108.800 0.215 0.000 2.435 608 G HA2 -0.338 3.623 3.960 0.002 0.000 0.245 608 G HA3 -0.338 3.623 3.960 0.002 0.000 0.245 608 G C 0.216 175.211 174.900 0.158 0.000 1.073 608 G CA 0.568 45.797 45.100 0.214 0.000 0.638 608 G HN 0.855 nan 8.290 nan 0.000 0.521 609 S N 0.985 116.731 115.700 0.077 0.000 2.468 609 S HA 0.656 5.127 4.470 0.002 0.000 0.190 609 S C -0.592 174.028 174.600 0.034 0.000 1.445 609 S CA -0.314 57.918 58.200 0.054 0.000 1.084 609 S CB 1.181 64.390 63.200 0.015 0.000 1.175 609 S HN 0.587 nan 8.310 nan 0.000 0.484 610 E N 2.310 122.564 120.200 0.089 0.000 2.246 610 E HA 0.497 4.848 4.350 0.002 0.000 0.266 610 E C -2.784 173.893 176.600 0.129 0.000 0.880 610 E CA -2.196 54.198 56.400 -0.010 0.000 0.762 610 E CB 1.234 30.767 29.700 -0.278 0.000 1.180 610 E HN 0.283 nan 8.360 nan 0.000 0.416 611 P HA -0.015 nan 4.420 nan 0.000 0.268 611 P C -0.250 177.223 177.300 0.288 0.000 1.208 611 P CA -0.083 63.130 63.100 0.188 0.000 0.777 611 P CB 0.689 32.505 31.700 0.194 0.000 0.875 612 D N -0.226 120.349 120.400 0.292 0.000 2.336 612 D HA -0.051 4.590 4.640 0.002 0.000 0.228 612 D C 0.882 177.338 176.300 0.260 0.000 1.120 612 D CA 0.025 54.250 54.000 0.375 0.000 0.839 612 D CB -0.209 40.745 40.800 0.255 0.000 0.932 612 D HN 0.328 nan 8.370 nan 0.000 0.509 613 S N -0.069 115.761 115.700 0.218 0.000 2.395 613 S HA -0.122 4.349 4.470 0.002 0.000 0.225 613 S C 1.819 176.463 174.600 0.074 0.000 1.027 613 S CA -0.205 58.101 58.200 0.177 0.000 0.965 613 S CB -0.913 62.434 63.200 0.244 0.000 0.812 613 S HN 0.270 nan 8.310 nan 0.000 0.482 614 F N 1.599 121.399 119.950 -0.249 0.000 2.043 614 F HA -0.158 4.370 4.527 0.001 0.000 0.297 614 F C 1.947 177.478 175.800 -0.449 0.000 1.118 614 F CA 1.898 59.494 58.000 -0.674 0.000 1.202 614 F CB -0.512 38.039 39.000 -0.748 0.000 0.965 614 F HN 0.202 nan 8.300 nan 0.000 0.482 615 W N 0.648 121.963 121.300 0.025 0.000 2.436 615 W HA -0.044 4.617 4.660 0.002 0.000 0.284 615 W C 2.371 178.820 176.519 -0.117 0.000 1.225 615 W CA 1.092 58.403 57.345 -0.056 0.000 1.271 615 W CB -0.472 29.013 29.460 0.042 0.000 1.114 615 W HN 0.043 nan 8.180 nan 0.000 0.559 616 E N 0.005 120.286 120.200 0.134 0.000 2.274 616 E HA -0.101 4.250 4.350 0.002 0.000 0.194 616 E C 2.233 178.823 176.600 -0.016 0.000 0.996 616 E CA 0.871 57.307 56.400 0.061 0.000 0.840 616 E CB -0.207 29.537 29.700 0.072 0.000 0.772 616 E HN 0.245 nan 8.360 nan 0.000 0.491 617 A N 0.961 123.726 122.820 -0.091 0.000 2.014 617 A HA -0.079 4.242 4.320 0.002 0.000 0.218 617 A C 2.038 179.519 177.584 -0.172 0.000 1.163 617 A CA 0.736 52.695 52.037 -0.130 0.000 0.652 617 A CB -0.284 18.607 19.000 -0.182 0.000 0.808 617 A HN 0.136 nan 8.150 nan 0.000 0.449 618 L N -1.422 119.664 121.223 -0.229 0.000 2.509 618 L HA 0.225 4.566 4.340 0.002 0.000 0.222 618 L C 1.486 178.296 176.870 -0.101 0.000 1.123 618 L CA 0.484 55.196 54.840 -0.213 0.000 0.856 618 L CB -0.360 41.510 42.059 -0.315 0.000 0.985 618 L HN 0.528 nan 8.230 nan 0.000 0.456 619 G N 0.256 109.024 108.800 -0.053 0.000 2.204 619 G HA2 0.024 3.985 3.960 0.002 0.000 0.244 619 G HA3 0.024 3.985 3.960 0.002 0.000 0.244 619 G C 0.391 175.289 174.900 -0.002 0.000 1.062 619 G CA 0.130 45.216 45.100 -0.024 0.000 0.798 619 G HN 0.791 nan 8.290 nan 0.000 0.496 620 G N -1.051 107.771 108.800 0.038 0.000 2.288 620 G HA2 0.567 4.528 3.960 0.002 0.000 0.227 620 G HA3 0.567 4.528 3.960 0.002 0.000 0.227 620 G C -0.616 174.365 174.900 0.135 0.000 1.339 620 G CA 0.276 45.404 45.100 0.046 0.000 1.057 620 G HN 1.511 nan 8.290 nan 0.000 0.470 621 K N -0.618 119.806 120.400 0.040 0.000 2.582 621 K HA 0.670 4.991 4.320 0.002 0.000 0.259 621 K C -0.619 175.924 176.600 -0.096 0.000 0.973 621 K CA 0.199 56.475 56.287 -0.019 0.000 0.880 621 K CB 1.009 33.189 32.500 -0.534 0.000 1.310 621 K HN 1.868 nan 8.250 nan 0.000 0.443 622 A N 1.999 124.791 122.820 -0.047 0.000 2.504 622 A HA 0.725 5.046 4.320 0.002 0.000 0.285 622 A C -0.643 176.891 177.584 -0.084 0.000 1.261 622 A CA -0.719 51.276 52.037 -0.070 0.000 0.741 622 A CB 1.034 20.002 19.000 -0.053 0.000 1.327 622 A HN 0.616 nan 8.150 nan 0.000 0.441 623 T N 0.478 115.009 114.554 -0.039 0.000 2.898 623 T HA 0.191 4.542 4.350 0.002 0.000 0.331 623 T C -0.284 174.411 174.700 -0.008 0.000 1.085 623 T CA 1.354 63.462 62.100 0.014 0.000 1.129 623 T CB -0.222 68.661 68.868 0.025 0.000 1.054 623 T HN 0.365 nan 8.240 nan 0.000 0.540 624 Y N 0.144 120.468 120.300 0.041 0.000 2.679 624 Y HA 0.515 5.066 4.550 0.002 0.000 0.331 624 Y C 1.138 177.061 175.900 0.037 0.000 1.183 624 Y CA -1.141 56.985 58.100 0.043 0.000 1.290 624 Y CB 1.122 39.627 38.460 0.076 0.000 1.489 624 Y HN 0.272 nan 8.280 nan 0.000 0.583 625 R N 0.359 121.072 120.500 0.356 0.000 2.393 625 R HA 0.279 4.620 4.340 0.002 0.000 0.315 625 R C -0.918 175.496 176.300 0.191 0.000 0.952 625 R CA -0.105 56.128 56.100 0.222 0.000 0.842 625 R CB 1.368 31.775 30.300 0.179 0.000 1.163 625 R HN 0.724 nan 8.270 nan 0.000 0.450 626 T N -0.418 114.201 114.554 0.107 0.000 3.174 626 T HA -0.014 4.337 4.350 0.002 0.000 0.269 626 T C 0.663 175.397 174.700 0.057 0.000 1.017 