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 2z3w_1_A DATA FIRST_RESID 53 DATA SEQUENCE YVVGLQWMGD NYVFIEGDDL VFNKXXXXXX XTTRFSAADL NALMPEXXXX DATA SEQUENCE XXXXXFPSFR TLDAGRGLVV LFTQGGLVGF DMLARKVTYL FDTNEETASL DATA SEQUENCE DFSPVGDRVA YVRNHNLYIA RGGKLGEGMS RAIAVTIDGT ETLVYGQAVH DATA SEQUENCE QREFGIEKGT FWSPKGSCLA FYRMDQSMVK PTPIVDYHPL EAESKPLYYP DATA SEQUENCE MAGTPSHHVT VGIYHLATGK TVYLQTGEPK EKFLTNLSWS PDENILYVAE DATA SEQUENCE VNRAQNECKV NAYDAETGRF VRTLFVETDK HYVEPLHPLT FLPGSNNQFI DATA SEQUENCE WQSRRDGWNH LYLYDTTGRL IRQVTKGEWE VTNFAGFDPK GTRLYFESTE DATA SEQUENCE ASPLERHFYC IDIKGGKTKD LTPESGMHRT QLSPDGSAII DIFQSPTVPR DATA SEQUENCE KVTVTNIGKG SHTLLEAKXX XXXXAMPEIR TGTIMAADGQ TPLYYKLTMP DATA SEQUENCE LHFDPAKKYP VIVYVYGGPH AQLVTKTWRX XXGGWDIYMA QKGYAVFTVD DATA SEQUENCE SRGSANRGAA FEQVIHRRLG QTEMADQMCG VDFLKSQSWV DADRIGVHGW DATA SEQUENCE SYGGFMTTNL MLTHGDVFKV GVAGGPVIDW NRYAIMYGER YFDAPQENPE DATA SEQUENCE GYDAANLLKR AGDLKGRLML IHGAIDPVVV WQHSLLFLDA CVKARTYPDY DATA SEQUENCE YVYPSHEHNV MGPDRVHLYE TITRYFTDHL 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 53 Y HA 0.000 nan 4.550 nan 0.000 0.201 53 Y C 0.000 175.827 175.900 -0.122 0.000 1.272 53 Y CA 0.000 58.035 58.100 -0.108 0.000 1.940 53 Y CB 0.000 38.413 38.460 -0.078 0.000 1.050 54 V N 3.936 123.768 119.914 -0.136 0.000 2.289 54 V HA 0.406 4.527 4.120 0.002 0.000 0.272 54 V C 0.247 176.301 176.094 -0.068 0.000 1.026 54 V CA -1.287 60.914 62.300 -0.165 0.000 0.807 54 V CB 0.354 31.993 31.823 -0.306 0.000 1.044 54 V HN 1.078 nan 8.190 nan 0.000 0.443 55 V N 3.606 123.511 119.914 -0.014 0.000 2.583 55 V HA 0.225 4.346 4.120 0.002 0.000 0.302 55 V C 1.589 177.697 176.094 0.024 0.000 1.033 55 V CA 1.279 63.581 62.300 0.003 0.000 1.194 55 V CB -0.396 31.438 31.823 0.018 0.000 0.879 55 V HN 1.318 nan 8.190 nan 0.000 0.482 56 G N 3.615 112.402 108.800 -0.021 0.000 2.221 56 G HA2 -0.234 3.727 3.960 0.002 0.000 0.265 56 G HA3 -0.234 3.727 3.960 0.002 0.000 0.265 56 G C -0.194 174.710 174.900 0.007 0.000 1.041 56 G CA 0.138 45.217 45.100 -0.035 0.000 0.807 56 G HN 1.009 nan 8.290 nan 0.000 0.502 57 L N 0.889 122.112 121.223 -0.000 0.000 2.562 57 L HA 0.543 4.884 4.340 0.002 0.000 0.271 57 L C 0.492 177.325 176.870 -0.062 0.000 1.167 57 L CA 0.747 55.581 54.840 -0.010 0.000 0.917 57 L CB 0.148 42.163 42.059 -0.073 0.000 1.187 57 L HN 0.715 nan 8.230 nan 0.000 0.482 58 Q N 3.343 123.091 119.800 -0.085 0.000 2.687 58 Q HA 0.310 4.651 4.340 0.002 0.000 0.295 58 Q C -1.689 174.226 176.000 -0.140 0.000 0.920 58 Q CA -1.020 54.734 55.803 -0.082 0.000 0.766 58 Q CB 0.364 29.138 28.738 0.060 0.000 1.467 58 Q HN 0.505 nan 8.270 nan 0.000 0.415 59 W N 1.144 122.499 121.300 0.092 0.000 2.316 59 W HA 0.606 5.267 4.660 0.002 0.000 0.321 59 W C -0.130 176.443 176.519 0.089 0.000 1.203 59 W CA -0.410 56.992 57.345 0.095 0.000 1.214 59 W CB 1.368 30.872 29.460 0.074 0.000 1.169 59 W HN 0.369 nan 8.180 nan 0.000 0.561 60 M N 4.056 123.884 119.600 0.381 0.000 2.090 60 M HA 0.325 4.806 4.480 0.002 0.000 0.277 60 M C 0.667 177.125 176.300 0.264 0.000 0.935 60 M CA -0.108 55.354 55.300 0.269 0.000 0.966 60 M CB 1.530 34.260 32.600 0.216 0.000 1.635 60 M HN 0.812 nan 8.290 nan 0.000 0.446 61 G N 3.174 112.087 108.800 0.188 0.000 2.596 61 G HA2 -0.326 3.635 3.960 0.002 0.000 0.304 61 G HA3 -0.326 3.635 3.960 0.002 0.000 0.304 61 G C 0.108 175.095 174.900 0.144 0.000 1.189 61 G CA 0.781 45.956 45.100 0.124 0.000 0.986 61 G HN 0.876 nan 8.290 nan 0.000 0.548 62 D N 1.477 121.961 120.400 0.141 0.000 2.368 62 D HA 0.147 4.788 4.640 0.002 0.000 0.218 62 D C 0.276 176.780 176.300 0.339 0.000 1.112 62 D CA -0.053 54.041 54.000 0.156 0.000 0.834 62 D CB -0.448 40.391 40.800 0.064 0.000 0.953 62 D HN 0.425 nan 8.370 nan 0.000 0.505 63 N N 0.989 119.914 118.700 0.375 0.000 2.405 63 N HA 0.198 4.939 4.740 0.002 0.000 0.299 63 N C -0.550 175.142 175.510 0.302 0.000 1.075 63 N CA -0.594 52.633 53.050 0.295 0.000 0.884 63 N CB 1.319 39.957 38.487 0.251 0.000 1.194 63 N HN 0.234 nan 8.380 nan 0.000 0.491 64 Y N -1.021 119.248 120.300 -0.053 0.000 2.310 64 Y HA 0.699 5.250 4.550 0.002 0.000 0.326 64 Y C -0.410 175.338 175.900 -0.253 0.000 1.151 64 Y CA -0.907 56.930 58.100 -0.437 0.000 1.195 64 Y CB 0.747 38.732 38.460 -0.792 0.000 1.210 64 Y HN 0.099 nan 8.280 nan 0.000 0.483 65 V N 5.370 125.205 119.914 -0.131 0.000 2.876 65 V HA 0.645 4.766 4.120 0.002 0.000 0.312 65 V C -0.858 175.179 176.094 -0.096 0.000 1.085 65 V CA -0.989 61.092 62.300 -0.364 0.000 0.945 65 V CB 1.724 33.241 31.823 -0.510 0.000 1.017 65 V HN 0.855 nan 8.190 nan 0.000 0.428 66 F N 1.943 121.756 119.950 -0.227 0.000 2.713 66 F HA 0.790 5.318 4.527 0.002 0.000 0.311 66 F C -1.198 174.495 175.800 -0.179 0.000 1.141 66 F CA -1.285 56.626 58.000 -0.149 0.000 0.939 66 F CB 1.158 40.103 39.000 -0.091 0.000 1.325 66 F HN 0.281 nan 8.300 nan 0.000 0.453 67 I N 1.230 121.858 120.570 0.097 0.000 2.488 67 I HA 0.353 4.524 4.170 0.002 0.000 0.299 67 I C -0.322 175.883 176.117 0.146 0.000 0.984 67 I CA -0.549 60.748 61.300 -0.005 0.000 1.250 67 I CB 1.681 39.701 38.000 0.034 0.000 1.389 67 I HN 0.687 nan 8.210 nan 0.000 0.488 68 E N 3.911 124.149 120.200 0.064 0.000 3.786 68 E HA 0.216 4.567 4.350 0.002 0.000 0.215 68 E C 0.843 177.484 176.600 0.068 0.000 1.188 68 E CA -0.076 56.383 56.400 0.099 0.000 1.248 68 E CB 1.022 30.788 29.700 0.111 0.000 1.260 68 E HN 1.028 nan 8.360 nan 0.000 0.426 69 G N 2.295 111.140 108.800 0.076 0.000 2.771 69 G HA2 -0.447 3.514 3.960 0.002 0.000 0.239 69 G HA3 -0.447 3.514 3.960 0.002 0.000 0.239 69 G C 0.963 175.926 174.900 0.105 0.000 1.087 69 G CA 1.722 46.869 45.100 0.078 0.000 0.712 69 G HN 0.549 nan 8.290 nan 0.000 0.541 70 D N -0.692 119.768 120.400 0.100 0.000 2.434 70 D HA 0.171 4.812 4.640 0.002 0.000 0.288 70 D C 0.196 176.588 176.300 0.153 0.000 1.083 70 D CA 0.473 54.538 54.000 0.109 0.000 0.903 70 D CB 0.536 41.367 40.800 0.052 0.000 1.476 70 D HN 0.322 nan 8.370 nan 0.000 0.502 71 D N 0.471 120.902 120.400 0.052 0.000 2.228 71 D HA 0.322 4.963 4.640 0.002 0.000 0.247 71 D C -0.828 175.276 176.300 -0.327 0.000 0.995 71 D CA -0.555 53.409 54.000 -0.060 0.000 0.903 71 D CB 2.363 43.132 40.800 -0.052 0.000 1.205 71 D HN 0.028 nan 8.370 nan 0.000 0.459 72 L N 1.620 122.524 121.223 -0.532 0.000 2.298 72 L HA 0.312 4.653 4.340 0.002 0.000 0.284 72 L C -1.130 175.446 176.870 -0.490 0.000 1.013 72 L CA -0.585 53.828 54.840 -0.712 0.000 0.824 72 L CB 1.507 42.975 42.059 -0.985 0.000 1.221 72 L HN 0.079 nan 8.230 nan 0.000 0.418 73 V N 5.714 125.167 119.914 -0.768 0.000 2.398 73 V HA 0.457 4.578 4.120 0.002 0.000 0.286 73 V C -0.446 175.176 176.094 -0.787 0.000 1.026 73 V CA -0.381 61.506 62.300 -0.688 0.000 0.868 73 V CB 1.106 32.362 31.823 -0.945 0.000 0.982 73 V HN 0.466 nan 8.190 nan 0.000 0.443 74 F N 3.402 123.112 119.950 -0.401 0.000 2.443 74 F HA 0.617 5.145 4.527 0.002 0.000 0.335 74 F C 0.519 176.084 175.800 -0.392 0.000 1.104 74 F CA -0.608 57.176 58.000 -0.360 0.000 1.013 74 F CB 1.467 40.329 39.000 -0.231 0.000 1.136 74 F HN 0.410 nan 8.300 nan 0.000 0.470 75 N N 0.944 119.393 118.700 -0.419 0.000 2.329 75 N HA 0.659 5.400 4.740 0.002 0.000 0.282 75 N C -0.681 174.601 175.510 -0.380 0.000 1.198 75 N CA -0.701 52.051 53.050 -0.497 0.000 0.790 75 N CB 2.213 40.203 38.487 -0.828 0.000 1.579 75 N HN 0.616 nan 8.380 nan 0.000 0.475 85 T N 4.072 118.619 114.554 -0.012 0.000 2.932 85 T HA 0.807 5.158 4.350 0.002 0.000 0.289 85 T C -0.447 174.305 174.700 0.087 0.000 1.039 85 T CA -0.969 61.126 62.100 -0.009 0.000 1.024 85 T CB 1.970 70.759 68.868 -0.131 0.000 1.090 85 T HN 0.670 nan 8.240 nan 0.000 0.496 86 R N 0.838 121.393 120.500 0.091 0.000 2.574 86 R HA 0.599 4.940 4.340 0.002 0.000 0.288 86 R C -2.071 174.371 176.300 0.235 0.000 1.004 86 R CA -0.781 55.398 56.100 0.131 0.000 0.895 86 R CB 1.531 31.862 30.300 0.052 0.000 1.191 86 R HN 0.742 nan 8.270 nan 0.000 0.444 87 F N 3.124 123.126 119.950 0.086 0.000 2.499 87 F HA 0.388 4.916 4.527 0.002 0.000 0.333 87 F C -0.531 175.358 175.800 0.149 0.000 1.138 87 F CA -0.572 57.503 58.000 0.124 0.000 0.945 87 F CB 1.836 40.977 39.000 0.234 0.000 1.181 87 F HN 0.480 nan 8.300 nan 0.000 0.435 88 S N 4.013 119.621 115.700 -0.153 0.000 2.646 88 S HA 0.575 5.045 4.470 0.002 0.000 0.276 88 S C 1.058 175.523 174.600 -0.225 0.000 1.222 88 S CA 0.037 58.179 58.200 -0.098 0.000 1.014 88 S CB 1.680 64.847 63.200 -0.054 0.000 0.991 88 S HN 0.908 nan 8.310 nan 0.000 0.533 89 A N 3.077 125.864 122.820 -0.055 0.000 2.019 89 A HA 0.139 4.460 4.320 0.002 0.000 0.219 89 A C 2.211 179.625 177.584 -0.283 0.000 1.164 89 A CA 1.836 53.704 52.037 -0.281 0.000 0.644 89 A CB -1.259 17.625 19.000 -0.193 0.000 0.805 89 A HN 1.173 nan 8.150 nan 0.000 0.449 90 A N 0.112 122.823 122.820 -0.183 0.000 1.930 90 A HA -0.040 4.281 4.320 0.002 0.000 0.215 90 A C 1.667 179.164 177.584 -0.144 0.000 1.176 90 A CA 1.502 53.456 52.037 -0.139 0.000 0.632 90 A CB -0.399 18.554 19.000 -0.079 0.000 0.819 90 A HN 0.439 nan 8.150 nan 0.000 0.445 91 D N 0.073 120.364 120.400 -0.182 0.000 2.104 91 D HA -0.166 4.474 4.640 0.002 0.000 0.194 91 D C 1.813 178.036 176.300 -0.128 0.000 0.994 91 D CA 1.433 55.365 54.000 -0.113 0.000 0.830 91 D CB -0.566 40.184 40.800 -0.082 0.000 0.959 91 D HN 0.374 nan 8.370 nan 0.000 0.452 92 L N 0.954 121.908 121.223 -0.447 0.000 2.027 92 L HA -0.074 4.267 4.340 0.002 0.000 0.206 92 L C 1.652 178.384 176.870 -0.230 0.000 1.074 92 L CA 1.646 56.271 54.840 -0.358 0.000 0.745 92 L CB -0.703 40.949 42.059 -0.678 0.000 0.898 92 L HN -0.069 nan 8.230 nan 0.000 0.433 93 N N -0.024 118.533 118.700 -0.237 0.000 2.205 93 N HA -0.173 4.568 4.740 0.002 0.000 0.186 93 N C 1.735 177.195 175.510 -0.083 0.000 1.015 93 N CA 1.346 54.299 53.050 -0.161 0.000 0.862 93 N CB -0.008 38.389 38.487 -0.150 0.000 0.986 93 N HN 0.552 nan 8.380 nan 0.000 0.429 94 A N 0.546 123.332 122.820 -0.055 0.000 2.019 94 A HA -0.048 4.273 4.320 0.002 0.000 0.219 94 A C 2.227 179.823 177.584 0.021 0.000 1.164 94 A CA 0.806 52.836 52.037 -0.011 0.000 0.644 94 A CB -0.344 18.659 19.000 0.005 0.000 0.805 94 A HN 0.294 nan 8.150 nan 0.000 0.449 95 L N -0.462 120.790 121.223 0.048 0.000 2.446 95 L HA 0.094 4.435 4.340 0.002 0.000 0.219 95 L C 0.608 177.531 176.870 0.089 0.000 1.116 95 L CA -0.371 54.535 54.840 0.111 0.000 0.844 95 L CB -0.265 41.949 42.059 0.258 0.000 0.970 95 L HN 0.303 nan 8.230 nan 0.000 0.457 96 M N 0.949 120.564 119.600 0.025 0.000 2.252 96 M HA 0.058 4.539 4.480 0.002 0.000 0.333 96 M C -0.920 175.387 176.300 0.013 0.000 1.111 96 M CA -1.035 54.272 55.300 0.011 0.000 1.140 96 M CB -0.206 32.371 32.600 -0.039 0.000 1.538 96 M HN -0.144 nan 8.290 nan 0.000 0.448 97 P HA 0.011 nan 4.420 nan 0.000 0.215 97 P C 0.258 177.558 177.300 -0.001 0.000 1.157 97 P CA 1.720 64.824 63.100 0.007 0.000 0.859 97 P CB 0.221 31.925 31.700 0.006 0.000 0.786 109 P HA 0.226 nan 4.420 nan 0.000 0.272 109 P C -0.618 176.750 177.300 0.113 0.000 1.254 109 P CA -0.237 62.792 63.100 -0.118 0.000 0.795 109 P CB 0.850 32.408 31.700 -0.236 0.000 1.022 110 S N -0.352 115.403 115.700 0.092 0.000 2.562 110 S HA 0.618 5.089 4.470 0.002 0.000 0.275 110 S C -0.277 174.475 174.600 0.253 0.000 1.281 110 S CA -0.390 57.859 58.200 0.083 0.000 1.045 110 S CB -0.383 62.812 63.200 -0.008 0.000 0.962 110 S HN 0.428 nan 8.310 nan 0.000 0.503 111 F N 0.781 120.843 119.950 0.187 0.000 2.662 111 F HA 0.705 5.233 4.527 0.002 0.000 0.312 111 F C -0.750 175.192 175.800 0.237 0.000 1.113 111 F CA -1.433 56.712 58.000 0.243 0.000 0.951 111 F CB 1.279 40.401 39.000 0.204 0.000 1.344 111 F HN 0.428 nan 8.300 nan 0.000 0.462 112 R N 1.090 121.902 120.500 0.520 0.000 2.437 112 R HA 0.528 4.869 4.340 0.002 0.000 0.310 112 R C -1.314 175.205 176.300 0.365 0.000 0.955 112 R CA -0.448 55.868 56.100 0.360 0.000 0.851 112 R CB 1.720 32.267 30.300 0.411 0.000 1.161 112 R HN 0.920 nan 8.270 nan 0.000 0.446 113 T N 5.914 120.671 114.554 0.338 0.000 2.814 113 T HA 0.175 4.526 4.350 0.002 0.000 0.297 113 T C 1.297 176.085 174.700 0.146 0.000 0.956 113 T CA -0.247 62.020 62.100 0.279 0.000 1.123 113 T CB 0.822 69.868 68.868 0.295 0.000 0.902 113 T HN 0.543 nan 8.240 nan 0.000 0.528 114 L N 1.616 122.879 121.223 0.067 0.000 2.316 114 L HA 0.298 4.639 4.340 0.002 0.000 0.207 114 L C 0.850 177.754 176.870 0.056 0.000 1.070 114 L CA 0.533 55.378 54.840 0.007 0.000 0.820 114 L CB 0.320 42.293 42.059 -0.144 0.000 0.992 114 L HN 0.534 nan 8.230 nan 0.000 0.466 115 D N -0.396 120.044 120.400 0.067 0.000 2.323 115 D HA 0.293 4.934 4.640 0.002 0.000 0.242 115 D C 0.442 176.799 176.300 0.095 0.000 1.347 115 D CA 0.034 54.079 54.000 0.075 0.000 0.988 115 D CB 1.932 42.760 40.800 0.047 0.000 1.314 115 D HN 0.022 nan 8.370 nan 0.000 0.564 116 A N 2.625 125.518 122.820 0.122 0.000 1.902 116 A HA 0.026 4.347 4.320 0.002 0.000 0.217 116 A C 2.016 179.679 177.584 0.131 0.000 1.181 116 A CA 1.914 54.043 52.037 0.153 0.000 0.623 116 A CB -0.612 18.501 19.000 0.188 0.000 0.818 116 A HN 0.577 nan 8.150 nan 0.000 0.443 117 G N -0.164 108.693 108.800 0.095 0.000 2.469 117 G HA2 -0.252 3.709 3.960 0.002 0.000 0.219 117 G HA3 -0.252 3.709 3.960 0.002 0.000 0.219 117 G C 1.633 176.567 174.900 0.057 0.000 1.150 117 G CA 0.940 46.079 45.100 0.065 0.000 0.763 117 G HN 0.600 nan 8.290 nan 0.000 0.561 118 R N 0.111 120.642 120.500 0.050 0.000 2.334 118 R HA 0.234 4.575 4.340 0.002 0.000 0.216 118 R C 1.530 177.848 176.300 0.029 0.000 0.905 118 R CA 0.439 56.555 56.100 0.026 0.000 1.064 118 R CB 0.209 30.515 30.300 0.011 0.000 1.046 118 R HN 0.366 nan 8.270 nan 0.000 0.508 119 G N 2.324 111.164 108.800 0.067 0.000 2.273 119 G HA2 -0.274 3.687 3.960 0.002 0.000 0.280 119 G HA3 -0.274 3.687 3.960 0.002 0.000 0.280 119 G C -0.084 174.843 174.900 0.045 0.000 1.047 119 G CA 0.072 45.222 45.100 0.082 0.000 0.869 119 G HN 0.200 nan 8.290 nan 0.000 0.502 120 L N -0.022 121.223 121.223 0.037 0.000 2.276 120 L HA 0.684 5.025 4.340 0.002 0.000 0.286 120 L C 0.875 177.765 176.870 0.033 0.000 1.061 120 L CA -0.907 53.944 54.840 0.017 0.000 0.807 120 L CB 1.478 43.541 42.059 0.006 0.000 1.177 120 L HN 0.292 nan 8.230 nan 0.000 0.429 121 V N 2.098 122.036 119.914 0.040 0.000 3.155 121 V HA 0.740 4.861 4.120 0.002 0.000 0.313 121 V C -0.957 175.151 176.094 0.023 0.000 1.162 121 V CA -0.784 61.556 62.300 0.067 0.000 1.048 121 V CB 2.339 34.188 31.823 0.042 0.000 1.092 121 V HN 0.397 nan 8.190 nan 0.000 0.447 122 V N 1.869 121.792 119.914 0.014 0.000 2.656 122 V HA 0.659 4.780 4.120 0.002 0.000 0.307 122 V C -0.907 175.214 176.094 0.045 0.000 1.051 122 V CA -0.598 61.653 62.300 -0.081 0.000 0.893 122 V CB 1.748 33.299 31.823 -0.453 0.000 0.999 122 V HN 0.880 nan 8.190 nan 0.000 0.426 123 L N 6.356 127.591 121.223 0.020 0.000 2.296 123 L HA 0.571 4.912 4.340 0.002 0.000 0.286 123 L C -1.055 175.804 176.870 -0.018 0.000 1.023 123 L CA -0.293 54.612 54.840 0.108 0.000 0.812 123 L CB 1.556 43.658 42.059 0.071 0.000 1.223 123 L HN 0.497 nan 8.230 nan 0.000 0.421 124 F N 1.513 121.521 119.950 0.097 0.000 2.404 124 F HA 0.461 4.989 4.527 0.002 0.000 0.358 124 F C 0.868 176.694 175.800 0.043 0.000 1.120 124 F CA -0.397 57.648 58.000 0.076 0.000 1.144 124 F CB 1.329 40.367 39.000 0.063 0.000 1.133 124 F HN 0.433 nan 8.300 nan 0.000 0.495 125 T N -0.370 114.272 114.554 0.148 0.000 2.887 125 T HA 0.691 5.042 4.350 0.002 0.000 0.292 125 T C -0.358 174.384 174.700 0.070 0.000 1.087 125 T CA -0.875 61.277 62.100 0.085 0.000 1.009 125 T CB 1.222 70.115 68.868 0.041 0.000 1.203 125 T HN 0.704 nan 8.240 nan 0.000 0.518 126 Q N -0.033 119.792 119.800 0.042 0.000 2.263 126 Q HA 0.464 4.805 4.340 0.002 0.000 0.289 126 Q C 1.264 177.279 176.000 0.024 0.000 1.061 126 Q CA 0.236 56.056 55.803 0.029 0.000 0.927 126 Q CB -1.208 27.539 28.738 0.014 0.000 1.154 126 Q HN 2.594 nan 8.270 nan 0.000 0.378 127 G N 1.203 110.016 108.800 0.022 0.000 2.351 127 G HA2 0.318 4.278 3.960 0.002 0.000 0.297 127 G HA3 0.318 4.278 3.960 0.002 0.000 0.297 127 G C 1.026 175.940 174.900 0.024 0.000 1.054 127 G CA 0.889 45.999 45.100 0.016 0.000 1.123 127 G HN 2.768 nan 8.290 nan 0.000 0.512 128 G N -1.454 107.364 108.800 0.031 0.000 2.655 128 G HA2 0.209 4.170 3.960 0.002 0.000 0.680 128 G HA3 0.209 4.170 3.960 0.002 0.000 0.680 128 G C -0.293 174.636 174.900 0.049 0.000 1.302 128 G CA -0.406 44.717 45.100 0.040 0.000 0.872 128 G HN 1.342 nan 8.290 nan 0.000 0.540 129 L N -0.628 120.644 121.223 0.082 0.000 2.322 129 L HA 0.692 5.033 4.340 0.002 0.000 0.279 129 L C 0.289 177.273 176.870 0.189 0.000 1.036 129 L CA -1.182 53.701 54.840 0.072 0.000 0.807 129 L CB 1.829 43.941 42.059 0.089 0.000 1.226 129 L HN 0.454 nan 8.230 nan 0.000 0.433 130 V N 1.742 121.733 119.914 0.128 0.000 2.407 130 V HA 0.471 4.592 4.120 0.002 0.000 0.291 130 V C 0.606 176.822 176.094 0.203 0.000 1.018 130 V CA -0.604 61.789 62.300 0.155 0.000 0.842 130 V CB 1.430 33.312 31.823 0.099 0.000 0.996 130 V HN 0.882 nan 8.190 nan 0.000 0.426 131 G N 3.194 112.170 108.800 0.293 0.000 2.467 131 G HA2 0.517 4.478 3.960 0.002 0.000 0.257 131 G HA3 0.517 4.478 3.960 0.002 0.000 0.257 131 G C -1.262 173.776 174.900 0.230 0.000 1.227 131 G CA 0.008 45.272 45.100 0.274 0.000 0.835 131 G HN 0.502 nan 8.290 nan 0.000 0.556 132 F N 1.191 121.146 119.950 0.009 0.000 2.574 132 F HA 0.319 4.847 4.527 0.002 0.000 0.313 132 F C -0.955 174.821 175.800 -0.041 0.000 1.130 132 F CA -1.184 56.805 58.000 -0.019 0.000 0.936 132 F CB 2.467 41.467 39.000 0.001 0.000 1.219 132 F HN 0.395 nan 8.300 nan 0.000 0.445 133 D N 6.369 126.380 120.400 -0.649 0.000 2.380 133 D HA 0.155 4.796 4.640 0.002 0.000 0.230 133 D C 0.829 176.881 176.300 -0.413 0.000 1.154 133 D CA -0.132 53.615 54.000 -0.421 0.000 0.859 133 D CB 1.024 41.578 40.800 -0.410 0.000 1.045 133 D HN 0.505 nan 8.370 nan 0.000 0.495 134 M N 3.416 122.990 119.600 -0.043 0.000 2.492 134 M HA -0.018 4.463 4.480 0.002 0.000 0.262 134 M C 1.641 177.869 176.300 -0.120 0.000 1.090 134 M CA 0.559 55.910 55.300 0.085 0.000 1.110 134 M CB -0.098 32.632 32.600 0.216 0.000 1.407 134 M HN 0.497 nan 8.290 nan 0.000 0.470 135 L N -0.978 120.159 121.223 -0.145 0.000 2.202 135 L HA 0.028 4.369 4.340 0.002 0.000 0.205 135 L C 2.447 179.155 176.870 -0.269 0.000 1.083 135 L CA 0.723 55.441 54.840 -0.204 0.000 0.790 135 L CB -0.645 41.350 42.059 -0.106 0.000 0.942 135 L HN 0.191 nan 8.230 nan 0.000 0.452 136 A N -0.598 122.059 122.820 -0.271 0.000 2.132 136 A HA 0.038 4.359 4.320 0.002 0.000 0.213 136 A C 1.003 178.390 177.584 -0.328 0.000 1.154 136 A CA -0.130 51.741 52.037 -0.276 0.000 0.753 136 A CB -0.015 18.830 19.000 -0.258 0.000 0.826 136 A HN 0.370 nan 8.150 nan 0.000 0.469 137 R N -0.600 119.648 120.500 -0.419 0.000 3.209 137 R HA -0.123 4.218 4.340 0.002 0.000 0.252 137 R C -1.197 174.877 176.300 -0.376 0.000 0.958 137 R CA 1.038 56.918 56.100 -0.367 0.000 0.651 137 R CB -1.889 28.200 30.300 -0.353 0.000 1.142 137 R HN 0.562 nan 8.270 nan 0.000 0.441 138 K N -0.031 119.833 120.400 -0.894 0.000 2.498 138 K HA 0.346 4.667 4.320 0.002 0.000 0.254 138 K C -0.069 175.981 176.600 -0.917 0.000 0.933 138 K CA -1.014 54.898 56.287 -0.625 0.000 0.806 138 K CB 2.632 34.909 32.500 -0.372 0.000 1.301 138 K HN -0.120 nan 8.250 nan 0.000 0.432 139 V N 2.569 122.281 119.914 -0.337 0.000 2.673 139 V HA -0.080 4.041 4.120 0.002 0.000 0.303 139 V C 1.635 177.564 176.094 -0.275 0.000 1.046 139 V CA 0.782 63.011 62.300 -0.118 0.000 1.126 139 V CB 0.876 32.735 31.823 0.059 0.000 0.934 139 V HN 1.075 nan 8.190 nan 0.000 0.487 140 T N 2.563 116.965 114.554 -0.254 0.000 2.967 140 T HA 0.179 4.530 4.350 0.002 0.000 0.238 140 T C 0.077 174.337 174.700 -0.733 0.000 1.024 140 T CA 0.373 62.193 62.100 -0.467 0.000 1.234 140 T CB 0.079 68.804 68.868 -0.239 0.000 0.931 140 T HN 0.402 nan 8.240 nan 0.000 0.417 141 Y N 0.131 120.345 120.300 -0.143 0.000 2.562 141 Y HA 0.648 5.199 4.550 0.002 0.000 0.345 141 Y C -0.711 174.949 175.900 -0.400 0.000 1.045 141 Y CA -1.513 56.375 58.100 -0.353 0.000 1.028 141 Y CB 1.779 39.842 38.460 -0.661 0.000 1.297 141 Y HN 0.150 nan 8.280 nan 0.000 0.463 142 L N 2.684 123.775 121.223 -0.220 0.000 2.307 142 L HA 0.524 4.865 4.340 0.002 0.000 0.282 142 L C -1.256 175.417 176.870 -0.329 0.000 1.051 142 L CA -0.401 54.343 54.840 -0.161 0.000 0.804 142 L CB 0.678 42.703 42.059 -0.056 0.000 1.197 142 L HN 0.462 nan 8.230 nan 0.000 0.431 143 F N 0.624 120.623 119.950 0.081 0.000 2.520 143 F HA 0.306 4.834 4.527 0.002 0.000 0.322 143 F C -0.044 175.750 175.800 -0.010 0.000 1.103 143 F CA -0.777 57.253 58.000 0.050 0.000 0.926 143 F CB 1.783 40.832 39.000 0.082 0.000 1.154 143 F HN 0.351 nan 8.300 nan 0.000 0.453 144 D N 1.213 121.699 120.400 0.143 0.000 2.441 144 D HA 0.232 4.873 4.640 0.002 0.000 0.231 144 D C 0.218 176.476 176.300 -0.069 0.000 1.073 144 D CA -0.383 53.634 54.000 0.028 0.000 0.850 144 D CB 1.092 41.902 40.800 0.016 0.000 1.062 144 D HN 0.566 nan 8.370 nan 0.000 0.524 145 T N 0.393 114.810 114.554 -0.229 0.000 3.248 145 T HA 0.187 4.538 4.350 0.002 0.000 0.271 145 T C 0.375 174.718 174.700 -0.595 0.000 1.005 145 T CA -0.645 61.042 62.100 -0.688 0.000 0.902 145 T CB -0.574 67.735 68.868 -0.932 0.000 1.102 145 T HN 0.493 nan 8.240 nan 0.000 0.548 146 N N 2.882 121.420 118.700 -0.269 0.000 2.716 146 N HA -0.197 4.544 4.740 0.002 0.000 0.250 146 N C 0.025 175.449 175.510 -0.144 0.000 1.033 146 N CA 1.127 54.077 53.050 -0.166 0.000 0.727 146 N CB -0.844 37.557 38.487 -0.143 0.000 0.950 146 N HN 0.806 nan 8.380 nan 0.000 0.541 147 E N -2.734 117.386 120.200 -0.132 0.000 3.916 147 E HA -0.266 4.085 4.350 0.002 0.000 0.331 147 E C 0.035 176.590 176.600 -0.075 0.000 0.729 147 E CA 1.174 57.530 56.400 -0.073 0.000 1.222 147 E CB -0.813 28.864 29.700 -0.038 0.000 1.633 147 E HN 0.591 nan 8.360 nan 0.000 0.437 148 E N 1.187 121.290 120.200 -0.161 0.000 2.324 148 E HA 0.117 4.468 4.350 0.002 0.000 0.271 148 E C 0.938 177.502 176.600 -0.060 0.000 1.028 148 E CA 1.200 57.538 56.400 -0.104 0.000 0.890 148 E CB 0.808 30.449 29.700 -0.100 0.000 1.004 148 E HN 0.250 nan 8.360 nan 0.000 0.431 149 T N 0.809 115.388 114.554 0.042 0.000 3.010 149 T HA 0.297 4.648 4.350 0.002 0.000 0.252 149 T C 1.624 176.403 174.700 0.133 0.000 0.963 149 T CA 0.298 62.481 62.100 0.139 0.000 0.952 149 T CB -0.197 68.791 68.868 0.199 0.000 1.182 149 T HN 0.301 nan 8.240 nan 0.000 0.495 150 A N 2.579 125.451 122.820 0.086 0.000 1.902 150 A HA 0.054 4.375 4.320 0.002 0.000 0.217 150 A C 2.424 180.066 177.584 0.096 0.000 1.181 150 A CA 2.012 54.096 52.037 0.078 0.000 0.623 150 A CB -0.884 18.151 19.000 