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 2dcm_1_A DATA FIRST_RESID 53 DATA SEQUENCE YVVGLQWMGD NYVFIEGDDL VFNKAXXXXX XTTRFSAADL NALMPEXXXX DATA SEQUENCE XXXDAFPSFR 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 SHTLLEAKNX XXXXAMPEIR TGTIMAADGQ TPLYYKLTMP DATA SEQUENCE LHFDPAKKYP VIVYVYGGPH AQLVTKTWRS SVGGWDIYMA QKGYAVFTVD DATA SEQUENCE SRGSANRGAA FEQVIHRRLG QTEMADQMCG VDFLKSQSWV DADRIGVHGW DATA SEQUENCE AYGGFMTTNL MLTHGDVFKV GVAGGPVIDW NRYEIMYGER 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 0.000 175.851 175.900 -0.081 0.000 1.272 53 Y CA 0.000 58.054 58.100 -0.077 0.000 1.940 53 Y CB 0.000 38.424 38.460 -0.061 0.000 1.050 54 V N 4.885 124.743 119.914 -0.094 0.000 2.325 54 V HA 0.497 4.618 4.120 0.002 0.000 0.280 54 V C 0.829 176.877 176.094 -0.075 0.000 1.016 54 V CA -0.458 61.785 62.300 -0.096 0.000 0.818 54 V CB 0.472 32.214 31.823 -0.136 0.000 1.019 54 V HN 2.362 nan 8.190 nan 0.000 0.434 55 V N 2.546 122.434 119.914 -0.043 0.000 5.825 55 V HA -0.200 3.921 4.120 0.002 0.000 0.234 55 V C 0.941 177.029 176.094 -0.011 0.000 0.670 55 V CA 0.453 62.746 62.300 -0.011 0.000 0.559 55 V CB -2.191 29.667 31.823 0.059 0.000 0.240 55 V HN 2.054 nan 8.190 nan 0.000 0.545 56 G N 1.713 110.481 108.800 -0.054 0.000 2.203 56 G HA2 -0.021 3.940 3.960 0.002 0.000 0.227 56 G HA3 -0.021 3.940 3.960 0.002 0.000 0.227 56 G C -0.354 174.529 174.900 -0.027 0.000 0.477 56 G CA 0.428 45.489 45.100 -0.064 0.000 1.025 56 G HN 2.067 nan 8.290 nan 0.000 0.388 57 L N 2.180 123.387 121.223 -0.026 0.000 2.349 57 L HA 0.731 5.072 4.340 0.002 0.000 0.275 57 L C 0.326 177.150 176.870 -0.075 0.000 1.115 57 L CA 0.070 54.896 54.840 -0.023 0.000 0.820 57 L CB 1.059 43.076 42.059 -0.069 0.000 1.135 57 L HN 0.921 nan 8.230 nan 0.000 0.445 58 Q N 2.702 122.430 119.800 -0.120 0.000 2.874 58 Q HA 0.321 4.662 4.340 0.002 0.000 0.303 58 Q C -1.844 174.038 176.000 -0.197 0.000 0.876 58 Q CA -0.974 54.748 55.803 -0.135 0.000 0.765 58 Q CB 0.292 29.033 28.738 0.005 0.000 1.478 58 Q HN 0.545 nan 8.270 nan 0.000 0.434 59 W N 1.044 122.363 121.300 0.032 0.000 2.376 59 W HA 0.635 5.296 4.660 0.002 0.000 0.322 59 W C -0.228 176.291 176.519 -0.001 0.000 1.160 59 W CA -0.616 56.745 57.345 0.027 0.000 1.218 59 W CB 1.645 31.116 29.460 0.020 0.000 1.205 59 W HN 0.367 nan 8.180 nan 0.000 0.559 60 M N 4.671 124.457 119.600 0.311 0.000 2.067 60 M HA 0.245 4.726 4.480 0.002 0.000 0.214 60 M C 0.601 177.011 176.300 0.183 0.000 0.891 60 M CA 0.010 55.407 55.300 0.162 0.000 0.697 60 M CB 0.582 33.210 32.600 0.047 0.000 1.616 60 M HN 0.885 nan 8.290 nan 0.000 0.354 61 G N 3.024 111.911 108.800 0.144 0.000 4.163 61 G HA2 -0.312 3.649 3.960 0.002 0.000 0.300 61 G HA3 -0.312 3.649 3.960 0.002 0.000 0.300 61 G C 0.125 175.064 174.900 0.065 0.000 1.488 61 G CA 0.741 45.888 