626 T CA -0.216 61.908 62.100 0.040 0.000 0.899 626 T CB 0.176 69.034 68.868 -0.017 0.000 1.077 626 T HN 0.537 nan 8.240 nan 0.000 0.552 627 S N 2.880 118.629 115.700 0.081 0.000 2.671 627 S HA 0.152 4.623 4.470 0.002 0.000 0.331 627 S C -2.705 171.942 174.600 0.079 0.000 1.182 627 S CA -1.157 57.089 58.200 0.077 0.000 1.276 627 S CB -0.557 62.695 63.200 0.087 0.000 1.360 627 S HN 0.104 nan 8.310 nan 0.000 0.563 628 P HA 0.147 nan 4.420 nan 0.000 0.266 628 P C 0.071 177.415 177.300 0.072 0.000 1.215 628 P CA -0.224 62.915 63.100 0.064 0.000 0.763 628 P CB 0.400 32.129 31.700 0.049 0.000 0.806 629 R N 2.495 123.043 120.500 0.079 0.000 2.537 629 R HA 0.111 4.452 4.340 0.002 0.000 0.280 629 R C 0.070 176.418 176.300 0.080 0.000 1.058 629 R CA -0.813 55.338 56.100 0.085 0.000 1.057 629 R CB 0.103 30.456 30.300 0.087 0.000 0.973 629 R HN 0.393 nan 8.270 nan 0.000 0.438 630 L N 4.456 125.731 121.223 0.087 0.000 2.742 630 L HA -0.103 4.238 4.340 0.002 0.000 0.275 630 L C 1.332 178.251 176.870 0.082 0.000 1.141 630 L CA 1.144 56.034 54.840 0.084 0.000 0.987 630 L CB -0.210 41.906 42.059 0.096 0.000 1.319 630 L HN 0.567 nan 8.230 nan 0.000 0.478 631 K N 1.990 122.434 120.400 0.073 0.000 2.183 631 K HA -0.020 4.301 4.320 0.002 0.000 0.218 631 K C 0.994 177.635 176.600 0.068 0.000 1.025 631 K CA 0.601 56.932 56.287 0.074 0.000 0.944 631 K CB 0.090 32.632 32.500 0.071 0.000 0.936 631 K HN 0.631 nan 8.250 nan 0.000 0.460 632 D N 0.962 121.398 120.400 0.061 0.000 2.178 632 D HA -0.091 4.550 4.640 0.002 0.000 0.202 632 D C 1.138 177.461 176.300 0.039 0.000 0.974 632 D CA 1.231 55.260 54.000 0.049 0.000 0.841 632 D CB 0.216 41.044 40.800 0.048 0.000 0.953 632 D HN -0.015 nan 8.370 nan 0.000 0.478 633 K N 0.077 120.503 120.400 0.044 0.000 2.525 633 K HA 0.074 4.395 4.320 0.002 0.000 0.192 633 K C 1.696 178.324 176.600 0.047 0.000 1.029 633 K CA 0.067 56.376 56.287 0.038 0.000 1.029 633 K CB 0.150 32.675 32.500 0.041 0.000 0.814 633 K HN 0.068 nan 8.250 nan 0.000 0.503 634 K N 0.365 120.805 120.400 0.067 0.000 2.020 634 K HA -0.177 4.144 4.320 0.002 0.000 0.212 634 K C 1.939 178.594 176.600 0.092 0.000 1.050 634 K CA 1.912 58.256 56.287 0.095 0.000 0.929 634 K CB -0.098 32.472 32.500 0.116 0.000 0.714 634 K HN 0.163 nan 8.250 nan 0.000 0.443 635 M N 0.772 120.427 119.600 0.092 0.000 2.149 635 M HA -0.234 4.247 4.480 0.002 0.000 0.261 635 M C 0.781 177.088 176.300 0.012 0.000 1.064 635 M CA 1.999 57.355 55.300 0.093 0.000 1.102 635 M CB -0.079 32.596 32.600 0.125 0.000 1.369 635 M HN 0.141 nan 8.290 nan 0.000 0.408 636 D N 0.280 120.672 120.400 -0.013 0.000 2.117 636 D HA -0.091 4.550 4.640 0.002 0.000 0.198 636 D C 1.930 178.167 176.300 -0.105 0.000 0.982 636 D CA 1.585 55.554 54.000 -0.051 0.000 0.828 636 D CB -0.107 40.674 40.800 -0.032 0.000 0.967 636 D HN 0.475 nan 8.370 nan 0.000 0.464 637 A N -0.178 122.556 122.820 -0.143 0.000 1.968 637 A HA -0.049 4.272 4.320 0.002 0.000 0.217 637 A C 0.285 177.316 177.584 -0.922 0.000 1.169 637 A CA 1.098 52.911 52.037 -0.373 0.000 0.638 637 A CB -0.211 18.679 19.000 -0.184 0.000 0.812 637 A HN 0.296 nan 8.150 nan 0.000 0.446 638 H N -0.849 118.067 119.070 -0.256 0.000 2.490 638 H HA 0.285 4.842 4.556 0.001 0.000 0.230 638 H C -2.889 172.404 175.328 -0.058 0.000 1.417 638 H CA -1.757 54.092 56.048 -0.331 0.000 1.449 638 H CB 0.579 29.828 29.762 -0.856 0.000 1.649 638 H HN 0.231 nan 8.280 nan 0.000 0.519 639 P HA 0.044 nan 4.420 nan 0.000 0.268 639 P C -2.536 174.857 177.300 0.155 0.000 1.205 639 P CA -1.230 61.901 63.100 0.052 0.000 0.771 639 P CB 0.718 32.423 31.700 0.008 0.000 0.858 640 P HA 0.184 nan 4.420 nan 0.000 0.268 640 P C -0.240 177.234 177.300 0.290 0.000 1.208 640 P CA 0.412 63.513 63.100 0.002 0.000 0.777 640 P CB 0.494 31.877 31.700 -0.529 0.000 0.875 641 R N 1.160 121.765 120.500 0.176 0.000 2.604 641 R HA 0.582 4.923 4.340 0.002 0.000 0.281 641 R C -1.289 174.922 176.300 -0.149 0.000 1.020 641 R CA -1.012 55.135 56.100 0.079 0.000 0.899 641 R CB 1.576 31.950 30.300 0.124 0.000 1.205 641 R HN 0.292 nan 8.270 nan 0.000 0.450 642 L N 3.372 124.413 121.223 -0.304 0.000 2.296 642 L HA 0.592 4.933 4.340 0.002 0.000 0.286 642 L C -1.609 174.968 176.870 -0.488 0.000 1.023 642 L CA -0.041 54.604 54.840 -0.324 0.000 0.812 642 L CB 0.710 42.625 42.059 -0.241 0.000 1.223 642 L HN 0.472 nan 8.230 nan 0.000 0.421 643 F N 3.375 123.283 119.950 -0.069 0.000 2.577 643 F HA 0.807 5.335 4.527 0.001 0.000 0.318 643 F C 0.390 176.162 175.800 -0.046 0.000 1.065 643 F CA -0.637 57.324 58.000 -0.066 0.000 0.929 643 F CB 1.783 40.697 39.000 -0.143 0.000 1.237 643 F HN 0.579 nan 8.300 nan 0.000 0.468 644 A N 0.824 123.739 122.820 0.157 0.000 2.293 644 A HA 0.687 5.008 4.320 0.002 0.000 0.302 644 A C -1.110 176.501 177.584 0.045 0.000 1.119 644 A CA -0.496 51.593 52.037 0.086 0.000 0.823 644 A CB 0.964 19.990 19.000 0.044 0.000 1.097 644 A HN 0.889 nan 8.150 nan 0.000 0.491 645 C N 0.933 120.246 119.300 0.021 0.000 2.547 645 C HA 0.809 5.270 4.460 0.002 0.000 0.313 645 C C -0.474 174.503 174.990 -0.021 0.000 1.191 645 C CA -0.250 58.747 59.018 -0.036 