0.059 0.000 0.818 150 A HN 0.799 nan 8.150 nan 0.000 0.443 151 S N -0.773 114.989 115.700 0.104 0.000 2.577 151 S HA 0.391 4.862 4.470 0.002 0.000 0.219 151 S C 0.309 174.970 174.600 0.101 0.000 0.962 151 S CA -0.539 57.721 58.200 0.101 0.000 0.921 151 S CB -0.621 62.643 63.200 0.108 0.000 0.789 151 S HN 0.338 nan 8.310 nan 0.000 0.497 152 L N 2.679 123.964 121.223 0.103 0.000 2.540 152 L HA 0.270 4.611 4.340 0.002 0.000 0.276 152 L C -0.068 176.830 176.870 0.046 0.000 1.212 152 L CA 0.236 55.088 54.840 0.020 0.000 0.893 152 L CB 0.068 42.144 42.059 0.028 0.000 1.138 152 L HN 0.232 nan 8.230 nan 0.000 0.491 153 D N 3.623 124.012 120.400 -0.020 0.000 2.479 153 D HA 0.294 4.935 4.640 0.002 0.000 0.246 153 D C -0.898 175.527 176.300 0.209 0.000 1.336 153 D CA -0.396 53.703 54.000 0.165 0.000 0.967 153 D CB 0.716 41.618 40.800 0.171 0.000 1.275 153 D HN 0.014 nan 8.370 nan 0.000 0.577 154 F N 1.551 121.565 119.950 0.106 0.000 2.399 154 F HA 0.254 4.782 4.527 0.002 0.000 0.342 154 F C 1.590 177.133 175.800 -0.428 0.000 1.106 154 F CA -0.329 57.601 58.000 -0.116 0.000 1.196 154 F CB 1.299 40.188 39.000 -0.185 0.000 1.163 154 F HN 0.153 nan 8.300 nan 0.000 0.547 155 S N 4.714 119.893 115.700 -0.869 0.000 2.558 155 S HA 0.049 4.520 4.470 0.002 0.000 0.288 155 S C -1.116 173.139 174.600 -0.575 0.000 1.318 155 S CA -1.151 56.114 58.200 -1.558 0.000 1.056 155 S CB 0.596 62.827 63.200 -1.616 0.000 0.853 155 S HN 0.469 nan 8.310 nan 0.000 0.505 156 P HA -0.059 nan 4.420 nan 0.000 0.225 156 P C 1.311 178.534 177.300 -0.128 0.000 1.148 156 P CA 0.694 63.704 63.100 -0.149 0.000 0.779 156 P CB -0.106 31.553 31.700 -0.069 0.000 0.780 157 V N -0.474 119.322 119.914 -0.197 0.000 2.809 157 V HA 0.018 4.139 4.120 0.002 0.000 0.256 157 V C 2.118 178.176 176.094 -0.059 0.000 1.080 157 V CA 1.801 64.030 62.300 -0.118 0.000 1.102 157 V CB -1.519 30.220 31.823 -0.139 0.000 0.705 157 V HN 0.354 nan 8.190 nan 0.000 0.475 158 G N 1.197 109.952 108.800 -0.075 0.000 2.175 158 G HA2 -0.251 3.710 3.960 0.002 0.000 0.244 158 G HA3 -0.251 3.710 3.960 0.002 0.000 0.244 158 G C 0.436 175.426 174.900 0.150 0.000 0.982 158 G CA 0.479 45.617 45.100 0.063 0.000 0.641 158 G HN 0.686 nan 8.290 nan 0.000 0.527 159 D N -0.632 119.721 120.400 -0.079 0.000 2.469 159 D HA 0.260 4.901 4.640 0.002 0.000 0.215 159 D C 0.834 177.056 176.300 -0.129 0.000 1.154 159 D CA -0.056 53.676 54.000 -0.447 0.000 0.832 159 D CB 0.318 40.726 40.800 -0.653 0.000 1.008 159 D HN 0.533 nan 8.370 nan 0.000 0.506 160 R N -0.601 119.908 120.500 0.014 0.000 2.740 160 R HA 0.688 5.029 4.340 0.002 0.000 0.273 160 R C -1.819 174.462 176.300 -0.032 0.000 0.998 160 R CA -1.032 55.107 56.100 0.065 0.000 0.900 160 R CB 3.153 33.439 30.300 -0.023 0.000 1.223 160 R HN -0.037 nan 8.270 nan 0.000 0.466 161 V N 1.007 120.930 119.914 0.015 0.000 2.808 161 V HA 0.786 4.907 4.120 0.002 0.000 0.308 161 V C -1.155 175.029 176.094 0.149 0.000 1.099 161 V CA -0.454 61.722 62.300 -0.207 0.000 0.920 161 V CB 1.852 33.016 31.823 -1.098 0.000 1.014 161 V HN 0.942 nan 8.190 nan 0.000 0.425 162 A N 6.094 129.060 122.820 0.243 0.000 2.304 162 A HA 0.981 5.302 4.320 0.002 0.000 0.301 162 A C -0.998 176.634 177.584 0.079 0.000 1.132 162 A CA -0.144 51.933 52.037 0.067 0.000 0.819 162 A CB 0.851 19.777 19.000 -0.124 0.000 1.094 162 A HN 1.828 nan 8.150 nan 0.000 0.492 163 Y N -1.797 118.469 120.300 -0.056 0.000 2.713 163 Y HA 0.630 5.181 4.550 0.002 0.000 0.335 163 Y C -1.410 174.504 175.900 0.023 0.000 1.222 163 Y CA -1.446 56.634 58.100 -0.034 0.000 1.061 163 Y CB 0.702 39.132 38.460 -0.050 0.000 1.314 163 Y HN 0.442 nan 8.280 nan 0.000 0.453 164 V N 2.645 122.644 119.914 0.142 0.000 2.495 164 V HA 0.692 4.813 4.120 0.002 0.000 0.298 164 V C -0.620 175.607 176.094 0.222 0.000 1.031 164 V CA -0.726 61.630 62.300 0.094 0.000 0.871 164 V CB 1.576 33.439 31.823 0.067 0.000 0.988 164 V HN 0.806 nan 8.190 nan 0.000 0.432 165 R N 3.908 124.547 120.500 0.232 0.000 2.533 165 R HA 0.383 4.724 4.340 0.002 0.000 0.288 165 R C -0.046 176.330 176.300 0.127 0.000 1.039 165 R CA -0.600 55.603 56.100 0.172 0.000 0.909 165 R CB 0.828 31.226 30.300 0.163 0.000 1.195 165 R HN 0.752 nan 8.270 nan 0.000 0.438 166 N N 3.485 122.176 118.700 -0.015 0.000 2.705 166 N HA -0.258 4.482 4.740 0.002 0.000 0.255 166 N C -0.622 174.882 175.510 -0.010 0.000 1.008 166 N CA 1.809 54.799 53.050 -0.101 0.000 0.742 166 N CB -0.796 37.703 38.487 0.020 0.000 0.906 166 N HN 0.992 nan 8.380 nan 0.000 0.541 167 H N -4.196 114.941 119.070 0.113 0.000 4.089 167 H HA -0.178 4.379 4.556 0.002 0.000 0.142 167 H C -0.177 175.219 175.328 0.114 0.000 0.778 167 H CA 1.350 57.462 56.048 0.106 0.000 1.258 167 H CB -1.367 28.451 29.762 0.092 0.000 0.810 167 H HN 0.543 nan 8.280 nan 0.000 0.487 168 N N 0.688 119.479 118.700 0.152 0.000 2.362 168 N HA 0.399 5.140 4.740 0.002 0.000 0.299 168 N C -0.337 175.023 175.510 -0.251 0.000 1.170 168 N CA -0.766 52.230 53.050 -0.090 0.000 0.825 168 N CB 2.404 40.744 38.487 -0.245 0.000 1.299 168 N HN 0.019 nan 8.380 nan 0.000 0.502 169 L N 1.925 122.807 121.223 -0.569 0.000 2.292 169 L HA 0.436 4.777 4.340 0.002 0.000 0.284 169 L C -1.395 174.899 176.870 -0.960 0.000 1.065 169 L CA -0.070 54.387 54.840 -0.638 0.000 0.806 169 L CB -0.068 41.551 42.059 -0.734 0.000 1.175 169 L HN 0.405 nan 8.230 nan 0.000 0.431 170 Y N 4.472 124.350 120.300 -0.704 0.000 2.570 170 Y HA 0.638 5.189 4.550 0.002 0.000 0.345 170 Y C -0.381 175.155 175.900 -0.606 0.000 1.014 170 Y CA -0.710 56.964 58.100 -0.709 0.000 1.063 170 Y CB 1.843 39.734 38.460 -0.948 0.000 1.272 170 Y HN 0.372 nan 8.280 nan 0.000 0.477 171 I N 2.155 122.610 120.570 -0.192 0.000 2.418 171 I HA 0.649 4.820 4.170 0.002 0.000 0.287 171 I C -0.632 175.571 176.117 0.144 0.000 1.008 171 I CA -0.823 60.477 61.300 -0.001 0.000 1.104 171 I CB 1.571 39.599 38.000 0.046 0.000 1.264 171 I HN 0.673 nan 8.210 nan 0.000 0.438 172 A N 6.558 129.533 122.820 0.259 0.000 2.317 172 A HA 0.707 5.027 4.320 0.002 0.000 0.327 172 A C -0.379 177.353 177.584 0.247 0.000 1.178 172 A CA -0.611 51.591 52.037 0.275 0.000 0.817 172 A CB 1.048 20.257 19.000 0.348 0.000 1.189 172 A HN 0.797 nan 8.150 nan 0.000 0.489 173 R N 1.893 122.496 120.500 0.173 0.000 2.407 173 R HA 0.502 4.843 4.340 0.002 0.000 0.303 173 R C 0.518 176.824 176.300 0.010 0.000 0.981 173 R CA -0.049 56.109 56.100 0.096 0.000 0.905 173 R CB 1.119 31.444 30.300 0.040 0.000 1.099 173 R HN 0.902 nan 8.270 nan 0.000 0.459 174 G N 1.263 109.947 108.800 -0.192 0.000 2.491 174 G HA2 0.344 4.305 3.960 0.002 0.000 0.242 174 G HA3 0.344 4.305 3.960 0.002 0.000 0.242 174 G C -0.387 174.361 174.900 -0.254 0.000 1.266 174 G CA -0.374 44.333 45.100 -0.654 0.000 0.844 174 G HN 0.680 nan 8.290 nan 0.000 0.571 175 G N 0.708 109.421 108.800 -0.145 0.000 2.417 175 G HA2 0.513 4.474 3.960 0.002 0.000 0.320 175 G HA3 0.513 4.474 3.960 0.002 0.000 0.320 175 G C -0.254 174.680 174.900 0.056 0.000 1.204 175 G CA -0.713 44.387 45.100 -0.001 0.000 0.923 175 G HN 0.577 nan 8.290 nan 0.000 0.466 176 K N 1.587 122.033 120.400 0.077 0.000 2.326 176 K HA 0.182 4.503 4.320 0.002 0.000 0.275 176 K C 0.763 177.331 176.600 -0.053 0.000 1.018 176 K CA -0.329 55.935 56.287 -0.038 0.000 0.962 176 K CB 1.028 33.502 32.500 -0.044 0.000 0.953 176 K HN 0.395 nan 8.250 nan 0.000 0.475 177 L N 2.955 124.128 121.223 -0.084 0.000 2.822 177 L HA -0.211 4.130 4.340 0.002 0.000 0.288 177 L C 1.104 177.952 176.870 -0.036 0.000 1.182 177 L CA 0.938 55.746 54.840 -0.054 0.000 0.936 177 L CB -0.537 41.488 42.059 -0.057 0.000 1.269 177 L HN 1.071 nan 8.230 nan 0.000 0.476 178 G N 3.339 112.125 108.800 -0.024 0.000 2.305 178 G HA2 -0.294 3.667 3.960 0.002 0.000 0.287 178 G HA3 -0.294 3.667 3.960 0.002 0.000 0.287 178 G C 0.487 175.378 174.900 -0.014 0.000 1.036 178 G CA 0.603 45.693 45.100 -0.017 0.000 0.887 178 G HN 0.846 nan 8.290 nan 0.000 0.505 179 E N -0.474 119.719 120.200 -0.012 0.000 2.624 179 E HA 0.440 4.791 4.350 0.002 0.000 0.210 179 E C 1.277 177.878 176.600 0.000 0.000 0.997 179 E CA -0.034 56.363 56.400 -0.005 0.000 0.999 179 E CB 0.653 30.352 29.700 -0.003 0.000 1.040 179 E HN 1.475 nan 8.360 nan 0.000 0.469 180 G N 1.804 110.603 108.800 -0.002 0.000 2.814 180 G HA2 -0.224 3.737 3.960 0.002 0.000 0.677 180 G HA3 -0.224 3.737 3.960 0.002 0.000 0.677 180 G C -0.339 174.563 174.900 0.003 0.000 1.429 180 G CA -0.629 44.472 45.100 0.001 0.000 0.868 180 G HN -0.018 nan 8.290 nan 0.000 0.553 181 M N -0.058 119.544 119.600 0.005 0.000 2.664 181 M HA 0.718 5.199 4.480 0.002 0.000 0.314 181 M C 0.380 176.689 176.300 0.015 0.000 1.200 181 M CA -0.809 54.495 55.300 0.007 0.000 0.916 181 M CB 1.838 34.441 32.600 0.006 0.000 1.717 181 M HN 0.735 nan 8.290 nan 0.000 0.470 182 S N 0.262 115.975 115.700 0.022 0.000 2.532 182 S HA 0.538 5.009 4.470 0.002 0.000 0.301 182 S C -0.492 174.135 174.600 0.044 0.000 1.083 182 S CA -0.731 57.489 58.200 0.032 0.000 1.025 182 S CB 1.840 65.062 63.200 0.035 0.000 1.056 182 S HN 0.623 nan 8.310 nan 0.000 0.494 183 R N 1.954 122.481 120.500 0.045 0.000 2.491 183 R HA 0.397 4.738 4.340 0.002 0.000 0.283 183 R C 0.287 176.634 176.300 0.078 0.000 1.072 183 R CA -0.153 55.979 56.100 0.054 0.000 1.048 183 R CB 0.358 30.686 30.300 0.047 0.000 0.983 183 R HN 0.739 nan 8.270 nan 0.000 0.450 184 A N 4.863 127.743 122.820 0.100 0.000 2.466 184 A HA 0.128 4.449 4.320 0.002 0.000 0.238 184 A C 0.298 177.965 177.584 0.139 0.000 1.074 184 A CA 0.012 52.135 52.037 0.144 0.000 0.774 184 A CB 0.196 19.315 19.000 0.199 0.000 1.015 184 A HN 0.741 nan 8.150 nan 0.000 0.498 185 I N 1.176 121.806 120.570 0.100 0.000 2.365 185 I HA 0.367 4.538 4.170 0.002 0.000 0.291 185 I C 0.815 176.882 176.117 -0.083 0.000 1.004 185 I CA -0.138 61.173 61.300 0.019 0.000 1.311 185 I CB 1.568 39.558 38.000 -0.016 0.000 1.401 185 I HN 0.694 nan 8.210 nan 0.000 0.491 186 A N 6.254 128.976 122.820 -0.162 0.000 2.310 186 A HA 0.335 4.656 4.320 0.002 0.000 0.300 186 A C 0.918 178.145 177.584 -0.596 0.000 1.269 186 A CA -0.427 51.283 52.037 -0.544 0.000 0.909 186 A CB 0.472 19.251 19.000 -0.369 0.000 1.144 186 A HN 0.662 nan 8.150 nan 0.000 0.540 187 V N 2.554 121.970 119.914 -0.830 0.000 2.453 187 V HA -0.048 4.073 4.120 0.002 0.000 0.247 187 V C 1.574 177.243 176.094 -0.707 0.000 1.048 187 V CA 2.236 64.004 62.300 -0.887 0.000 1.049 187 V CB -0.856 30.307 31.823 -1.099 0.000 0.672 187 V HN 0.987 nan 8.190 nan 0.000 0.457 188 T N -2.026 112.046 114.554 -0.804 0.000 2.916 188 T HA 0.660 5.011 4.350 0.002 0.000 0.292 188 T C 0.163 174.555 174.700 -0.513 0.000 1.055 188 T CA -0.185 61.477 62.100 -0.729 0.000 1.009 188 T CB 2.488 70.603 68.868 -1.255 0.000 1.118 188 T HN 0.224 nan 8.240 nan 0.000 0.497 189 I N -1.591 118.791 120.570 -0.313 0.000 4.655 189 I HA 0.400 4.571 4.170 0.002 0.000 0.333 189 I C 0.412 176.503 176.117 -0.044 0.000 1.312 189 I CA -0.369 60.837 61.300 -0.157 0.000 1.270 189 I CB 0.631 38.571 38.000 -0.099 0.000 1.318 189 I HN 0.585 nan 8.210 nan 0.000 0.456 190 D N 1.560 121.965 120.400 0.009 0.000 2.501 190 D HA 0.223 4.864 4.640 0.002 0.000 0.226 190 D C 0.937 177.354 176.300 0.195 0.000 1.198 190 D CA -0.198 53.861 54.000 0.099 0.000 0.830 190 D CB -0.085 40.774 40.800 0.097 0.000 1.014 190 D HN 0.263 nan 8.370 nan 0.000 0.496 191 G N -0.424 108.540 108.800 0.273 0.000 2.484 191 G HA2 0.378 4.339 3.960 0.002 0.000 0.235 191 G HA3 0.378 4.339 3.960 0.002 0.000 0.235 191 G C -0.245 174.669 174.900 0.024 0.000 1.282 191 G CA 0.330 45.607 45.100 0.295 0.000 0.857 191 G HN 0.272 nan 8.290 nan 0.000 0.571 192 T N -1.001 113.437 114.554 -0.193 0.000 2.693 192 T HA 0.213 4.564 4.350 0.002 0.000 0.304 192 T C 1.056 175.441 174.700 -0.526 0.000 1.471 192 T CA 0.096 61.904 62.100 -0.486 0.000 0.993 192 T CB 1.236 69.964 68.868 -0.233 0.000 1.554 192 T HN 0.660 nan 8.240 nan 0.000 0.496 193 E N -0.045 119.887 120.200 -0.447 0.000 2.097 193 E HA -0.177 4.174 4.350 0.002 0.000 0.196 193 E C 1.216 177.641 176.600 -0.291 0.000 1.000 193 E CA 2.290 58.573 56.400 -0.195 0.000 0.804 193 E CB -0.199 29.480 29.700 -0.036 0.000 0.740 193 E HN 0.676 nan 8.360 nan 0.000 0.454 194 T N -1.468 112.875 114.554 -0.352 0.000 3.122 194 T HA 0.234 4.585 4.350 0.002 0.000 0.250 194 T C 0.139 174.633 174.700 -0.343 0.000 1.067 194 T CA -0.430 61.376 62.100 -0.491 0.000 0.966 194 T CB 0.399 69.029 68.868 -0.398 0.000 1.002 194 T HN 0.036 nan 8.240 nan 0.000 0.542 195 L N 1.952 123.006 121.223 -0.282 0.000 2.471 195 L HA 0.579 4.920 4.340 0.002 0.000 0.263 195 L C -1.242 175.443 176.870 -0.308 0.000 0.985 195 L CA -0.901 53.760 54.840 -0.298 0.000 0.868 195 L CB 1.753 43.661 42.059 -0.252 0.000 1.203 195 L HN 0.016 nan 8.230 nan 0.000 0.429 196 V N 5.093 124.823 119.914 -0.307 0.000 2.398 196 V HA 0.463 4.584 4.120 0.002 0.000 0.286 196 V C -0.679 175.299 176.094 -0.194 0.000 1.026 196 V CA -0.503 61.703 62.300 -0.157 0.000 0.868 196 V CB 1.215 32.988 31.823 -0.083 0.000 0.982 196 V HN 0.519 nan 8.190 nan 0.000 0.443 197 Y N 1.560 121.902 120.300 0.070 0.000 2.393 197 Y HA 0.616 5.167 4.550 0.002 0.000 0.341 197 Y C 1.202 177.136 175.900 0.057 0.000 0.988 197 Y CA 0.180 58.331 58.100 0.084 0.000 1.078 197 Y CB 2.142 40.578 38.460 -0.041 0.000 1.203 197 Y HN 0.844 nan 8.280 nan 0.000 0.453 198 G N 1.709 110.699 108.800 0.315 0.000 2.153 198 G HA2 -0.210 3.751 3.960 0.002 0.000 0.252 198 G HA3 -0.210 3.751 3.960 0.002 0.000 0.252 198 G C -0.265 174.719 174.900 0.139 0.000 0.994 198 G CA -0.185 45.016 45.100 0.169 0.000 0.698 198 G HN 0.471 nan 8.290 nan 0.000 0.521 199 Q N -0.642 119.272 119.800 0.190 0.000 2.378 199 Q HA 0.729 5.070 4.340 0.002 0.000 0.276 199 Q C 0.471 176.596 176.000 0.209 0.000 1.083 199 Q CA -0.344 55.550 55.803 0.152 0.000 0.856 199 Q CB 1.769 30.571 28.738 0.108 0.000 1.383 199 Q HN 0.849 nan 8.270 nan 0.000 0.458 200 A N 0.876 123.796 122.820 0.166 0.000 2.561 200 A HA 0.308 4.629 4.320 0.002 0.000 0.234 200 A C 0.371 177.953 177.584 -0.004 0.000 1.055 200 A CA 0.018 52.148 52.037 0.156 0.000 0.756 200 A CB -0.138 18.944 19.000 0.137 0.000 0.986 200 A HN 0.518 nan 8.150 nan 0.000 0.505 201 V N -1.365 118.449 119.914 -0.166 0.000 3.164 201 V HA 0.689 4.810 4.120 0.002 0.000 0.313 201 V C 0.383 176.371 176.094 -0.176 0.000 1.188 201 V CA -0.542 61.506 62.300 -0.420 0.000 1.058 201 V CB 1.086 32.313 31.823 -0.994 0.000 1.110 201 V HN 1.153 nan 8.190 nan 0.000 0.453 202 H N 0.419 119.534 119.070 0.075 0.000 2.791 202 H HA -0.136 4.421 4.556 0.002 0.000 0.302 202 H C 0.708 176.108 175.328 0.120 0.000 1.198 202 H CA 0.993 57.217 56.048 0.293 0.000 1.145 202 H CB -1.800 28.134 29.762 0.287 0.000 1.385 202 H HN 0.951 nan 8.280 nan 0.000 0.409 203 Q N -0.903 119.019 119.800 0.204 0.000 2.461 203 Q HA -0.282 4.059 4.340 0.002 0.000 0.273 203 Q C 0.754 176.799 176.000 0.076 0.000 1.163 203 Q CA 1.413 57.271 55.803 0.091 0.000 0.929 203 Q CB -1.273 27.466 28.738 0.002 0.000 1.334 203 Q HN 0.872 nan 8.270 nan 0.000 0.499 204 R N -1.337 119.223 120.500 0.101 0.000 3.875 204 R HA -0.177 4.164 4.340 0.002 0.000 0.321 204 R C 0.134 176.464 176.300 0.050 0.000 1.196 204 R CA 1.334 57.495 56.100 0.100 0.000 0.868 204 R CB -0.879 29.476 30.300 0.092 0.000 1.333 204 R HN 0.332 nan 8.270 nan 0.000 0.522 205 E N 0.297 120.479 120.200 -0.031 0.000 2.376 205 E HA 0.127 4.478 4.350 0.002 0.000 0.254 205 E C 0.802 177.287 176.600 -0.192 0.000 1.213 205 E CA -0.240 55.964 56.400 -0.327 0.000 0.945 205 E CB 0.068 29.264 29.700 -0.841 0.000 1.057 205 E HN 0.173 nan 8.360 nan 0.000 0.479 206 F N -0.610 119.360 119.950 0.033 0.000 3.057 206 F HA -0.245 4.283 4.527 0.002 0.000 0.287 206 F C 1.192 177.027 175.800 0.058 0.000 0.834 206 F CA 0.515 58.543 58.000 0.047 0.000 1.147 206 F CB -2.105 36.939 39.000 0.073 0.000 1.245 206 F HN 0.716 nan 8.300 nan 0.000 0.509 207 G N 0.002 108.871 108.800 0.115 0.000 2.155 207 G HA2 -0.347 3.614 3.960 0.002 0.000 0.257 207 G HA3 -0.347 3.614 3.960 0.002 0.000 0.257 207 G C 0.139 175.157 174.900 0.196 0.000 0.983 207 G CA 0.081 45.236 45.100 0.093 0.000 0.676 207 G HN 0.553 nan 8.290 nan 0.000 0.528 208 I N 0.676 121.397 120.570 0.251 0.000 2.379 208 I HA 0.268 4.439 4.170 0.002 0.000 0.290 208 I C 1.192 177.463 176.117 0.256 0.000 1.063 208 I CA 0.176 61.674 61.300 0.330 0.000 1.351 208 I CB 0.914 39.136 38.000 0.370 0.000 1.410 208 I HN 0.225 nan 8.210 nan 0.000 0.505 209 E N 5.822 126.183 120.200 0.268 0.000 2.541 209 E HA 0.116 4.466 4.350 0.002 0.000 0.219 209 E C -0.241 176.464 176.600 0.175 0.000 0.922 209 E CA -0.030 56.486 56.400 0.193 0.000 1.095 209 E CB 0.706 30.510 29.700 0.172 0.000 1.112 209 E HN 0.610 nan 8.360 nan 0.000 0.516 210 K N -1.719 118.808 120.400 0.210 0.000 2.507 210 K HA 0.576 4.897 4.320 0.002 0.000 0.284 210 K C -0.046 176.644 176.600 0.150 0.000 1.038 210 K CA -0.879 55.469 56.287 0.101 0.000 0.903 210 K CB 1.176 33.657 32.500 -0.033 0.000 1.531 210 K HN -0.051 nan 8.250 nan 0.000 0.430 211 G N 0.463 109.273 108.800 0.017 0.000 3.839 211 G HA2 0.209 4.170 3.960 0.002 0.000 0.286 211 G HA3 0.209 4.170 3.960 0.002 0.000 0.286 211 G C -0.634 174.169 174.900 -0.162 0.000 1.005 211 G CA 0.056 45.259 45.100 0.172 0.000 0.824 211 G HN 0.726 nan 8.290 nan 0.000 0.489 212 T N -1.586 112.581 114.554 -0.646 0.000 2.861 212 T HA 0.744 5.095 4.350 0.002 0.000 0.287 212 T C -1.238 172.875 174.700 -0.978 0.000 1.003 212 T CA -0.856 60.920 62.100 -0.538 0.000 0.977 212 T CB 1.901 70.572 68.868 -0.328 0.000 0.996 212 T HN -0.009 nan 8.240 nan 0.000 0.448 213 F N 1.036 120.983 119.950 -0.005 0.000 2.828 213 F HA 0.417 4.945 4.527 0.002 0.000 0.355 213 F C -0.706 175.238 175.800 0.240 0.000 1.200 213 F CA -1.344 56.764 58.000 0.182 0.000 1.062 213 F CB 0.939 40.062 39.000 0.204 0.000 1.351 213 F HN 0.618 nan 8.300 nan 0.000 0.504 214 W N 2.430 123.854 121.300 0.206 0.000 2.190 214 W HA 0.381 5.042 4.660 0.002 0.000 0.330 214 W C 0.848 177.140 176.519 -0.378 0.000 1.299 214 W CA -0.171 57.161 57.345 -0.022 0.000 1.215 214 W CB 0.931 30.374 29.460 -0.029 0.000 1.147 214 W HN 0.512 nan 8.180 nan 0.000 0.563 215 S N 3.621 118.901 115.700 -0.699 0.000 2.579 215 S HA 0.095 4.566 4.470 0.002 0.000 0.275 215 S C -1.334 173.009 174.600 -0.428 0.000 1.345 215 S CA -1.022 56.351 58.200 -1.379 0.000 1.031 215 S CB 1.046 63.255 63.200 -1.652 0.000 0.892 215 S HN 0.426 nan 8.310 nan 0.000 0.529 216 P HA -0.042 nan 4.420 nan 0.000 0.225 216 P C 0.338 177.596 177.300 -0.070 0.000 1.148 216 P CA 1.095 64.154 63.100 -0.069 0.000 0.779 216 P CB -0.007 31.698 31.700 0.009 0.000 0.780 217 K N -1.133 119.202 120.400 -0.108 0.000 2.373 217 K HA 0.330 4.651 4.320 0.002 0.000 0.202 217 K C 1.092 177.643 176.600 -0.082 0.000 1.025 217 K CA 0.457 56.699 56.287 -0.075 0.000 1.115 217 K CB 0.072 32.540 32.500 -0.055 0.000 0.858 217 K HN 0.050 nan 8.250 nan 0.000 0.525 218 G N 1.339 110.086 108.800 -0.088 0.000 2.148 218 G HA2 -0.297 3.664 3.960 0.002 0.000 0.254 218 G HA3 -0.297 3.664 3.960 0.002 0.000 0.254 218 G C 0.842 175.788 174.900 0.075 0.000 0.981 218 G CA 0.683 45.766 45.100 -0.029 0.000 0.670 218 G HN 0.315 nan 8.290 nan 0.000 0.528 219 S N -1.353 114.334 115.700 -0.020 0.000 2.461 219 S HA 0.222 4.693 4.470 0.002 0.000 0.228 219 S C 1.016 175.605 174.600 -0.018 0.000 1.005 219 S CA 1.001 59.197 58.200 -0.007 0.000 0.942 219 S CB 0.287 63.465 63.200 -0.037 0.000 0.776 219 S HN 0.837 nan 8.310 nan 0.000 0.514 220 C N 0.822 120.060 119.300 -0.104 0.000 2.994 220 C HA 0.736 5.197 4.460 0.002 0.000 0.305 220 C C -0.888 174.033 174.990 -0.116 0.000 1.251 220 C CA -1.152 57.759 59.018 -0.179 0.000 1.478 220 C CB 1.468 29.005 27.740 -0.339 0.000 1.922 220 C HN 0.403 nan 8.230 nan 0.000 0.472 221 L N 2.576 123.743 121.223 -0.094 0.000 2.342 221 L HA 0.777 5.118 4.340 0.002 0.000 0.276 221 L C 0.177 177.115 176.870 0.114 0.000 0.997 221 L CA 0.040 54.739 54.840 -0.234 0.000 0.838 221 L CB 0.813 42.511 42.059 -0.602 0.000 1.224 221 L HN 0.912 nan 8.230 nan 0.000 0.416 222 A N 4.489 127.476 122.820 0.279 0.000 2.286 222 A HA 0.815 5.136 4.320 0.002 0.000 0.286 222 A C -0.858 176.834 177.584 0.180 0.000 1.097 222 A CA -0.183 51.942 52.037 0.146 0.000 0.821 222 A CB 0.310 19.381 19.000 0.118 0.000 1.076 222 A HN 0.851 nan 8.150 nan 0.000 0.490 223 F N -1.913 118.035 119.950 -0.004 0.000 2.703 223 F HA 0.601 5.129 4.527 0.002 0.000 0.308 223 F C -1.387 174.449 175.800 0.061 0.000 1.126 223 F CA -1.495 56.513 58.000 0.013 0.000 0.959 223 F CB 0.648 39.624 39.000 -0.040 0.000 1.297 223 F HN 0.520 nan 8.300 nan 0.000 0.441 224 Y N 1.480 121.993 120.300 0.355 0.000 2.304 224 Y HA 0.529 5.080 4.550 0.002 0.000 0.327 224 Y C 0.454 176.562 175.900 0.347 0.000 1.209 224 Y CA -0.708 57.526 58.100 0.223 0.000 1.299 224 Y CB 1.293 39.848 38.460 0.158 0.000 1.249 224 Y HN 0.667 nan 8.280 nan 0.000 0.519 225 R N 4.610 125.355 120.500 0.407 0.000 2.409 225 R HA 0.422 4.763 4.340 0.002 0.000 0.313 225 R C -1.571 174.720 176.300 -0.015 0.000 0.953 225 R CA -0.669 55.539 56.100 0.180 0.000 0.849 225 R CB 0.944 31.457 30.300 0.355 0.000 1.171 225 R HN 0.849 nan 8.270 nan 0.000 0.458 226 M N 4.722 124.224 119.600 -0.164 0.000 2.044 226 M HA 0.209 4.690 4.480 0.002 0.000 0.333 226 M C -1.222 174.954 176.300 -0.207 0.000 1.004 226 M CA -0.619 54.562 55.300 -0.199 0.000 0.954 226 M CB 1.135 33.547 32.600 -0.312 0.000 1.468 226 M HN 0.477 nan 8.290 nan 0.000 0.414 227 D N 4.435 124.755 120.400 -0.132 0.000 2.339 227 D HA 0.080 4.721 4.640 0.002 0.000 0.241 227 D C 0.009 176.224 176.300 -0.142 0.000 1.183 227 D CA 0.113 54.023 54.000 -0.150 0.000 0.859 227 D CB 0.960 41.701 40.800 -0.098 0.000 1.067 227 D HN 0.767 nan 8.370 nan 0.000 0.484 228 Q N 1.748 121.427 119.800 -0.200 0.000 2.175 228 Q HA 0.095 4.436 4.340 0.002 0.000 0.225 228 Q C 0.654 176.523 176.000 -0.217 0.000 0.837 228 Q CA -0.330 55.378 55.803 -0.159 0.000 1.032 228 Q CB 0.134 28.783 28.738 -0.148 0.000 1.137 228 Q HN 0.323 nan 8.270 nan 0.000 0.483 229 S N 0.989 116.564 115.700 -0.209 0.000 2.474 229 S HA -0.104 4.367 4.470 0.002 0.000 0.235 229 S C 1.854 176.418 174.600 -0.061 0.000 0.997 229 S CA 0.612 58.724 58.200 -0.147 0.000 0.949 229 S CB -0.220 62.903 63.200 -0.129 0.000 0.766 229 S HN 0.598 nan 8.310 nan 0.000 0.517 230 M N 0.677 120.220 119.600 -0.095 0.000 2.495 230 M HA 0.372 4.853 4.480 0.002 0.000 0.237 230 M C -0.145 176.160 176.300 0.008 0.000 1.131 230 M CA 0.070 55.331 55.300 -0.065 0.000 1.032 230 M CB -0.961 31.544 32.600 -0.158 0.000 1.513 230 M HN 0.010 nan 8.290 nan 0.000 0.488 231 V N 2.790 122.752 119.914 0.081 0.000 2.432 231 V HA 0.256 4.377 