45.100 0.078 0.000 1.052 61 G HN 0.649 nan 8.290 nan 0.000 0.687 62 D N 0.751 121.223 120.400 0.119 0.000 2.520 62 D HA 0.201 4.842 4.640 0.002 0.000 0.223 62 D C 0.251 176.758 176.300 0.344 0.000 1.186 62 D CA -0.100 53.968 54.000 0.113 0.000 0.821 62 D CB -0.305 40.523 40.800 0.047 0.000 1.072 62 D HN 0.436 nan 8.370 nan 0.000 0.518 63 N N 0.804 119.724 118.700 0.366 0.000 2.456 63 N HA 0.250 4.991 4.740 0.002 0.000 0.296 63 N C -0.934 174.764 175.510 0.314 0.000 1.102 63 N CA -0.479 52.738 53.050 0.279 0.000 0.924 63 N CB 1.475 40.061 38.487 0.164 0.000 1.186 63 N HN 0.205 nan 8.380 nan 0.000 0.492 64 Y N -1.057 119.195 120.300 -0.080 0.000 2.328 64 Y HA 0.649 5.200 4.550 0.002 0.000 0.337 64 Y C -0.391 175.314 175.900 -0.325 0.000 0.966 64 Y CA -0.972 56.824 58.100 -0.507 0.000 1.136 64 Y CB 0.381 38.261 38.460 -0.966 0.000 1.170 64 Y HN 0.041 nan 8.280 nan 0.000 0.470 65 V N 5.634 125.364 119.914 -0.307 0.000 2.966 65 V HA 0.661 4.782 4.120 0.002 0.000 0.317 65 V C -0.550 175.421 176.094 -0.205 0.000 1.070 65 V CA -0.907 61.101 62.300 -0.487 0.000 1.008 65 V CB 1.569 32.970 31.823 -0.704 0.000 1.070 65 V HN 0.816 nan 8.190 nan 0.000 0.457 66 F N 0.031 119.828 119.950 -0.254 0.000 2.708 66 F HA 0.707 5.235 4.527 0.002 0.000 0.309 66 F C -1.074 174.616 175.800 -0.183 0.000 1.120 66 F CA -1.312 56.582 58.000 -0.176 0.000 0.978 66 F CB 0.300 39.234 39.000 -0.110 0.000 1.283 66 F HN 0.318 nan 8.300 nan 0.000 0.439 67 I N 1.302 121.906 120.570 0.057 0.000 3.276 67 I HA 0.417 4.588 4.170 0.002 0.000 0.306 67 I C -0.140 176.077 176.117 0.167 0.000 1.060 67 I CA -0.675 60.610 61.300 -0.026 0.000 1.133 67 I CB 0.927 38.890 38.000 -0.061 0.000 1.473 67 I HN 0.645 nan 8.210 nan 0.000 0.649 68 E N 1.715 121.982 120.200 0.112 0.000 3.079 68 E HA 0.199 4.550 4.350 0.002 0.000 0.329 68 E C 0.226 176.895 176.600 0.116 0.000 1.166 68 E CA 0.198 56.682 56.400 0.140 0.000 0.876 68 E CB 1.058 30.855 29.700 0.161 0.000 1.479 68 E HN 0.956 nan 8.360 nan 0.000 0.384 69 G N 3.392 112.251 108.800 0.099 0.000 2.774 69 G HA2 -0.462 3.499 3.960 0.002 0.000 0.342 69 G HA3 -0.462 3.499 3.960 0.002 0.000 0.342 69 G C 0.877 175.859 174.900 0.137 0.000 1.185 69 G CA 0.982 46.136 45.100 0.090 0.000 0.956 69 G HN 0.573 nan 8.290 nan 0.000 0.561 70 D N 1.694 122.159 120.400 0.108 0.000 2.347 70 D HA 0.076 4.717 4.640 0.002 0.000 0.215 70 D C 0.229 176.658 176.300 0.215 0.000 0.976 70 D CA 1.113 55.175 54.000 0.102 0.000 0.884 70 D CB -0.063 40.755 40.800 0.030 0.000 0.915 70 D HN 0.379 nan 8.370 nan 0.000 0.526 71 D N -0.301 120.239 120.400 0.234 0.000 2.299 71 D HA 0.412 5.053 4.640 0.002 0.000 0.243 71 D C -1.020 175.370 176.300 0.150 0.000 0.982 71 D CA -0.606 53.545 54.000 0.252 0.000 0.924 71 D CB 2.007 42.886 40.800 0.133 0.000 1.238 71 D HN -0.063 nan 8.370 