0.000 1.474 645 C CB 0.945 28.715 27.740 0.050 0.000 2.081 645 C HN 0.876 nan 8.230 nan 0.000 0.476 646 S N 3.892 119.539 115.700 -0.087 0.000 2.677 646 S HA 0.349 4.820 4.470 0.002 0.000 0.283 646 S C -0.503 174.129 174.600 0.053 0.000 1.159 646 S CA -0.604 57.587 58.200 -0.015 0.000 1.001 646 S CB 1.119 64.300 63.200 -0.032 0.000 1.032 646 S HN 0.796 nan 8.310 nan 0.000 0.487 647 N N 1.473 120.241 118.700 0.112 0.000 2.575 647 N HA 0.112 4.853 4.740 0.002 0.000 0.275 647 N C -0.821 174.742 175.510 0.088 0.000 1.202 647 N CA -0.159 52.980 53.050 0.148 0.000 0.945 647 N CB 0.278 38.845 38.487 0.133 0.000 1.247 647 N HN 0.361 nan 8.380 nan 0.000 0.510 648 K N 1.541 121.981 120.400 0.067 0.000 2.264 648 K HA 0.256 4.577 4.320 0.002 0.000 0.277 648 K C -0.194 176.435 176.600 0.049 0.000 1.067 648 K CA -0.551 55.765 56.287 0.048 0.000 0.900 648 K CB 1.003 33.524 32.500 0.036 0.000 1.124 648 K HN 0.127 nan 8.250 nan 0.000 0.469 649 I N 2.484 123.081 120.570 0.045 0.000 6.579 649 I HA -0.201 3.970 4.170 0.002 0.000 0.126 649 I C 0.825 176.971 176.117 0.049 0.000 1.827 649 I CA 0.937 62.263 61.300 0.042 0.000 2.040 649 I CB -2.457 35.566 38.000 0.039 0.000 3.510 649 I HN 1.132 nan 8.210 nan 0.000 0.170 650 G N 2.658 111.488 108.800 0.050 0.000 2.449 650 G HA2 -0.295 3.666 3.960 0.002 0.000 0.304 650 G HA3 -0.295 3.666 3.960 0.002 0.000 0.304 650 G C 0.391 175.336 174.900 0.074 0.000 0.962 650 G CA 1.100 46.233 45.100 0.054 0.000 0.943 650 G HN 0.881 nan 8.290 nan 0.000 0.514 651 R N -0.959 119.597 120.500 0.093 0.000 2.500 651 R HA 0.573 4.914 4.340 0.002 0.000 0.299 651 R C -1.196 175.196 176.300 0.154 0.000 1.038 651 R CA -1.718 54.447 56.100 0.108 0.000 0.903 651 R CB 0.201 30.543 30.300 0.070 0.000 1.177 651 R HN 0.149 nan 8.270 nan 0.000 0.455 652 F N 5.646 125.610 119.950 0.023 0.000 2.375 652 F HA 0.535 5.063 4.527 0.001 0.000 0.362 652 F C -0.945 174.875 175.800 0.034 0.000 1.129 652 F CA -0.486 57.529 58.000 0.025 0.000 1.154 652 F CB 0.817 39.828 39.000 0.018 0.000 1.205 652 F HN 0.284 nan 8.300 nan 0.000 0.513 653 V N 8.509 128.146 119.914 -0.462 0.000 2.604 653 V HA 0.645 4.766 4.120 0.002 0.000 0.305 653 V C -0.772 175.022 176.094 -0.500 0.000 1.043 653 V CA -0.808 61.267 62.300 -0.375 0.000 0.888 653 V CB 1.944 33.687 31.823 -0.133 0.000 0.995 653 V HN 0.605 nan 8.190 nan 0.000 0.429 654 I N 2.905 123.279 120.570 -0.326 0.000 2.406 654 I HA 0.710 4.881 4.170 0.002 0.000 0.290 654 I C -0.541 175.607 176.117 0.051 0.000 0.999 654 I CA -0.354 60.850 61.300 -0.160 0.000 1.124 654 I CB 1.716 39.612 38.000 -0.173 0.000 1.289 654 I HN 0.672 nan 8.210 nan 0.000 0.441 655 E N 4.954 125.225 120.200 0.119 0.000 2.165 655 E HA 0.240 4.591 4.350 0.002 0.000 0.266 655 E C -0.948 175.775 176.600 0.204 0.000 0.889 655 E CA -0.693 55.797 56.400 0.151 0.000 0.756 655 E CB 1.553 31.297 29.700 0.073 0.000 1.131 655 E HN 0.766 nan 8.360 nan 0.000 0.411 656 E N 3.297 123.602 120.200 0.176 0.000 2.344 656 E HA 0.075 4.426 4.350 0.002 0.000 0.270 656 E C -0.774 175.746 176.600 -0.134 0.000 1.021 656 E CA -0.331 55.969 56.400 -0.167 0.000 0.887 656 E CB 1.168 30.724 29.700 -0.239 0.000 0.997 656 E HN 0.305 nan 8.360 nan 0.000 0.429 657 V N 6.986 126.791 119.914 -0.182 0.000 2.385 657 V HA 0.431 4.552 4.120 0.002 0.000 0.269 657 V C -2.379 173.627 176.094 -0.146 0.000 1.043 657 V CA -1.693 60.551 62.300 -0.092 0.000 0.906 657 V CB 0.973 32.785 31.823 -0.018 0.000 0.995 657 V HN 0.651 nan 8.190 nan 0.000 0.467 658 P HA 0.749 nan 4.420 nan 0.000 0.283 658 P C 0.211 177.422 177.300 -0.148 0.000 1.278 658 P CA 0.703 63.697 63.100 -0.178 0.000 0.834 658 P CB 1.516 33.134 31.700 -0.137 0.000 1.150 659 G N 0.157 108.842 108.800 -0.191 0.000 2.685 659 G HA2 -0.129 3.832 3.960 0.002 0.000 0.387 659 G HA3 -0.129 3.832 3.960 0.002 0.000 0.387 659 G C -0.947 173.846 174.900 -0.178 0.000 1.324 659 G CA -0.760 44.260 45.100 -0.134 0.000 0.878 659 G HN 0.589 nan 8.290 nan 0.000 0.527 660 E N -0.368 119.739 120.200 -0.155 0.000 2.413 660 E HA 0.339 4.689 4.350 0.002 0.000 0.263 660 E C -0.037 176.466 176.600 -0.162 0.000 1.015 660 E CA -0.003 56.261 56.400 -0.226 0.000 0.916 660 E CB 0.284 29.831 29.700 -0.255 0.000 0.947 660 E HN 0.299 nan 8.360 nan 0.000 0.440 661 F N 2.510 122.409 119.950 -0.084 0.000 2.495 661 F HA 0.137 4.665 4.527 0.001 0.000 0.365 661 F C 0.601 176.393 175.800 -0.014 0.000 1.090 661 F CA 0.134 58.007 58.000 -0.212 0.000 1.235 661 F CB 0.177 38.760 39.000 -0.694 0.000 1.119 661 F HN 0.143 nan 8.300 nan 0.000 0.562 662 M N 3.090 122.910 119.600 0.366 0.000 2.327 662 M HA 0.193 4.674 4.480 0.002 0.000 0.298 662 M C 0.857 177.305 176.300 0.247 0.000 1.065 662 M CA -0.508 54.956 55.300 0.273 0.000 0.916 662 M CB 2.140 34.785 32.600 0.074 0.000 1.630 662 M HN 0.714 nan 8.290 nan 0.000 0.442 663 Q N 1.623 121.392 119.800 -0.052 0.000 2.152 663 Q HA -0.210 4.131 4.340 0.002 0.000 0.206 663 Q C 0.783 176.444 176.000 -0.565 0.000 0.985 663 Q CA 2.306 57.743 55.803 -0.610 0.000 0.863 663 Q CB 0.347 28.321 28.738 -1.273 0.000 0.904 663 Q HN 0.723 nan 8.270 nan 0.000 0.422 664 E N 0.524 120.450 