4.120 0.002 0.000 0.275 231 V C 0.256 176.471 176.094 0.202 0.000 1.043 231 V CA -0.619 61.773 62.300 0.154 0.000 0.925 231 V CB 1.199 33.165 31.823 0.238 0.000 0.985 231 V HN 0.349 nan 8.190 nan 0.000 0.466 232 K N 7.695 128.156 120.400 0.101 0.000 2.316 232 K HA 0.316 4.637 4.320 0.002 0.000 0.289 232 K C -2.213 174.377 176.600 -0.017 0.000 1.070 232 K CA -1.274 55.039 56.287 0.044 0.000 0.928 232 K CB 0.817 33.330 32.500 0.023 0.000 1.039 232 K HN 0.464 nan 8.250 nan 0.000 0.480 233 P HA 0.158 nan 4.420 nan 0.000 0.278 233 P C -0.897 176.300 177.300 -0.173 0.000 1.266 233 P CA -0.516 62.383 63.100 -0.336 0.000 0.807 233 P CB 1.168 32.366 31.700 -0.837 0.000 1.094 234 T N 2.065 116.534 114.554 -0.141 0.000 2.823 234 T HA 0.437 4.788 4.350 0.002 0.000 0.279 234 T C -2.475 172.172 174.700 -0.088 0.000 0.998 234 T CA -1.454 60.592 62.100 -0.090 0.000 0.994 234 T CB 0.946 69.768 68.868 -0.076 0.000 0.960 234 T HN 0.335 nan 8.240 nan 0.000 0.448 235 P HA 0.294 nan 4.420 nan 0.000 0.276 235 P C -0.860 176.447 177.300 0.012 0.000 1.243 235 P CA -0.403 62.676 63.100 -0.035 0.000 0.768 235 P CB 0.440 32.124 31.700 -0.027 0.000 0.856 236 I N 4.505 125.081 120.570 0.009 0.000 2.355 236 I HA 0.213 4.384 4.170 0.002 0.000 0.288 236 I C 0.016 176.133 176.117 0.000 0.000 0.999 236 I CA -0.788 60.535 61.300 0.039 0.000 1.163 236 I CB 1.673 39.694 38.000 0.034 0.000 1.316 236 I HN 0.033 nan 8.210 nan 0.000 0.454 237 V N 5.496 125.409 119.914 -0.000 0.000 2.398 237 V HA 0.244 4.365 4.120 0.002 0.000 0.286 237 V C -0.022 175.900 176.094 -0.288 0.000 1.026 237 V CA -0.689 61.489 62.300 -0.204 0.000 0.868 237 V CB 2.008 33.622 31.823 -0.348 0.000 0.982 237 V HN 0.597 nan 8.190 nan 0.000 0.443 238 D N 3.052 123.288 120.400 -0.273 0.000 2.347 238 D HA 0.222 4.863 4.640 0.002 0.000 0.235 238 D C 0.156 176.259 176.300 -0.327 0.000 1.149 238 D CA -0.072 53.822 54.000 -0.177 0.000 0.850 238 D CB 0.875 41.643 40.800 -0.053 0.000 1.061 238 D HN 0.512 nan 8.370 nan 0.000 0.487 239 Y N 2.103 122.308 120.300 -0.158 0.000 2.490 239 Y HA 0.020 4.571 4.550 0.002 0.000 0.281 239 Y C 1.923 177.680 175.900 -0.237 0.000 1.174 239 Y CA 0.174 58.156 58.100 -0.197 0.000 1.295 239 Y CB 0.275 38.601 38.460 -0.224 0.000 1.062 239 Y HN 0.587 nan 8.280 nan 0.000 0.522 240 H N -0.892 118.228 119.070 0.083 0.000 2.448 240 H HA 0.098 4.655 4.556 0.002 0.000 0.292 240 H C -1.277 174.073 175.328 0.036 0.000 1.035 240 H CA 0.319 56.401 56.048 0.057 0.000 1.349 240 H CB -1.346 28.435 29.762 0.031 0.000 1.425 240 H HN 0.242 nan 8.280 nan 0.000 0.539 241 P HA -0.070 nan 4.420 nan 0.000 0.271 241 P C 1.284 178.616 177.300 0.055 0.000 1.233 241 P CA -0.138 63.002 63.100 0.067 0.000 0.789 241 P CB 0.930 32.649 31.700 0.032 0.000 0.951 242 L N 0.803 122.053 121.223 0.045 0.000 1.991 242 L HA -0.200 4.141 4.340 0.002 0.000 0.221 242 L C 0.347 177.239 176.870 0.037 0.000 1.079 242 L CA 2.094 56.958 54.840 0.040 0.000 0.778 242 L CB -0.827 41.250 42.059 0.031 0.000 0.893 242 L HN 0.407 nan 8.230 nan 0.000 0.437 243 E N 0.055 120.270 120.200 0.024 0.000 2.197 243 E HA 0.540 4.891 4.350 0.002 0.000 0.281 243 E C -0.005 176.591 176.600 -0.007 0.000 0.995 243 E CA 0.161 56.571 56.400 0.016 0.000 0.808 243 E CB 1.127 30.832 29.700 0.009 0.000 1.093 243 E HN 0.416 nan 8.360 nan 0.000 0.394 244 A N 3.454 126.260 122.820 -0.023 0.000 2.483 244 A HA 0.137 4.458 4.320 0.002 0.000 0.238 244 A C -0.164 177.337 177.584 -0.138 0.000 1.070 244 A CA 0.030 51.987 52.037 -0.133 0.000 0.770 244 A CB 0.226 19.074 19.000 -0.254 0.000 1.008 244 A HN 0.657 nan 8.150 nan 0.000 0.497 245 E N 0.783 120.882 120.200 -0.168 0.000 2.199 245 E HA 0.432 4.783 4.350 0.002 0.000 0.265 245 E C -0.928 175.599 176.600 -0.123 0.000 0.882 245 E CA -0.424 55.913 56.400 -0.104 0.000 0.759 245 E CB 1.912 31.579 29.700 -0.054 0.000 1.148 245 E HN 0.526 nan 8.360 nan 0.000 0.412 246 S N 2.765 118.413 115.700 -0.086 0.000 2.565 246 S HA 0.409 4.880 4.470 0.002 0.000 0.290 246 S C -0.792 173.789 174.600 -0.032 0.000 1.150 246 S CA -0.620 57.537 58.200 -0.070 0.000 1.058 246 S CB 0.725 63.891 63.200 -0.057 0.000 1.032 246 S HN 0.448 nan 8.310 nan 0.000 0.510 247 K N 3.532 123.920 120.400 -0.019 0.000 2.427 247 K HA 0.557 4.878 4.320 0.002 0.000 0.252 247 K C -2.875 173.718 176.600 -0.012 0.000 0.931 247 K CA -2.337 53.956 56.287 0.009 0.000 0.793 247 K CB 1.743 34.263 32.500 0.033 0.000 1.211 247 K HN 0.368 nan 8.250 nan 0.000 0.426 248 P HA 0.093 nan 4.420 nan 0.000 0.276 248 P C -1.103 176.107 177.300 -0.149 0.000 1.230 248 P CA -0.540 62.460 63.100 -0.166 0.000 0.776 248 P CB 0.809 32.335 31.700 -0.289 0.000 0.888 249 L N 4.965 126.088 121.223 -0.166 0.000 2.280 249 L HA 0.352 4.693 4.340 0.002 0.000 0.287 249 L C -0.678 176.138 176.870 -0.090 0.000 1.023 249 L CA -0.737 54.087 54.840 -0.026 0.000 0.819 249 L CB 0.321 42.403 42.059 0.038 0.000 1.212 249 L HN 0.192 nan 8.230 nan 0.000 0.420 250 Y N 5.491 125.865 120.300 0.124 0.000 2.623 250 Y HA 0.120 4.671 4.550 0.002 0.000 0.341 250 Y C -0.644 175.358 175.900 0.170 0.000 1.292 250 Y CA 0.184 58.359 58.100 0.125 0.000 1.840 250 Y CB -0.632 37.882 38.460 0.089 0.000 1.865 250 Y HN 0.520 nan 8.280 nan 0.000 0.440 251 Y N 4.670 125.021 120.300 0.085 0.000 2.434 251 Y HA 0.430 4.981 4.550 0.002 0.000 0.341 251 Y C -2.587 173.346 175.900 0.055 0.000 0.965 251 Y CA -3.438 54.701 58.100 0.064 0.000 1.205 251 Y CB 0.882 39.346 38.460 0.007 0.000 1.121 251 Y HN 0.224 nan 8.280 nan 0.000 0.507 252 P HA 0.195 nan 4.420 nan 0.000 0.287 252 P C -0.656 176.594 177.300 -0.083 0.000 1.307 252 P CA 0.099 63.167 63.100 -0.052 0.000 0.777 252 P CB 0.657 32.300 31.700 -0.095 0.000 0.883 253 M N 2.152 121.791 119.600 0.065 0.000 2.255 253 M HA 0.404 4.885 4.480 0.002 0.000 0.336 253 M C 0.836 177.207 176.300 0.119 0.000 1.135 253 M CA -0.688 54.692 55.300 0.133 0.000 1.145 253 M CB 0.826 33.531 32.600 0.175 0.000 1.473 253 M HN 0.321 nan 8.290 nan 0.000 0.462 254 A N 1.667 124.605 122.820 0.197 0.000 2.598 254 A HA 0.310 4.631 4.320 0.002 0.000 0.239 254 A C 1.294 178.929 177.584 0.086 0.000 1.032 254 A CA 0.917 53.075 52.037 0.201 0.000 0.760 254 A CB -0.984 18.233 19.000 0.362 0.000 0.946 254 A HN 1.267 nan 8.150 nan 0.000 0.512 255 G N 1.614 110.446 108.800 0.055 0.000 2.212 255 G HA2 -0.215 3.746 3.960 0.002 0.000 0.266 255 G HA3 -0.215 3.746 3.960 0.002 0.000 0.266 255 G C 0.692 175.596 174.900 0.007 0.000 0.978 255 G CA 1.460 46.558 45.100 -0.003 0.000 0.632 255 G HN 2.262 nan 8.290 nan 0.000 0.537 256 T N -1.431 113.139 114.554 0.027 0.000 2.862 256 T HA 0.651 5.002 4.350 0.002 0.000 0.276 256 T C -2.554 172.159 174.700 0.021 0.000 0.974 256 T CA -1.524 60.589 62.100 0.021 0.000 0.966 256 T CB 1.976 70.862 68.868 0.030 0.000 1.072 256 T HN 0.018 nan 8.240 nan 0.000 0.538 257 P HA 0.223 nan 4.420 nan 0.000 0.263 257 P C -0.334 176.972 177.300 0.009 0.000 1.195 257 P CA 0.036 63.148 63.100 0.019 0.000 0.762 257 P CB 0.512 32.219 31.700 0.011 0.000 0.799 258 S N 2.484 118.194 115.700 0.016 0.000 2.645 258 S HA 0.184 4.655 4.470 0.002 0.000 0.266 258 S C 0.265 174.863 174.600 -0.004 0.000 1.258 258 S CA -0.661 57.514 58.200 -0.042 0.000 0.990 258 S CB 0.132 63.327 63.200 -0.008 0.000 0.967 258 S HN 0.516 nan 8.310 nan 0.000 0.556 259 H N 0.393 119.541 119.070 0.130 0.000 2.660 259 H HA 0.267 4.824 4.556 0.002 0.000 0.374 259 H C -0.660 174.806 175.328 0.229 0.000 1.291 259 H CA -0.317 55.767 56.048 0.061 0.000 1.437 259 H CB 0.087 29.883 29.762 0.056 0.000 1.509 259 H HN 0.676 nan 8.280 nan 0.000 0.614 260 H N 0.331 119.525 119.070 0.206 0.000 2.638 260 H HA 0.333 4.890 4.556 0.002 0.000 0.317 260 H C -0.758 174.607 175.328 0.062 0.000 1.006 260 H CA -0.921 55.192 56.048 0.109 0.000 1.222 260 H CB 1.594 31.370 29.762 0.024 0.000 1.419 260 H HN 0.216 nan 8.280 nan 0.000 0.489 261 V N 3.792 123.833 119.914 0.211 0.000 2.472 261 V HA 0.278 4.399 4.120 0.002 0.000 0.290 261 V C 0.472 176.621 176.094 0.092 0.000 1.037 261 V CA -0.467 61.873 62.300 0.066 0.000 0.908 261 V CB 1.648 33.417 31.823 -0.090 0.000 0.985 261 V HN 0.889 nan 8.190 nan 0.000 0.454 262 T N 1.559 116.178 114.554 0.108 0.000 2.907 262 T HA 0.791 5.141 4.350 0.002 0.000 0.290 262 T C -0.863 173.953 174.700 0.193 0.000 1.066 262 T CA -0.822 61.354 62.100 0.126 0.000 1.012 262 T CB 1.953 70.884 68.868 0.106 0.000 1.184 262 T HN 0.260 nan 8.240 nan 0.000 0.522 263 V N 0.994 120.955 119.914 0.078 0.000 2.407 263 V HA 0.722 4.843 4.120 0.002 0.000 0.291 263 V C 0.741 176.556 176.094 -0.465 0.000 1.018 263 V CA -0.555 61.646 62.300 -0.165 0.000 0.842 263 V CB 1.218 32.876 31.823 -0.275 0.000 0.996 263 V HN 1.260 nan 8.190 nan 0.000 0.426 264 G N 4.460 112.601 108.800 -1.099 0.000 2.437 264 G HA2 0.778 4.739 3.960 0.002 0.000 0.319 264 G HA3 0.778 4.739 3.960 0.002 0.000 0.319 264 G C -0.896 173.274 174.900 -1.216 0.000 1.158 264 G CA -0.562 43.463 45.100 -1.792 0.000 0.899 264 G HN 0.605 nan 8.290 nan 0.000 0.502 265 I N 0.762 120.938 120.570 -0.657 0.000 2.447 265 I HA 0.193 4.364 4.170 0.002 0.000 0.287 265 I C -1.417 174.684 176.117 -0.026 0.000 1.023 265 I CA -0.800 60.349 61.300 -0.252 0.000 1.083 265 I CB 2.190 40.090 38.000 -0.165 0.000 1.245 265 I HN 0.507 nan 8.210 nan 0.000 0.434 266 Y N 6.251 126.547 120.300 -0.006 0.000 2.335 266 Y HA 0.357 4.908 4.550 0.002 0.000 0.339 266 Y C -0.241 175.615 175.900 -0.073 0.000 0.987 266 Y CA -0.368 57.759 58.100 0.044 0.000 1.140 266 Y CB 0.523 39.015 38.460 0.053 0.000 1.173 266 Y HN 0.441 nan 8.280 nan 0.000 0.486 267 H N 8.347 127.112 119.070 -0.509 0.000 2.705 267 H HA 0.103 4.660 4.556 0.002 0.000 0.291 267 H C 0.543 175.515 175.328 -0.593 0.000 1.085 267 H CA -0.152 55.671 56.048 -0.375 0.000 1.357 267 H CB 1.552 31.182 29.762 -0.221 0.000 1.419 267 H HN 0.793 nan 8.280 nan 0.000 0.462 268 L N 3.154 124.247 121.223 -0.217 0.000 2.083 268 L HA -0.173 4.168 4.340 0.002 0.000 0.209 268 L C 2.571 179.416 176.870 -0.041 0.000 1.083 268 L CA 1.701 56.504 54.840 -0.061 0.000 0.752 268 L CB -0.590 41.562 42.059 0.155 0.000 0.899 268 L HN 0.703 nan 8.230 nan 0.000 0.433 269 A N -1.143 121.665 122.820 -0.020 0.000 1.969 269 A HA -0.167 4.154 4.320 0.002 0.000 0.218 269 A C 2.299 179.867 177.584 -0.026 0.000 1.169 269 A CA 2.148 54.183 52.037 -0.004 0.000 0.635 269 A CB -0.754 18.251 19.000 0.008 0.000 0.810 269 A HN 0.508 nan 8.150 nan 0.000 0.445 270 T N -6.053 108.461 114.554 -0.066 0.000 2.985 270 T HA 0.424 4.775 4.350 0.002 0.000 0.254 270 T C 1.373 176.025 174.700 -0.080 0.000 1.021 270 T CA 1.087 63.147 62.100 -0.066 0.000 0.957 270 T CB 0.275 69.093 68.868 -0.084 0.000 1.047 270 T HN 1.682 nan 8.240 nan 0.000 0.511 271 G N 1.851 110.536 108.800 -0.190 0.000 2.153 271 G HA2 -0.279 3.682 3.960 0.002 0.000 0.252 271 G HA3 -0.279 3.682 3.960 0.002 0.000 0.252 271 G C -0.087 174.755 174.900 -0.097 0.000 0.994 271 G CA 0.482 45.486 45.100 -0.160 0.000 0.698 271 G HN 0.834 nan 8.290 nan 0.000 0.521 272 K N 0.541 120.847 120.400 -0.158 0.000 2.143 272 K HA 0.563 4.884 4.320 0.002 0.000 0.272 272 K C -0.454 176.169 176.600 0.038 0.000 1.001 272 K CA -0.183 56.089 56.287 -0.025 0.000 0.915 272 K CB 0.689 33.156 32.500 -0.054 0.000 1.047 272 K HN 0.055 nan 8.250 nan 0.000 0.458 273 T N 2.799 117.438 114.554 0.142 0.000 2.797 273 T HA 0.353 4.704 4.350 0.002 0.000 0.279 273 T C -0.740 174.027 174.700 0.111 0.000 0.991 273 T CA -0.785 61.419 62.100 0.173 0.000 0.979 273 T CB 1.255 70.275 68.868 0.253 0.000 0.943 273 T HN 0.455 nan 8.240 nan 0.000 0.444 274 V N 1.103 121.037 119.914 0.034 0.000 2.680 274 V HA 0.704 4.825 4.120 0.002 0.000 0.309 274 V C -1.488 174.495 176.094 -0.184 0.000 1.052 274 V CA -1.174 61.139 62.300 0.022 0.000 0.908 274 V CB 1.077 32.935 31.823 0.058 0.000 1.001 274 V HN 0.753 nan 8.190 nan 0.000 0.431 275 Y N 3.108 123.392 120.300 -0.026 0.000 2.323 275 Y HA 0.609 5.160 4.550 0.002 0.000 0.331 275 Y C 0.622 176.451 175.900 -0.118 0.000 1.092 275 Y CA -0.780 57.264 58.100 -0.093 0.000 1.150 275 Y CB 1.545 39.970 38.460 -0.059 0.000 1.200 275 Y HN 0.602 nan 8.280 nan 0.000 0.472 276 L N 3.575 124.724 121.223 -0.124 0.000 2.514 276 L HA -0.027 4.314 4.340 0.002 0.000 0.280 276 L C 0.269 177.050 176.870 -0.148 0.000 1.223 276 L CA 0.384 55.068 54.840 -0.261 0.000 0.864 276 L CB 0.232 41.894 42.059 -0.661 0.000 1.118 276 L HN 0.596 nan 8.230 nan 0.000 0.494 277 Q N 1.489 121.275 119.800 -0.023 0.000 3.150 277 Q HA 0.052 4.393 4.340 0.002 0.000 0.297 277 Q C 1.069 177.142 176.000 0.122 0.000 1.382 277 Q CA -0.156 55.696 55.803 0.081 0.000 1.059 277 Q CB 0.243 29.073 28.738 0.152 0.000 1.559 277 Q HN 0.773 nan 8.270 nan 0.000 0.548 278 T N -2.898 111.622 114.554 -0.057 0.000 3.035 278 T HA 0.125 4.476 4.350 0.002 0.000 0.268 278 T C 1.213 175.896 174.700 -0.029 0.000 1.109 278 T CA 0.297 62.377 62.100 -0.033 0.000 1.119 278 T CB -0.053 68.724 68.868 -0.152 0.000 0.900 278 T HN 0.638 nan 8.240 nan 0.000 0.503 279 G N 1.544 110.314 108.800 -0.049 0.000 2.569 279 G HA2 -0.181 3.780 3.960 0.002 0.000 0.259 279 G HA3 -0.181 3.780 3.960 0.002 0.000 0.259 279 G C -0.763 174.071 174.900 -0.110 0.000 1.263 279 G CA -0.174 44.880 45.100 -0.077 0.000 0.928 279 G HN 0.539 nan 8.290 nan 0.000 0.572 280 E N 1.445 121.574 120.200 -0.119 0.000 2.212 280 E HA 0.519 4.870 4.350 0.002 0.000 0.270 280 E C -2.086 174.429 176.600 -0.141 0.000 0.956 280 E CA -1.452 54.867 56.400 -0.135 0.000 0.825 280 E CB 1.420 31.051 29.700 -0.115 0.000 1.167 280 E HN 0.436 nan 8.360 nan 0.000 0.400 281 P HA 0.173 nan 4.420 nan 0.000 0.275 281 P C 0.186 177.347 177.300 -0.232 0.000 1.228 281 P CA -0.187 62.805 63.100 -0.180 0.000 0.786 281 P CB 1.018 32.614 31.700 -0.174 0.000 0.927 282 K N 1.127 121.337 120.400 -0.316 0.000 2.283 282 K HA -0.119 4.202 4.320 0.002 0.000 0.202 282 K C 1.329 177.692 176.600 -0.394 0.000 1.048 282 K CA 1.202 57.209 56.287 -0.466 0.000 0.948 282 K CB 0.072 32.027 32.500 -0.908 0.000 0.742 282 K HN 0.548 nan 8.250 nan 0.000 0.458 283 E N 1.586 121.610 120.200 -0.294 0.000 2.516 283 E HA -0.083 4.268 4.350 0.002 0.000 0.199 283 E C -0.070 176.292 176.600 -0.398 0.000 1.069 283 E CA 0.195 56.488 56.400 -0.178 0.000 0.876 283 E CB 0.016 29.617 29.700 -0.165 0.000 0.843 283 E HN 0.328 nan 8.360 nan 0.000 0.530 284 K N 0.773 120.955 120.400 -0.364 0.000 2.469 284 K HA 0.012 4.333 4.320 0.002 0.000 0.274 284 K C -0.625 175.740 176.600 -0.391 0.000 0.983 284 K CA 0.095 56.103 56.287 -0.465 0.000 0.974 284 K CB 0.305 32.650 32.500 -0.259 0.000 0.913 284 K HN -0.265 nan 8.250 nan 0.000 0.493 285 F N 2.290 122.081 119.950 -0.266 0.000 2.411 285 F HA 0.291 4.819 4.527 0.002 0.000 0.350 285 F C 0.021 175.703 175.800 -0.198 0.000 1.114 285 F CA -0.984 56.713 58.000 -0.505 0.000 1.135 285 F CB 0.701 39.163 39.000 -0.896 0.000 1.120 285 F HN 0.233 nan 8.300 nan 0.000 0.495 286 L N 4.245 125.675 121.223 0.344 0.000 2.277 286 L HA 0.506 4.847 4.340 0.002 0.000 0.284 286 L C 0.128 177.177 176.870 0.297 0.000 1.028 286 L CA -0.476 54.506 54.840 0.237 0.000 0.835 286 L CB 1.018 43.221 42.059 0.240 0.000 1.215 286 L HN 0.735 nan 8.230 nan 0.000 0.425 287 T N -1.007 113.642 114.554 0.158 0.000 2.916 287 T HA 0.381 4.732 4.350 0.002 0.000 0.292 287 T C 0.324 175.110 174.700 0.143 0.000 1.064 287 T CA -0.712 61.505 62.100 0.195 0.000 1.011 287 T CB 1.720 70.647 68.868 0.099 0.000 1.152 287 T HN 0.573 nan 8.240 nan 0.000 0.510 288 N N 0.382 119.185 118.700 0.171 0.000 2.725 288 N HA -0.127 4.614 4.740 0.002 0.000 0.251 288 N C -0.652 174.886 175.510 0.047 0.000 1.031 288 N CA 0.129 53.279 53.050 0.166 0.000 0.720 288 N CB -1.255 37.401 38.487 0.281 0.000 0.930 288 N HN 0.608 nan 8.380 nan 0.000 0.543 289 L N 0.669 121.772 121.223 -0.201 0.000 2.578 289 L HA -0.031 4.310 4.340 0.002 0.000 0.279 289 L C 0.624 177.408 176.870 -0.144 0.000 1.227 289 L CA 1.200 55.811 54.840 -0.382 0.000 0.900 289 L CB 0.495 41.934 42.059 -1.034 0.000 1.144 289 L HN 0.147 nan 8.230 nan 0.000 0.496 290 S N 2.568 118.242 115.700 -0.042 0.000 2.720 290 S HA 0.340 4.811 4.470 0.002 0.000 0.278 290 S C -1.129 173.613 174.600 0.237 0.000 1.172 290 S CA -0.789 57.529 58.200 0.197 0.000 1.019 290 S CB 0.522 63.876 63.200 0.257 0.000 1.049 290 S HN 0.417 nan 8.310 nan 0.000 0.483 291 W N 2.991 124.421 121.300 0.216 0.000 2.251 291 W HA 0.398 5.059 4.660 0.002 0.000 0.329 291 W C 1.043 177.637 176.519 0.126 0.000 1.234 291 W CA -0.157 57.273 57.345 0.140 0.000 1.228 291 W CB 0.718 30.241 29.460 0.106 0.000 1.135 291 W HN 0.669 nan 8.180 nan 0.000 0.576 292 S N 2.668 118.555 115.700 0.311 0.000 2.572 292 S HA 0.106 4.577 4.470 0.002 0.000 0.279 292 S C -1.817 172.732 174.600 -0.085 0.000 1.341 292 S CA -0.917 57.264 58.200 -0.032 0.000 1.043 292 S CB 1.154 64.382 63.200 0.047 0.000 0.887 292 S HN 0.294 nan 8.310 nan 0.000 0.516 293 P HA -0.145 nan 4.420 nan 0.000 0.217 293 P C 0.818 178.089 177.300 -0.047 0.000 1.148 293 P CA 1.520 64.534 63.100 -0.144 0.000 0.828 293 P CB -0.097 31.497 31.700 -0.176 0.000 0.783 294 D N -1.192 119.188 120.400 -0.034 0.000 2.340 294 D HA -0.071 4.570 4.640 0.002 0.000 0.220 294 D C 0.438 176.764 176.300 0.043 0.000 1.039 294 D CA 0.151 54.156 54.000 0.009 0.000 0.866 294 D CB -0.818 39.992 40.800 0.017 0.000 0.913 294 D HN 0.177 nan 8.370 nan 0.000 0.523 295 E N -1.365 118.892 120.200 0.095 0.000 3.801 295 E HA -0.222 4.129 4.350 0.002 0.000 0.319 295 E C 0.529 177.296 176.600 0.278 0.000 0.784 295 E CA 0.699 57.210 56.400 0.184 0.000 1.183 295 E CB -1.533 28.161 29.700 -0.010 0.000 1.601 295 E HN 0.261 nan 8.360 nan 0.000 0.441 296 N N 0.010 118.808 118.700 0.163 0.000 2.416 296 N HA 0.045 4.786 4.740 0.002 0.000 0.177 296 N C 0.320 175.857 175.510 0.045 0.000 1.036 296 N CA 0.856 53.971 53.050 0.109 0.000 0.901 296 N CB 0.484 39.001 38.487 0.051 0.000 0.976 296 N HN 0.181 nan 8.380 nan 0.000 0.444 297 I N 1.179 121.739 120.570 -0.018 0.000 2.582 297 I HA 0.264 4.435 4.170 0.002 0.000 0.292 297 I C -0.791 175.080 176.117 -0.410 0.000 1.066 297 I CA -0.939 60.194 61.300 -0.278 0.000 1.053 297 I CB 2.280 39.992 38.000 -0.480 0.000 1.241 297 I HN -0.188 nan 8.210 nan 0.000 0.421 298 L N 7.336 128.215 121.223 -0.573 0.000 2.305 298 L HA 0.501 4.842 4.340 0.002 0.000 0.284 298 L C -1.204 175.353 176.870 -0.522 0.000 1.013 298 L CA -0.229 54.185 54.840 -0.711 0.000 0.819 298 L CB 0.976 42.455 42.059 -0.967 0.000 1.227 298 L HN 0.278 nan 8.230 nan 0.000 0.417 299 Y N 3.896 124.072 120.300 -0.207 0.000 2.320 299 Y HA 0.664 5.215 4.550 0.002 0.000 0.324 299 Y C 0.022 175.836 175.900 -0.143 0.000 1.190 299 Y CA -0.489 57.524 58.100 -0.145 0.000 1.215 299 Y CB 1.626 39.981 38.460 -0.176 0.000 1.221 299 Y HN 0.312 nan 8.280 nan 0.000 0.486 300 V N 1.812 121.769 119.914 0.071 0.000 2.760 300 V HA 0.657 4.778 4.120 0.002 0.000 0.309 300 V C -0.699 175.397 176.094 0.004 0.000 1.077 300 V CA -1.275 61.039 62.300 0.024 0.000 0.910 300 V CB 1.830 33.674 31.823 0.035 0.000 1.008 300 V HN 0.854 nan 8.190 nan 0.000 0.424 301 A N 3.531 126.360 122.820 0.016 0.000 2.294 301 A HA 0.663 4.984 4.320 0.002 0.000 0.316 301 A C -0.028 177.555 177.584 -0.001 0.000 1.359 301 A CA -0.388 51.647 52.037 -0.002 0.000 0.956 301 A CB 0.028 19.140 19.000 0.185 0.000 1.155 301 A HN 0.848 nan 8.150 nan 0.000 0.544 302 E N 1.534 121.713 120.200 -0.034 0.000 2.197 302 E HA 0.486 4.837 4.350 0.002 0.000 0.281 302 E C -0.979 175.580 176.600 -0.069 0.000 0.995 302 E CA -0.574 55.800 56.400 -0.044 0.000 0.808 302 E CB 2.003 31.687 29.700 -0.027 0.000 1.093 302 E HN 0.387 nan 8.360 nan 0.000 0.394 303 V N 3.554 123.407 119.914 -0.102 0.000 2.604 303 V HA 0.184 4.304 4.120 0.002 0.000 0.305 303 V C 0.073 176.115 176.094 -0.087 0.000 1.043 303 V CA -1.168 61.096 62.300 -0.060 0.000 0.888 303 V CB 1.633 33.389 31.823 -0.111 0.000 0.995 303 V HN 0.709 nan 8.190 nan 0.000 0.429 304 N N 3.705 122.370 118.700 -0.059 0.000 2.408 304 N HA 0.163 4.904 4.740 0.002 0.000 0.260 304 N C 0.841 176.280 175.510 -0.118 0.000 1.242 304 N CA -0.670 52.299 53.050 -0.136 0.000 0.959 304 N CB 0.735 39.177 38.487 -0.074 0.000 1.201 304 N HN 0.551 nan 8.380 nan 0.000 0.511 305 R N 0.337 120.718 120.500 -0.197 0.000 2.096 305 R HA -0.009 4.332 4.340 0.002 0.000 0.235 305 R C 1.800 178.172 176.300 0.119 0.000 1.127 305 R CA 1.814 57.855 56.100 -0.098 0.000 0.968 305 R CB -0.990 29.235 30.300 -0.125 0.000 0.861 305 R HN 0.742 nan 8.270 nan 0.000 0.440 306 A N 0.153 123.019 122.820 0.077 0.000 2.125 306 A HA -0.139 4.182 4.320 0.002 0.000 0.219 306 A C 0.609 178.288 177.584 0.159 0.000 1.156 306 A CA 1.317 53.423 52.037 0.114 0.000 0.671 306 A CB -0.255 18.791 19.000 0.077 0.000 0.794 306 A HN 0.614 nan 8.150 nan 0.000 0.459 307 Q N -1.933 117.977 119.800 0.184 0.000 2.494 307 Q HA -0.239 4.102 4.340 0.002 0.000 0.272 307 Q C -0.062 176.041 176.000 0.172 0.000 1.145 307 Q CA 0.744 56.675 55.803 0.214 0.000 0.943 307 Q CB -1.850 27.024 28.738 0.226 0.000 1.338 307 Q HN 1.019 nan 8.270 nan 0.000 0.492 308 N N -0.099 118.673 118.700 0.119 0.000 2.177 308 N HA 0.118 4.859 4.740 0.002 0.000 0.218 308 N C -0.377 175.170 175.510 0.060 0.000 1.182 308 N CA -0.031 53.070 53.050 0.084 0.000 0.882 308 N CB 0.785 39.305 38.487 0.055 0.000 1.052 308 N HN 0.390 nan 8.380 nan 0.000 0.519 309 E N 0.055 120.292 120.200 0.063 0.000 2.290 309 E HA 0.384 4.735 4.350 0.002 0.000 0.274 309 E C -1.784 174.843 176.600 0.044 0.000 0.889 309 E CA -0.870 55.556 56.400 0.043 0.000 0.760 309 E CB 1.960 31.666 29.700 0.011 0.000 1.206 309 E HN 0.187 nan 8.360 nan 0.000 0.419 310 C N 5.530 124.863 119.300 0.054 0.000 2.322 310 C HA 0.544 5.005 4.460 0.002 0.000 0.324 310 C C -0.930 174.034 174.990 -0.043 0.000 1.249 310 C CA -0.530 58.512 59.018 0.039 0.000 1.453 310 C CB -0.067 27.758 27.740 0.142 0.000 2.145 310 C HN 0.672 nan 8.230 nan 0.000 0.466 311 K N 4.955 125.293 120.400 -0.103 0.000 2.265 311 K HA 0.529 4.850 4.320 0.002 0.000 0.267 311 K C -0.835 175.582 176.600 -0.305 0.000 0.994 311 K CA -0.459 55.712 56.287 -0.194 0.000 0.860 311 K CB 1.890 34.320 32.500 -0.117 0.000 1.099 311 K HN 0.548 nan 8.250 nan 0.000 0.448 312 V N 4.385 123.922 119.914 -0.629 0.000 2.368 312 V HA 0.148 4.269 4.120 0.002 0.000 0.266 312 V C -0.222 175.628 176.094 -0.407 0.000 1.045 312 V CA -0.631 61.246 62.300 -0.704 0.000 0.899 312 V CB 0.523 31.486 31.823 -1.433 0.000 1.006 312 V HN 0.684 nan 8.190 nan 0.000 0.470 313 N N 3.097 121.699 118.700 -0.163 0.000 2.319 313 N HA 0.766 5.507 4.740 0.002 0.000 0.305 313 N C -0.393 175.037 175.510 -0.133 0.000 1.103 313 N CA -0.363 52.631 53.050 -0.094 0.000 0.815 313 N CB 