120.200 -0.457 0.000 2.209 664 E HA -0.176 4.175 4.350 0.002 0.000 0.196 664 E C 1.286 177.993 176.600 0.179 0.000 0.993 664 E CA 1.364 57.680 56.400 -0.139 0.000 0.819 664 E CB 0.025 29.684 29.700 -0.068 0.000 0.745 664 E HN 0.421 nan 8.360 nan 0.000 0.477 665 D N -0.233 120.249 120.400 0.136 0.000 2.347 665 D HA -0.050 4.591 4.640 0.002 0.000 0.215 665 D C -0.126 176.226 176.300 0.087 0.000 0.976 665 D CA 0.355 54.497 54.000 0.236 0.000 0.884 665 D CB 0.116 41.014 40.800 0.164 0.000 0.915 665 D HN 0.088 nan 8.370 nan 0.000 0.526 666 L N 1.640 122.845 121.223 -0.030 0.000 2.395 666 L HA 0.240 4.581 4.340 0.002 0.000 0.268 666 L C 0.304 177.142 176.870 -0.054 0.000 1.223 666 L CA -0.865 53.784 54.840 -0.318 0.000 1.093 666 L CB -0.578 41.064 42.059 -0.695 0.000 1.349 666 L HN -0.173 nan 8.230 nan 0.000 0.427 667 A N 1.507 124.238 122.820 -0.148 0.000 2.450 667 A HA 0.325 4.646 4.320 0.002 0.000 0.255 667 A C 1.486 179.171 177.584 0.169 0.000 1.096 667 A CA 0.330 52.240 52.037 -0.212 0.000 0.778 667 A CB 0.068 18.531 19.000 -0.896 0.000 1.031 667 A HN 0.787 nan 8.150 nan 0.000 0.494 668 T N -0.802 113.888 114.554 0.227 0.000 3.098 668 T HA -0.096 4.255 4.350 0.002 0.000 0.266 668 T C 0.567 175.296 174.700 0.048 0.000 1.145 668 T CA 1.376 63.571 62.100 0.158 0.000 1.092 668 T CB -0.263 68.618 68.868 0.022 0.000 0.908 668 T HN 0.721 nan 8.240 nan 0.000 0.526 669 D N -0.512 119.912 120.400 0.040 0.000 2.440 669 D HA 0.168 4.809 4.640 0.002 0.000 0.216 669 D C -0.251 176.054 176.300 0.008 0.000 1.150 669 D CA -0.449 53.555 54.000 0.006 0.000 0.832 669 D CB -0.011 40.796 40.800 0.011 0.000 0.992 669 D HN 0.273 nan 8.370 nan 0.000 0.502 670 D N -0.061 120.372 120.400 0.055 0.000 2.374 670 D HA 0.351 4.992 4.640 0.002 0.000 0.239 670 D C -0.576 175.813 176.300 0.148 0.000 0.991 670 D CA -0.677 53.366 54.000 0.072 0.000 0.960 670 D CB 3.221 44.038 40.800 0.029 0.000 1.284 670 D HN -0.208 nan 8.370 nan 0.000 0.512 671 V N 2.812 122.800 119.914 0.123 0.000 2.370 671 V HA 0.348 4.469 4.120 0.002 0.000 0.283 671 V C 0.223 176.439 176.094 0.203 0.000 1.023 671 V CA -0.541 61.854 62.300 0.158 0.000 0.857 671 V CB 1.284 33.162 31.823 0.090 0.000 0.985 671 V HN 0.416 nan 8.190 nan 0.000 0.443 672 M N 5.600 125.394 119.600 0.323 0.000 2.705 672 M HA 0.654 5.135 4.480 0.002 0.000 0.311 672 M C -0.842 175.607 176.300 0.250 0.000 1.214 672 M CA -0.636 54.823 55.300 0.266 0.000 0.920 672 M CB 1.969 34.736 32.600 0.279 0.000 1.687 672 M HN 0.337 nan 8.290 nan 0.000 0.481 673 L N 2.253 123.588 121.223 0.187 0.000 2.372 673 L HA 0.514 4.855 4.340 0.002 0.000 0.274 673 L C -0.895 176.078 176.870 0.171 0.000 0.988 673 L CA -0.326 54.597 54.840 0.138 0.000 0.833 673 L CB 2.026 44.017 42.059 -0.115 0.000 1.236 673 L HN 0.493 nan 8.230 nan 0.000 0.410 674 L N 3.665 125.030 121.223 0.237 0.000 2.272 674 L HA 0.309 4.650 4.340 0.002 0.000 0.284 674 L C -0.494 176.472 176.870 0.159 0.000 1.045 674 L CA -0.217 54.680 54.840 0.095 0.000 0.842 674 L CB 1.037 43.130 42.059 0.057 0.000 1.224 674 L HN 0.591 nan 8.230 nan 0.000 0.430 675 D N 3.438 123.910 120.400 0.119 0.000 2.524 675 D HA 0.110 4.751 4.640 0.002 0.000 0.222 675 D C 0.288 176.667 176.300 0.133 0.000 1.142 675 D CA -0.130 53.983 54.000 0.187 0.000 0.973 675 D CB 0.570 41.587 40.800 0.361 0.000 1.025 675 D HN 0.349 nan 8.370 nan 0.000 0.519 676 T N 2.018 116.611 114.554 0.065 0.000 2.788 676 T HA -0.138 4.213 4.350 0.002 0.000 0.333 676 T C 1.170 176.007 174.700 0.229 0.000 1.090 676 T CA -0.194 61.955 62.100 0.082 0.000 1.094 676 T CB 0.711 69.701 68.868 0.203 0.000 0.999 676 T HN 0.501 nan 8.240 nan 0.000 0.549 677 W N 1.434 122.780 121.300 0.077 0.000 2.443 677 W HA -0.091 4.570 4.660 0.001 0.000 0.296 677 W C 1.323 177.860 176.519 0.030 0.000 1.202 677 W CA 0.792 58.176 57.345 0.066 0.000 1.312 677 W CB -0.019 29.483 29.460 0.071 0.000 1.120 677 W HN 0.736 nan 8.180 nan 0.000 0.536 678 D N -0.008 120.507 120.400 0.193 0.000 2.265 678 D HA -0.169 4.472 4.640 0.002 0.000 0.208 678 D C 0.730 177.003 176.300 -0.045 0.000 0.977 678 D CA 1.377 55.421 54.000 0.074 0.000 0.871 678 D CB 0.167 41.051 40.800 0.140 0.000 0.925 678 D HN 0.271 nan 8.370 nan 0.000 0.485 679 Q N -0.708 119.056 119.800 -0.060 0.000 2.527 679 Q HA 0.323 4.664 4.340 0.002 0.000 0.280 679 Q C -2.177 173.742 176.000 -0.136 0.000 0.977 679 Q CA -0.483 55.235 55.803 -0.142 0.000 0.837 679 Q CB 2.290 30.909 28.738 -0.198 0.000 1.454 679 Q HN -0.193 nan 8.270 nan 0.000 0.387 680 V N 3.619 123.434 119.914 -0.164 0.000 2.349 680 V HA 0.437 4.558 4.120 0.002 0.000 0.284 680 V C -0.741 175.299 176.094 -0.090 0.000 1.014 680 V CA -0.476 61.793 62.300 -0.052 0.000 0.826 680 V CB 0.659 32.498 31.823 0.028 0.000 1.009 680 V HN 0.599 nan 8.190 nan 0.000 0.431 681 F N 3.671 123.705 119.950 0.139 0.000 2.471 681 F HA 0.439 4.967 4.527 0.002 0.000 0.353 681 F C 0.430 176.330 175.800 0.167 0.000 1.113 681 F CA -0.056 58.062 58.000 0.197 0.000 1.262 681 F CB 1.357 40.605 39.000 0.413 0.000 1.146 681 F HN 0.321 nan 8.300 nan 0.000 0.578 682 V N 4.837 124.937 119.914 0.311 0.000 2.409 682 V HA 0.371 4.492 4.120 0.002 0.000 0.290 682 V C -1.605 174.620 176.094 0.218 0.000 1.017 682 V CA -0.817 61.623 62.300 0.234 0.000 0.841 682 V CB 0.708 32.605 31.823 0.122 0.000 1.003 682 V HN 0.774 nan 8.190 nan 0.000 0.426 683 W N 7.323 128.654 121.300 0.051 0.000 2.331 683 W HA 0.638 5.298 4.660 0.001 0.000 0.306 683 W C -0.446 176.051 176.519 -0.038 0.000 1.162 683 W CA -0.612 56.686 57.345 -0.079 0.000 1.232 683 W CB 1.672 31.095 29.460 -0.062 0.000 1.235 683 W HN 0.684 nan 8.180 nan 0.000 0.479 684 V N 7.326 126.921 119.914 -0.533 0.000 2.370 684 V HA 0.793 4.914 4.120 0.002 0.000 0.283 684 V C 0.329 175.847 176.094 -0.960 0.000 1.023 684 V CA -0.502 61.510 62.300 -0.481 0.000 0.857 684 V CB 0.653 32.317 31.823 -0.265 0.000 0.985 684 V HN 0.752 nan 8.190 nan 0.000 0.443 685 G N 4.159 112.505 108.800 -0.757 0.000 2.442 685 G HA2 0.199 4.160 3.960 0.002 0.000 0.249 685 G HA3 0.199 4.160 3.960 0.002 0.000 0.249 685 G C 0.480 175.137 174.900 -0.405 0.000 1.263 685 G CA 0.113 44.793 45.100 -0.700 0.000 0.846 685 G HN 1.135 nan 8.290 nan 0.000 0.555 686 K N 0.845 121.015 120.400 -0.384 0.000 2.034 686 K HA -0.169 4.152 4.320 0.002 0.000 0.214 686 K C 0.788 177.301 176.600 -0.146 0.000 1.051 686 K CA 1.855 58.001 56.287 -0.234 0.000 0.931 686 K CB 0.005 32.379 32.500 -0.210 0.000 0.715 686 K HN 0.461 nan 8.250 nan 0.000 0.446 687 D N 1.191 121.523 120.400 -0.113 0.000 2.352 687 D HA 0.006 4.647 4.640 0.002 0.000 0.236 687 D C 0.011 176.282 176.300 -0.048 0.000 1.148 687 D CA 0.162 54.126 54.000 -0.061 0.000 0.844 687 D CB 0.230 41.012 40.800 -0.030 0.000 0.933 687 D HN 0.256 nan 8.370 nan 0.000 0.507 688 S N -0.531 115.128 115.700 -0.069 0.000 2.617 688 S HA 0.176 4.647 4.470 0.002 0.000 0.269 688 S C 0.351 174.928 174.600 -0.038 0.000 1.292 688 S CA -0.863 57.311 58.200 -0.045 0.000 1.010 688 S CB 1.993 65.162 63.200 -0.053 0.000 0.944 688 S HN 0.141 nan 8.310 nan 0.000 0.536 689 Q N -0.183 119.605 119.800 -0.019 0.000 2.432 689 Q HA 0.039 4.380 4.340 0.002 0.000 0.264 689 Q C -0.015 175.972 176.000 -0.022 0.000 1.035 689 Q CA -0.043 55.752 55.803 -0.014 0.000 0.908 689 Q CB 0.425 29.162 28.738 -0.001 0.000 1.280 689 Q HN 0.754 nan 8.270 nan 0.000 0.455 690 D N 1.632 122.019 120.400 -0.022 0.000 2.178 690 D HA -0.181 4.460 4.640 0.002 0.000 0.202 690 D C 1.521 177.808 176.300 -0.022 0.000 0.974 690 D CA 1.570 55.554 54.000 -0.028 0.000 0.841 690 D CB 0.174 40.959 40.800 -0.027 0.000 0.953 690 D HN 0.739 nan 8.370 nan 0.000 0.478 691 E N 0.831 121.024 120.200 -0.011 0.000 2.077 691 E HA -0.206 4.145 4.350 0.002 0.000 0.193 691 E C 1.691 178.290 176.600 -0.000 0.000 0.989 691 E CA 0.984 57.381 56.400 -0.005 0.000 0.800 691 E CB -0.355 29.347 29.700 0.003 0.000 0.746 691 E HN 0.284 nan 8.360 nan 0.000 0.452 692 E N 1.206 121.409 120.200 0.005 0.000 2.110 692 E HA -0.176 4.175 4.350 0.002 0.000 0.193 692 E C 2.065 178.667 176.600 0.004 0.000 0.988 692 E CA 1.587 57.998 56.400 0.018 0.000 0.804 692 E CB -0.009 29.705 29.700 0.023 0.000 0.745 692 E HN 0.443 nan 8.360 nan 0.000 0.458 693 K N -0.366 120.022 120.400 -0.021 0.000 2.400 693 K HA 0.110 4.431 4.320 0.002 0.000 0.194 693 K C 1.627 178.202 176.600 -0.041 0.000 1.033 693 K CA 0.800 57.062 56.287 -0.042 0.000 1.021 693 K CB 0.371 32.826 32.500 -0.075 0.000 0.808 693 K HN -0.158 nan 8.250 nan 0.000 0.505 694 T N 1.455 115.990 114.554 -0.032 0.000 2.978 694 T HA 0.025 4.376 4.350 0.002 0.000 0.262 694 T C 0.945 175.630 174.700 -0.026 0.000 1.063 694 T CA 0.724 62.805 62.100 -0.032 0.000 1.140 694 T CB 0.068 68.918 68.868 -0.029 0.000 0.886 694 T HN 0.239 nan 8.240 nan 0.000 0.470 695 E N 1.263 121.453 120.200 -0.016 0.000 2.403 695 E HA 0.300 4.651 4.350 0.002 0.000 0.187 695 E C 1.873 178.470 176.600 -0.004 0.000 1.073 695 E CA -0.100 56.291 56.400 -0.014 0.000 0.888 695 E CB -0.041 29.657 29.700 -0.004 0.000 1.035 695 E HN 0.444 nan 8.360 nan 0.000 0.471 696 A N 1.090 123.907 122.820 -0.005 0.000 1.851 696 A HA -0.187 4.134 4.320 0.002 0.000 0.216 696 A C 2.236 179.824 177.584 0.006 0.000 1.195 696 A CA 1.082 53.124 52.037 0.008 0.000 0.622 696 A CB -0.647 18.347 19.000 -0.009 0.000 0.831 696 A HN 0.282 nan 8.150 nan 0.000 0.444 697 L N -0.607 120.608 121.223 -0.014 0.000 2.012 697 L HA -0.201 4.140 4.340 0.002 0.000 0.210 697 L C 2.839 179.686 176.870 -0.039 0.000 1.073 697 L CA 1.946 56.773 54.840 -0.023 0.000 0.748 697 L CB -0.742 41.298 42.059 -0.032 0.000 0.891 697 L HN 0.430 nan 8.230 nan 0.000 0.431 698 T N -1.547 112.975 114.554 -0.053 0.000 2.833 698 T HA -0.151 4.199 4.350 0.002 0.000 0.269 698 T C 2.087 176.703 174.700 -0.141 0.000 1.054 698 T CA 1.486 63.529 62.100 -0.094 0.000 1.135 698 T CB -0.109 68.702 68.868 -0.095 0.000 0.869 698 T HN 0.267 nan 8.240 nan 0.000 0.466 699 S N 1.421 117.075 115.700 -0.078 0.000 2.355 699 S HA 0.039 4.510 4.470 0.002 0.000 0.222 699 S C 2.660 177.292 174.600 0.053 0.000 1.031 699 S CA 0.840 59.017 58.200 -0.038 0.000 0.993 699 S CB -0.606 62.703 63.200 0.183 0.000 0.859 699 S HN 0.597 nan 8.310 nan 0.000 0.453 700 A N 1.697 124.556 122.820 0.064 0.000 1.917 700 A HA -0.197 