2.218 40.743 38.487 0.062 0.000 1.288 313 N HN 0.719 nan 8.380 nan 0.000 0.493 314 A N 1.594 124.193 122.820 -0.369 0.000 2.304 314 A HA 0.685 5.006 4.320 0.002 0.000 0.323 314 A C -1.394 175.743 177.584 -0.744 0.000 1.195 314 A CA -0.366 51.365 52.037 -0.510 0.000 0.826 314 A CB 0.288 19.038 19.000 -0.418 0.000 1.184 314 A HN 0.614 nan 8.150 nan 0.000 0.496 315 Y N 0.231 120.297 120.300 -0.390 0.000 2.446 315 Y HA 0.370 4.921 4.550 0.002 0.000 0.345 315 Y C 0.057 175.787 175.900 -0.283 0.000 0.984 315 Y CA -0.552 57.384 58.100 -0.273 0.000 1.058 315 Y CB 1.926 40.262 38.460 -0.206 0.000 1.220 315 Y HN 0.830 nan 8.280 nan 0.000 0.455 316 D N 1.526 121.896 120.400 -0.050 0.000 2.339 316 D HA 0.317 4.958 4.640 0.002 0.000 0.256 316 D C 0.733 177.028 176.300 -0.008 0.000 1.214 316 D CA 0.325 54.294 54.000 -0.052 0.000 0.877 316 D CB 1.271 42.053 40.800 -0.029 0.000 1.111 316 D HN 0.696 nan 8.370 nan 0.000 0.478 317 A N 3.733 126.553 122.820 0.000 0.000 2.019 317 A HA -0.155 4.166 4.320 0.002 0.000 0.219 317 A C 1.925 179.655 177.584 0.243 0.000 1.164 317 A CA 1.205 53.294 52.037 0.086 0.000 0.644 317 A CB -0.365 18.773 19.000 0.231 0.000 0.805 317 A HN 0.674 nan 8.150 nan 0.000 0.449 318 E N -0.373 119.917 120.200 0.150 0.000 2.076 318 E HA -0.094 4.257 4.350 0.002 0.000 0.190 318 E C 2.048 178.649 176.600 0.000 0.000 0.979 318 E CA 1.907 58.331 56.400 0.041 0.000 0.807 318 E CB -0.078 29.611 29.700 -0.018 0.000 0.761 318 E HN 0.659 nan 8.360 nan 0.000 0.454 319 T N -4.936 109.632 114.554 0.024 0.000 2.971 319 T HA 0.333 4.684 4.350 0.002 0.000 0.252 319 T C 1.573 176.300 174.700 0.046 0.000 1.022 319 T CA 0.486 62.598 62.100 0.020 0.000 0.980 319 T CB 0.639 69.516 68.868 0.015 0.000 1.044 319 T HN 0.263 nan 8.240 nan 0.000 0.501 320 G N 2.101 110.933 108.800 0.053 0.000 2.179 320 G HA2 -0.280 3.681 3.960 0.002 0.000 0.260 320 G HA3 -0.280 3.681 3.960 0.002 0.000 0.260 320 G C 0.229 175.222 174.900 0.155 0.000 0.977 320 G CA -0.018 45.119 45.100 0.060 0.000 0.641 320 G HN 0.701 nan 8.290 nan 0.000 0.533 321 R N -0.397 120.180 120.500 0.128 0.000 2.623 321 R HA 0.386 4.727 4.340 0.002 0.000 0.271 321 R C 0.488 176.906 176.300 0.196 0.000 1.043 321 R CA -0.434 55.760 56.100 0.156 0.000 1.083 321 R CB 0.326 30.669 30.300 0.072 0.000 0.974 321 R HN 0.238 nan 8.270 nan 0.000 0.436 322 F N 2.763 122.741 119.950 0.046 0.000 2.578 322 F HA -0.034 4.494 4.527 0.002 0.000 0.376 322 F C 0.704 176.354 175.800 -0.250 0.000 1.085 322 F CA 0.132 57.966 58.000 -0.277 0.000 1.260 322 F CB 0.620 39.500 39.000 -0.201 0.000 1.095 322 F HN 0.188 nan 8.300 nan 0.000 0.573 323 V N 5.447 124.681 119.914 -1.133 0.000 2.599 323 V HA 0.226 4.347 4.120 0.002 0.000 0.237 323 V C 0.129 175.559 176.094 -1.106 0.000 1.081 323 V CA 1.025 62.828 62.300 -0.828 0.000 1.107 323 V CB -0.129 31.381 31.823 -0.522 0.000 0.808 323 V HN 0.844 nan 8.190 nan 0.000 0.486 324 R N -1.277 118.376 120.500 -1.412 0.000 2.709 324 R HA 0.377 4.718 4.340 0.002 0.000 0.270 324 R C -1.532 174.456 176.300 -0.519 0.000 1.038 324 R CA -0.558 55.025 56.100 -0.861 0.000 0.872 324 R CB 1.127 31.221 30.300 -0.344 0.000 1.259 324 R HN -0.004 nan 8.270 nan 0.000 0.473 325 T N 2.794 117.328 114.554 -0.033 0.000 2.728 325 T HA 0.231 4.582 4.350 0.002 0.000 0.296 325 T C 0.995 175.665 174.700 -0.051 0.000 0.940 325 T CA -0.487 61.626 62.100 0.021 0.000 1.013 325 T CB 0.967 69.895 68.868 0.099 0.000 0.912 325 T HN 0.400 nan 8.240 nan 0.000 0.484 326 L N 3.437 124.585 121.223 -0.125 0.000 2.023 326 L HA 0.270 4.611 4.340 0.002 0.000 0.205 326 L C 0.374 177.274 176.870 0.049 0.000 1.073 326 L CA 1.448 56.261 54.840 -0.045 0.000 0.745 326 L CB -0.290 41.729 42.059 -0.066 0.000 0.900 326 L HN 0.791 nan 8.230 nan 0.000 0.435 327 F N -4.389 115.465 119.950 -0.161 0.000 2.741 327 F HA 0.677 5.205 4.527 0.002 0.000 0.311 327 F C -1.241 174.471 175.800 -0.146 0.000 1.149 327 F CA -1.686 56.225 58.000 -0.148 0.000 0.930 327 F CB 0.765 39.640 39.000 -0.208 0.000 1.312 327 F HN -0.441 nan 8.300 nan 0.000 0.450 328 V N 1.227 121.222 119.914 0.135 0.000 2.656 328 V HA 0.519 4.640 4.120 0.002 0.000 0.307 328 V C -0.809 175.390 176.094 0.175 0.000 1.051 328 V CA -0.747 61.587 62.300 0.057 0.000 0.893 328 V CB 1.821 33.660 31.823 0.027 0.000 0.999 328 V HN 0.830 nan 8.190 nan 0.000 0.426 329 E N 2.021 122.317 120.200 0.159 0.000 2.212 329 E HA 0.727 5.078 4.350 0.002 0.000 0.268 329 E C -0.685 175.974 176.600 0.099 0.000 0.902 329 E CA -0.593 55.904 56.400 0.162 0.000 0.779 329 E CB 2.557 32.402 29.700 0.242 0.000 1.172 329 E HN 0.862 nan 8.360 nan 0.000 0.409 330 T N -0.820 113.775 114.554 0.067 0.000 2.865 330 T HA 0.630 4.981 4.350 0.002 0.000 0.294 330 T C -1.120 173.588 174.700 0.014 0.000 1.119 330 T CA -0.913 61.210 62.100 0.038 0.000 1.007 330 T CB 2.219 71.098 68.868 0.019 0.000 1.225 330 T HN 0.431 nan 8.240 nan 0.000 0.515 331 D N -1.215 119.176 120.400 -0.015 0.000 2.736 331 D HA 0.323 4.964 4.640 0.002 0.000 0.223 331 D C 0.743 176.967 176.300 -0.127 0.000 1.231 331 D CA -0.737 53.221 54.000 -0.071 0.000 0.818 331 D CB 2.247 42.999 40.800 -0.080 0.000 1.587 331 D HN 0.624 nan 8.370 nan 0.000 0.463 332 K N 0.589 120.855 120.400 -0.222 0.000 2.103 332 K HA -0.179 4.142 4.320 0.002 0.000 0.207 332 K C 0.822 177.148 176.600 -0.456 0.000 1.048 332 K CA 1.589 57.659 56.287 -0.361 0.000 0.930 332 K CB 0.095 32.258 32.500 -0.562 0.000 0.716 332 K HN 0.480 nan 8.250 nan 0.000 0.444 333 H N -2.538 116.358 119.070 -0.290 0.000 2.317 333 H HA 0.118 4.675 4.556 0.002 0.000 0.291 333 H C -0.091 175.009 175.328 -0.380 0.000 0.999 333 H CA 0.782 56.473 56.048 -0.594 0.000 1.336 333 H CB 0.484 29.722 29.762 -0.873 0.000 1.485 333 H HN 0.121 nan 8.280 nan 0.000 0.597 334 Y N -0.630 119.594 120.300 -0.126 0.000 2.565 334 Y HA 0.461 5.012 4.550 0.002 0.000 0.330 334 Y C -0.796 175.091 175.900 -0.021 0.000 1.150 334 Y CA -1.645 56.404 58.100 -0.085 0.000 1.055 334 Y CB 0.860 39.233 38.460 -0.147 0.000 1.337 334 Y HN -0.082 nan 8.280 nan 0.000 0.457 335 V N -0.695 119.347 119.914 0.215 0.000 2.617 335 V HA 0.742 4.863 4.120 0.002 0.000 0.298 335 V C -0.425 175.835 176.094 0.278 0.000 1.048 335 V CA -0.580 61.842 62.300 0.203 0.000 0.964 335 V CB 1.776 33.701 31.823 0.169 0.000 1.004 335 V HN 1.007 nan 8.190 nan 0.000 0.466 336 E N 4.430 124.792 120.200 0.270 0.000 2.908 336 E HA 0.407 4.758 4.350 0.002 0.000 0.291 336 E C -2.867 173.890 176.600 0.262 0.000 1.154 336 E CA -1.660 54.919 56.400 0.299 0.000 0.784 336 E CB 1.825 31.679 29.700 0.256 0.000 1.500 336 E HN 0.796 nan 8.360 nan 0.000 0.382 337 P HA 0.123 nan 4.420 nan 0.000 0.276 337 P C 0.035 177.438 177.300 0.172 0.000 1.230 337 P CA -0.161 63.061 63.100 0.203 0.000 0.776 337 P CB 1.389 33.293 31.700 0.340 0.000 0.888 338 L N 1.650 122.865 121.223 -0.014 0.000 3.174 338 L HA 0.263 4.604 4.340 0.002 0.000 0.283 338 L C 0.620 177.211 176.870 -0.466 0.000 1.187 338 L CA 0.003 54.722 54.840 -0.202 0.000 1.018 338 L CB 0.111 41.982 42.059 -0.314 0.000 1.433 338 L HN 0.469 nan 8.230 nan 0.000 0.593 339 H N 0.034 119.119 119.070 0.025 0.000 2.851 339 H HA 0.406 4.963 4.556 0.002 0.000 0.372 339 H C -2.528 172.874 175.328 0.123 0.000 1.158 339 H CA -1.623 54.470 56.048 0.075 0.000 1.159 339 H CB 2.078 31.859 29.762 0.032 0.000 1.757 339 H HN -0.233 nan 8.280 nan 0.000 0.546 340 P HA 0.097 nan 4.420 nan 0.000 0.274 340 P C -0.220 177.339 177.300 0.430 0.000 1.256 340 P CA -0.691 62.633 63.100 0.375 0.000 0.795 340 P CB 1.121 33.035 31.700 0.357 0.000 1.038 341 L N 0.820 122.274 121.223 0.384 0.000 2.453 341 L HA 0.185 4.526 4.340 0.002 0.000 0.272 341 L C 1.015 178.086 176.870 0.335 0.000 1.182 341 L CA 1.428 56.416 54.840 0.247 0.000 0.858 341 L CB -0.540 41.283 42.059 -0.393 0.000 1.120 341 L HN 0.339 nan 8.230 nan 0.000 0.474 342 T N 3.772 118.575 114.554 0.416 0.000 2.833 342 T HA 0.447 4.798 4.350 0.002 0.000 0.297 342 T C -0.258 174.777 174.700 0.559 0.000 1.015 342 T CA -0.363 62.076 62.100 0.565 0.000 0.963 342 T CB 0.038 69.346 68.868 0.734 0.000 0.955 342 T HN 0.033 nan 8.240 nan 0.000 0.449 343 F N 2.455 122.673 119.950 0.447 0.000 2.471 343 F HA 0.305 4.833 4.527 0.002 0.000 0.353 343 F C 0.748 176.646 175.800 0.163 0.000 1.113 343 F CA -0.984 57.222 58.000 0.344 0.000 1.262 343 F CB 0.293 39.445 39.000 0.254 0.000 1.146 343 F HN 0.295 nan 8.300 nan 0.000 0.578 344 L N 5.104 126.399 121.223 0.120 0.000 2.499 344 L HA 0.098 4.439 4.340 0.002 0.000 0.281 344 L C -1.972 174.740 176.870 -0.263 0.000 1.234 344 L CA -1.173 53.429 54.840 -0.396 0.000 0.839 344 L CB -0.598 41.353 42.059 -0.180 0.000 1.104 344 L HN 0.395 nan 8.230 nan 0.000 0.500 345 P HA 0.123 nan 4.420 nan 0.000 0.264 345 P C 0.675 177.951 177.300 -0.039 0.000 1.193 345 P CA 0.897 63.909 63.100 -0.145 0.000 0.763 345 P CB 0.536 32.163 31.700 -0.120 0.000 0.810 346 G N 1.822 110.633 108.800 0.017 0.000 2.189 346 G HA2 -0.260 3.701 3.960 0.002 0.000 0.267 346 G HA3 -0.260 3.701 3.960 0.002 0.000 0.267 346 G C 0.386 175.319 174.900 0.055 0.000 0.975 346 G CA 0.404 45.524 45.100 0.034 0.000 0.644 346 G HN 0.763 nan 8.290 nan 0.000 0.537 347 S N -0.667 115.086 115.700 0.088 0.000 2.454 347 S HA 0.598 5.069 4.470 0.002 0.000 0.306 347 S C 0.688 175.423 174.600 0.225 0.000 1.100 347 S CA 0.055 58.343 58.200 0.147 0.000 1.087 347 S CB 1.378 64.674 63.200 0.161 0.000 1.019 347 S HN 0.343 nan 8.310 nan 0.000 0.480 348 N N 3.331 122.143 118.700 0.187 0.000 2.236 348 N HA 0.245 4.986 4.740 0.002 0.000 0.196 348 N C 0.438 176.177 175.510 0.382 0.000 1.114 348 N CA 0.215 53.355 53.050 0.151 0.000 0.859 348 N CB 0.206 38.735 38.487 0.069 0.000 0.982 348 N HN 0.530 nan 8.380 nan 0.000 0.493 349 N N -0.713 118.236 118.700 0.415 0.000 2.193 349 N HA 0.139 4.880 4.740 0.002 0.000 0.210 349 N C -0.741 174.957 175.510 0.313 0.000 1.215 349 N CA 0.197 53.463 53.050 0.359 0.000 0.901 349 N CB 0.824 39.431 38.487 0.201 0.000 1.060 349 N HN 0.295 nan 8.380 nan 0.000 0.508 350 Q N 0.166 120.144 119.800 0.297 0.000 2.372 350 Q HA 0.539 4.880 4.340 0.002 0.000 0.273 350 Q C -1.340 174.656 176.000 -0.007 0.000 1.078 350 Q CA -0.843 54.994 55.803 0.056 0.000 0.806 350 Q CB 2.557 31.309 28.738 0.023 0.000 1.332 350 Q HN 0.122 nan 8.270 nan 0.000 0.435 351 F N -0.874 118.951 119.950 -0.208 0.000 2.662 351 F HA 0.673 5.201 4.527 0.002 0.000 0.312 351 F C -1.503 174.309 175.800 0.019 0.000 1.113 351 F CA -1.410 56.416 58.000 -0.290 0.000 0.951 351 F CB 0.987 39.410 39.000 -0.961 0.000 1.344 351 F HN 0.240 nan 8.300 nan 0.000 0.462 352 I N 2.666 123.442 120.570 0.343 0.000 2.359 352 I HA 0.181 4.352 4.170 0.002 0.000 0.294 352 I C -1.011 175.394 176.117 0.481 0.000 0.987 352 I CA -0.618 60.830 61.300 0.246 0.000 1.225 352 I CB 1.377 39.368 38.000 -0.016 0.000 1.366 352 I HN 0.843 nan 8.210 nan 0.000 0.466 353 W N 7.317 128.774 121.300 0.263 0.000 2.600 353 W HA 0.373 5.034 4.660 0.002 0.000 0.325 353 W C -1.109 175.547 176.519 0.228 0.000 1.034 353 W CA -0.631 56.904 57.345 0.316 0.000 1.226 353 W CB 1.736 31.457 29.460 0.434 0.000 1.379 353 W HN 0.546 nan 8.180 nan 0.000 0.466 354 Q N 3.540 123.121 119.800 -0.365 0.000 2.288 354 Q HA 0.335 4.676 4.340 0.002 0.000 0.254 354 Q C -0.534 175.131 176.000 -0.557 0.000 0.932 354 Q CA 0.138 55.730 55.803 -0.353 0.000 0.902 354 Q CB 2.033 30.599 28.738 -0.287 0.000 1.203 354 Q HN 0.332 nan 8.270 nan 0.000 0.415 355 S N 1.168 116.806 115.700 -0.104 0.000 2.533 355 S HA 0.304 4.775 4.470 0.002 0.000 0.271 355 S C -0.566 174.097 174.600 0.106 0.000 1.143 355 S CA -0.705 57.469 58.200 -0.043 0.000 0.891 355 S CB 1.419 64.572 63.200 -0.077 0.000 1.105 355 S HN 0.722 nan 8.310 nan 0.000 0.468 356 R N 2.021 122.562 120.500 0.068 0.000 2.426 356 R HA 0.161 4.502 4.340 0.002 0.000 0.263 356 R C 2.064 178.401 176.300 0.062 0.000 0.961 356 R CA 0.028 56.165 56.100 0.061 0.000 1.086 356 R CB -0.013 30.300 30.300 0.021 0.000 1.186 356 R HN 0.732 nan 8.270 nan 0.000 0.537 357 R N 0.200 120.749 120.500 0.081 0.000 2.127 357 R HA -0.130 4.211 4.340 0.002 0.000 0.238 357 R C 0.793 177.138 176.300 0.074 0.000 1.134 357 R CA 1.888 58.020 56.100 0.052 0.000 0.975 357 R CB -0.376 29.926 30.300 0.004 0.000 0.865 357 R HN 0.116 nan 8.270 nan 0.000 0.447 358 D N -0.570 119.924 120.400 0.157 0.000 2.328 358 D HA 0.085 4.726 4.640 0.002 0.000 0.226 358 D C 1.074 177.487 176.300 0.188 0.000 1.066 358 D CA 0.619 54.726 54.000 0.178 0.000 0.861 358 D CB 0.542 41.477 40.800 0.225 0.000 0.912 358 D HN 0.493 nan 8.370 nan 0.000 0.521 359 G N -1.089 107.731 108.800 0.034 0.000 2.201 359 G HA2 -0.172 3.789 3.960 0.002 0.000 0.212 359 G HA3 -0.172 3.789 3.960 0.002 0.000 0.212 359 G C -0.501 173.957 174.900 -0.737 0.000 0.994 359 G CA -0.224 44.697 45.100 -0.300 0.000 0.644 359 G HN 0.200 nan 8.290 nan 0.000 0.508 360 W N 0.036 121.324 121.300 -0.020 0.000 3.274 360 W HA 0.610 5.271 4.660 0.001 0.000 0.327 360 W C -0.413 175.952 176.519 -0.258 0.000 1.172 360 W CA -1.280 55.978 57.345 -0.145 0.000 1.217 360 W CB 0.890 30.231 29.460 -0.198 0.000 1.376 360 W HN 0.156 nan 8.180 nan 0.000 0.507 361 N N 2.574 121.197 118.700 -0.127 0.000 2.431 361 N HA 0.145 4.886 4.740 0.002 0.000 0.265 361 N C -0.567 174.658 175.510 -0.475 0.000 1.184 361 N CA 0.700 53.652 53.050 -0.163 0.000 0.943 361 N CB 0.245 38.702 38.487 -0.051 0.000 1.080 361 N HN 0.373 nan 8.380 nan 0.000 0.477 362 H N 2.221 121.267 119.070 -0.041 0.000 2.907 362 H HA 0.442 4.999 4.556 0.002 0.000 0.361 362 H C -0.611 174.578 175.328 -0.233 0.000 1.194 362 H CA -0.643 55.257 56.048 -0.248 0.000 1.152 362 H CB 1.106 30.630 29.762 -0.397 0.000 1.867 362 H HN 0.312 nan 8.280 nan 0.000 0.561 363 L N 2.043 123.089 121.223 -0.295 0.000 2.282 363 L HA 0.328 4.669 4.340 0.002 0.000 0.288 363 L C -0.973 175.673 176.870 -0.373 0.000 1.033 363 L CA -0.587 54.056 54.840 -0.328 0.000 0.807 363 L CB 0.480 42.223 42.059 -0.526 0.000 1.209 363 L HN 0.337 nan 8.230 nan 0.000 0.423 364 Y N 3.053 123.292 120.300 -0.101 0.000 2.393 364 Y HA 0.469 5.020 4.550 0.002 0.000 0.341 364 Y C -0.299 175.536 175.900 -0.108 0.000 0.988 364 Y CA -0.790 57.256 58.100 -0.090 0.000 1.078 364 Y CB 2.109 40.597 38.460 0.048 0.000 1.203 364 Y HN 0.344 nan 8.280 nan 0.000 0.453 365 L N 4.521 125.654 121.223 -0.150 0.000 2.265 365 L HA 0.502 4.843 4.340 0.002 0.000 0.289 365 L C -1.785 174.815 176.870 -0.450 0.000 1.033 365 L CA -0.639 54.070 54.840 -0.220 0.000 0.814 365 L CB -0.193 41.760 42.059 -0.178 0.000 1.203 365 L HN 0.535 nan 8.230 nan 0.000 0.423 366 Y N 2.290 122.251 120.300 -0.565 0.000 2.524 366 Y HA 0.479 5.030 4.550 0.002 0.000 0.344 366 Y C -0.140 175.330 175.900 -0.717 0.000 1.012 366 Y CA -0.756 56.914 58.100 -0.717 0.000 1.068 366 Y CB 1.678 39.451 38.460 -1.145 0.000 1.249 366 Y HN 0.739 nan 8.280 nan 0.000 0.468 367 D N -1.755 118.531 120.400 -0.192 0.000 2.387 367 D HA 0.146 4.787 4.640 0.002 0.000 0.255 367 D C 0.728 177.107 176.300 0.132 0.000 1.081 367 D CA -0.558 53.411 54.000 -0.052 0.000 0.994 367 D CB 1.012 41.823 40.800 0.018 0.000 1.127 367 D HN 0.551 nan 8.370 nan 0.000 0.513 368 T N -3.752 110.968 114.554 0.277 0.000 3.160 368 T HA -0.061 4.290 4.350 0.002 0.000 0.257 368 T C 1.517 176.382 174.700 0.276 0.000 1.147 368 T CA 0.944 63.286 62.100 0.403 0.000 1.064 368 T CB -0.965 68.186 68.868 0.472 0.000 0.949 368 T HN 0.591 nan 8.240 nan 0.000 0.526 369 T N -1.949 112.720 114.554 0.191 0.000 3.088 369 T HA 0.388 4.739 4.350 0.002 0.000 0.259 369 T C 1.953 176.744 174.700 0.151 0.000 1.122 369 T CA 0.663 62.845 62.100 0.136 0.000 1.095 369 T CB -0.519 68.405 68.868 0.092 0.000 0.930 369 T HN 0.854 nan 8.240 nan 0.000 0.508 370 G N 1.443 110.376 108.800 0.221 0.000 2.179 370 G HA2 -0.235 3.725 3.960 0.002 0.000 0.220 370 G HA3 -0.235 3.725 3.960 0.002 0.000 0.220 370 G C 0.096 175.200 174.900 0.339 0.000 0.990 370 G CA -0.071 45.207 45.100 0.296 0.000 0.646 370 G HN 0.832 nan 8.290 nan 0.000 0.517 371 R N 0.473 121.096 120.500 0.206 0.000 2.347 371 R HA 0.476 4.817 4.340 0.002 0.000 0.304 371 R C 0.238 176.513 176.300 -0.040 0.000 1.072 371 R CA -0.669 55.486 56.100 0.090 0.000 0.980 371 R CB 0.258 30.574 30.300 0.027 0.000 0.986 371 R HN 0.335 nan 8.270 nan 0.000 0.448 372 L N 6.715 127.789 121.223 -0.249 0.000 2.369 372 L HA 0.141 4.482 4.340 0.002 0.000 0.279 372 L C 0.711 177.326 176.870 -0.424 0.000 1.108 372 L CA 0.447 54.828 54.840 -0.764 0.000 0.852 372 L CB 0.645 42.288 42.059 -0.693 0.000 1.169 372 L HN 0.807 nan 8.230 nan 0.000 0.452 373 I N 4.254 124.572 120.570 -0.421 0.000 2.162 373 I HA -0.028 4.143 4.170 0.002 0.000 0.238 373 I C 0.772 176.750 176.117 -0.231 0.000 1.076 373 I CA 0.835 61.984 61.300 -0.252 0.000 1.353 373 I CB -0.182 37.695 38.000 -0.205 0.000 1.063 373 I HN 0.741 nan 8.210 nan 0.000 0.408 374 R N 0.547 120.888 120.500 -0.266 0.000 2.664 374 R HA 0.291 4.632 4.340 0.002 0.000 0.266 374 R C -1.032 175.114 176.300 -0.258 0.000 1.046 374 R CA -0.784 55.183 56.100 -0.221 0.000 0.885 374 R CB 0.943 31.135 30.300 -0.180 0.000 1.254 374 R HN -0.038 nan 8.270 nan 0.000 0.465 375 Q N 1.811 121.445 119.800 -0.277 0.000 2.262 375 Q HA 0.112 4.453 4.340 0.002 0.000 0.272 375 Q C 0.078 175.803 176.000 -0.458 0.000 1.076 375 Q CA -0.183 55.285 55.803 -0.558 0.000 0.905 375 Q CB 1.334 29.717 28.738 -0.592 0.000 1.182 375 Q HN 0.598 nan 8.270 nan 0.000 0.390 376 V N 2.795 122.428 119.914 -0.469 0.000 2.379 376 V HA -0.050 4.071 4.120 0.002 0.000 0.243 376 V C 1.031 176.921 176.094 -0.339 0.000 1.035 376 V CA 1.701 63.805 62.300 -0.327 0.000 1.035 376 V CB 0.037 31.701 31.823 -0.264 0.000 0.673 376 V HN 0.938 nan 8.190 nan 0.000 0.457 377 T N 0.687 114.967 114.554 -0.456 0.000 2.902 377 T HA 0.647 4.997 4.350 0.002 0.000 0.283 377 T C -0.666 173.482 174.700 -0.920 0.000 1.009 377 T CA -0.701 61.132 62.100 -0.447 0.000 1.051 377 T CB 1.815 70.494 68.868 -0.314 0.000 0.999 377 T HN 0.595 nan 8.240 nan 0.000 0.474 378 K N 0.308 120.127 120.400 -0.967 0.000 2.568 378 K HA 0.751 5.072 4.320 0.002 0.000 0.273 378 K C -0.598 175.418 176.600 -0.974 0.000 0.951 378 K CA -1.156 54.320 56.287 -1.351 0.000 0.854 378 K CB 1.590 33.645 32.500 -0.742 0.000 1.424 378 K HN 1.329 nan 8.250 nan 0.000 0.427 379 G N 0.861 109.082 108.800 -0.966 0.000 2.347 379 G HA2 0.036 3.997 3.960 0.002 0.000 0.321 379 G HA3 0.036 3.997 3.960 0.002 0.000 0.321 379 G C -1.566 172.667 174.900 -1.111 0.000 1.412 379 G CA -0.983 43.638 45.100 -0.797 0.000 0.990 379 G HN 0.536 nan 8.290 nan 0.000 0.637 380 E N 1.363 120.977 120.200 -0.977 0.000 2.261 380 E HA 0.255 4.606 4.350 0.002 0.000 0.308 380 E C -0.069 175.794 176.600 -1.229 0.000 1.400 380 E CA -0.259 55.044 56.400 -1.827 0.000 1.542 380 E CB 0.117 29.171 29.700 -1.078 0.000 1.369 380 E HN 0.463 nan 8.360 nan 0.000 0.493 381 W N 0.120 120.965 121.300 -0.758 0.000 2.959 381 W HA 0.460 5.121 4.660 0.001 0.000 0.358 381 W C -0.967 175.575 176.519 0.039 0.000 1.228 381 W CA -0.851 56.397 57.345 -0.161 0.000 1.183 381 W CB 0.551 29.924 29.460 -0.146 0.000 1.467 381 W HN -0.151 nan 8.180 nan 0.000 0.578 382 E N 1.067 121.510 120.200 0.405 0.000 2.266 382 E HA 0.422 4.773 4.350 0.002 0.000 0.268 382 E C -0.947 175.805 176.600 0.254 0.000 0.879 382 E CA -1.167 55.308 56.400 0.126 0.000 0.762 382 E CB 3.396 33.194 29.700 0.164 0.000 1.199 382 E HN 0.156 nan 8.360 nan 0.000 0.422 383 V N 2.319 122.270 119.914 0.061 0.000 2.508 383 V HA 0.011 4.132 4.120 0.002 0.000 0.281 383 V C 1.263 177.461 176.094 0.173 0.000 1.041 383 V CA 0.661 63.073 62.300 0.187 0.000 1.016 383 V CB 0.795 32.592 31.823 -0.043 0.000 0.984 383 V HN 0.947 nan 8.190 nan 0.000 0.478 384 T N 0.196 114.905 114.554 0.260 0.000 2.971 384 T HA 0.189 4.540 4.350 0.002 0.000 0.252 384 T C 0.518 175.361 174.700 0.239 0.000 1.022 384 T CA -0.074 62.166 62.100 0.233 0.000 0.980 384 T CB 0.081 69.094 68.868 0.241 0.000 1.044 384 T HN 0.574 nan 8.240 nan 0.000 0.501 385 N N -0.003 118.865 118.700 0.279 0.000 2.537 385 N HA 0.263 5.004 4.740 0.002 0.000 0.281 385 N C -2.111 173.614 175.510 0.358 0.000 1.097 385 N CA -0.444 52.773 53.050 0.278 0.000 0.964 385 N CB 1.867 40.531 38.487 0.294 0.000 1.588 385 N HN 0.120 nan 8.380 nan 0.000 0.511 386 F N 3.875 123.886 119.950 0.100 0.000 2.404 386 F HA 0.569 5.097 4.527 0.002 0.000 0.358 386 F C 0.636 176.529 175.800 0.155 0.000 1.120 386 F CA -0.516 57.545 58.000 0.102 0.000 1.144 386 F CB 0.949 39.930 39.000 -0.031 0.000 1.133 386 F HN 0.609 nan 8.300 nan 0.000 0.495 387 A N 4.039 126.807 122.820 -0.087 0.000 2.115 387 A HA 0.641 4.962 4.320 0.002 0.000 0.211 387 A C 1.128 178.492 177.584 -0.366 0.000 1.169 387 A CA 0.736 52.737 52.037 -0.060 0.000 0.787 387 A CB -0.735 18.500 19.000 0.392 0.000 0.858 387 A HN 1.433 nan 8.150 nan 0.000 0.474 388 G N -1.873 106.386 108.800 -0.902 0.000 2.260 388 G HA2 0.289 4.250 3.960 0.002 0.000 0.250 388 G HA3 0.289 4.250 3.960 0.002 0.000 0.250 388 G C -0.928 173.687 174.900 -0.474 0.000 1.340 388 G CA -0.565 44.037 45.100 -0.830 0.000 1.056 388 G HN 0.380 nan 8.290 nan 0.000 0.471 389 F N 1.355 121.428 119.950 0.205 0.000 2.611 389 F HA 0.571 5.099 4.527 0.002 0.000 0.324 389 F C 0.322 176.344 175.800 0.370 0.000 1.061 389 F CA -0.316 57.869 58.000 0.308 0.000 0.954 389 F CB 1.466 40.607 39.000 0.235 0.000 1.301 389 F HN 0.657 nan 8.300 nan 0.000 0.482 390 D N 0.583 121.330 120.400 0.580 0.000 2.357 390 D HA 0.125 4.766 4.640 0.002 0.000 0.242 390 D C -2.195 174.270 176.300 0.276 0.000 1.153 390 D CA -1.802 52.448 54.000 0.416 0.000 0.918 390 D CB 0.434 41.431 40.800 0.329 0.000 1.181 390 D HN 0.129 nan 8.370 nan 0.000 0.435 391 P HA -0.158 nan 4.420 nan 0.000 0.216 391 P C 1.032 178.388 177.300 0.094 0.000 1.150 391 P CA 1.472 64.641 63.100 0.115 0.000 0.843 391 P CB 0.164 31.909 31.700 0.076 0.000 0.787 392 K N -1.677 118.783 120.400 0.100 0.000 2.432 392 K HA 0.119 4.440 4.320 0.002 0.000 0.196 392 K C 1.361 177.999 176.600 0.063 0.000 1.038 392 K CA 0.924 57.254 56.287 0.071 0.000 0.986 392 K CB -1.092 31.449 32.500 0.069 0.000 0.782 392 K HN 0.212 nan 8.250 nan 0.000 0.485 393 G N 2.156 111.018 108.800 0.103 0.000 2.273 393 G HA2 -0.295 3.666 3.960 0.002 0.000 0.280 393 G HA3 -0.295 3.666 3.960 0.002 0.000 0.280 393 G C 0.689 175.674 174.900 0.142 0.000 1.047 393 G CA 1.101 46.260 45.100 0.098 0.000 0.869 393 G HN 0.402 nan 8.290 nan 0.000 0.502 394 T N -3.828 110.812 114.554 0.144 0.000 3.023 394 T HA 0.471 4.822 4.350 0.002 0.000 0.253 394 T C 0.914 175.669 174.700 0.092 0.000 1.038 394 T CA 0.316 62.477 62.100 0.101 0.000 0.962 394 T CB 0.709 69.616 68.868 0.066 0.000 1.018 394 T HN 0.519 nan 8.240 