4.124 4.320 0.002 0.000 0.219 700 A C 2.059 179.688 177.584 0.074 0.000 1.182 700 A CA 1.801 53.893 52.037 0.092 0.000 0.633 700 A CB -0.483 18.545 19.000 0.047 0.000 0.819 700 A HN 0.437 nan 8.150 nan 0.000 0.448 701 K N -0.986 119.396 120.400 -0.030 0.000 2.057 701 K HA -0.066 4.255 4.320 0.002 0.000 0.206 701 K C 2.404 178.932 176.600 -0.120 0.000 1.050 701 K CA 1.227 57.465 56.287 -0.081 0.000 0.935 701 K CB -0.167 32.269 32.500 -0.108 0.000 0.715 701 K HN 0.374 nan 8.250 nan 0.000 0.439 702 R N -0.364 120.011 120.500 -0.208 0.000 2.083 702 R HA -0.206 4.135 4.340 0.002 0.000 0.237 702 R C 2.312 178.556 176.300 -0.095 0.000 1.137 702 R CA 1.970 57.872 56.100 -0.330 0.000 0.951 702 R CB -0.462 29.264 30.300 -0.956 0.000 0.851 702 R HN 0.332 nan 8.270 nan 0.000 0.434 703 Y N 1.022 121.303 120.300 -0.032 0.000 2.128 703 Y HA -0.231 4.320 4.550 0.002 0.000 0.284 703 Y C 2.031 177.878 175.900 -0.088 0.000 1.154 703 Y CA 1.689 59.817 58.100 0.047 0.000 1.149 703 Y CB -0.196 38.279 38.460 0.026 0.000 0.976 703 Y HN -0.022 nan 8.280 nan 0.000 0.505 704 I N 0.264 120.699 120.570 -0.226 0.000 2.252 704 I HA -0.276 3.895 4.170 0.002 0.000 0.245 704 I C 1.708 177.631 176.117 -0.324 0.000 1.102 704 I CA 1.524 62.609 61.300 -0.357 0.000 1.385 704 I CB -0.348 37.538 38.000 -0.189 0.000 1.064 704 I HN 0.243 nan 8.210 nan 0.000 0.414 705 D N -0.154 120.107 120.400 -0.231 0.000 2.224 705 D HA -0.114 4.527 4.640 0.002 0.000 0.205 705 D C 2.092 178.254 176.300 -0.229 0.000 0.965 705 D CA 1.168 55.045 54.000 -0.204 0.000 0.852 705 D CB -0.101 40.606 40.800 -0.156 0.000 0.947 705 D HN 0.198 nan 8.370 nan 0.000 0.494 706 T N 0.322 114.744 114.554 -0.221 0.000 3.067 706 T HA -0.063 4.288 4.350 0.002 0.000 0.261 706 T C 0.512 175.057 174.700 -0.258 0.000 1.110 706 T CA -0.029 61.964 62.100 -0.179 0.000 1.113 706 T CB 0.099 68.939 68.868 -0.046 0.000 0.917 706 T HN 0.043 nan 8.240 nan 0.000 0.499 707 D N 1.664 121.836 120.400 -0.380 0.000 2.450 707 D HA 0.024 4.665 4.640 0.002 0.000 0.247 707 D C -1.665 174.420 176.300 -0.358 0.000 1.162 707 D CA -1.643 52.120 54.000 -0.395 0.000 0.879 707 D CB 1.665 42.178 40.800 -0.479 0.000 1.163 707 D HN 0.052 nan 8.370 nan 0.000 0.472 708 P HA -0.144 nan 4.420 nan 0.000 0.218 708 P C 0.769 177.856 177.300 -0.355 0.000 1.146 708 P CA 1.045 63.940 63.100 -0.342 0.000 0.813 708 P CB 0.172 31.580 31.700 -0.486 0.000 0.778 709 A N -1.531 121.112 122.820 -0.295 0.000 2.216 709 A HA -0.162 4.159 4.320 0.002 0.000 0.214 709 A C 0.456 178.039 177.584 -0.001 0.000 1.160 709 A CA 0.477 52.437 52.037 -0.128 0.000 0.725 709 A CB -1.329 17.723 19.000 0.085 0.000 0.784 709 A HN 0.286 nan 8.150 nan 0.000 0.472 710 H N -0.306 118.669 119.070 -0.158 0.000 2.680 710 H HA -0.134 4.423 4.556 0.002 0.000 0.328 710 H C 0.185 175.447 175.328 -0.110 0.000 1.139 710 H CA 1.210 57.179 56.048 -0.132 0.000 1.124 710 H CB -1.062 28.626 29.762 -0.124 0.000 1.584 710 H HN 0.859 nan 8.280 nan 0.000 0.410 711 R N -0.156 120.284 120.500 -0.100 0.000 2.607 711 R HA 0.349 4.690 4.340 0.002 0.000 0.261 711 R C -0.048 176.154 176.300 -0.163 0.000 1.051 711 R CA -0.966 55.053 56.100 -0.134 0.000 1.110 711 R CB 1.165 31.281 30.300 -0.307 0.000 1.158 711 R HN -0.003 nan 8.270 nan 0.000 0.543 712 D N 0.942 121.238 120.400 -0.174 0.000 2.479 712 D HA -0.056 4.585 4.640 0.002 0.000 0.257 712 D C 0.540 176.737 176.300 -0.172 0.000 1.230 712 D CA 0.406 54.317 54.000 -0.148 0.000 0.912 712 D CB 0.642 41.356 40.800 -0.144 0.000 1.130 712 D HN 0.428 nan 8.370 nan 0.000 0.515 713 R N 2.795 123.214 120.500 -0.134 0.000 2.328 713 R HA -0.032 4.309 4.340 0.002 0.000 0.207 713 R C 1.461 177.682 176.300 -0.131 0.000 1.056 713 R CA 0.570 56.589 56.100 -0.134 0.000 1.016 713 R CB 0.317 30.552 30.300 -0.108 0.000 0.872 713 R HN 0.346 nan 8.270 nan 0.000 0.471 714 R N -0.349 120.073 120.500 -0.131 0.000 2.317 714 R HA 0.077 4.418 4.340 0.002 0.000 0.208 714 R C 0.146 176.364 176.300 -0.136 0.000 0.914 714 R CA 0.076 56.098 56.100 -0.131 0.000 1.060 714 R CB 0.363 30.590 30.300 -0.122 0.000 1.015 714 R HN -0.017 nan 8.270 nan 0.000 0.498 715 T N 4.469 118.929 114.554 -0.157 0.000 2.849 715 T HA -0.005 4.346 4.350 0.002 0.000 0.289 715 T C -2.229 172.390 174.700 -0.134 0.000 1.010 715 T CA -0.487 61.510 62.100 -0.171 0.000 1.161 715 T CB 0.473 69.196 68.868 -0.241 0.000 0.989 715 T HN 0.081 nan 8.240 nan 0.000 0.523 716 P HA 0.301 nan 4.420 nan 0.000 0.271 716 P C -0.512 176.724 177.300 -0.106 0.000 1.216 716 P CA -0.132 62.915 63.100 -0.088 0.000 0.771 716 P CB 0.484 32.151 31.700 -0.056 0.000 0.864 717 I N 2.280 122.800 120.570 -0.083 0.000 2.441 717 I HA 0.334 4.505 4.170 0.002 0.000 0.295 717 I C 0.132 176.201 176.117 -0.080 0.000 0.994 717 I CA -0.306 60.945 61.300 -0.081 0.000 1.144 717 I CB 1.953 39.924 38.000 -0.048 0.000 1.314 717 I HN 0.166 nan 8.210 nan 0.000 0.445 718 T N 5.017 119.507 114.554 -0.107 0.000 2.930 718 T HA 0.321 4.672 4.350 0.002 0.000 0.313 718 T C -0.348 174.375 174.700 0.038 0.000 1.019 718 T CA -0.430 61.624 62.100 -0.078 0.000 1.004 718 T CB 1.309 70.040 68.868 -0.229 0.000 0.987 718 T HN 0.149 nan 8.240 nan 0.000 0.456 719 V N 4.230 124.157 119.914 0.021 0.000 2.432 719 V HA 0.445 4.566 4.120 0.002 0.000 0.271 719 V C 0.191 176.290 176.094 0.008 0.000 1.046 719 V CA -0.459 61.853 62.300 0.020 0.000 0.945 719 V CB 1.130 32.942 31.823 -0.019 0.000 0.992 719 V HN 0.629 nan 8.190 nan 0.000 0.471 720 V N 5.106 125.011 119.914 -0.014 0.000 2.680 720 V HA 0.553 4.674 4.120 0.002 0.000 0.309 720 V C -0.246 175.695 176.094 -0.255 0.000 1.052 720 V CA -0.980 61.265 62.300 -0.091 0.000 0.908 720 V CB 2.417 34.163 31.823 -0.129 0.000 1.001 720 V HN 0.839 nan 8.190 nan 0.000 0.431 721 K N 2.162 122.425 120.400 -0.228 0.000 2.207 721 K HA 0.447 4.768 4.320 0.002 0.000 0.255 721 K C -0.331 176.068 176.600 -0.335 0.000 0.941 721 K CA -0.504 55.592 56.287 -0.318 0.000 0.825 721 K CB 1.565 33.981 32.500 -0.140 0.000 1.119 721 K HN 0.743 nan 8.250 nan 0.000 0.430 722 Q N 1.260 120.645 119.800 -0.692 0.000 2.304 722 Q HA 0.043 4.384 4.340 0.002 0.000 0.315 722 Q C 0.630 176.491 176.000 -0.232 0.000 1.075 722 Q CA 1.655 57.116 55.803 -0.571 0.000 0.988 722 Q CB 0.020 28.249 28.738 -0.848 0.000 1.146 722 Q HN 0.815 nan 8.270 nan 0.000 0.383 723 G N 3.330 112.057 108.800 -0.122 0.000 2.205 723 G HA2 -0.291 3.670 3.960 0.002 0.000 0.261 723 G HA3 -0.291 3.670 3.960 0.002 0.000 0.261 723 G C 0.065 174.591 174.900 -0.624 0.000 0.980 723 G CA 0.260 45.185 45.100 -0.291 0.000 0.632 723 G HN 0.652 nan 8.290 nan 0.000 0.533 724 F N 1.189 121.186 119.950 0.078 0.000 2.733 724 F HA 0.422 4.949 4.527 0.000 0.000 0.380 724 F C 0.361 176.187 175.800 0.043 0.000 1.324 724 F CA -0.778 57.256 58.000 0.058 0.000 1.178 724 F CB 0.751 39.749 39.000 -0.003 0.000 1.093 724 F HN -0.003 nan 8.300 nan 0.000 0.512 725 E N 3.317 123.604 120.200 0.145 0.000 2.360 725 E HA 0.173 4.524 4.350 0.002 0.000 0.269 725 E C -2.187 174.435 176.600 0.036 0.000 1.022 725 E CA -1.592 54.807 56.400 -0.000 0.000 0.887 725 E CB 0.268 29.922 29.700 -0.078 0.000 0.990 725 E HN 0.013 nan 8.360 nan 0.000 0.426 726 P HA 0.122 nan 4.420 nan 0.000 0.276 726 P C -2.239 174.967 177.300 -0.156 0.000 1.261 726 P CA -1.657 61.405 63.100 -0.064 0.000 0.800 726 P CB 0.584 32.193 31.700 -0.152 0.000 1.066 727 P HA -0.149 nan 4.420 nan 0.000 0.216 727 P C 1.645 178.783 177.300 -0.270 0.000 1.150 727 P CA 1.843 64.730 63.100 -0.356 0.000 0.837 727 P CB -0.400 30.908 31.700 -0.654 0.000 0.786 728 S N -2.488 113.106 115.700 -0.176 0.000 2.515 728 S HA -0.084 4.387 4.470 0.002 0.000 0.231 728 S C 1.686 176.254 174.600 -0.053 0.000 0.987 728 S CA 0.308 58.482 58.200 -0.044 0.000 0.936 728 S CB -1.364 61.929 63.200 0.156 0.000 0.766 728 S HN 0.079 nan 8.310 nan 0.000 0.528 729 F N 2.599 122.320 119.950 -0.382 0.000 2.222 729 F HA 0.147 4.675 4.527 0.001 0.000 0.285 729 F C 2.220 177.891 175.800 -0.214 0.000 1.068 729 F CA 0.975 58.648 58.000 -0.543 0.000 1.265 729 F CB -0.220 38.358 39.000 -0.703 0.000 1.087 729 F HN 0.108 nan 8.300 nan 0.000 0.511 730 V N -0.607 119.160 119.914 -0.245 0.000 2.759 730 V HA 0.016 4.137 4.120 0.002 0.000 0.256 730 V C 2.255 178.247 176.094 -0.169 0.000 1.080 730 V CA 1.808 63.778 62.300 -0.551 0.000 1.101 730 V CB -1.896 29.262 31.823 -1.109 0.000 0.698 730 V HN 0.393 nan 8.190 nan 0.000 0.477 731 G N -0.694 107.977 108.800 -0.215 0.000 2.479 731 G HA2 -0.236 3.725 3.960 0.002 0.000 0.220 731 G HA3 -0.236 3.725 3.960 0.002 0.000 0.220 731 G C 1.121 175.880 174.900 -0.235 0.000 1.115 731 G CA 0.650 45.608 45.100 -0.238 0.000 0.757 731 G HN 0.722 nan 8.290 nan 0.000 0.560 732 W N -0.745 120.505 121.300 -0.085 0.000 2.905 732 W HA 0.399 5.060 4.660 0.002 0.000 0.251 732 W C -0.109 176.333 176.519 -0.129 0.000 1.305 732 W CA -0.855 56.405 57.345 -0.141 0.000 1.465 732 W CB 0.202 29.421 29.460 -0.401 0.000 1.122 732 W HN -0.066 nan 8.180 nan 0.000 0.659 733 F N 0.531 120.603 119.950 0.202 0.000 2.332 733 F HA 0.217 4.745 4.527 0.002 0.000 0.368 733 F C 1.060 176.989 175.800 0.215 0.000 1.110 733 F CA -0.943 57.214 58.000 0.262 0.000 1.087 733 F CB 0.652 39.880 39.000 0.379 0.000 1.235 733 F HN -0.300 nan 8.300 nan 0.000 0.470 734 L N 3.119 124.519 121.223 0.296 0.000 1.971 734 L HA -0.077 4.264 4.340 0.002 0.000 0.215 734 L C 2.140 179.115 176.870 0.174 0.000 1.072 734 L CA 2.033 56.990 54.840 0.195 0.000 0.758 734 L CB -0.571 41.567 42.059 0.132 0.000 0.889 734 L HN 0.745 nan 8.230 nan 0.000 0.433 735 G N -1.531 107.354 108.800 0.142 0.000 3.562 735 G HA2 -0.067 3.894 3.960 0.002 0.000 0.279 735 G HA3 -0.067 3.894 3.960 0.002 0.000 0.279 735 G C -0.102 174.824 174.900 0.044 0.000 1.314 735 G CA -0.526 44.612 45.100 0.063 0.000 1.189 735 G HN 0.277 nan 8.290 nan 0.000 0.562 736 W N 1.540 122.838 121.300 -0.003 0.000 2.264 736 W HA 0.278 4.938 4.660 0.000 0.000 0.331 736 W C -1.158 175.320 176.519 -0.067 0.000 1.364 736 W CA 0.253 57.561 57.345 -0.062 0.000 1.253 736 W CB 0.970 30.427 29.460 -0.005 0.000 1.215 736 W HN 0.162 nan 8.180 nan 0.000 0.561 737 D N 4.307 124.356 120.400 -0.585 0.000 2.549 737 D HA 0.101 4.742 4.640 0.002 0.000 0.251 737 D C 0.645 176.760 176.300 -0.307 0.000 1.153 737 D CA -0.361 53.458 54.000 -0.301 0.000 0.861 737 D CB 1.129 41.765 40.800 -0.272 0.000 1.207 737 D HN 0.242 nan 8.370 nan 0.000 0.543 738 D N 1.453 121.870 120.400 0.029 0.000 2.218 738 D HA -0.103 4.538 4.640 0.002 0.000 0.204 738 D C 1.116 177.461 176.300 0.076 0.000 0.976 738 D CA 0.929 55.019 54.000 0.151 0.000 0.853 738 D CB 0.323 41.236 40.800 0.187 0.000 0.939 738 D HN 0.353 nan 8.370 nan 0.000 0.481 739 S N -0.468 115.236 115.700 0.007 0.000 2.575 739 S HA -0.034 4.437 4.470 0.002 0.000 0.215 739 S C 1.599 176.163 174.600 -0.060 0.000 0.966 739 S CA -0.463 57.736 58.200 -0.002 0.000 0.911 739 S CB -0.247 62.946 63.200 -0.011 0.000 0.780 739 S HN 0.321 nan 8.310 nan 0.000 0.514 740 Y N 1.761 121.864 120.300 -0.327 0.000 2.102 740 Y HA -0.252 4.299 4.550 0.001 0.000 0.280 740 Y C 1.694 177.342 175.900 -0.419 0.000 1.178 740 Y CA 1.900 59.684 58.100 -0.527 0.000 1.146 740 Y CB -0.133 37.729 38.460 -0.996 0.000 0.968 740 Y HN 0.317 nan 8.280 nan 0.000 0.504 741 W N -0.195 121.048 121.300 -0.096 0.000 3.003 741 W HA 0.027 4.687 4.660 0.000 0.000 0.257 741 W C 2.726 179.180 176.519 -0.109 0.000 1.308 741 W CA 1.061 58.327 57.345 -0.132 0.000 1.529 741 W CB -0.991 28.471 29.460 0.004 0.000 1.115 741 W HN 0.319 nan 8.180 nan 0.000 0.659 742 S N 0.649 116.406 115.700 0.094 0.000 2.402 742 S HA -0.166 4.305 4.470 0.002 0.000 0.233 742 S C 0.834 175.430 174.600 -0.006 0.000 1.030 742 S CA 1.314 59.538 58.200 0.040 0.000 1.003 742 S CB -0.767 62.444 63.200 0.019 0.000 0.813 742 S HN -0.057 nan 8.310 nan 0.000 0.477 743 V N 2.097 121.973 119.914 -0.063 0.000 2.407 743 V HA 0.437 4.558 4.120 0.002 0.000 0.291 743 V C -0.775 175.244 176.094 -0.126 0.000 1.018 743 V CA -0.950 61.300 62.300 -0.082 0.000 0.842 743 V CB 0.975 32.743 31.823 -0.092 0.000 0.996 743 V HN 0.436 nan 8.190 nan 0.000 0.426 744 D N 8.958 129.318 120.400 -0.067 0.000 2.662 744 D HA 0.044 4.685 4.640 0.002 0.000 0.233 744 D C -1.176 175.046 176.300 -0.130 0.000 1.129 744 D CA -0.204 53.763 54.000 -0.054 0.000 0.851 744 D CB 1.400 42.191 40.800 -0.015 0.000 1.152 744 D HN 0.456 nan 8.370 nan 0.000 0.507 745 P HA -0.171 nan 4.420 nan 0.000 0.218 745 P C 1.549 178.764 177.300 -0.142 0.000 1.149 745 P CA 0.424 63.342 63.100 -0.303 0.000 0.817 745 P CB 0.076 31.566 31.700 -0.350 0.000 0.785 746 L N 0.852 122.033 121.223 -0.069 0.000 2.046 746 L HA -0.110 4.231 4.340 0.002 0.000 0.208 746 L C 1.623 178.455 176.870 -0.063 0.000 1.077 746 L CA 2.097 56.905 54.840 -0.053 0.000 0.747 746 L CB -1.591 40.456 42.059 -0.021 0.000 0.896 746 L HN -0.200 nan 8.230 nan 0.000 0.432 747 D N -0.689 119.673 120.400 -0.063 0.000 2.178 747 D HA -0.192 4.449 4.640 0.002 0.000 0.201 747 D C 2.251 178.507 176.300 -0.072 0.000 0.980 747 D CA 0.945 54.908 54.000 -0.062 0.000 0.842 747 D CB -0.154 40.614 40.800 -0.054 0.000 0.948 747 D HN 0.378 nan 8.370 nan 0.000 0.472 748 R N 0.609 121.054 120.500 -0.092 0.000 2.073 748 R HA -0.018 4.323 4.340 0.002 0.000 0.229 748 R C 2.073 178.325 176.300 -0.080 0.000 1.120 748 R CA 1.184 57.228 56.100 -0.094 0.000 0.967 748 R CB -0.091 30.131 30.300 -0.130 0.000 0.862 748 R HN 0.087 nan 8.270 nan 0.000 0.436 749 A N 1.032 123.804 122.820 -0.080 0.000 1.902 749 A HA -0.149 4.172 4.320 0.002 0.000 0.217 749 A C 1.987 179.532 177.584 -0.065 0.000 1.181 749 A CA 1.028 53.023 52.037 -0.069 0.000 0.623 749 A CB -0.434 18.524 19.000 -0.070 0.000 0.818 749 A HN 0.276 nan 8.150 nan 0.000 0.443 750 L N -0.654 120.529 121.223 -0.067 0.000 2.201 750 L HA 0.017 4.358 4.340 0.002 0.000 0.212 750 L C 2.499 179.330 176.870 -0.065 0.000 1.105 750 L CA 1.520 56.319 54.840 -0.067 0.000 0.775 750 L CB -0.696 41.322 42.059 -0.069 0.000 0.913 750 L HN 0.372 nan 8.230 nan 0.000 0.440 751 A N -1.612 121.171 122.820 -0.062 0.000 2.291 751 A HA 0.043 4.364 4.320 0.002 0.000 0.220 751 A C 1.701 179.254 177.584 -0.053 0.000 1.262 751 A CA 0.465 52.469 52.037 -0.056 0.000 0.867 751 A CB -0.414 18.554 19.000 -0.054 0.000 0.888 751 A HN 0.514 nan 8.150 nan 0.000 0.487 752 E N -1.306 118.861 120.200 -0.055 0.000 2.441 752 E HA 0.118 4.469 4.350 0.002 0.000 0.212 752 E C 1.023 177.592 176.600 -0.051 0.000 0.840 752 E CA -0.236 56.134 56.400 -0.051 0.000 1.143 752 E CB 0.159 29.828 29.700 -0.051 0.000 1.153 752 E HN 0.358 nan 8.360 nan 0.000 0.539 753 L N 0.459 121.649 121.223 -0.056 0.000 2.127 753 L HA 0.154 4.495 4.340 0.002 0.000 0.203 753 L C 1.655 178.489 176.870 -0.060 0.000 1.080 753 L CA 1.238 56.043 54.840 -0.058 0.000 0.768 753 L CB -0.628 41.394 42.059 -0.062 0.000 0.924 753 L HN 0.012 nan 8.230 nan 0.000 0.444 754 A N -0.856 121.926 122.820 -0.063 0.000 3.003 754 A HA 0.688 5.009 4.320 0.002 0.000 0.301 754 A C 0.528 178.082 177.584 -0.050 0.000 1.280 754 A CA 0.324 52.324 52.037 -0.061 0.000 0.973 754 A CB -0.445 18.509 19.000 -0.076 0.000 1.110 754 A HN 0.246 nan 8.150 nan 0.000 0.590 755 A N 0.000 122.793 122.820 -0.045 0.000 2.254 755 A HA 0.000 4.321 4.320 0.002 0.000 0.244 755 A CA 0.000 52.013 52.037 -0.039 0.000 0.836 755 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 755 A HN 0.000 nan 8.150 nan 0.000 0.486