nan 0.000 0.521 395 R N 0.287 120.856 120.500 0.116 0.000 2.744 395 R HA 0.721 5.062 4.340 0.002 0.000 0.279 395 R C -1.298 175.010 176.300 0.014 0.000 0.977 395 R CA -0.784 55.309 56.100 -0.011 0.000 0.906 395 R CB 2.119 32.315 30.300 -0.174 0.000 1.197 395 R HN 0.184 nan 8.270 nan 0.000 0.463 396 L N 2.776 123.966 121.223 -0.055 0.000 2.317 396 L HA 0.521 4.862 4.340 0.002 0.000 0.281 396 L C -1.026 175.782 176.870 -0.104 0.000 1.024 396 L CA -0.851 54.025 54.840 0.060 0.000 0.810 396 L CB 1.072 43.247 42.059 0.194 0.000 1.240 396 L HN 0.507 nan 8.230 nan 0.000 0.427 397 Y N 3.124 123.520 120.300 0.159 0.000 2.352 397 Y HA 0.642 5.193 4.550 0.002 0.000 0.339 397 Y C -0.152 175.736 175.900 -0.021 0.000 0.992 397 Y CA -0.657 57.370 58.100 -0.122 0.000 1.100 397 Y CB 1.639 40.026 38.460 -0.121 0.000 1.192 397 Y HN 0.434 nan 8.280 nan 0.000 0.458 398 F N -0.942 118.795 119.950 -0.356 0.000 2.719 398 F HA 0.495 5.023 4.527 0.002 0.000 0.309 398 F C -1.359 174.406 175.800 -0.057 0.000 1.138 398 F CA -1.379 56.582 58.000 -0.066 0.000 0.943 398 F CB 1.419 40.514 39.000 0.159 0.000 1.304 398 F HN 0.367 nan 8.300 nan 0.000 0.445 399 E N 1.543 121.963 120.200 0.366 0.000 2.266 399 E HA 0.642 4.993 4.350 0.002 0.000 0.277 399 E C -1.015 175.873 176.600 0.480 0.000 1.018 399 E CA -0.364 56.283 56.400 0.412 0.000 0.840 399 E CB 1.643 31.600 29.700 0.429 0.000 1.082 399 E HN 0.918 nan 8.360 nan 0.000 0.395 400 S N 1.147 117.109 115.700 0.436 0.000 2.656 400 S HA 0.210 4.681 4.470 0.002 0.000 0.273 400 S C 0.229 174.983 174.600 0.257 0.000 1.168 400 S CA -0.151 58.267 58.200 0.363 0.000 0.817 400 S CB 1.166 64.552 63.200 0.311 0.000 1.146 400 S HN 0.524 nan 8.310 nan 0.000 0.475 401 T N -2.193 112.497 114.554 0.226 0.000 3.188 401 T HA 0.261 4.612 4.350 0.002 0.000 0.250 401 T C 1.104 175.790 174.700 -0.024 0.000 1.077 401 T CA 0.596 62.780 62.100 0.141 0.000 0.967 401 T CB -0.320 68.667 68.868 0.198 0.000 1.006 401 T HN 0.719 nan 8.240 nan 0.000 0.552 402 E N 1.570 121.562 120.200 -0.348 0.000 2.070 402 E HA -0.214 4.137 4.350 0.002 0.000 0.197 402 E C 2.354 178.709 176.600 -0.409 0.000 1.004 402 E CA 1.451 57.367 56.400 -0.806 0.000 0.805 402 E CB -0.500 28.149 29.700 -1.752 0.000 0.744 402 E HN 0.677 nan 8.360 nan 0.000 0.451 403 A N 0.098 122.722 122.820 -0.326 0.000 1.908 403 A HA -0.083 4.238 4.320 0.002 0.000 0.218 403 A C 1.268 178.733 177.584 -0.198 0.000 1.181 403 A CA 1.456 53.290 52.037 -0.338 0.000 0.627 403 A CB -0.119 18.405 19.000 -0.795 0.000 0.818 403 A HN 0.258 nan 8.150 nan 0.000 0.445 404 S N -3.127 112.487 115.700 -0.144 0.000 2.675 404 S HA 0.357 4.828 4.470 0.002 0.000 0.297 404 S C -2.792 171.778 174.600 -0.051 0.000 1.035 404 S CA -0.239 57.905 58.200 -0.094 0.000 0.852 404 S CB 1.297 64.433 63.200 -0.107 0.000 1.051 404 S HN -0.045 nan 8.310 nan 0.000 0.451 405 P HA 0.052 nan 4.420 nan 0.000 0.228 405 P C 1.072 178.339 177.300 -0.054 0.000 1.151 405 P CA 0.691 63.783 63.100 -0.014 0.000 0.770 405 P CB -0.063 31.633 31.700 -0.007 0.000 0.786 406 L N -1.308 119.834 121.223 -0.135 0.000 2.592 406 L HA 0.182 4.523 4.340 0.002 0.000 0.227 406 L C 1.064 177.919 176.870 -0.025 0.000 1.127 406 L CA 0.370 55.134 54.840 -0.127 0.000 0.884 406 L CB -0.234 41.673 42.059 -0.253 0.000 1.065 406 L HN -0.015 nan 8.230 nan 0.000 0.457 407 E N 0.011 120.232 120.200 0.036 0.000 2.392 407 E HA 0.553 4.904 4.350 0.002 0.000 0.269 407 E C -0.752 175.986 176.600 0.229 0.000 0.924 407 E CA -0.981 55.511 56.400 0.153 0.000 0.784 407 E CB 2.175 32.008 29.700 0.220 0.000 1.292 407 E HN -0.076 nan 8.360 nan 0.000 0.447 408 R N 1.436 122.152 120.500 0.360 0.000 2.514 408 R HA 0.439 4.780 4.340 0.002 0.000 0.296 408 R C -0.898 175.740 176.300 0.563 0.000 1.012 408 R CA -0.430 55.904 56.100 0.389 0.000 0.897 408 R CB 1.212 31.679 30.300 0.278 0.000 1.184 408 R HN 0.634 nan 8.270 nan 0.000 0.440 409 H N 0.934 120.145 119.070 0.235 0.000 2.771 409 H HA 0.417 4.974 4.556 0.002 0.000 0.367 409 H C -0.886 174.444 175.328 0.004 0.000 1.172 409 H CA -0.804 55.251 56.048 0.012 0.000 1.186 409 H CB 2.710 32.289 29.762 -0.305 0.000 1.790 409 H HN 0.281 nan 8.280 nan 0.000 0.556 410 F N 1.878 121.654 119.950 -0.290 0.000 2.420 410 F HA 0.306 4.834 4.527 0.002 0.000 0.342 410 F C -1.283 174.215 175.800 -0.504 0.000 1.113 410 F CA -0.456 57.407 58.000 -0.229 0.000 1.059 410 F CB 0.441 39.349 39.000 -0.154 0.000 1.128 410 F HN 0.353 nan 8.300 nan 0.000 0.475 411 Y N 3.538 123.333 120.300 -0.842 0.000 2.602 411 Y HA 0.553 5.104 4.550 0.002 0.000 0.342 411 Y C -0.403 174.999 175.900 -0.830 0.000 1.029 411 Y CA -1.155 56.455 58.100 -0.818 0.000 1.080 411 Y CB 1.492 39.335 38.460 -1.029 0.000 1.284 411 Y HN 0.664 nan 8.280 nan 0.000 0.485 412 C N 3.271 122.401 119.300 -0.285 0.000 2.456 412 C HA 0.850 5.311 4.460 0.002 0.000 0.325 412 C C -0.628 174.296 174.990 -0.110 0.000 1.217 412 C CA -0.747 58.095 59.018 -0.293 0.000 1.687 412 C CB -0.253 27.380 27.740 -0.177 0.000 2.270 412 C HN 0.804 nan 8.230 nan 0.000 0.499 413 I N 3.378 123.924 120.570 -0.040 0.000 2.752 413 I HA 0.328 4.499 4.170 0.002 0.000 0.295 413 I C -0.851 175.265 176.117 -0.003 0.000 1.219 413 I CA -0.265 61.072 61.300 0.063 0.000 1.030 413 I CB 1.937 40.078 38.000 0.234 0.000 1.259 413 I HN 0.761 nan 8.210 nan 0.000 0.423 414 D N 4.237 124.634 120.400 -0.004 0.000 2.455 414 D HA 0.033 4.674 4.640 0.002 0.000 0.241 414 D C 1.159 177.459 176.300 -0.001 0.000 1.138 414 D CA 0.328 54.323 54.000 -0.007 0.000 0.877 414 D CB 1.089 41.885 40.800 -0.008 0.000 1.187 414 D HN 0.478 nan 8.370 nan 0.000 0.451 415 I N 3.249 123.830 120.570 0.018 0.000 2.399 415 I HA -0.270 3.901 4.170 0.002 0.000 0.254 415 I C 1.611 177.713 176.117 -0.024 0.000 1.146 415 I CA 1.568 62.880 61.300 0.019 0.000 1.412 415 I CB 0.069 38.107 38.000 0.064 0.000 1.076 415 I HN 0.443 nan 8.210 nan 0.000 0.432 416 K N 0.849 121.234 120.400 -0.025 0.000 2.525 416 K HA 0.230 4.551 4.320 0.002 0.000 0.192 416 K C 1.057 177.619 176.600 -0.062 0.000 1.029 416 K CA 0.528 56.789 56.287 -0.044 0.000 1.029 416 K CB -0.289 32.192 32.500 -0.032 0.000 0.814 416 K HN 0.577 nan 8.250 nan 0.000 0.503 417 G N 0.184 108.948 108.800 -0.061 0.000 2.545 417 G HA2 0.021 3.982 3.960 0.002 0.000 0.216 417 G HA3 0.021 3.982 3.960 0.002 0.000 0.216 417 G C 0.310 175.183 174.900 -0.046 0.000 1.314 417 G CA -0.469 44.586 45.100 -0.076 0.000 0.906 417 G HN 0.603 nan 8.290 nan 0.000 0.563 418 G N -0.565 108.204 108.800 -0.051 0.000 2.545 418 G HA2 0.032 3.993 3.960 0.002 0.000 0.240 418 G HA3 0.032 3.993 3.960 0.002 0.000 0.240 418 G C 0.222 175.122 174.900 0.000 0.000 1.172 418 G CA 1.017 46.099 45.100 -0.029 0.000 0.949 418 G HN 1.383 nan 8.290 nan 0.000 0.574 419 K N 1.937 122.341 120.400 0.006 0.000 2.234 419 K HA 0.539 4.860 4.320 0.002 0.000 0.282 419 K C 0.796 177.415 176.600 0.032 0.000 1.039 419 K CA 0.377 56.674 56.287 0.016 0.000 0.928 419 K CB 0.617 33.119 32.500 0.004 0.000 1.039 419 K HN 0.846 nan 8.250 nan 0.000 0.470 420 T N 0.735 115.312 114.554 0.038 0.000 2.910 420 T HA 0.204 4.555 4.350 0.002 0.000 0.293 420 T C -0.085 174.652 174.700 0.061 0.000 1.015 420 T CA -0.671 61.460 62.100 0.051 0.000 1.094 420 T CB 1.243 70.078 68.868 -0.055 0.000 0.968 420 T HN 0.427 nan 8.240 nan 0.000 0.521 421 K N 1.684 122.125 120.400 0.068 0.000 2.358 421 K HA 0.187 4.507 4.320 0.002 0.000 0.260 421 K C -1.100 175.497 176.600 -0.005 0.000 0.956 421 K CA -0.665 55.643 56.287 0.035 0.000 0.834 421 K CB 1.218 33.717 32.500 -0.002 0.000 1.102 421 K HN 0.742 nan 8.250 nan 0.000 0.431 422 D N 4.888 125.233 120.400 -0.092 0.000 2.343 422 D HA 0.061 4.702 4.640 0.002 0.000 0.255 422 D C 0.688 176.799 176.300 -0.316 0.000 1.187 422 D CA -0.053 53.662 54.000 -0.475 0.000 0.875 422 D CB 0.883 41.464 40.800 -0.365 0.000 1.136 422 D HN 0.547 nan 8.370 nan 0.000 0.469 423 L N 2.681 123.703 121.223 -0.334 0.000 2.585 423 L HA 0.101 4.442 4.340 0.002 0.000 0.226 423 L C 0.993 177.712 176.870 -0.252 0.000 1.113 423 L CA 0.308 55.048 54.840 -0.167 0.000 0.876 423 L CB 0.145 42.217 42.059 0.022 0.000 1.072 423 L HN 0.474 nan 8.230 nan 0.000 0.468 424 T N -4.234 110.058 114.554 -0.436 0.000 3.542 424 T HA 0.266 4.617 4.350 0.002 0.000 0.276 424 T C -2.035 172.199 174.700 -0.776 0.000 1.412 424 T CA -1.346 60.307 62.100 -0.744 0.000 1.664 424 T CB 0.750 68.920 68.868 -1.164 0.000 0.863 424 T HN -0.166 nan 8.240 nan 0.000 0.661 425 P HA -0.045 nan 4.420 nan 0.000 0.222 425 P C 0.511 177.738 177.300 -0.121 0.000 1.147 425 P CA 0.607 63.603 63.100 -0.173 0.000 0.790 425 P CB 0.258 31.885 31.700 -0.122 0.000 0.780 426 E N 0.912 120.973 120.200 -0.232 0.000 2.376 426 E HA 0.081 4.432 4.350 0.002 0.000 0.266 426 E C -0.204 176.408 176.600 0.020 0.000 1.009 426 E CA -0.263 56.023 56.400 -0.190 0.000 0.902 426 E CB 0.215 29.594 29.700 -0.536 0.000 0.972 426 E HN -0.134 nan 8.360 nan 0.000 0.439 427 S N 2.857 118.648 115.700 0.151 0.000 2.506 427 S HA 0.402 4.873 4.470 0.002 0.000 0.291 427 S C 0.110 174.920 174.600 0.351 0.000 1.230 427 S CA 0.683 59.046 58.200 0.272 0.000 1.107 427 S CB -0.364 62.940 63.200 0.174 0.000 0.942 427 S HN 0.739 nan 8.310 nan 0.000 0.502 428 G N 4.649 113.650 108.800 0.336 0.000 2.441 428 G HA2 0.137 4.098 3.960 0.002 0.000 0.222 428 G HA3 0.137 4.098 3.960 0.002 0.000 0.222 428 G C -1.517 173.405 174.900 0.036 0.000 1.254 428 G CA -0.790 44.372 45.100 0.102 0.000 0.959 428 G HN 0.530 nan 8.290 nan 0.000 0.474 429 M N 2.293 121.751 119.600 -0.236 0.000 2.066 429 M HA 0.423 4.904 4.480 0.002 0.000 0.340 429 M C -0.916 175.281 176.300 -0.172 0.000 1.053 429 M CA -0.352 54.879 55.300 -0.114 0.000 0.983 429 M CB 0.784 33.314 32.600 -0.116 0.000 1.520 429 M HN 0.524 nan 8.290 nan 0.000 0.428 430 H N 3.308 122.451 119.070 0.123 0.000 2.459 430 H HA 0.503 5.060 4.556 0.002 0.000 0.332 430 H C -0.336 175.036 175.328 0.072 0.000 1.094 430 H CA -0.698 55.418 56.048 0.114 0.000 1.224 430 H CB 1.595 31.386 29.762 0.048 0.000 1.449 430 H HN 0.321 nan 8.280 nan 0.000 0.484 431 R N 2.286 122.868 120.500 0.136 0.000 2.360 431 R HA 0.355 4.696 4.340 0.002 0.000 0.318 431 R C -0.636 175.665 176.300 0.002 0.000 0.950 431 R CA -0.609 55.538 56.100 0.078 0.000 0.837 431 R CB 1.237 31.564 30.300 0.044 0.000 1.165 431 R HN 0.587 nan 8.270 nan 0.000 0.458 432 T N 2.665 117.180 114.554 -0.065 0.000 2.861 432 T HA 0.456 4.807 4.350 0.002 0.000 0.287 432 T C -0.396 174.124 174.700 -0.300 0.000 1.003 432 T CA -0.814 61.107 62.100 -0.299 0.000 0.977 432 T CB 2.167 70.597 68.868 -0.729 0.000 0.996 432 T HN 0.284 nan 8.240 nan 0.000 0.448 433 Q N 1.892 121.573 119.800 -0.198 0.000 2.333 433 Q HA 0.537 4.878 4.340 0.002 0.000 0.268 433 Q C -1.038 174.997 176.000 0.058 0.000 1.007 433 Q CA -0.970 54.832 55.803 -0.001 0.000 0.810 433 Q CB 2.240 31.076 28.738 0.162 0.000 1.264 433 Q HN 0.464 nan 8.270 nan 0.000 0.452 434 L N 2.527 123.716 121.223 -0.057 0.000 2.331 434 L HA 0.237 4.578 4.340 0.002 0.000 0.278 434 L C 0.015 176.686 176.870 -0.332 0.000 1.106 434 L CA 0.287 55.031 54.840 -0.160 0.000 0.824 434 L CB 1.139 43.142 42.059 -0.093 0.000 1.142 434 L HN 0.738 nan 8.230 nan 0.000 0.443 435 S N 4.339 119.544 115.700 -0.825 0.000 2.573 435 S HA 0.240 4.711 4.470 0.002 0.000 0.277 435 S C -1.734 172.494 174.600 -0.619 0.000 1.346 435 S CA -0.658 56.639 58.200 -1.506 0.000 1.034 435 S CB 0.208 62.257 63.200 -1.919 0.000 0.879 435 S HN 0.664 nan 8.310 nan 0.000 0.528 436 P HA -0.168 nan 4.420 nan 0.000 0.217 436 P C 0.806 178.027 177.300 -0.133 0.000 1.151 436 P CA 1.729 64.737 63.100 -0.153 0.000 0.849 436 P CB -0.186 31.477 31.700 -0.060 0.000 0.787 437 D N -2.207 118.075 120.400 -0.196 0.000 2.355 437 D HA 0.067 4.708 4.640 0.002 0.000 0.218 437 D C 1.361 177.598 176.300 -0.106 0.000 1.004 437 D CA 0.780 54.710 54.000 -0.118 0.000 0.880 437 D CB -1.147 39.592 40.800 -0.103 0.000 0.911 437 D HN 0.200 nan 8.370 nan 0.000 0.528 438 G N 0.093 108.780 108.800 -0.188 0.000 2.153 438 G HA2 -0.333 3.628 3.960 0.002 0.000 0.252 438 G HA3 -0.333 3.628 3.960 0.002 0.000 0.252 438 G C 0.977 175.762 174.900 -0.192 0.000 0.994 438 G CA 0.912 45.905 45.100 -0.178 0.000 0.698 438 G HN 0.760 nan 8.290 nan 0.000 0.521 439 S N -1.739 113.837 115.700 -0.207 0.000 2.511 439 S HA 0.763 5.234 4.470 0.002 0.000 0.214 439 S C 0.943 175.460 174.600 -0.139 0.000 0.997 439 S CA 1.122 59.246 58.200 -0.127 0.000 0.908 439 S CB 0.655 63.803 63.200 -0.087 0.000 0.803 439 S HN 2.034 nan 8.310 nan 0.000 0.504 440 A N 1.070 123.744 122.820 -0.244 0.000 2.593 440 A HA 0.799 5.120 4.320 0.002 0.000 0.290 440 A C -1.291 176.241 177.584 -0.087 0.000 1.126 440 A CA -1.038 50.929 52.037 -0.117 0.000 0.695 440 A CB 1.009 20.011 19.000 0.003 0.000 1.290 440 A HN 0.908 nan 8.150 nan 0.000 0.414 441 I N -1.346 119.296 120.570 0.121 0.000 2.619 441 I HA 0.663 4.834 4.170 0.002 0.000 0.292 441 I C -1.091 175.125 176.117 0.166 0.000 1.100 441 I CA -0.710 60.649 61.300 0.098 0.000 1.043 441 I CB 1.831 39.713 38.000 -0.196 0.000 1.239 441 I HN 0.488 nan 8.210 nan 0.000 0.420 442 I N 3.946 124.608 120.570 0.154 0.000 2.395 442 I HA 0.311 4.482 4.170 0.002 0.000 0.289 442 I C -0.644 175.380 176.117 -0.154 0.000 1.023 442 I CA 0.306 61.522 61.300 -0.140 0.000 1.350 442 I CB 1.106 38.923 38.000 -0.305 0.000 1.409 442 I HN 0.662 nan 8.210 nan 0.000 0.507 443 D N 6.914 127.219 120.400 -0.157 0.000 2.649 443 D HA 0.559 5.200 4.640 0.002 0.000 0.249 443 D C -0.997 175.268 176.300 -0.059 0.000 1.112 443 D CA -0.336 53.603 54.000 -0.102 0.000 0.850 443 D CB 1.456 42.209 40.800 -0.079 0.000 1.399 443 D HN 0.278 nan 8.370 nan 0.000 0.503 444 I N 4.003 124.565 120.570 -0.013 0.000 2.410 444 I HA 0.375 4.546 4.170 0.002 0.000 0.286 444 I C -1.077 175.063 176.117 0.040 0.000 1.009 444 I CA -1.020 60.269 61.300 -0.019 0.000 1.111 444 I CB 1.243 39.204 38.000 -0.064 0.000 1.262 444 I HN 0.309 nan 8.210 nan 0.000 0.443 445 F N 6.959 126.813 119.950 -0.161 0.000 2.546 445 F HA 0.639 5.167 4.527 0.002 0.000 0.320 445 F C -0.770 174.888 175.800 -0.237 0.000 1.076 445 F CA -0.222 57.613 58.000 -0.275 0.000 0.928 445 F CB 1.632 40.442 39.000 -0.316 0.000 1.189 445 F HN 0.536 nan 8.300 nan 0.000 0.465 446 Q N 3.195 122.260 119.800 -1.224 0.000 2.435 446 Q HA 0.719 5.060 4.340 0.002 0.000 0.282 446 Q C -1.901 173.437 176.000 -1.103 0.000 1.020 446 Q CA -0.947 54.291 55.803 -0.943 0.000 0.820 446 Q CB 2.218 30.718 28.738 -0.397 0.000 1.436 446 Q HN 0.794 nan 8.270 nan 0.000 0.395 447 S N -0.612 114.712 115.700 -0.627 0.000 2.656 447 S HA 0.598 5.069 4.470 0.002 0.000 0.273 447 S C -2.497 172.101 174.600 -0.003 0.000 1.168 447 S CA -1.134 56.871 58.200 -0.325 0.000 0.817 447 S CB 1.543 64.600 63.200 -0.238 0.000 1.146 447 S HN 0.460 nan 8.310 nan 0.000 0.475 448 P HA -0.044 nan 4.420 nan 0.000 0.218 448 P C 1.406 178.861 177.300 0.258 0.000 1.148 448 P CA 2.108 65.261 63.100 0.088 0.000 0.822 448 P CB -0.323 31.377 31.700 -0.000 0.000 0.784 449 T N -5.153 109.515 114.554 0.189 0.000 3.037 449 T HA 0.146 4.497 4.350 0.002 0.000 0.251 449 T C 0.587 175.353 174.700 0.111 0.000 1.079 449 T CA 0.070 62.288 62.100 0.198 0.000 1.067 449 T CB -0.416 68.516 68.868 0.107 0.000 0.948 449 T HN -0.190 nan 8.240 nan 0.000 0.496 450 V N 3.407 123.329 119.914 0.015 0.000 2.326 450 V HA 0.333 4.454 4.120 0.002 0.000 0.281 450 V C -1.827 174.006 176.094 -0.436 0.000 1.015 450 V CA -1.844 60.345 62.300 -0.185 0.000 0.823 450 V CB 1.802 33.595 31.823 -0.050 0.000 1.009 450 V HN 0.036 nan 8.190 nan 0.000 0.436 451 P HA -0.057 nan 4.420 nan 0.000 0.217 451 P C 0.343 177.256 177.300 -0.646 0.000 1.150 451 P CA 0.848 63.164 63.100 -1.307 0.000 0.832 451 P CB 0.253 31.087 31.700 -1.444 0.000 0.787 452 R N -1.333 118.903 120.500 -0.440 0.000 2.808 452 R HA 0.392 4.733 4.340 0.002 0.000 0.254 452 R C -1.745 174.444 176.300 -0.186 0.000 1.145 452 R CA -0.502 55.427 56.100 -0.285 0.000 1.066 452 R CB 0.696 30.837 30.300 -0.264 0.000 1.268 452 R HN -0.245 nan 8.270 nan 0.000 0.447 453 K N 3.665 124.012 120.400 -0.089 0.000 2.578 453 K HA 0.527 4.848 4.320 0.002 0.000 0.250 453 K C -1.512 175.058 176.600 -0.050 0.000 0.955 453 K CA -0.708 55.557 56.287 -0.036 0.000 0.825 453 K CB 1.859 34.416 32.500 0.095 0.000 1.151 453 K HN 0.336 nan 8.250 nan 0.000 0.432 454 V N 3.562 123.398 119.914 -0.129 0.000 2.357 454 V HA 0.361 4.482 4.120 0.002 0.000 0.284 454 V C -0.228 175.743 176.094 -0.206 0.000 1.018 454 V CA -0.468 61.731 62.300 -0.168 0.000 0.841 454 V CB 1.543 33.236 31.823 -0.216 0.000 0.991 454 V HN 0.806 nan 8.190 nan 0.000 0.437 455 T N 4.242 118.684 114.554 -0.186 0.000 2.912 455 T HA 0.704 5.055 4.350 0.002 0.000 0.288 455 T C -0.668 173.899 174.700 -0.222 0.000 1.030 455 T CA -0.390 61.593 62.100 -0.194 0.000 1.020 455 T CB 1.966 70.748 68.868 -0.145 0.000 1.056 455 T HN 0.342 nan 8.240 nan 0.000 0.480 456 V N 2.531 122.330 119.914 -0.192 0.000 2.483 456 V HA 0.560 4.681 4.120 0.002 0.000 0.297 456 V C -0.290 175.793 176.094 -0.019 0.000 1.027 456 V CA -0.717 61.478 62.300 -0.175 0.000 0.855 456 V CB 2.002 33.581 31.823 -0.407 0.000 0.995 456 V HN 0.968 nan 8.190 nan 0.000 0.424 457 T N 3.925 118.493 114.554 0.024 0.000 2.840 457 T HA 0.336 4.687 4.350 0.002 0.000 0.287 457 T C -0.143 174.601 174.700 0.073 0.000 0.991 457 T CA -0.517 61.605 62.100 0.036 0.000 0.964 457 T CB 0.917 69.778 68.868 -0.011 0.000 0.954 457 T HN 0.550 nan 8.240 nan 0.000 0.438 458 N N 3.325 122.070 118.700 0.075 0.000 2.416 458 N HA 0.143 4.884 4.740 0.002 0.000 0.265 458 N C 0.160 175.692 175.510 0.037 0.000 1.195 458 N CA -0.052 53.034 53.050 0.060 0.000 0.943 458 N CB 0.488 39.012 38.487 0.061 0.000 1.115 458 N HN 0.613 nan 8.380 nan 0.000 0.481 459 I N 2.159 122.746 120.570 0.028 0.000 2.996 459 I HA -0.132 4.039 4.170 0.002 0.000 0.285 459 I C 1.182 177.328 176.117 0.048 0.000 1.173 459 I CA 0.635 61.960 61.300 0.042 0.000 1.396 459 I CB -0.708 37.326 38.000 0.056 0.000 1.470 459 I HN 0.610 nan 8.210 nan 0.000 0.586 460 G N 4.885 113.706 108.800 0.035 0.000 2.587 460 G HA2 -0.239 3.722 3.960 0.002 0.000 0.245 460 G HA3 -0.239 3.722 3.960 0.002 0.000 0.245 460 G C -0.316 174.599 174.900 0.025 0.000 0.959 460 G CA -0.372 44.744 45.100 0.027 0.000 1.268 460 G HN 0.626 nan 8.290 nan 0.000 0.448 461 K N -0.065 120.347 120.400 0.020 0.000 2.213 461 K HA 0.908 5.229 4.320 0.002 0.000 0.254 461 K C 0.483 177.094 176.600 0.019 0.000 1.062 461 K CA -0.477 55.818 56.287 0.013 0.000 0.884 461 K CB 1.943 34.447 32.500 0.005 0.000 1.437 461 K HN 1.875 nan 8.250 nan 0.000 0.464 462 G N 0.879 109.688 108.800 0.014 0.000 2.599 462 G HA2 -0.098 3.863 3.960 0.002 0.000 0.440 462 G HA3 -0.098 3.863 3.960 0.002 0.000 0.440 462 G C -0.962 173.959 174.900 0.035 0.000 1.018 462 G CA -0.759 44.356 45.100 0.026 0.000 1.311 462 G HN 0.257 nan 8.290 nan 0.000 0.604 463 S N 2.128 117.838 115.700 0.018 0.000 2.499 463 S HA 0.559 5.030 4.470 0.002 0.000 0.279 463 S C 0.039 174.668 174.600 0.048 0.000 1.219 463 S CA -0.587 57.618 58.200 0.009 0.000 1.062 463 S CB 1.061 64.234 63.200 -0.044 0.000 0.978 463 S HN 0.676 nan 8.310 nan 0.000 0.489 464 H N 2.702 121.740 119.070 -0.053 0.000 2.638 464 H HA 0.267 4.824 4.556 0.002 0.000 0.317 464 H C -0.880 174.395 175.328 -0.088 0.000 1.006 464 H CA -0.470 55.549 56.048 -0.049 0.000 1.222 464 H CB 0.673 30.427 29.762 -0.013 0.000 1.419 464 H HN 0.435 nan 8.280 nan 0.000 0.489 465 T N 6.419 120.686 114.554 -0.480 0.000 2.834 465 T HA 0.008 4.359 4.350 0.002 0.000 0.298 465 T C 1.356 175.667 174.700 -0.649 0.000 0.966 465 T CA -0.279 61.556 62.100 -0.442 0.000 1.141 465 T CB 0.846 69.554 68.868 -0.267 0.000 0.905 465 T HN 0.519 nan 8.240 nan 0.000 0.535 466 L N 4.264 125.214 121.223 -0.455 0.000 2.357 466 L HA 0.588 4.929 4.340 0.002 0.000 0.211 466 L C 0.022 176.730 176.870 -0.269 0.000 1.075 466 L CA 0.957 55.587 54.840 -0.350 0.000 0.830 466 L CB 0.236 42.116 42.059 -0.297 0.000 0.996 466 L HN 0.602 nan 8.230 nan 0.000 0.467 467 L N -0.738 120.334 121.223 -0.252 0.000 2.506 467 L HA 0.479 4.820 4.340 0.002 0.000 0.257 467 L C -1.644 175.117 176.870 -0.182 0.000 0.964 467 L CA -0.396 54.318 54.840 -0.211 0.000 0.836 467 L CB 1.906 43.829 42.059 -0.227 0.000 1.384 467 L HN 0.024 nan 8.230 nan 0.000 0.410 468 E N 3.280 123.384 120.200 -0.160 0.000 2.313 468 E HA 0.673 5.024 4.350 0.002 0.000 0.280 468 E C -1.532 174.974 176.600 -0.157 0.000 0.898 468 E CA -0.545 55.767 56.400 -0.148 0.000 0.803 468 E CB 1.858 31.484 29.700 -0.124 0.000 1.286 468 E HN 0.822 nan 8.360 nan 0.000 0.401 469 A N 2.846 125.548 122.820 -0.197 0.000 2.286 469 A HA 0.837 5.157 4.320 0.002 0.000 0.286 469 A C -0.109 177.328 177.584 -0.245 0.000 1.097 469 A CA 0.188 52.089 52.037 -0.228 0.000 0.821 469 A CB 1.051 19.875 19.000 -0.293 0.000 1.076 469 A HN 0.697 nan 8.150 nan 0.000 0.490 478 M N 1.547 121.116 119.600 -0.052 0.000 2.690 478 M HA 0.530 5.011 4.480 0.002 0.000 0.302 478 M C -2.606 173.616 176.300 -0.129 0.000 1.234 478 M CA -2.048 53.196 55.300 -0.094 0.000 0.853 478 M CB 1.104 33.650 32.600 -0.090 0.000 1.748 478 M HN 0.483 nan 8.290 nan 0.000 0.469 479 P HA 0.110 nan 4.420 nan 0.000 0.268 479 P C -0.538 176.659 177.300 -0.172 0.000 1.204 479 P CA -0.106 62.889 63.100 -0.175 0.000 0.768 479 P CB 0.418 32.010 31.700 -0.181 0.000 0.842 480 E N 2.497 122.594 120.200 -0.171 0.000 2.360 480 E HA 0.134 4.485 4.350 0.002 0.000 0.269 480 E C -0.769 175.728 176.600 -0.171 0.000 1.022 480 E CA -0.309 55.994 56.400 -0.162 0.000 0.887 480 E CB 0.294 29.901 29.700 -0.156 0.000 0.990 480 E HN 0.307 nan 8.360 nan 0.000 0.426 481 I N 5.126 125.608 120.570 -0.147 0.000 2.330 481 I HA 0.298 4.469 4.170 0.002 0.000 0.289 481 I C 0.261 176.340 176.117 -0.063 0.000 1.001 481 I CA -0.337 60.895 61.300 -0.113 0.000 1.193 481 I CB 1.295 39.208 38.000 -0.145 0.000 1.345 481 I HN 0.350 nan 8.210 nan 0.000 0.461 482 R N 3.822 124.323 120.500 0.001 0.000 2.540 482 R HA 0.742 5.083 4.340 0.002 0.000 0.287 482 R C -0.453 175.898 176.300 0.085 0.000 0.980 482 R CA -0.686 55.455 56.100 0.068 0.000 0.966 482 R CB 1.953 32.348 30.300 0.159 0.000 1.106 482 R HN 0.678 nan 8.270 nan 0.000 0.480 483 T N -1.451 113.087 114.554 -0.028 0.000 2.906 483 T HA 0.858 5.209 4.350 0.002 0.000 0.295 483 T C 0.057 174.457 174.700 -0.500 0.000 1.061 483 T CA -0.715 61.225 62.100 -0.267 0.000 1.000 483 T CB 2.458 71.211 68.868 -0.190 0.000 1.103 483 T HN 0.756 nan 8.240 nan 0.000 0.486 484 G N 0.319 108.457 108.800 -1.104 0.000 2.428 484 G HA2 0.576 4.537 3.960 0.002 0.000 0.305 484 G HA3 0.576 4.537 3.960 0.002 0.000 0.305 484 G C -1.463 173.075 174.900 -0.603 0.000 1.260 484 G CA -0.685 43.977 45.100 -0.730 0.000 0.853 484 G HN 0.899 nan 8.290 nan 0.000 0.480 485 T N 0.584 115.058 114.554 -0.134 0.000 2.876 485 T HA 0.681 5.032 4.350 0.002 0.000 0.289 485 T C -0.141 174.599 174.700 0.066 0.000 1.014 485 T CA -0.212 61.871 62.100 -0.028 0.000 0.986 485 T CB 1.445 70.307 68.868 -0.011 0.000 1.021 485 T HN 0.977 nan 8.240 nan 0.000 0.458 486 I N -1.309 119.281 120.570 0.033 0.000 3.002 486 I HA 0.707 4.878 4.170 0.002 0.000 0.310 486 I C -0.671 175.443 176.117 -0.004 0.000 1.087 486 I CA -1.547 59.768 61.300 0.026 0.000 1.017 486 I CB 1.654 39.663 38.000 0.015 0.000 1.226 486 I HN 0.292 nan 8.210 nan 0.000 0.443 487 M N 2.854 122.465 119.600 0.018 0.000 2.235 487 M HA 0.455 4.936 4.480 0.002 0.000 0.351 487 M C 0.462 176.771 176.300 0.016 0.000 1.178 487 M CA -0.116 55.191 55.300 0.013 0.000 1.143 487 M CB 1.092 33.707 32.600 0.024 0.000 1.530 487 M HN 0.917 nan 8.290 nan 0.000 0.461 488 A N 2.634 125.459 122.820 0.007 0.000 2.325 488 A HA 0.508 4.829 4.320 0.002 0.000 0.260 488 A C 1.210 178.793 177.584 -0.002 0.000 1.133 488 A CA 0.400 52.434 52.037 -0.004 0.000 0.801 488 A CB -0.181 18.800 19.000 -0.031 0.000 1.092 488 A HN 0.962 nan 8.150 nan 0.000 0.504 489 A N -0.453 122.360 122.820 -0.012 0.000 2.172 489 A HA -0.047 4.274 4.320 0.002 0.000 0.216 489 A C 1.309 178.890 177.584 -0.004 0.000 1.154 489 A CA 1.744 53.778 52.037 -0.005 0.000 0.701 489 A CB -0.734 18.262 19.000 -0.006 0.000 0.789 489 A HN 0.850 nan 8.150 nan 0.000 0.465 490 D N -1.748 118.646 120.400 -0.010 0.000 2.347 490 D HA 0.171 4.812 4.640 0.002 0.000 0.215 490 D C 1.289 177.595 176.300 0.010 0.000 0.976 490 D CA 0.938 54.936 54.000 -0.002 0.000 0.884 490 D CB -0.772 40.023 40.800 -0.008 0.000 0.915 490 D HN 0.718 nan 8.370 nan 0.000 0.526 491 G N 0.021 108.829 108.800 0.012 0.000 2.162 491 G HA2 -0.374 3.587 3.960 0.002 0.000 0.260 491 G HA3 -0.374 3.587 3.960 0.002 0.000 0.260 491 G C 0.897 175.812 174.900 0.026 0.000 0.976 491 G CA 0.737 45.849 45.100 0.020 0.000 0.655 491 G HN 0.494 nan 8.290 nan 0.000 0.533 492 Q N -1.386 118.430 119.800 0.028 0.000 2.527 492 Q HA 0.118 4.459 4.340 0.002 0.000 0.252 492 Q C 0.437 176.467 176.000 0.050 0.000 0.827 492 Q CA 0.658 56.485 55.803 0.040 0.000 0.979 492 Q CB 0.741 29.505 28.738 0.043 0.000 1.248 492 Q HN 0.403 nan 8.270 nan 0.000 0.578 493 T N 4.739 119.324 114.554 0.052 0.000 2.794 493 T HA 0.242 4.593 4.350 0.002 0.000 0.296 493 T C -2.572 172.159 174.700 0.051 0.000 0.949 493 T CA -1.152 61.000 62.100 0.088 0.000 1.101 493 T CB 1.028 69.964 68.868 0.113 0.000 0.905 493 T HN 0.001 nan 8.240 nan 0.000 0.516 494 P HA 0.309 nan 4.420 nan 0.000 0.276 494 P C -0.802 176.321 177.300 -0.295 0.000 1.235 494 P CA -0.316 62.694 63.100 -0.150 0.000 0.772 494 P CB 0.572 32.168 31.700 -0.174 0.000 0.871 495 L N 4.106 125.131 121.223 -0.330 0.000 2.334 495 L HA 0.469 4.810 4.340 0.002 0.000 0.276 495 L C -0.078 176.502 176.870 -0.483 0.000 1.014 495 L CA -1.070 53.606 54.840 -0.274 0.000 0.815 495 L CB 1.147 43.202 42.059 -0.007 0.000 1.268 495 L HN 0.333 nan 8.230 nan 0.000 0.428 496 Y N 1.678 122.020 120.300 0.069 0.000 2.342 496 Y HA 0.467 5.019 4.550 0.002 0.000 0.334 496 Y C -0.230 175.655 175.900 -0.025 0.000 1.067 496 Y CA -0.695 57.384 58.100 -0.035 0.000 1.128 496 Y CB 1.341 39.761 38.460 -0.066 0.000 1.200 496 Y HN 0.426 nan 8.280 nan 0.000 0.464 497 Y N 0.815 121.123 120.300 0.014 0.000 2.570 497 Y HA 0.739 5.290 4.550 0.002 0.000 0.345 497 Y C -1.300 174.525 175.900 -0.125 0.000 1.014 497 Y CA -2.045 55.944 58.100 -0.186 0.000 1.063 497 Y CB 1.554 39.822 38.460 -0.319 0.000 1.272 497 Y HN 0.510 nan 8.280 nan 0.000 0.477 498 K N 2.859 123.284 120.400 0.042 0.000 2.426 498 K HA 0.735 5.056 4.320 0.002 0.000 0.251 498 K C -2.499 174.201 176.600 0.167 0.000 0.941 498 K CA -0.889 55.444 56.287 0.075 0.000 0.808 498 K CB 2.556 35.047 32.500 -0.014 0.000 1.265 498 K HN 0.836 nan 8.250 nan 0.000 0.432 499 L N 1.448 122.819 121.223 0.247 0.000 2.441 499 L HA 0.369 4.710 4.340 0.002 0.000 0.270 499 L C -1.418 175.522 176.870 0.117 0.000 0.973 499 L CA 0.119 55.146 54.840 0.312 0.000 0.842 499 L CB 2.192 44.574 42.059 0.538 0.000 1.239 499 L HN 0.768 nan 8.230 nan 0.000 0.406 500 T N 6.081 120.668 114.554 0.055 0.000 2.733 500 T HA 0.486 4.837 4.350 0.002 0.000 0.294 500 T C 0.287 174.912 174.700 -0.125 0.000 0.956 500 T CA -0.488 61.575 62.100 -0.062 0.000 0.987 500 T CB 0.491 69.309 68.868 -0.084 0.000 0.920 500 T HN 0.407 nan 8.240 nan 0.000 0.470 501 M N 3.977 123.429 119.600 -0.247 0.000 2.255 501 M HA 0.328 4.809 4.480 0.002 0.000 0.336 501 M C -2.277 173.801 176.300 -0.370 0.000 1.135 501 M CA -3.321 51.701 55.300 -0.463 0.000 1.145 501 M CB -0.256 31.935 32.600 -0.683 0.000 1.473 501 M HN 0.178 nan 8.290 nan 0.000 0.462 502 P HA 0.017 nan 4.420 nan 0.000 0.266 502 P C -0.327 176.833 177.300 -0.234 0.000 1.193 502 P CA -0.437 62.480 63.100 -0.305 0.000 0.770 502 P CB 0.236 31.649 31.700 -0.478 0.000 0.836 503 L N 5.498 126.589 121.223 -0.219 0.000 2.540 503 L HA -0.003 4.338 4.340 0.002 0.000 0.276 503 L C 0.650 177.337 176.870 -0.305 0.000 1.212 503 L CA 0.718 55.353 54.840 -0.342 0.000 0.893 503 L CB -1.032 40.758 42.059 -0.448 0.000 1.138 503 L HN 0.528 nan 8.230 nan 0.000 0.491 504 H N 2.365 121.427 119.070 -0.014 0.000 2.862 504 H HA -0.277 4.280 4.556 0.002 0.000 0.290 504 H C 0.077 175.405 175.328 0.001 0.000 1.211 504 H CA 0.784 56.831 56.048 -0.002 0.000 1.140 504 H CB -2.544 27.221 29.762 0.006 0.000 1.341 504 H HN 0.565 nan 8.280 nan 0.000 0.392 505 F N 2.508 122.376 119.950 -0.135 0.000 2.604 505 F HA 0.097 4.625 4.527 0.002 0.000 0.390 505 F C 0.567 176.320 175.800 -0.079 0.000 1.053 505 F CA 0.287 58.122 58.000 -0.274 0.000 1.256 505 F CB 0.503 39.220 39.000 -0.472 0.000 0.996 505 F HN 0.172 nan 8.300 nan 0.000 0.564 506 D N 8.277 128.204 120.400 -0.788 0.000 2.471 506 D HA 0.318 4.959 4.640 0.002 0.000 0.245 506 D C -2.099 173.673 176.300 -0.881 0.000 1.116 506 D CA -2.203 51.419 54.000 -0.631 0.000 0.853 506 D CB 2.084 42.772 40.800 -0.187 0.000 1.123 506 D HN 0.202 nan 8.370 nan 0.000 0.540 507 P HA -0.036 nan 4.420 nan 0.000 0.222 507 P C 0.878 178.134 177.300 -0.073 0.000 1.147 507 P CA 0.692 63.574 63.100 -0.364 0.000 0.790 507 P CB 0.303 31.948 31.700 -0.093 0.000 0.780 508 A N -1.354 121.399 122.820 -0.111 0.000 2.168 508 A HA -0.052 4.269 4.320 0.002 0.000 0.215 508 A C 1.135 178.688 177.584 -0.053 0.000 1.152 508 A CA 0.968 52.973 52.037 -0.053 0.000 0.716 508 A CB -0.670 18.291 19.000 -0.065 0.000 0.794 508 A HN 0.171 nan 8.150 nan 0.000 0.465 509 K N 0.146 120.501 120.400 -0.076 0.000 2.106 509 K HA 0.420 4.741 4.320 0.002 0.000 0.246 509 K C -0.440 176.085 176.600 -0.126 0.000 0.987 509 K CA -0.662 55.511 56.287 -0.189 0.000 0.904 509 K CB 0.847 33.115 32.500 -0.386 0.000 1.071 509 K HN -0.055 nan 8.250 nan 0.000 0.453 510 K N 1.877 122.120 120.400 -0.263 0.000 2.159 510 K HA 0.341 4.662 4.320 0.002 0.000 0.266 510 K C -1.142 175.276 176.600 -0.304 0.000 0.975 510 K CA -0.452 55.767 56.287 -0.112 0.000 0.865 510 K CB 1.149 33.593 32.500 -0.094 0.000 1.087 510 K HN 0.462 nan 8.250 nan 0.000 0.446 511 Y N 1.952 122.344 120.300 0.152 0.000 2.512 511 Y HA 0.302 4.853 4.550 0.002 0.000 0.348 511 Y C -1.954 173.959 175.900 0.021 0.000 0.990 511 Y CA -2.117 56.043 58.100 0.101 0.000 1.033 511 Y CB 1.981 40.597 38.460 0.261 0.000 1.259 511 Y HN 0.461 nan 8.280 nan 0.000 0.461 512 P HA 0.235 nan 4.420 nan 0.000 0.274 512 P C -1.126 176.246 177.300 0.118 0.000 1.237 512 P CA -0.198 62.902 63.100 0.000 0.000 0.793 512 P CB 2.334 33.914 31.700 -0.199 0.000 0.977 513 V N 2.623 122.633 119.914 0.159 0.000 2.888 513 V HA 0.510 4.631 4.120 0.002 0.000 0.309 513 V C -0.992 175.219 176.094 0.196 0.000 1.114 513 V CA -0.983 61.427 62.300 0.183 0.000 0.940 513 V CB 1.837 33.728 31.823 0.113 0.000 1.021 513 V HN 0.328 nan 8.190 nan 0.000 0.426 514 I N 6.086 126.769 120.570 0.189 0.000 2.406 514 I HA 0.441 4.612 4.170 0.002 0.000 0.290 514 I C -0.356 175.949 176.117 0.313 0.000 0.999 514 I CA -0.961 60.445 61.300 0.177 0.000 1.124 514 I CB 2.064 40.030 38.000 -0.056 0.000 1.289 514 I HN 0.331 nan 8.210 nan 0.000 0.441 515 V N 6.813 126.952 119.914 0.375 0.000 2.427 515 V HA 0.007 4.128 4.120 0.002 0.000 0.268 515 V C -0.457 175.854 176.094 0.361 0.000 1.046 515 V CA -0.225 62.330 62.300 0.424 0.000 0.970 515 V CB 0.297 32.387 31.823 0.445 0.000 1.001 515 V HN 0.466 nan 8.190 nan 0.000 0.476 516 Y N 5.675 126.146 120.300 0.284 0.000 2.383 516 Y HA 0.583 5.134 4.550 0.002 0.000 0.344 516 Y C -0.190 175.798 175.900 0.146 0.000 0.986 516 Y CA -0.236 58.004 58.100 0.234 0.000 1.175 516 Y CB 1.493 40.137 38.460 0.307 0.000 1.152 516 Y HN 0.454 nan 8.280 nan 0.000 0.511 517 V N 8.414 128.036 119.914 -0.486 0.000 2.680 517 V HA 0.334 4.455 4.120 0.002 0.000 0.309 517 V C -1.258 174.654 176.094 -0.303 0.000 1.052 517 V CA -0.293 61.860 62.300 -0.245 0.000 0.908 517 V CB 1.634 33.368 31.823 -0.148 0.000 1.001 517 V HN 0.917 nan 8.190 nan 0.000 0.431 518 Y N 4.571 124.783 120.300 -0.148 0.000 3.127 518 Y HA 0.554 5.105 4.550 0.002 0.000 0.196 518 Y C 1.691 177.625 175.900 0.056 0.000 0.920 518 Y CA 1.292 59.375 58.100 -0.028 0.000 1.664 518 Y CB 0.361 38.849 38.460 0.047 0.000 1.399 518 Y HN 0.928 nan 8.280 nan 0.000 0.435 519 G N 0.420 109.219 108.800 -0.003 0.000 2.176 519 G HA2 -0.185 3.776 3.960 0.002 0.000 0.253 519 G HA3 -0.185 3.776 3.960 0.002 0.000 0.253 519 G C 0.528 175.125 174.900 -0.504 0.000 0.979 519 G CA 0.309 45.334 45.100 -0.125 0.000 0.641 519 G HN 0.930 nan 8.290 nan 0.000 0.530 520 G N 0.079 108.329 108.800 -0.918 0.000 2.462 520 G HA2 0.736 4.697 3.960 0.002 0.000 0.319 520 G HA3 0.736 4.697 3.960 0.002 0.000 0.319 520 G C -1.908 172.659 174.900 -0.556 0.000 1.171 520 G CA -0.873 43.325 45.100 -1.504 0.000 0.920 520 G HN 0.192 nan 8.290 nan 0.000 0.499 521 P HA 0.042 nan 4.420 nan 0.000 0.270 521 P C 0.003 177.236 177.300 -0.110 0.000 1.223 521 P CA 0.326 63.140 63.100 -0.477 0.000 0.785 521 P CB 0.454 31.538 31.700 -1.028 0.000 0.923 522 H N -2.908 116.182 119.070 0.034 0.000 4.123 522 H HA -0.184 4.373 4.556 0.002 0.000 0.146 522 H C 0.372 175.764 175.328 0.107 0.000 0.800 522 H CA 1.521 57.630 56.048 0.102 0.000 1.256 522 H CB -1.936 27.910 29.762 0.141 0.000 0.848 522 H HN 0.699 nan 8.280 nan 0.000 0.462 523 A N 0.759 123.710 122.820 0.218 0.000 2.356 523 A HA 0.662 4.983 4.320 0.002 0.000 0.323 523 A C -0.051 177.619 177.584 0.143 0.000 1.119 523 A CA -0.284 51.840 52.037 0.146 0.000 0.790 523 A CB 2.326 21.346 19.000 0.033 0.000 1.273 523 A HN 0.208 nan 8.150 nan 0.000 0.452 524 Q N 1.791 121.654 119.800 0.106 0.000 2.295 524 Q HA 0.460 4.801 4.340 0.002 0.000 0.259 524 Q C -1.334 174.718 176.000 0.086 0.000 0.966 524 Q CA -0.577 55.290 55.803 0.107 0.000 0.763 524 Q CB 1.145 29.936 28.738 0.088 0.000 1.283 524 Q HN 0.578 nan 8.270 nan 0.000 0.445 525 L N 3.294 124.579 121.223 0.104 0.000 2.529 525 L HA 0.228 4.569 4.340 0.002 0.000 0.223 525 L C -0.075 176.830 176.870 0.058 0.000 1.113 525 L CA 0.619 55.513 54.840 0.089 0.000 0.861 525 L CB 1.233 43.382 42.059 0.150 0.000 1.012 525 L HN 0.430 nan 8.230 nan 0.000 0.461 526 V N 0.047 119.995 119.914 0.057 0.000 2.304 526 V HA 0.508 4.629 4.120 0.002 0.000 0.278 526 V C 0.061 176.156 176.094 0.002 0.000 1.018 526 V CA -0.366 61.950 62.300 0.026 0.000 0.814 526 V CB 0.913 32.763 31.823 0.045 0.000 1.021 526 V HN 0.353 nan 8.190 nan 0.000 0.440 527 T N 0.635 115.177 114.554 -0.021 0.000 2.887 527 T HA 0.501 4.852 4.350 0.002 0.000 0.292 527 T C -0.307 174.359 174.700 -0.057 0.000 1.087 527 T CA -0.954 61.125 62.100 -0.036 0.000 1.009 527 T CB 2.157 71.019 68.868 -0.010 0.000 1.203 527 T HN 0.374 nan 8.240 nan 0.000 0.518 528 K N 2.271 122.636 120.400 -0.059 0.000 2.307 528 K HA 0.285 4.606 4.320 0.002 0.000 0.240 528 K C 0.031 176.583 176.600 -0.081 0.000 1.214 528 K CA -0.324 55.924 56.287 -0.065 0.000 1.149 528 K CB -0.796 31.677 32.500 -0.046 0.000 1.668 528 K HN 0.816 nan 8.250 nan 0.000 0.314 529 T N -2.090 112.419 114.554 -0.075 0.000 2.938 529 T HA 0.154 4.505 4.350 0.002 0.000 0.285 529 T C 0.861 175.553 174.700 -0.014 0.000 1.028 529 T CA -1.025 61.033 62.100 -0.070 0.000 1.005 529 T CB 0.965 69.805 68.868 -0.046 0.000 1.157 529 T HN 0.592 nan 8.240 nan 0.000 0.550 530 W N 2.176 123.365 121.300 -0.186 0.000 2.413 530 W HA -0.042 4.619 4.660 0.002 0.000 0.315 530 W C 0.995 177.450 176.519 -0.107 0.000 1.186 530 W CA 0.646 57.902 57.345 -0.149 0.000 1.326 530 W CB 0.070 29.433 29.460 -0.162 0.000 1.153 530 W HN 0.777 nan 8.180 nan 0.000 0.489 536 G N -0.614 108.236 108.800 0.084 0.000 2.155 536 G HA2 -0.375 3.586 3.960 0.002 0.000 0.257 536 G HA3 -0.375 3.586 3.960 0.002 0.000 0.257 536 G C 1.116 176.106 174.900 0.150 0.000 0.983 536 G CA 1.053 46.206 45.100 0.089 0.000 0.676 536 G HN 1.173 nan 8.290 nan 0.000 0.528 537 W N 1.908 123.157 121.300 -0.085 0.000 2.388 537 W HA -0.037 4.624 4.660 0.001 0.000 0.294 537 W C 2.180 178.616 176.519 -0.139 0.000 1.212 537 W CA 2.075 59.254 57.345 -0.277 0.000 1.271 537 W CB 0.026 29.114 29.460 -0.619 0.000 1.126 537 W HN 0.426 nan 8.180 nan 0.000 0.535 538 D N 0.525 120.827 120.400 -0.163 0.000 2.123 538 D HA -0.289 4.352 4.640 0.002 0.000 0.196 538 D C 2.014 178.135 176.300 -0.300 0.000 0.992 538 D CA 2.148 55.974 54.000 -0.290 0.000 0.833 538 D CB -1.137 39.596 40.800 -0.112 0.000 0.954 538 D HN 0.353 nan 8.370 nan 0.000 0.455 539 I N -0.346 120.117 120.570 -0.177 0.000 2.252 539 I HA -0.226 3.945 4.170 0.002 0.000 0.245 539 I C 2.684 178.747 176.117 -0.089 0.000 1.102 539 I CA 0.925 62.149 61.300 -0.127 0.000 1.385 539 I CB -0.434 37.518 38.000 -0.080 0.000 1.064 539 I HN -0.015 nan 8.210 nan 0.000 0.414 540 Y N 0.544 120.697 120.300 -0.244 0.000 2.145 540 Y HA -0.329 4.222 4.550 0.002 0.000 0.286 540 Y C 2.718 178.426 175.900 -0.321 0.000 1.145 540 Y CA 1.163 59.129 58.100 -0.223 0.000 1.148 540 Y CB 0.108 38.484 38.460 -0.139 0.000 0.981 540 Y HN 0.036 nan 8.280 nan 0.000 0.507 541 M N 0.244 119.445 119.600 -0.664 0.000 2.108 541 M HA -0.203 4.278 4.480 0.002 0.000 0.261 541 M C 2.472 178.571 176.300 -0.335 0.000 1.066 541 M CA 1.682 56.558 55.300 -0.707 0.000 1.107 541 M CB -1.640 30.345 32.600 -1.026 0.000 1.356 541 M HN 0.463 nan 8.290 nan 0.000 0.406 542 A N -0.788 121.869 122.820 -0.272 0.000 1.969 542 A HA -0.180 4.141 4.320 0.002 0.000 0.218 542 A C 2.045 179.549 177.584 -0.133 0.000 1.169 542 A CA 1.298 53.236 52.037 -0.165 0.000 0.635 542 A CB -0.648 18.244 19.000 -0.180 0.000 0.810 542 A HN 0.625 nan 8.150 nan 0.000 0.445 543 Q N -0.480 119.241 119.800 -0.132 0.000 2.364 543 Q HA -0.063 4.278 4.340 0.002 0.000 0.207 543 Q C 1.063 177.029 176.000 -0.056 0.000 0.970 543 Q CA 1.039 56.791 55.803 -0.085 0.000 0.888 543 Q CB -0.036 28.703 28.738 0.000 0.000 0.951 543 Q HN 0.603 nan 8.270 nan 0.000 0.469 544 K N -0.869 119.483 120.400 -0.081 0.000 2.387 544 K HA 0.148 4.469 4.320 0.002 0.000 0.198 544 K C 0.549 177.249 176.600 0.167 0.000 1.022 544 K CA 0.492 56.783 56.287 0.007 0.000 1.128 544 K CB 1.005 33.435 32.500 -0.116 0.000 0.853 544 K HN 0.250 nan 8.250 nan 0.000 0.523 545 G N 1.209 110.070 108.800 0.101 0.000 2.131 545 G HA2 -0.255 3.706 3.960 0.002 0.000 0.223 545 G HA3 -0.255 3.706 3.960 0.002 0.000 0.223 545 G C -0.685 174.224 174.900 0.016 0.000 0.990 545 G CA -0.365 44.788 45.100 0.087 0.000 0.671 545 G HN 0.239 nan 8.290 nan 0.000 0.521 546 Y N 0.623 120.899 120.300 -0.040 0.000 2.341 546 Y HA 0.678 5.229 4.550 0.002 0.000 0.338 546 Y C 0.646 176.499 175.900 -0.078 0.000 0.965 546 Y CA -0.391 57.690 58.100 -0.031 0.000 1.108 546 Y CB 1.893 40.278 38.460 -0.124 0.000 1.180 546 Y HN 0.487 nan 8.280 nan 0.000 0.458 547 A N 2.947 125.831 122.820 0.106 0.000 2.425 547 A HA 0.604 4.925 4.320 0.002 0.000 0.249 547 A C -0.764 176.892 177.584 0.121 0.000 1.084 547 A CA -0.362 51.725 52.037 0.085 0.000 0.781 547 A CB 0.196 19.342 19.000 0.243 0.000 1.019 547 A HN 0.532 nan 8.150 nan 0.000 0.490 548 V N 2.533 122.505 119.914 0.096 0.000 2.487 548 V HA 0.485 4.606 4.120 0.002 0.000 0.298 548 V C -0.830 175.437 176.094 0.288 0.000 1.028 548 V CA -0.278 62.118 62.300 0.159 0.000 0.860 548 V CB 1.151 32.996 31.823 0.036 0.000 0.991 548 V HN 0.778 nan 8.190 nan 0.000 0.427 549 F N 3.360 123.428 119.950 0.196 0.000 2.482 549 F HA 0.784 5.312 4.527 0.002 0.000 0.331 549 F C 0.032 175.979 175.800 0.246 0.000 1.115 549 F CA 0.080 58.205 58.000 0.208 0.000 0.955 549 F CB 2.109 41.217 39.000 0.180 0.000 1.136 549 F HN 0.471 nan 8.300 nan 0.000 0.452 550 T N 5.596 119.914 114.554 -0.392 0.000 2.886 550 T HA 0.581 4.932 4.350 0.002 0.000 0.292 550 T C -1.641 172.755 174.700 -0.506 0.000 1.012 550 T CA -0.642 61.312 62.100 -0.243 0.000 0.982 550 T CB 1.775 70.683 68.868 0.066 0.000 1.018 550 T HN 0.534 nan 8.240 nan 0.000 0.451 551 V N 2.441 122.210 119.914 -0.243 0.000 2.638 551 V HA 0.404 4.525 4.120 0.002 0.000 0.306 551 V C -1.233 174.897 176.094 0.060 0.000 1.052 551 V CA -0.868 61.379 62.300 -0.088 0.000 0.885 551 V CB 1.988 33.821 31.823 0.016 0.000 0.999 551 V HN 0.861 nan 8.190 nan 0.000 0.424 552 D N 5.016 125.484 120.400 0.113 0.000 2.416 552 D HA 0.230 4.871 4.640 0.002 0.000 0.240 552 D C 0.565 176.998 176.300 0.221 0.000 1.250 552 D CA 0.318 54.424 54.000 0.178 0.000 0.967 552 D CB 0.806 41.732 40.800 0.209 0.000 1.059 552 D HN 0.725 nan 8.370 nan 0.000 0.512 553 S N 2.097 117.876 115.700 0.130 0.000 2.608 553 S HA 0.297 4.768 4.470 0.002 0.000 0.261 553 S C 0.732 175.280 174.600 -0.087 0.000 1.314 553 S CA -0.835 57.387 58.200 0.037 0.000 0.992 553 S CB 1.524 64.720 63.200 -0.006 0.000 0.935 553 S HN 0.304 nan 8.310 nan 0.000 0.564 554 R N 0.094 120.350 120.500 -0.406 0.000 2.679 554 R HA 0.406 4.747 4.340 0.002 0.000 0.268 554 R C 1.512 177.534 176.300 -0.463 0.000 1.044 554 R CA 1.037 56.567 56.100 -0.951 0.000 1.105 554 R CB -0.085 29.692 30.300 -0.871 0.000 0.989 554 R HN 1.075 nan 8.270 nan 0.000 0.447 555 G N 0.687 109.251 108.800 -0.392 0.000 2.313 555 G HA2 -0.319 3.642 3.960 0.002 0.000 0.215 555 G HA3 -0.319 3.642 3.960 0.002 0.000 0.215 555 G C 0.207 175.051 174.900 -0.094 0.000 1.023 555 G CA 0.071 45.035 45.100 -0.227 0.000 0.626 555 G HN 0.725 nan 8.290 nan 0.000 0.503 556 S N 0.841 116.600 115.700 0.099 0.000 2.626 556 S HA 0.802 5.273 4.470 0.002 0.000 0.257 556 S C 0.640 175.388 174.600 0.247 0.000 1.288 556 S CA 0.699 59.010 58.200 0.185 0.000 0.980 556 S CB 1.590 64.937 63.200 0.245 0.000 0.975 556 S HN 1.978 nan 8.310 nan 0.000 0.577 557 A N -0.085 122.820 122.820 0.142 0.000 2.256 557 A HA 0.686 5.007 4.320 0.002 0.000 0.318 557 A C 0.445 178.049 177.584 0.034 0.000 1.103 557 A CA -0.641 51.450 52.037 0.090 0.000 0.860 557 A CB -0.580 18.489 19.000 0.115 0.000 1.182 557 A HN 1.156 nan 8.150 nan 0.000 0.501 558 N N -1.150 117.577 118.700 0.045 0.000 2.741 558 N HA -0.142 4.599 4.740 0.002 0.000 0.251 558 N C 0.170 175.686 175.510 0.011 0.000 1.112 558 N CA 0.849 53.934 53.050 0.059 0.000 0.750 558 N CB -0.566 37.973 38.487 0.086 0.000 1.119 558 N HN 0.515 nan 8.380 nan 0.000 0.561 559 R N 0.314 120.742 120.500 -0.120 0.000 2.565 559 R HA 0.352 4.693 4.340 0.002 0.000 0.347 559 R C 0.999 177.147 176.300 -0.254 0.000 1.010 559 R CA 0.610 56.563 56.100 -0.245 0.000 1.126 559 R CB 0.498 30.146 30.300 -1.086 0.000 1.331 559 R HN 0.371 nan 8.270 nan 0.000 0.552 560 G N 0.116 108.703 108.800 -0.356 0.000 2.758 560 G HA2 -0.233 3.728 3.960 0.002 0.000 0.686 560 G HA3 -0.233 3.728 3.960 0.002 0.000 0.686 560 G C 0.662 175.251 174.900 -0.518 0.000 1.389 560 G CA -0.306 44.229 45.100 -0.942 0.000 0.845 560 G HN 0.172 nan 8.290 nan 0.000 0.572 561 A N 0.285 122.770 122.820 -0.558 0.000 1.898 561 A HA 0.346 4.667 4.320 0.002 0.000 0.216 561 A C 2.979 180.419 177.584 -0.241 0.000 1.181 561 A CA 3.292 55.142 52.037 -0.312 0.000 0.620 561 A CB -0.922 17.903 19.000 -0.292 0.000 0.819 561 A HN 2.521 nan 8.150 nan 0.000 0.442 562 A N -1.063 121.601 122.820 -0.260 0.000 1.908 562 A HA -0.121 4.200 4.320 0.002 0.000 0.218 562 A C 2.079 179.625 177.584 -0.064 0.000 1.181 562 A CA 1.655 53.612 52.037 -0.133 0.000 0.627 562 A CB -0.786 18.171 19.000 -0.071 0.000 0.818 562 A HN 0.709 nan 8.150 nan 0.000 0.445 563 F N 0.552 120.393 119.950 -0.183 0.000 2.171 563 F HA -0.168 4.360 4.527 0.002 0.000 0.300 563 F C 2.255 177.982 175.800 -0.121 0.000 1.090 563 F CA 2.203 60.134 58.000 -0.116 0.000 1.293 563 F CB -0.024 38.922 39.000 -0.091 0.000 1.013 563 F HN 0.456 nan 8.300 nan 0.000 0.486 564 E N -0.266 119.980 120.200 0.077 0.000 2.051 564 E HA -0.200 4.151 4.350 0.002 0.000 0.189 564 E C 1.957 178.498 176.600 -0.099 0.000 0.979 564 E CA 0.992 57.386 56.400 -0.010 0.000 0.803 564 E CB -0.220 29.498 29.700 0.030 0.000 0.761 564 E HN 0.559 nan 8.360 nan 0.000 0.451 565 Q N 0.351 120.055 119.800 -0.160 0.000 2.472 565 Q HA -0.029 4.312 4.340 0.002 0.000 0.208 565 Q C 2.076 177.883 176.000 -0.321 0.000 0.958 565 Q CA 0.278 55.910 55.803 -0.285 0.000 0.932 565 Q CB 0.319 28.704 28.738 -0.587 0.000 1.007 565 Q HN 0.193 nan 8.270 nan 0.000 0.508 566 V N 1.942 121.718 119.914 -0.231 0.000 2.546 566 V HA -0.234 3.887 4.120 0.002 0.000 0.254 566 V C 1.948 177.957 176.094 -0.142 0.000 1.076 566 V CA 1.739 63.931 62.300 -0.182 0.000 1.087 566 V CB -0.406 31.310 31.823 -0.178 0.000 0.674 566 V HN 0.558 nan 8.190 nan 0.000 0.470 567 I N -2.158 118.327 120.570 -0.142 0.000 2.830 567 I HA -0.030 4.141 4.170 0.002 0.000 0.263 567 I C 1.466 177.526 176.117 -0.094 0.000 1.230 567 I CA 0.515 61.732 61.300 -0.138 0.000 1.480 567 I CB -0.862 37.022 38.000 -0.193 0.000 1.095 567 I HN 0.341 nan 8.210 nan 0.000 0.455 568 H N 4.038 123.042 119.070 -0.110 0.000 3.167 568 H HA -0.051 4.506 4.556 0.002 0.000 0.306 568 H C 0.414 175.767 175.328 0.041 0.000 0.965 568 H CA 0.982 57.030 56.048 0.001 0.000 1.408 568 H CB 0.349 30.107 29.762 -0.006 0.000 1.406 568 H HN 0.423 nan 8.280 nan 0.000 0.576 569 R N 2.407 122.699 120.500 -0.346 0.000 3.977 569 R HA -0.195 4.146 4.340 0.002 0.000 0.428 569 R C 0.110 176.492 176.300 0.136 0.000 1.079 569 R CA 1.584 57.641 56.100 -0.073 0.000 1.269 569 R CB -0.827 29.365 30.300 -0.180 0.000 1.856 569 R HN 0.729 nan 8.270 nan 0.000 0.551 570 R N 0.595 121.040 120.500 -0.091 0.000 2.635 570 R HA 0.266 4.607 4.340 0.002 0.000 0.393 570 R C -0.329 175.811 176.300 -0.266 0.000 1.070 570 R CA -0.444 55.624 56.100 -0.054 0.000 1.118 570 R CB 0.647 30.928 30.300 -0.032 0.000 1.341 570 R HN 0.000 nan 8.270 nan 0.000 0.628 571 L N 0.370 121.109 121.223 -0.806 0.000 2.525 571 L HA 0.003 4.344 4.340 0.002 0.000 0.278 571 L C 1.476 178.253 176.870 -0.154 0.000 1.218 571 L CA 1.336 55.723 54.840 -0.755 0.000 0.878 571 L CB 0.234 41.292 42.059 -1.669 0.000 1.127 571 L HN 0.716 nan 8.230 nan 0.000 0.492 572 G N 1.502 110.344 108.800 0.070 0.000 2.363 572 G HA2 -0.325 3.636 3.960 0.002 0.000 0.238 572 G HA3 -0.325 3.636 3.960 0.002 0.000 0.238 572 G C 0.884 175.782 174.900 -0.004 0.000 1.062 572 G CA 0.536 45.688 45.100 0.087 0.000 0.629 572 G HN 0.671 nan 8.290 nan 0.000 0.514 573 Q N -0.263 119.532 119.800 -0.008 0.000 1.967 573 Q HA -0.031 4.310 4.340 0.002 0.000 0.202 573 Q C 2.769 178.762 176.000 -0.011 0.000 0.985 573 Q CA 2.202 58.003 55.803 -0.002 0.000 0.839 573 Q CB -0.443 28.297 28.738 0.003 0.000 0.906 573 Q HN 0.544 nan 8.270 nan 0.000 0.423 574 T N 1.115 115.644 114.554 -0.042 0.000 2.777 574 T HA -0.135 4.216 4.350 0.002 0.000 0.266 574 T C 1.553 176.217 174.700 -0.061 0.000 1.040 574 T CA 1.530 63.594 62.100 -0.061 0.000 1.141 574 T CB -0.212 68.592 68.868 -0.107 0.000 0.868 574 T HN 0.263 nan 8.240 nan 0.000 0.444 575 E N 1.285 121.449 120.200 -0.060 0.000 2.070 575 E HA -0.110 4.240 4.350 0.002 0.000 0.197 575 E C 2.152 178.741 176.600 -0.019 0.000 1.004 575 E CA 1.316 57.689 56.400 -0.045 0.000 0.805 575 E CB -0.354 29.346 29.700 -0.000 0.000 0.744 575 E HN 0.453 nan 8.360 nan 0.000 0.451 576 M N -0.050 119.545 119.600 -0.009 0.000 2.132 576 M HA -0.086 4.395 4.480 0.002 0.000 0.263 576 M C 2.402 178.738 176.300 0.059 0.000 1.065 576 M CA 1.334 56.652 55.300 0.031 0.000 1.122 576 M CB -0.272 32.365 32.600 0.062 0.000 1.365 576 M HN 0.211 nan 8.290 nan 0.000 0.411 577 A N 0.623 123.471 122.820 0.046 0.000 1.908 577 A HA -0.211 4.110 4.320 0.002 0.000 0.218 577 A C 1.678 179.270 177.584 0.013 0.000 1.181 577 A CA 2.196 54.253 52.037 0.034 0.000 0.627 577 A CB -0.752 18.260 19.000 0.020 0.000 0.818 577 A HN 0.389 nan 8.150 nan 0.000 0.445 578 D N -0.640 119.761 120.400 0.001 0.000 2.144 578 D HA -0.103 4.538 4.640 0.002 0.000 0.200 578 D C 2.173 178.506 176.300 0.056 0.000 0.978 578 D CA 1.025 55.030 54.000 0.010 0.000 0.833 578 D CB -0.307 40.478 40.800 -0.026 0.000 0.961 578 D HN 0.362 nan 8.370 nan 0.000 0.470 579 Q N -0.275 119.564 119.800 0.065 0.000 2.170 579 Q HA -0.062 4.279 4.340 0.002 0.000 0.203 579 Q C 2.004 178.080 176.000 0.127 0.000 0.976 579 Q CA 0.757 56.636 55.803 0.126 0.000 0.858 579 Q CB -0.206 28.593 28.738 0.102 0.000 0.907 579 Q HN 0.335 nan 8.270 nan 0.000 0.433 580 M N -0.640 118.985 119.600 0.043 0.000 2.296 580 M HA -0.104 4.377 4.480 0.002 0.000 0.265 580 M C 2.244 178.529 176.300 -0.025 0.000 1.064 580 M CA 0.604 55.877 55.300 -0.044 0.000 1.109 580 M CB -1.281 31.208 32.600 -0.186 0.000 1.396 580 M HN 0.215 nan 8.290 nan 0.000 0.430 581 C N 0.128 119.439 119.300 0.018 0.000 2.440 581 C HA -0.044 4.417 4.460 0.002 0.000 0.278 581 C C 2.885 177.914 174.990 0.065 0.000 1.295 581 C CA 0.970 60.008 59.018 0.033 0.000 1.738 581 C CB -1.758 26.008 27.740 0.043 0.000 1.987 581 C HN 0.679 nan 8.230 nan 0.000 0.492 582 G N 0.387 109.264 108.800 0.128 0.000 2.418 582 G HA2 -0.158 3.803 3.960 0.002 0.000 0.217 582 G HA3 -0.158 3.803 3.960 0.002 0.000 0.217 582 G C 1.668 176.498 174.900 -0.118 0.000 1.158 582 G CA 1.335 46.544 45.100 0.182 0.000 0.771 582 G HN 0.397 nan 8.290 nan 0.000 0.545 583 V N 1.429 121.300 119.914 -0.071 0.000 2.307 583 V HA -0.154 3.967 4.120 0.002 0.000 0.245 583 V C 2.598 178.566 176.094 -0.210 0.000 1.045 583 V CA 2.098 64.287 62.300 -0.185 0.000 1.024 583 V CB -0.460 31.252 31.823 -0.187 0.000 0.651 583 V HN 0.277 nan 8.190 nan 0.000 0.449 584 D N -0.161 120.159 120.400 -0.132 0.000 2.133 584 D HA -0.246 4.395 4.640 0.002 0.000 0.192 584 D C 1.899 178.122 176.300 -0.128 0.000 1.001 584 D CA 1.761 55.693 54.000 -0.113 0.000 0.844 584 D CB -0.408 40.362 40.800 -0.050 0.000 0.944 584 D HN 0.500 nan 8.370 nan 0.000 0.447 585 F N 1.199 121.002 119.950 -0.245 0.000 2.134 585 F HA -0.110 4.417 4.527 0.001 0.000 0.299 585 F C 2.163 177.719 175.800 -0.407 0.000 1.097 585 F CA 1.017 58.844 58.000 -0.289 0.000 1.264 585 F CB -0.304 38.507 39.000 -0.314 0.000 1.001 585 F HN -0.113 nan 8.300 nan 0.000 0.479 586 L N 0.292 121.148 121.223 -0.612 0.000 2.046 586 L HA -0.219 4.122 4.340 0.002 0.000 0.208 586 L C 2.410 178.877 176.870 -0.672 0.000 1.077 586 L CA 1.603 55.980 54.840 -0.770 0.000 0.747 586 L CB -0.696 40.999 42.059 -0.607 0.000 0.896 586 L HN 0.049 nan 8.230 nan 0.000 0.432 587 K N -0.213 119.906 120.400 -0.469 0.000 2.280 587 K HA -0.122 4.199 4.320 0.002 0.000 0.202 587 K C 2.157 178.537 176.600 -0.367 0.000 1.047 587 K CA 1.419 57.481 56.287 -0.375 0.000 0.942 587 K CB -0.124 32.217 32.500 -0.266 0.000 0.739 587 K HN 0.346 nan 8.250 nan 0.000 0.457 588 S N 0.436 115.889 115.700 -0.413 0.000 2.561 588 S HA -0.025 4.446 4.470 0.002 0.000 0.225 588 S C 0.578 174.925 174.600 -0.423 0.000 0.977 588 S CA 0.060 58.050 58.200 -0.350 0.000 0.926 588 S CB 0.101 63.132 63.200 -0.282 0.000 0.769 588 S HN 0.064 nan 8.310 nan 0.000 0.533 589 Q N 2.232 121.651 119.800 -0.634 0.000 2.279 589 Q HA 0.282 4.623 4.340 0.002 0.000 0.256 589 Q C 1.303 176.955 176.000 -0.579 0.000 0.937 589 Q CA 0.347 55.731 55.803 -0.699 0.000 0.933 589 Q CB 1.537 29.524 28.738 -1.253 0.000 1.189 589 Q HN 0.540 nan 8.270 nan 0.000 0.417 590 S N 2.588 118.118 115.700 -0.284 0.000 2.399 590 S HA -0.108 4.363 4.470 0.002 0.000 0.231 590 S C 1.278 175.839 174.600 -0.065 0.000 1.022 590 S CA 0.887 59.014 58.200 -0.121 0.000 0.983 590 S CB -0.329 62.883 63.200 0.020 0.000 0.803 590 S HN 0.844 nan 8.310 nan 0.000 0.480 591 W N 1.496 122.842 121.300 0.077 0.000 3.077 591 W HA 0.443 5.104 4.660 0.002 0.000 0.245 591 W C -0.468 176.155 176.519 0.174 0.000 1.316 591 W CA -0.581 56.882 57.345 0.195 0.000 1.537 591 W CB -0.736 29.003 29.460 0.465 0.000 1.131 591 W HN -0.000 nan 8.180 nan 0.000 0.695 592 V N 3.505 123.147 119.914 -0.453 0.000 2.432 592 V HA 0.010 4.131 4.120 0.002 0.000 0.275 592 V C 0.030 176.007 176.094 -0.194 0.000 1.043 592 V CA -0.216 61.830 62.300 -0.423 0.000 0.925 592 V CB 1.175 32.545 31.823 -0.756 0.000 0.985 592 V HN -0.124 nan 8.190 nan 0.000 0.466 593 D N 4.513 124.866 120.400 -0.078 0.000 2.374 593 D HA 0.263 4.904 4.640 0.002 0.000 0.240 593 D C 0.943 177.181 176.300 -0.103 0.000 1.229 593 D CA 0.110 54.064 54.000 -0.077 0.000 0.895 593 D CB 1.706 42.480 40.800 -0.044 0.000 1.046 593 D HN 0.606 nan 8.370 nan 0.000 0.498 594 A N 3.990 126.732 122.820 -0.131 0.000 2.121 594 A HA -0.127 4.194 4.320 0.002 0.000 0.218 594 A C 1.371 178.890 177.584 -0.109 0.000 1.154 594 A CA 0.853 52.801 52.037 -0.147 0.000 0.679 594 A CB 0.114 19.021 19.000 -0.155 0.000 0.795 594 A HN 0.504 nan 8.150 nan 0.000 0.458 595 D N -0.714 119.643 120.400 -0.071 0.000 2.339 595 D HA 0.075 4.716 4.640 0.002 0.000 0.217 595 D C 0.468 176.764 176.300 -0.007 0.000 1.050 595 D CA 0.320 54.295 54.000 -0.042 0.000 0.856 595 D CB 0.118 40.900 40.800 -0.029 0.000 0.922 595 D HN 0.415 nan 8.370 nan 0.000 0.518 596 R N 0.631 121.130 120.500 -0.002 0.000 2.881 596 R HA 0.388 4.729 4.340 0.002 0.000 0.331 596 R C -0.230 176.122 176.300 0.087 0.000 1.207 596 R CA -0.210 55.926 56.100 0.060 0.000 1.265 596 R CB 0.887 31.218 30.300 0.053 0.000 1.351 596 R HN -0.018 nan 8.270 nan 0.000 0.613 597 I N 0.483 121.084 120.570 0.052 0.000 2.336 597 I HA 0.403 4.574 4.170 0.002 0.000 0.292 597 I C 0.804 177.056 176.117 0.226 0.000 0.991 597 I CA -0.440 60.896 61.300 0.061 0.000 1.227 597 I CB 1.765 39.682 38.000 -0.138 0.000 1.366 597 I HN 0.253 nan 8.210 nan 0.000 0.466 598 G N 4.494 113.499 108.800 0.341 0.000 3.108 598 G HA2 0.730 4.691 3.960 0.002 0.000 0.268 598 G HA3 0.730 4.691 3.960 0.002 0.000 0.268 598 G C -1.521 173.706 174.900 0.546 0.000 1.361 598 G CA -0.599 44.810 45.100 0.516 0.000 1.047 598 G HN 0.428 nan 8.290 nan 0.000 0.540 599 V N -0.635 119.598 119.914 0.532 0.000 2.924 599 V HA 0.705 4.825 4.120 0.002 0.000 0.300 599 V C -2.004 174.344 176.094 0.423 0.000 1.227 599 V CA -0.717 61.782 62.300 0.332 0.000 0.954 599 V CB 2.029 33.827 31.823 -0.042 0.000 1.055 599 V HN 1.225 nan 8.190 nan 0.000 0.429 600 H N 3.540 122.711 119.070 0.167 0.000 2.894 600 H HA 0.909 5.466 4.556 0.002 0.000 0.367 600 H C -0.402 174.784 175.328 -0.237 0.000 1.144 600 H CA 0.242 56.339 56.048 0.082 0.000 1.180 600 H CB 2.254 32.097 29.762 0.136 0.000 1.758 600 H HN 1.179 nan 8.280 nan 0.000 0.541 601 G N 2.033 110.377 108.800 -0.761 0.000 2.576 601 G HA2 0.304 4.265 3.960 0.002 0.000 0.290 601 G HA3 0.304 4.265 3.960 0.002 0.000 0.290 601 G C -2.150 172.501 174.900 -0.416 0.000 1.442 601 G CA -0.866 43.757 45.100 -0.795 0.000 0.792 601 G HN 0.448 nan 8.290 nan 0.000 0.491 602 W N 0.595 121.714 121.300 -0.301 0.000 2.785 602 W HA 0.554 5.215 4.660 0.002 0.000 0.333 602 W C 0.699 177.251 176.519 0.056 0.000 1.062 602 W CA 0.557 57.818 57.345 -0.140 0.000 1.233 602 W CB 2.025 31.411 29.460 -0.123 0.000 1.413 602 W HN 1.165 nan 8.180 nan 0.000 0.489 603 S N 2.230 117.942 115.700 0.019 0.000 4.142 603 S HA -0.407 4.064 4.470 0.002 0.000 0.624 603 S C 1.036 175.693 174.600 0.094 0.000 1.892 603 S CA 1.557 59.925 58.200 0.279 0.000 4.236 603 S CB -1.835 61.828 63.200 0.772 0.000 0.204 603 S HN 0.721 nan 8.310 nan 0.000 0.486 604 Y N 2.134 122.428 120.300 -0.009 0.000 2.256 604 Y HA -0.026 4.525 4.550 0.002 0.000 0.288 604 Y C 2.342 178.121 175.900 -0.201 0.000 1.155 604 Y CA 2.478 60.463 58.100 -0.192 0.000 1.203 604 Y CB -0.859 37.236 38.460 -0.608 0.000 0.980 604 Y HN 0.537 nan 8.280 nan 0.000 0.530 605 G N -1.242 107.533 108.800 -0.042 0.000 2.443 605 G HA2 -0.185 3.776 3.960 0.002 0.000 0.219 605 G HA3 -0.185 3.776 3.960 0.002 0.000 0.219 605 G C 1.819 176.607 174.900 -0.186 0.000 1.131 605 G CA 0.711 45.756 45.100 -0.091 0.000 0.775 605 G HN 0.550 nan 8.290 nan 0.000 0.547 606 G N 0.373 109.063 108.800 -0.183 0.000 2.408 606 G HA2 -0.066 3.895 3.960 0.002 0.000 0.215 606 G HA3 -0.066 3.895 3.960 0.002 0.000 0.215 606 G C 1.536 176.296 174.900 -0.233 0.000 1.156 606 G CA 0.644 45.575 45.100 -0.281 0.000 0.793 606 G HN 0.402 nan 8.290 nan 0.000 0.535 607 F N 0.965 120.703 119.950 -0.353 0.000 2.095 607 F HA -0.133 4.395 4.527 0.002 0.000 0.298 607 F C 2.630 178.263 175.800 -0.279 0.000 1.104 607 F CA 1.612 59.403 58.000 -0.349 0.000 1.232 607 F CB 0.060 38.802 39.000 -0.431 0.000 0.987 607 F HN -0.004 nan 8.300 nan 0.000 0.475 608 M N 0.423 119.731 119.600 -0.486 0.000 2.099 608 M HA -0.160 4.320 4.480 0.002 0.000 0.262 608 M C 2.200 178.234 176.300 -0.444 0.000 1.067 608 M CA 1.928 56.903 55.300 -0.543 0.000 1.124 608 M CB -1.644 30.798 32.600 -0.262 0.000 1.353 608 M HN 0.173 nan 8.290 nan 0.000 0.410 609 T N 0.790 115.133 114.554 -0.350 0.000 2.635 609 T HA -0.166 4.185 4.350 0.002 0.000 0.267 609 T C 1.789 176.300 174.700 -0.316 0.000 1.040 609 T CA 2.356 64.270 62.100 -0.310 0.000 1.156 609 T CB -0.497 68.241 68.868 -0.218 0.000 0.863 609 T HN 0.421 nan 8.240 nan 0.000 0.430 610 T N 2.107 116.461 114.554 -0.333 0.000 2.746 610 T HA -0.123 4.227 4.350 0.002 0.000 0.267 610 T C 2.047 176.569 174.700 -0.297 0.000 1.039 610 T CA 1.171 63.069 62.100 -0.337 0.000 1.142 610 T CB -0.454 68.122 68.868 -0.487 0.000 0.866 610 T HN 0.252 nan 8.240 nan 0.000 0.444 611 N N 1.071 119.529 118.700 -0.404 0.000 2.120 611 N HA 0.011 4.752 4.740 0.002 0.000 0.188 611 N C 1.776 177.141 175.510 -0.242 0.000 1.024 611 N CA 1.004 53.837 53.050 -0.363 0.000 0.852 611 N CB -0.476 37.614 38.487 -0.661 0.000 1.003 611 N HN 0.356 nan 8.380 nan 0.000 0.424 612 L N -0.040 121.008 121.223 -0.292 0.000 2.093 612 L HA -0.073 4.268 4.340 0.002 0.000 0.208 612 L C 2.457 179.280 176.870 -0.078 0.000 1.085 612 L CA 0.842 55.544 54.840 -0.230 0.000 0.755 612 L CB -0.275 41.388 42.059 -0.660 0.000 0.904 612 L HN 0.206 nan 8.230 nan 0.000 0.435 613 M N -0.730 118.802 119.600 -0.113 0.000 2.159 613 M HA -0.202 4.279 4.480 0.002 0.000 0.263 613 M C 2.216 178.569 176.300 0.088 0.000 1.063 613 M CA 1.699 57.041 55.300 0.070 0.000 1.110 613 M CB -0.272 32.361 32.600 0.056 0.000 1.374 613 M HN 0.266 nan 8.290 nan 0.000 0.411 614 L N -1.181 120.057 121.223 0.025 0.000 2.131 614 L HA -0.102 4.239 4.340 0.002 0.000 0.206 614 L C 2.299 179.162 176.870 -0.011 0.000 1.087 614 L CA 1.020 55.881 54.840 0.036 0.000 0.767 614 L CB -0.807 41.280 42.059 0.046 0.000 0.917 614 L HN 0.266 nan 8.230 nan 0.000 0.441 615 T N -2.502 112.005 114.554 -0.078 0.000 2.937 615 T HA -0.005 4.346 4.350 0.002 0.000 0.260 615 T C 0.829 175.293 174.700 -0.392 0.000 1.051 615 T CA 0.788 62.737 62.100 -0.252 0.000 1.141 615 T CB -0.002 68.655 68.868 -0.351 0.000 0.879 615 T HN 0.251 nan 8.240 nan 0.000 0.459 616 H N 0.275 119.432 119.070 0.144 0.000 2.500 616 H HA 0.407 4.964 4.556 0.002 0.000 0.243 616 H C 1.516 176.977 175.328 0.221 0.000 1.318 616 H CA -0.430 55.736 56.048 0.197 0.000 1.077 616 H CB 0.124 30.073 29.762 0.311 0.000 1.748 616 H HN 0.330 nan 8.280 nan 0.000 0.556 617 G N 0.202 109.121 108.800 0.199 0.000 2.509 617 G HA2 -0.196 3.765 3.960 0.002 0.000 0.218 617 G HA3 -0.196 3.765 3.960 0.002 0.000 0.218 617 G C 1.112 176.094 174.900 0.137 0.000 1.124 617 G CA 0.282 45.486 45.100 0.173 0.000 0.776 617 G HN 0.300 nan 8.290 nan 0.000 0.547 618 D N -0.079 120.386 120.400 0.107 0.000 2.277 618 D HA -0.003 4.638 4.640 0.002 0.000 0.208 618 D C 2.568 178.872 176.300 0.007 0.000 0.962 618 D CA 0.322 54.355 54.000 0.054 0.000 0.865 618 D CB 0.331 41.154 40.800 0.039 0.000 0.939 618 D HN 0.273 nan 8.370 nan 0.000 0.510 619 V N 0.001 119.903 119.914 -0.021 0.000 2.436 619 V HA 0.005 4.126 4.120 0.002 0.000 0.240 619 V C 0.628 176.547 176.094 -0.292 0.000 1.040 619 V CA 0.625 62.777 62.300 -0.247 0.000 1.052 619 V CB -0.224 31.290 31.823 -0.514 0.000 0.707 619 V HN -0.019 nan 8.190 nan 0.000 0.469 620 F N 1.297 121.305 119.950 0.098 0.000 2.375 620 F HA 0.360 4.888 4.527 0.002 0.000 0.362 620 F C 1.359 177.236 175.800 0.129 0.000 1.129 620 F CA -0.406 57.667 58.000 0.121 0.000 1.154 620 F CB 0.785 39.862 39.000 0.128 0.000 1.205 620 F HN -0.126 nan 8.300 nan 0.000 0.513 621 K N 1.857 122.417 120.400 0.266 0.000 2.137 621 K HA 0.168 4.489 4.320 0.002 0.000 0.202 621 K C 0.160 176.900 176.600 0.234 0.000 1.052 621 K CA 0.697 57.107 56.287 0.206 0.000 0.961 621 K CB 0.279 32.881 32.500 0.169 0.000 0.741 621 K HN 0.306 nan 8.250 nan 0.000 0.452 622 V N -0.293 119.817 119.914 0.327 0.000 2.808 622 V HA 0.655 4.776 4.120 0.002 0.000 0.308 622 V C -0.144 176.222 176.094 0.454 0.000 1.099 622 V CA -0.971 61.530 62.300 0.335 0.000 0.920 622 V CB 2.006 34.035 31.823 0.342 0.000 1.014 622 V HN 0.312 nan 8.190 nan 0.000 0.425 623 G N 1.840 110.828 108.800 0.313 0.000 2.672 623 G HA2 0.719 4.680 3.960 0.002 0.000 0.292 623 G HA3 0.719 4.680 3.960 0.002 0.000 0.292 623 G C -1.947 172.991 174.900 0.062 0.000 1.375 623 G CA -0.678 44.597 45.100 0.292 0.000 0.890 623 G HN 0.602 nan 8.290 nan 0.000 0.476 624 V N 0.327 120.312 119.914 0.117 0.000 2.482 624 V HA 0.712 4.833 4.120 0.002 0.000 0.295 624 V C -0.012 176.144 176.094 0.103 0.000 1.026 624 V CA -0.696 61.580 62.300 -0.041 0.000 0.856 624 V CB 1.376 33.083 31.823 -0.192 0.000 1.001 624 V HN 1.257 nan 8.190 nan 0.000 0.424 625 A N 3.639 126.398 122.820 -0.101 0.000 2.285 625 A HA 0.848 5.169 4.320 0.002 0.000 0.310 625 A C 0.285 177.597 177.584 -0.453 0.000 1.266 625 A CA -0.117 51.778 52.037 -0.238 0.000 0.832 625 A CB 1.020 19.865 19.000 -0.258 0.000 1.163 625 A HN 1.031 nan 8.150 nan 0.000 0.499 626 G N 0.733 109.031 108.800 -0.837 0.000 2.371 626 G HA2 0.541 4.502 3.960 0.002 0.000 0.326 626 G HA3 0.541 4.502 3.960 0.002 0.000 0.326 626 G C 0.850 174.577 174.900 -1.955 0.000 1.127 626 G CA 0.009 43.988 45.100 -1.870 0.000 0.885 626 G HN 1.989 nan 8.290 nan 0.000 0.477 627 G N 2.335 110.204 108.800 -1.552 0.000 2.424 627 G HA2 -0.190 3.771 3.960 0.002 0.000 0.290 627 G HA3 -0.190 3.771 3.960 0.002 0.000 0.290 627 G C -1.817 172.739 174.900 -0.573 0.000 0.912 627 G CA 0.115 44.596 45.100 -1.031 0.000 1.142 627 G HN 0.639 nan 8.290 nan 0.000 0.501 628 P HA 0.398 nan 4.420 nan 0.000 0.284 628 P C 0.329 177.437 177.300 -0.321 0.000 1.253 628 P CA -0.353 62.551 63.100 -0.326 0.000 0.800 628 P CB 1.730 33.256 31.700 -0.289 0.000 0.961 629 V N 5.195 124.834 119.914 -0.458 0.000 2.555 629 V HA 0.069 4.190 4.120 0.002 0.000 0.286 629 V C 1.565 177.419 176.094 -0.401 0.000 1.044 629 V CA 0.380 62.204 62.300 -0.793 0.000 1.026 629 V CB 0.530 31.498 31.823 -1.425 0.000 0.981 629 V HN 0.530 nan 8.190 nan 0.000 0.480 630 I N 1.597 122.112 120.570 -0.091 0.000 4.530 630 I HA 0.254 4.425 4.170 0.002 0.000 0.318 630 I C 0.188 176.378 176.117 0.123 0.000 1.257 630 I CA 0.594 61.943 61.300 0.081 0.000 1.301 630 I CB 0.716 38.806 38.000 0.150 0.000 1.297 630 I HN 0.657 nan 8.210 nan 0.000 0.451 631 D N -0.388 120.102 120.400 0.150 0.000 2.473 631 D HA 0.160 4.801 4.640 0.002 0.000 0.253 631 D C 0.241 176.631 176.300 0.151 0.000 1.233 631 D CA -0.542 53.537 54.000 0.132 0.000 0.908 631 D CB 0.756 41.598 40.800 0.071 0.000 1.170 631 D HN -0.041 nan 8.370 nan 0.000 0.558 632 W N 2.557 123.996 121.300 0.232 0.000 2.525 632 W HA 0.044 4.705 4.660 0.002 0.000 0.259 632 W C 1.979 178.785 176.519 0.478 0.000 1.253 632 W CA 0.317 57.834 57.345 0.286 0.000 1.262 632 W CB -0.298 29.252 29.460 0.151 0.000 1.122 632 W HN 0.525 nan 8.180 nan 0.000 0.607 633 N N 0.499 119.550 118.700 0.585 0.000 2.364 633 N HA -0.139 4.602 4.740 0.002 0.000 0.183 633 N C 1.398 177.073 175.510 0.276 0.000 1.022 633 N CA 0.714 53.979 53.050 0.358 0.000 0.883 633 N CB -0.031 38.549 38.487 0.154 0.000 0.965 633 N HN 0.136 nan 8.380 nan 0.000 0.438 634 R N -1.018 119.637 120.500 0.259 0.000 2.388 634 R HA 0.060 4.401 4.340 0.002 0.000 0.247 634 R C -0.583 175.965 176.300 0.413 0.000 0.931 634 R CA -0.239 55.974 56.100 0.188 0.000 1.082 634 R CB 0.203 30.401 30.300 -0.170 0.000 1.135 634 R HN 0.218 nan 8.270 nan 0.000 0.525 635 Y N 0.723 121.256 120.300 0.388 0.000 2.354 635 Y HA 0.394 4.945 4.550 0.002 0.000 0.322 635 Y C 0.320 176.458 175.900 0.397 0.000 1.253 635 Y CA -1.190 57.162 58.100 0.419 0.000 1.272 635 Y CB 0.836 39.505 38.460 0.348 0.000 1.255 635 Y HN 0.054 nan 8.280 nan 0.000 0.500 636 A N 4.643 127.371 122.820 -0.153 0.000 2.511 636 A HA 0.111 4.432 4.320 0.002 0.000 0.242 636 A C 1.260 178.905 177.584 0.102 0.000 1.069 636 A CA -0.063 51.776 52.037 -0.330 0.000 0.763 636 A CB -0.335 18.270 19.000 -0.659 0.000 1.001 636 A HN 0.980 nan 8.150 nan 0.000 0.498 637 I N 1.176 121.767 120.570 0.036 0.000 2.113 637 I HA -0.361 3.810 4.170 0.002 0.000 0.242 637 I C 2.154 178.350 176.117 0.132 0.000 1.064 637 I CA 2.219 63.598 61.300 0.132 0.000 1.320 637 I CB -0.233 37.828 38.000 0.101 0.000 1.028 637 I HN 0.741 nan 8.210 nan 0.000 0.406 638 M N -1.374 118.233 119.600 0.012 0.000 2.394 638 M HA -0.151 4.330 4.480 0.002 0.000 0.264 638 M C 2.061 178.296 176.300 -0.108 0.000 1.073 638 M CA 1.628 56.821 55.300 -0.178 0.000 1.111 638 M CB -0.539 31.854 32.600 -0.345 0.000 1.401 638 M HN 0.244 nan 8.290 nan 0.000 0.448 639 Y N -0.202 120.102 120.300 0.006 0.000 2.266 639 Y HA 0.203 4.754 4.550 0.002 0.000 0.294 639 Y C 2.282 178.306 175.900 0.208 0.000 1.127 639 Y CA 1.280 59.464 58.100 0.140 0.000 1.140 639 Y CB -0.542 38.172 38.460 0.424 0.000 1.071 639 Y HN 0.123 nan 8.280 nan 0.000 0.525 640 G N 0.065 109.280 108.800 0.692 0.000 2.418 640 G HA2 -0.225 3.736 3.960 0.002 0.000 0.217 640 G HA3 -0.225 3.736 3.960 0.002 0.000 0.217 640 G C 1.334 176.431 174.900 0.329 0.000 1.158 640 G CA 1.050 46.522 45.100 0.620 0.000 0.771 640 G HN 0.515 nan 8.290 nan 0.000 0.545 641 E N -0.239 120.117 120.200 0.261 0.000 2.274 641 E HA -0.024 4.327 4.350 0.002 0.000 0.194 641 E C 2.405 179.040 176.600 0.059 0.000 0.996 641 E CA 0.059 56.586 56.400 0.211 0.000 0.840 641 E CB -0.007 29.824 29.700 0.218 0.000 0.772 641 E HN 0.402 nan 8.360 nan 0.000 0.491 642 R N 0.470 120.846 120.500 -0.207 0.000 2.075 642 R HA -0.183 4.158 4.340 0.002 0.000 0.230 642 R C 1.717 177.631 176.300 -0.642 0.000 1.140 642 R CA 1.706 57.448 56.100 -0.598 0.000 0.928 642 R CB -0.220 29.363 30.300 -1.194 0.000 0.834 642 R HN 0.227 nan 8.270 nan 0.000 0.429 643 Y N -1.819 118.277 120.300 -0.341 0.000 2.420 643 Y HA 0.001 4.552 4.550 0.002 0.000 0.292 643 Y C 1.724 177.583 175.900 -0.069 0.000 1.119 643 Y CA 0.547 58.491 58.100 -0.259 0.000 1.229 643 Y CB 0.130 38.268 38.460 -0.537 0.000 1.026 643 Y HN 0.114 nan 8.280 nan 0.000 0.554 644 F N -0.511 119.391 119.950 -0.081 0.000 2.706 644 F HA 0.119 4.647 4.527 0.002 0.000 0.308 644 F C -0.135 175.666 175.800 0.001 0.000 1.095 644 F CA -0.534 57.350 58.000 -0.194 0.000 1.244 644 F CB 0.610 39.333 39.000 -0.461 0.000 1.063 644 F HN -0.078 nan 8.300 nan 0.000 0.582 645 D N 0.296 120.875 120.400 0.298 0.000 5.377 645 D HA -0.208 4.433 4.640 0.002 0.000 0.315 645 D C -0.230 176.260 176.300 0.316 0.000 2.498 645 D CA 0.929 55.092 54.000 0.271 0.000 1.245 645 D CB -0.369 40.544 40.800 0.189 0.000 1.150 645 D HN 0.256 nan 8.370 nan 0.000 1.307 646 A N 0.426 123.352 122.820 0.177 0.000 2.322 646 A HA 0.530 4.851 4.320 0.002 0.000 0.269 646 A C -1.452 176.022 177.584 -0.182 0.000 1.094 646 A CA -0.577 51.497 52.037 0.062 0.000 0.807 646 A CB 0.432 19.447 19.000 0.025 0.000 1.047 646 A HN 0.337 nan 8.150 nan 0.000 0.487 647 P HA -0.181 nan 4.420 nan 0.000 0.215 647 P C 0.975 178.005 177.300 -0.451 0.000 1.153 647 P CA 1.472 63.941 63.100 -1.051 0.000 0.853 647 P CB 0.135 31.343 31.700 -0.822 0.000 0.788 648 Q N -0.264 119.389 119.800 -0.246 0.000 2.167 648 Q HA -0.144 4.197 4.340 0.002 0.000 0.202 648 Q C 1.869 177.816 176.000 -0.088 0.000 0.970 648 Q CA 1.349 57.071 55.803 -0.135 0.000 0.855 648 Q CB -0.784 27.903 28.738 -0.085 0.000 0.911 648 Q HN 0.452 nan 8.270 nan 0.000 0.438 649 E N -0.240 119.919 120.200 -0.068 0.000 2.371 649 E HA -0.013 4.338 4.350 0.002 0.000 0.194 649 E C 0.244 176.843 176.600 -0.003 0.000 1.012 649 E CA 0.411 56.802 56.400 -0.014 0.000 0.860 649 E CB 0.230 29.946 29.700 0.027 0.000 0.811 649 E HN 0.115 nan 8.360 nan 0.000 0.502 650 N N -0.078 118.606 118.700 -0.026 0.000 2.646 650 N HA 0.080 4.821 4.740 0.002 0.000 0.296 650 N C -2.196 173.322 175.510 0.014 0.000 1.886 650 N CA -1.588 51.479 53.050 0.029 0.000 0.855 650 N CB 0.654 39.205 38.487 0.108 0.000 1.336 650 N HN -0.147 nan 8.380 nan 0.000 0.496 651 P HA -0.114 nan 4.420 nan 0.000 0.218 651 P C 0.825 178.139 177.300 0.024 0.000 1.149 651 P CA 1.162 64.244 63.100 -0.030 0.000 0.817 651 P CB 0.670 32.348 31.700 -0.037 0.000 0.785 652 E N -0.214 120.005 120.200 0.032 0.000 2.077 652 E HA -0.094 4.257 4.350 0.002 0.000 0.193 652 E C 2.379 179.023 176.600 0.073 0.000 0.989 652 E CA 1.306 57.735 56.400 0.049 0.000 0.800 652 E CB -0.757 28.970 29.700 0.045 0.000 0.746 652 E HN 0.270 nan 8.360 nan 0.000 0.452 653 G N 0.055 108.899 108.800 0.074 0.000 2.404 653 G HA2 -0.252 3.709 3.960 0.002 0.000 0.215 653 G HA3 -0.252 3.709 3.960 0.002 0.000 0.215 653 G C 1.176 176.076 174.900 -0.001 0.000 1.174 653 G CA 0.595 45.777 45.100 0.137 0.000 0.780 653 G HN 0.211 nan 8.290 nan 0.000 0.537 654 Y N 1.306 121.323 120.300 -0.472 0.000 2.128 654 Y HA -0.137 4.414 4.550 0.002 0.000 0.284 654 Y C 2.825 178.698 175.900 -0.045 0.000 1.154 654 Y CA 1.558 59.366 58.100 -0.487 0.000 1.149 654 Y CB -0.064 38.132 38.460 -0.440 0.000 0.976 654 Y HN 0.135 nan 8.280 nan 0.000 0.505 655 D N -0.369 120.114 120.400 0.138 0.000 2.133 655 D HA -0.219 4.422 4.640 0.002 0.000 0.195 655 D C 2.203 178.590 176.300 0.145 0.000 0.997 655 D CA 1.508 55.583 54.000 0.125 0.000 0.840 655 D CB -0.568 40.279 40.800 0.080 0.000 0.947 655 D HN 0.369 nan 8.370 nan 0.000 0.452 656 A N 0.358 123.268 122.820 0.151 0.000 2.015 656 A HA 0.064 4.385 4.320 0.002 0.000 0.219 656 A C 2.111 179.825 177.584 0.218 0.000 1.163 656 A CA 1.809 53.939 52.037 0.155 0.000 0.646 656 A CB -0.291 18.791 19.000 0.137 0.000 0.806 656 A HN 0.232 nan 8.150 nan 0.000 0.448 657 A N -0.685 122.329 122.820 0.323 0.000 2.308 657 A HA 0.150 4.471 4.320 0.002 0.000 0.217 657 A C 0.881 178.753 177.584 0.481 0.000 1.216 657 A CA 0.009 52.331 52.037 0.475 0.000 0.864 657 A CB -0.332 19.030 19.000 0.603 0.000 0.902 657 A HN 0.381 nan 8.150 nan 0.000 0.499 658 N N 1.496 120.395 118.700 0.333 0.000 2.402 658 N HA 0.183 4.924 4.740 0.002 0.000 0.259 658 N C 0.598 176.250 175.510 0.238 0.000 1.167 658 N CA -0.093 53.123 53.050 0.278 0.000 0.949 658 N CB 0.177 38.790 38.487 0.210 0.000 1.212 658 N HN 0.369 nan 8.380 nan 0.000 0.493 659 L N 3.089 124.469 121.223 0.261 0.000 2.376 659 L HA -0.072 4.269 4.340 0.002 0.000 0.219 659 L C 1.825 178.887 176.870 0.321 0.000 1.133 659 L CA 0.472 55.464 54.840 0.252 0.000 0.816 659 L CB -0.170 41.989 42.059 0.166 0.000 0.933 659 L HN 0.512 nan 8.230 nan 0.000 0.449 660 L N -0.076 121.300 121.223 0.256 0.000 2.131 660 L HA -0.197 4.143 4.340 0.002 0.000 0.210 660 L C 2.390 179.308 176.870 0.080 0.000 1.092 660 L CA 1.334 56.274 54.840 0.166 0.000 0.759 660 L CB -0.520 41.597 42.059 0.097 0.000 0.903 660 L HN 0.259 nan 8.230 nan 0.000 0.435 661 K N 0.106 120.563 120.400 0.095 0.000 2.365 661 K HA -0.029 4.292 4.320 0.002 0.000 0.199 661 K C 1.391 178.021 176.600 0.050 0.000 1.045 661 K CA 0.701 57.023 56.287 0.058 0.000 0.962 661 K CB 0.100 32.641 32.500 0.068 0.000 0.759 661 K HN 0.298 nan 8.250 nan 0.000 0.469 662 R N -0.354 120.197 120.500 0.086 0.000 2.577 662 R HA 0.241 4.582 4.340 0.002 0.000 0.344 662 R C 1.364 177.711 176.300 0.078 0.000 1.037 662 R CA -0.052 56.093 56.100 0.074 0.000 1.102 662 R CB 0.712 31.061 30.300 0.082 0.000 1.313 662 R HN 0.049 nan 8.270 nan 0.000 0.561 663 A N 0.797 123.631 122.820 0.023 0.000 1.978 663 A HA -0.119 4.202 4.320 0.002 0.000 0.220 663 A C 2.136 179.646 177.584 -0.122 0.000 1.170 663 A CA 1.837 53.788 52.037 -0.143 0.000 0.636 663 A CB -0.692 18.016 19.000 -0.487 0.000 0.810 663 A HN 0.438 nan 8.150 nan 0.000 0.448 664 G N -0.752 107.998 108.800 -0.084 0.000 2.535 664 G HA2 -0.122 3.839 3.960 0.002 0.000 0.218 664 G HA3 -0.122 3.839 3.960 0.002 0.000 0.218 664 G C 0.700 175.592 174.900 -0.013 0.000 1.122 664 G CA 0.948 46.012 45.100 -0.061 0.000 0.769 664 G HN 0.491 nan 8.290 nan 0.000 0.549 665 D N -0.329 120.080 120.400 0.016 0.000 2.328 665 D HA 0.061 4.702 4.640 0.002 0.000 0.226 665 D C 0.576 176.915 176.300 0.065 0.000 1.066 665 D CA -0.260 53.764 54.000 0.039 0.000 0.861 665 D CB 0.417 41.240 40.800 0.038 0.000 0.912 665 D HN 0.208 nan 8.370 nan 0.000 0.521 666 L N 1.981 123.247 121.223 0.071 0.000 2.407 666 L HA 0.096 4.437 4.340 0.002 0.000 0.282 666 L C 1.185 178.110 176.870 0.092 0.000 1.110 666 L CA 0.293 55.197 54.840 0.106 0.000 0.863 666 L CB 0.240 42.377 42.059 0.128 0.000 1.207 666 L HN -0.099 nan 8.230 nan 0.000 0.454 667 K N 3.005 123.466 120.400 0.101 0.000 2.438 667 K HA 0.413 4.734 4.320 0.002 0.000 0.206 667 K C 0.506 177.166 176.600 0.099 0.000 1.081 667 K CA 0.109 56.452 56.287 0.094 0.000 1.053 667 K CB 0.572 33.119 32.500 0.077 0.000 0.908 667 K HN 0.613 nan 8.250 nan 0.000 0.556 668 G N 0.990 109.859 108.800 0.115 0.000 2.828 668 G HA2 0.412 4.373 3.960 0.002 0.000 0.244 668 G HA3 0.412 4.373 3.960 0.002 0.000 0.244 668 G C -0.935 174.025 174.900 0.100 0.000 1.365 668 G CA -0.834 44.334 45.100 0.113 0.000 1.041 668 G HN -0.016 nan 8.290 nan 0.000 0.560 669 R N -0.132 120.419 120.500 0.085 0.000 2.265 669 R HA 0.485 4.826 4.340 0.002 0.000 0.328 669 R C -1.396 175.038 176.300 0.224 0.000 0.969 669 R CA -0.670 55.465 56.100 0.059 0.000 0.832 669 R CB 0.774 30.922 30.300 -0.253 0.000 1.139 669 R HN 0.308 nan 8.270 nan 0.000 0.457 670 L N 3.418 124.772 121.223 0.219 0.000 2.406 670 L HA 0.537 4.878 4.340 0.002 0.000 0.272 670 L C -0.764 176.101 176.870 -0.008 0.000 0.980 670 L CA -0.415 54.504 54.840 0.132 0.000 0.831 670 L CB 1.840 43.963 42.059 0.108 0.000 1.253 670 L HN 0.635 nan 8.230 nan 0.000 0.406 671 M N 5.113 124.497 119.600 -0.361 0.000 2.157 671 M HA 0.513 4.994 4.480 0.002 0.000 0.354 671 M C -1.587 174.607 176.300 -0.177 0.000 1.170 671 M CA -0.579 54.459 55.300 -0.437 0.000 1.060 671 M CB 0.936 32.922 32.600 -1.024 0.000 1.615 671 M HN 0.622 nan 8.290 nan 0.000 0.460 672 L N 6.311 127.560 121.223 0.044 0.000 2.325 672 L HA 0.584 4.925 4.340 0.002 0.000 0.279 672 L C -0.612 176.342 176.870 0.140 0.000 1.054 672 L CA -0.021 54.881 54.840 0.104 0.000 0.804 672 L CB 1.576 43.793 42.059 0.264 0.000 1.200 672 L HN 0.637 nan 8.230 nan 0.000 0.436 673 I N 1.556 122.102 120.570 -0.039 0.000 2.498 673 I HA 0.410 4.581 4.170 0.002 0.000 0.290 673 I C -0.989 175.081 176.117 -0.079 0.000 1.032 673 I CA -0.600 60.685 61.300 -0.025 0.000 1.073 673 I CB 1.969 39.999 38.000 0.051 0.000 1.251 673 I HN 0.588 nan 8.210 nan 0.000 0.426 674 H N 2.385 121.450 119.070 -0.008 0.000 2.806 674 H HA 0.517 5.074 4.556 0.002 0.000 0.367 674 H C -0.027 175.311 175.328 0.017 0.000 1.136 674 H CA -0.511 55.549 56.048 0.020 0.000 1.178 674 H CB 2.184 32.010 29.762 0.107 0.000 1.718 674 H HN 0.737 nan 8.280 nan 0.000 0.540 675 G N 1.381 110.345 108.800 0.273 0.000 2.364 675 G HA2 0.351 4.312 3.960 0.002 0.000 0.267 675 G HA3 0.351 4.312 3.960 0.002 0.000 0.267 675 G C 0.868 175.693 174.900 -0.123 0.000 1.233 675 G CA 0.150 45.355 45.100 0.175 0.000 0.885 675 G HN 0.826 nan 8.290 nan 0.000 0.490 676 A N 2.743 125.284 122.820 -0.465 0.000 1.972 676 A HA -0.070 4.251 4.320 0.002 0.000 0.219 676 A C 1.967 179.346 177.584 -0.342 0.000 1.169 676 A CA 1.472 52.890 52.037 -1.032 0.000 0.635 676 A CB -0.316 18.040 19.000 -1.073 0.000 0.810 676 A HN 1.146 nan 8.150 nan 0.000 0.446 677 I N -3.526 116.986 120.570 -0.097 0.000 3.884 677 I HA 0.226 4.397 4.170 0.002 0.000 0.330 677 I C -0.179 175.984 176.117 0.077 0.000 1.451 677 I CA -0.618 60.696 61.300 0.022 0.000 1.165 677 I CB -0.052 37.967 38.000 0.031 0.000 1.097 677 I HN -0.100 nan 8.210 nan 0.000 0.404 678 D N 4.933 125.404 120.400 0.119 0.000 2.479 678 D HA 0.021 4.662 4.640 0.002 0.000 0.257 678 D C -1.479 174.889 176.300 0.113 0.000 1.230 678 D CA -1.314 52.807 54.000 0.202 0.000 0.912 678 D CB 1.239 42.272 40.800 0.387 0.000 1.130 678 D HN 0.251 nan 8.370 nan 0.000 0.515 679 P HA 0.044 nan 4.420 nan 0.000 0.268 679 P C 0.929 178.241 177.300 0.020 0.000 1.329 679 P CA -0.067 63.060 63.100 0.044 0.000 0.899 679 P CB 0.767 32.526 31.700 0.100 0.000 1.378 680 V N -0.744 119.151 119.914 -0.032 0.000 2.490 680 V HA 0.083 4.204 4.120 0.002 0.000 0.238 680 V C 1.071 177.028 176.094 -0.228 0.000 1.056 680 V CA 0.821 63.041 62.300 -0.133 0.000 1.075 680 V CB 0.004 31.607 31.823 -0.366 0.000 0.746 680 V HN -0.205 nan 8.190 nan 0.000 0.479 681 V N 3.390 123.201 119.914 -0.173 0.000 2.313 681 V HA 0.356 4.477 4.120 0.002 0.000 0.278 681 V C -0.164 176.027 176.094 0.162 0.000 1.017 681 V CA -0.757 61.508 62.300 -0.059 0.000 0.823 681 V CB 1.357 33.172 31.823 -0.014 0.000 1.010 681 V HN 0.329 nan 8.190 nan 0.000 0.443 682 V N 2.447 122.375 119.914 0.023 0.000 2.872 682 V HA 0.123 4.244 4.120 0.002 0.000 0.307 682 V C 1.214 177.389 176.094 0.134 0.000 1.072 682 V CA -0.078 62.233 62.300 0.017 0.000 1.148 682 V CB 0.419 32.125 31.823 -0.196 0.000 0.954 682 V HN 0.943 nan 8.190 nan 0.000 0.490 683 W N 1.954 123.086 121.300 -0.280 0.000 2.331 683 W HA -0.195 4.466 4.660 0.002 0.000 0.291 683 W C 2.466 178.784 176.519 -0.334 0.000 1.214 683 W CA 1.983 58.939 57.345 -0.648 0.000 1.228 683 W CB -0.518 28.760 29.460 -0.303 0.000 1.135 683 W HN 0.973 nan 8.180 nan 0.000 0.537 684 Q N -0.866 118.895 119.800 -0.065 0.000 2.197 684 Q HA -0.326 4.015 4.340 0.002 0.000 0.211 684 Q C 1.967 177.904 176.000 -0.106 0.000 0.993 684 Q CA 2.451 58.153 55.803 -0.168 0.000 0.883 684 Q CB -0.528 28.100 28.738 -0.184 0.000 0.916 684 Q HN 0.421 nan 8.270 nan 0.000 0.418 685 H N -0.465 118.598 119.070 -0.012 0.000 2.290 685 H HA -0.131 4.426 4.556 0.002 0.000 0.298 685 H C 2.572 177.962 175.328 0.103 0.000 1.087 685 H CA 2.387 58.465 56.048 0.051 0.000 1.291 685 H CB -0.131 29.687 29.762 0.095 0.000 1.369 685 H HN 0.481 nan 8.280 nan 0.000 0.492 686 S N 0.162 116.069 115.700 0.345 0.000 2.387 686 S HA -0.079 4.392 4.470 0.002 0.000 0.226 686 S C 2.156 176.820 174.600 0.107 0.000 1.026 686 S CA 0.788 59.186 58.200 0.330 0.000 0.972 686 S CB -0.524 63.069 63.200 0.656 0.000 0.814 686 S HN 0.260 nan 8.310 nan 0.000 0.477 687 L N 1.013 122.222 121.223 -0.023 0.000 2.012 687 L HA -0.052 4.289 4.340 0.002 0.000 0.210 687 L C 2.655 179.419 176.870 -0.177 0.000 1.073 687 L CA 1.326 56.027 54.840 -0.232 0.000 0.748 687 L CB -0.699 41.111 42.059 -0.414 0.000 0.891 687 L HN 0.295 nan 8.230 nan 0.000 0.431 688 L N -1.562 119.596 121.223 -0.109 0.000 2.131 688 L HA -0.239 4.102 4.340 0.002 0.000 0.210 688 L C 2.532 179.383 176.870 -0.031 0.000 1.092 688 L CA 1.054 55.843 54.840 -0.085 0.000 0.759 688 L CB -0.480 41.534 42.059 -0.076 0.000 0.903 688 L HN 0.198 nan 8.230 nan 0.000 0.435 689 F N 0.435 120.324 119.950 -0.102 0.000 2.146 689 F HA -0.217 4.310 4.527 0.002 0.000 0.298 689 F C 2.114 177.829 175.800 -0.143 0.000 1.096 689 F CA 1.330 59.275 58.000 -0.090 0.000 1.275 689 F CB -0.055 38.916 39.000 -0.049 0.000 1.008 689 F HN -0.114 nan 8.300 nan 0.000 0.480 690 L N 0.404 121.530 121.223 -0.162 0.000 2.083 690 L HA -0.219 4.122 4.340 0.002 0.000 0.209 690 L C 2.062 178.746 176.870 -0.309 0.000 1.083 690 L CA 2.101 56.764 54.840 -0.295 0.000 0.752 690 L CB -1.127 40.708 42.059 -0.373 0.000 0.899 690 L HN 0.148 nan 8.230 nan 0.000 0.433 691 D N -1.030 119.217 120.400 -0.254 0.000 2.117 691 D HA -0.190 4.451 4.640 0.002 0.000 0.197 691 D C 2.200 178.355 176.300 -0.242 0.000 0.987 691 D CA 1.238 55.106 54.000 -0.221 0.000 0.829 691 D CB 0.094 40.787 40.800 -0.179 0.000 0.961 691 D HN 0.301 nan 8.370 nan 0.000 0.460 692 A N -0.528 122.124 122.820 -0.281 0.000 1.930 692 A HA -0.155 4.166 4.320 0.002 0.000 0.217 692 A C 2.464 179.823 177.584 -0.375 0.000 1.175 692 A CA 1.289 53.151 52.037 -0.293 0.000 0.627 692 A CB -0.902 17.927 19.000 -0.285 0.000 0.815 692 A HN 0.492 nan 8.150 nan 0.000 0.443 693 C N -1.276 117.711 119.300 -0.521 0.000 2.440 693 C HA -0.031 4.430 4.460 0.002 0.000 0.278 693 C C 2.722 177.465 174.990 -0.412 0.000 1.295 693 C CA 0.893 59.605 59.018 -0.509 0.000 1.738 693 C CB -1.199 26.197 27.740 -0.574 0.000 1.987 693 C HN 0.468 nan 8.230 nan 0.000 0.492 694 V N 1.400 121.110 119.914 -0.340 0.000 2.231 694 V HA -0.302 3.819 4.120 0.002 0.000 0.248 694 V C 2.496 178.456 176.094 -0.224 0.000 1.054 694 V CA 2.441 64.578 62.300 -0.271 0.000 1.015 694 V CB -0.742 30.963 31.823 -0.196 0.000 0.638 694 V HN 0.585 nan 8.190 nan 0.000 0.444 695 K N 0.428 120.712 120.400 -0.194 0.000 2.063 695 K HA -0.166 4.155 4.320 0.002 0.000 0.208 695 K C 1.894 178.406 176.600 -0.148 0.000 1.048 695 K CA 1.742 57.941 56.287 -0.147 0.000 0.928 695 K CB -0.355 32.068 32.500 -0.128 0.000 0.713 695 K HN 0.453 nan 8.250 nan 0.000 0.442 696 A N 0.763 123.470 122.820 -0.188 0.000 2.238 696 A HA 0.055 4.376 4.320 0.002 0.000 0.208 696 A C -0.173 177.308 177.584 -0.171 0.000 1.177 696 A CA 0.144 52.083 52.037 -0.163 0.000 0.804 696 A CB -0.103 18.790 19.000 -0.178 0.000 0.823 696 A HN 0.377 nan 8.150 nan 0.000 0.482 697 R N 0.241 120.600 120.500 -0.236 0.000 3.205 697 R HA -0.134 4.207 4.340 0.002 0.000 0.249 697 R C -0.189 175.864 176.300 -0.412 0.000 0.937 697 R CA 1.243 57.169 56.100 -0.290 0.000 0.641 697 R CB -3.044 27.219 30.300 -0.062 0.000 1.114 697 R HN 0.793 nan 8.270 nan 0.000 0.451 698 T N -3.288 110.895 114.554 -0.618 0.000 2.907 698 T HA 0.732 5.083 4.350 0.002 0.000 0.290 698 T C -0.388 173.857 174.700 -0.758 0.000 1.066 698 T CA -0.755 61.054 62.100 -0.486 0.000 1.012 698 T CB 1.824 70.573 68.868 -0.197 0.000 1.184 698 T HN 0.202 nan 8.240 nan 0.000 0.522 699 Y N 1.194 121.476 120.300 -0.031 0.000 2.584 699 Y HA 0.399 4.949 4.550 0.002 0.000 0.358 699 Y C -2.333 173.580 175.900 0.021 0.000 1.028 699 Y CA -1.891 56.201 58.100 -0.014 0.000 1.148 699 Y CB 0.837 39.294 38.460 -0.005 0.000 1.126 699 Y HN 0.546 nan 8.280 nan 0.000 0.658 700 P HA 0.239 nan 4.420 nan 0.000 0.276 700 P C -0.490 176.893 177.300 0.137 0.000 1.261 700 P CA -0.154 63.025 63.100 0.132 0.000 0.800 700 P CB 1.873 33.664 31.700 0.151 0.000 1.066 701 D N -1.098 119.390 120.400 0.147 0.000 2.449 701 D HA 0.436 5.077 4.640 0.002 0.000 0.250 701 D C -1.022 175.408 176.300 0.216 0.000 1.050 701 D CA 0.188 54.289 54.000 0.168 0.000 1.024 701 D CB 1.289 42.205 40.800 0.193 0.000 1.218 701 D HN 0.294 nan 8.370 nan 0.000 0.566 702 Y N -0.060 120.272 120.300 0.054 0.000 2.581 702 Y HA 0.407 4.958 4.550 0.002 0.000 0.337 702 Y C -1.933 174.050 175.900 0.138 0.000 1.108 702 Y CA -0.963 57.182 58.100 0.076 0.000 1.033 702 Y CB 1.370 39.875 38.460 0.075 0.000 1.318 702 Y HN 0.351 nan 8.280 nan 0.000 0.459 703 Y N 2.955 123.087 120.300 -0.281 0.000 2.513 703 Y HA 0.719 5.270 4.550 0.002 0.000 0.340 703 Y C -1.756 173.833 175.900 -0.518 0.000 1.055 703 Y CA -0.881 57.028 58.100 -0.318 0.000 1.020 703 Y CB 1.802 40.181 38.460 -0.135 0.000 1.301 703 Y HN 0.410 nan 8.280 nan 0.000 0.453 704 V N 5.453 124.914 119.914 -0.754 0.000 2.604 704 V HA 0.310 4.431 4.120 0.002 0.000 0.305 704 V C -1.402 174.422 176.094 -0.450 0.000 1.043 704 V CA -0.941 61.078 62.300 -0.468 0.000 0.888 704 V CB 1.684 33.256 31.823 -0.418 0.000 0.995 704 V HN 0.628 nan 8.190 nan 0.000 0.429 705 Y N 5.445 125.715 120.300 -0.049 0.000 2.700 705 Y HA 0.327 4.878 4.550 0.002 0.000 0.333 705 Y C -1.715 174.156 175.900 -0.049 0.000 1.036 705 Y CA -2.170 55.970 58.100 0.066 0.000 1.287 705 Y CB 1.152 39.725 38.460 0.188 0.000 1.132 705 Y HN 0.523 nan 8.280 nan 0.000 0.510 706 P HA -0.107 nan 4.420 nan 0.000 0.222 706 P C 0.963 178.263 177.300 -0.001 0.000 1.147 706 P CA 1.381 64.401 63.100 -0.133 0.000 0.790 706 P CB 0.459 32.045 31.700 -0.190 0.000 0.780 707 S N -2.596 113.158 115.700 0.090 0.000 2.556 707 S HA 0.069 4.540 4.470 0.002 0.000 0.216 707 S C 0.569 175.062 174.600 -0.179 0.000 0.970 707 S CA 0.001 58.221 58.200 0.033 0.000 0.912 707 S CB -0.416 62.809 63.200 0.041 0.000 0.790 707 S HN 0.254 nan 8.310 nan 0.000 0.504 708 H N 1.313 120.441 119.070 0.097 0.000 2.533 708 H HA 0.402 4.959 4.556 0.002 0.000 0.343 708 H C 0.401 175.771 175.328 0.070 0.000 1.160 708 H CA -0.360 55.731 56.048 0.072 0.000 1.218 708 H CB 1.221 31.015 29.762 0.052 0.000 1.566 708 H HN 0.243 nan 8.280 nan 0.000 0.522 709 E N 0.231 120.549 120.200 0.197 0.000 3.523 709 E HA -0.042 4.309 4.350 0.002 0.000 0.526 709 E C 1.020 177.781 176.600 0.268 0.000 0.298 709 E CA -0.393 56.120 56.400 0.190 0.000 3.069 709 E CB 0.436 30.228 29.700 0.152 0.000 2.322 709 E HN 0.536 nan 8.360 nan 0.000 0.415 710 H N 0.264 119.431 119.070 0.162 0.000 2.357 710 H HA 0.083 4.640 4.556 0.002 0.000 0.301 710 H C 0.070 175.560 175.328 0.270 0.000 1.082 710 H CA 1.156 57.339 56.048 0.225 0.000 1.342 710 H CB 0.174 30.055 29.762 0.198 0.000 1.389 710 H HN 0.060 nan 8.280 nan 0.000 0.511 711 N N -0.147 118.554 118.700 0.002 0.000 2.384 711 N HA 0.196 4.937 4.740 0.002 0.000 0.301 711 N C -1.178 174.157 175.510 -0.291 0.000 1.133 711 N CA -0.516 52.322 53.050 -0.353 0.000 0.853 711 N CB 2.654 40.878 38.487 -0.440 0.000 1.241 711 N HN -0.112 nan 8.380 nan 0.000 0.502 712 V N 3.302 122.884 119.914 -0.554 0.000 2.427 712 V HA 0.256 4.377 4.120 0.002 0.000 0.268 712 V C 0.444 176.241 176.094 -0.494 0.000 1.046 712 V CA 0.001 61.854 62.300 -0.745 0.000 0.970 712 V CB 0.316 31.524 31.823 -1.025 0.000 1.001 712 V HN 0.502 nan 8.190 nan 0.000 0.476 713 M N 3.480 122.914 119.600 -0.277 0.000 2.508 713 M HA 0.721 5.202 4.480 0.002 0.000 0.327 713 M C 0.681 176.947 176.300 -0.057 0.000 1.160 713 M CA 0.140 55.368 55.300 -0.119 0.000 0.980 713 M CB 1.479 34.077 32.600 -0.004 0.000 1.693 713 M HN 0.894 nan 8.290 nan 0.000 0.452 714 G N 2.913 111.661 108.800 -0.086 0.000 2.632 714 G HA2 -0.164 3.797 3.960 0.002 0.000 0.224 714 G HA3 -0.164 3.797 3.960 0.002 0.000 0.224 714 G C -2.417 172.432 174.900 -0.085 0.000 1.341 714 G CA -0.671 44.394 45.100 -0.059 0.000 0.880 714 G HN 0.471 nan 8.290 nan 0.000 0.566 715 P HA -0.002 nan 4.420 nan 0.000 0.216 715 P C 1.206 178.478 177.300 -0.046 0.000 1.150 715 P CA 1.744 64.812 63.100 -0.052 0.000 0.843 715 P CB -0.085 31.605 31.700 -0.017 0.000 0.787 716 D N -1.329 119.063 120.400 -0.013 0.000 2.309 716 D HA -0.139 4.502 4.640 0.002 0.000 0.212 716 D C 1.901 178.138 176.300 -0.105 0.000 0.968 716 D CA 0.684 54.686 54.000 0.004 0.000 0.882 716 D CB -0.449 40.387 40.800 0.061 0.000 0.918 716 D HN 0.158 nan 8.370 nan 0.000 0.503 717 R N 0.316 120.688 120.500 -0.213 0.000 2.152 717 R HA -0.095 4.246 4.340 0.002 0.000 0.232 717 R C 1.892 178.008 176.300 -0.307 0.000 1.117 717 R CA 0.521 56.430 56.100 -0.319 0.000 0.981 717 R CB -0.021 30.036 30.300 -0.405 0.000 0.870 717 R HN 0.019 nan 8.270 nan 0.000 0.451 718 V N 0.120 119.913 119.914 -0.202 0.000 2.295 718 V HA -0.300 3.821 4.120 0.002 0.000 0.246 718 V C 2.376 178.486 176.094 0.027 0.000 1.049 718 V CA 2.131 64.354 62.300 -0.129 0.000 1.024 718 V CB -0.780 30.993 31.823 -0.083 0.000 0.648 718 V HN 0.520 nan 8.190 nan 0.000 0.447 719 H N -0.235 118.837 119.070 0.004 0.000 2.352 719 H HA -0.184 4.373 4.556 0.002 0.000 0.299 719 H C 2.255 177.652 175.328 0.115 0.000 1.097 719 H CA 2.362 58.454 56.048 0.073 0.000 1.311 719 H CB -0.069 29.768 29.762 0.125 0.000 1.377 719 H HN 0.339 nan 8.280 nan 0.000 0.504 720 L N 0.495 121.862 121.223 0.239 0.000 1.989 720 L HA -0.230 4.111 4.340 0.002 0.000 0.211 720 L C 2.267 179.318 176.870 0.301 0.000 1.071 720 L CA 1.678 56.648 54.840 0.217 0.000 0.749 720 L CB -1.188 40.859 42.059 -0.020 0.000 0.890 720 L HN 0.154 nan 8.230 nan 0.000 0.431 721 Y N 0.540 120.900 120.300 0.100 0.000 2.165 721 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 721 Y C 2.695 178.780 175.900 0.310 0.000 1.155 721 Y CA 1.422 59.688 58.100 0.277 0.000 1.164 721 Y CB -0.669 37.968 38.460 0.295 0.000 0.978 721 Y HN 0.344 nan 8.280 nan 0.000 0.513 722 E N -0.843 119.554 120.200 0.329 0.000 2.072 722 E HA -0.127 4.224 4.350 0.002 0.000 0.191 722 E C 2.152 178.799 176.600 0.078 0.000 0.985 722 E CA 1.584 58.110 56.400 0.209 0.000 0.801 722 E CB -0.554 29.185 29.700 0.065 0.000 0.750 722 E HN 0.415 nan 8.360 nan 0.000 0.452 723 T N 1.965 116.494 114.554 -0.042 0.000 2.684 723 T HA -0.127 4.224 4.350 0.002 0.000 0.267 723 T C 2.159 176.892 174.700 0.055 0.000 1.036 723 T CA 1.110 63.167 62.100 -0.071 0.000 1.148 723 T CB -0.239 68.515 68.868 -0.191 0.000 0.863 723 T HN 0.099 nan 8.240 nan 0.000 0.436 724 I N 0.960 121.594 120.570 0.108 0.000 2.202 724 I HA -0.173 3.998 4.170 0.002 0.000 0.242 724 I C 2.783 179.062 176.117 0.271 0.000 1.091 724 I CA 1.159 62.520 61.300 0.102 0.000 1.368 724 I CB -0.751 37.245 38.000 -0.007 0.000 1.058 724 I HN 0.226 nan 8.210 nan 0.000 0.410 725 T N 0.280 115.029 114.554 0.325 0.000 2.684 725 T HA -0.251 4.100 4.350 0.002 0.000 0.267 725 T C 2.027 176.783 174.700 0.093 0.000 1.036 725 T CA 1.546 63.761 62.100 0.193 0.000 1.148 725 T CB -0.319 68.537 68.868 -0.020 0.000 0.863 725 T HN 0.301 nan 8.240 nan 0.000 0.436 726 R N -0.672 119.879 120.500 0.085 0.000 2.115 726 R HA -0.074 4.267 4.340 0.002 0.000 0.230 726 R C 2.231 178.549 176.300 0.031 0.000 1.111 726 R CA 0.895 57.017 56.100 0.037 0.000 0.976 726 R CB -0.355 29.966 30.300 0.036 0.000 0.870 726 R HN 0.429 nan 8.270 nan 0.000 0.445 727 Y N 0.307 120.577 120.300 -0.050 0.000 2.145 727 Y HA -0.237 4.314 4.550 0.002 0.000 0.286 727 Y C 1.569 177.410 175.900 -0.099 0.000 1.145 727 Y CA 1.932 59.987 58.100 -0.076 0.000 1.148 727 Y CB -0.387 37.961 38.460 -0.186 0.000 0.981 727 Y HN -0.016 nan 8.280 nan 0.000 0.507 728 F N -0.334 119.660 119.950 0.073 0.000 2.134 728 F HA -0.207 4.321 4.527 0.002 0.000 0.299 728 F C 2.784 178.470 175.800 -0.190 0.000 1.097 728 F CA 1.932 59.880 58.000 -0.087 0.000 1.264 728 F CB -1.382 37.479 39.000 -0.230 0.000 1.001 728 F HN 0.136 nan 8.300 nan 0.000 0.479 729 T N -2.978 111.550 114.554 -0.043 0.000 2.867 729 T HA -0.138 4.213 4.350 0.002 0.000 0.268 729 T C 1.564 176.258 174.700 -0.010 0.000 1.057 729 T CA 1.470 63.581 62.100 0.019 0.000 1.136 729 T CB -0.440 68.435 68.868 0.011 0.000 0.874 729 T HN 0.067 nan 8.240 nan 0.000 0.466 730 D N 0.845 121.147 120.400 -0.164 0.000 2.097 730 D HA -0.066 4.575 4.640 0.002 0.000 0.197 730 D C 2.035 178.087 176.300 -0.413 0.000 0.984 730 D CA 1.250 55.027 54.000 -0.371 0.000 0.826 730 D CB -0.205 40.172 40.800 -0.705 0.000 0.973 730 D HN 0.565 nan 8.370 nan 0.000 0.460 731 H N -1.345 117.648 119.070 -0.129 0.000 2.855 731 H HA 0.204 4.761 4.556 0.002 0.000 0.259 731 H C 0.809 176.156 175.328 0.031 0.000 0.972 731 H CA -0.304 55.672 56.048 -0.119 0.000 1.213 731 H CB 0.623 30.183 29.762 -0.337 0.000 1.451 731 H HN 0.093 nan 8.280 nan 0.000 0.484 732 L N 0.000 121.374 121.223 0.252 0.000 2.949 732 L HA 0.000 4.341 4.340 0.002 0.000 0.249 732 L CA 0.000 55.050 54.840 0.350 0.000 0.813 732 L CB 0.000 42.397 42.059 0.563 0.000 0.961 732 L HN 0.000 nan 8.230 nan 0.000 0.502