nan 0.000 0.484 72 L N 2.327 123.591 121.223 0.070 0.000 2.433 72 L HA 0.359 4.700 4.340 0.002 0.000 0.256 72 L C -1.417 175.369 176.870 -0.140 0.000 1.063 72 L CA -0.596 54.078 54.840 -0.277 0.000 0.922 72 L CB 1.195 42.928 42.059 -0.544 0.000 1.238 72 L HN 0.172 nan 8.230 nan 0.000 0.466 73 V N 5.113 124.775 119.914 -0.420 0.000 2.397 73 V HA 0.139 4.260 4.120 0.002 0.000 0.262 73 V C 0.164 175.897 176.094 -0.602 0.000 1.047 73 V CA 0.129 62.153 62.300 -0.461 0.000 1.003 73 V CB -0.526 30.913 31.823 -0.641 0.000 1.037 73 V HN 0.359 nan 8.190 nan 0.000 0.480 74 F N 4.736 124.439 119.950 -0.411 0.000 2.399 74 F HA 0.486 5.014 4.527 0.002 0.000 0.342 74 F C 0.843 176.386 175.800 -0.428 0.000 1.106 74 F CA -0.175 57.594 58.000 -0.385 0.000 1.196 74 F CB 0.698 39.553 39.000 -0.242 0.000 1.163 74 F HN 0.496 nan 8.300 nan 0.000 0.547 75 N N 1.905 120.342 118.700 -0.438 0.000 2.902 75 N HA 0.535 5.276 4.740 0.002 0.000 0.268 75 N C -1.009 174.232 175.510 -0.449 0.000 1.450 75 N CA -0.910 51.804 53.050 -0.559 0.000 0.819 75 N CB 2.425 40.300 38.487 -1.020 0.000 1.540 75 N HN 0.424 nan 8.380 nan 0.000 0.545 76 K N -0.258 120.021 120.400 -0.201 0.000 2.175 76 K HA 0.854 5.175 4.320 0.002 0.000 0.257 76 K C -1.019 175.744 176.600 0.272 0.000 1.026 76 K CA -0.756 55.591 56.287 0.100 0.000 0.866 76 K CB 2.033 34.574 32.500 0.067 0.000 1.474 76 K HN 0.617 nan 8.250 nan 0.000 0.442 85 T N 1.592 116.130 114.554 -0.028 0.000 3.289 85 T HA 0.691 5.042 4.350 0.002 0.000 0.370 85 T C -0.027 174.691 174.700 0.030 0.000 1.546 85 T CA 0.444 62.529 62.100 -0.025 0.000 1.144 85 T CB 0.993 69.806 68.868 -0.092 0.000 1.379 85 T HN 1.162 nan 8.240 nan 0.000 0.478 86 R N 2.193 122.730 120.500 0.062 0.000 2.517 86 R HA 0.956 5.297 4.340 0.002 0.000 0.250 86 R C -0.836 175.629 176.300 0.275 0.000 1.213 86 R CA -0.339 55.851 56.100 0.150 0.000 1.146 86 R CB 0.058 30.424 30.300 0.111 0.000 1.279 86 R HN 0.928 nan 8.270 nan 0.000 0.597 87 F N -0.022 120.019 119.950 0.152 0.000 3.127 87 F HA 0.357 4.885 4.527 0.002 0.000 0.356 87 F C -0.307 175.700 175.800 0.344 0.000 1.208 87 F CA -0.562 57.566 58.000 0.214 0.000 1.250 87 F CB 1.533 40.717 39.000 0.306 0.000 1.581 87 F HN 0.700 nan 8.300 nan 0.000 0.691 88 S N 3.746 119.384 115.700 -0.104 0.000 2.601 88 S HA 0.648 5.119 4.470 0.002 0.000 0.271 88 S C 1.340 175.659 174.600 -0.469 0.000 1.305 88 S CA 0.173 58.284 58.200 -0.148 0.000 1.022 88 S CB 1.543 64.672 63.200 -0.118 0.000 0.940 88 S HN 1.079 nan 8.310 nan 0.000 0.525 89 A N 3.953 126.505 122.820 -0.446 0.000 2.024 89 A HA 0.066 4.388 4.320 0.002 0.000 0.220 89 A C 2.273 179.566 177.584 -0.485 0.000 1.164 89 A CA 2.010 53.639 52.037 -0.679 0.000 0.643 89 A CB -1.366 17.357 19.000 -0.462 0.000 0.806 89 A HN 1.185 nan 8.150 nan 0.000 0.451 90 A N 0.647 123.264 122.820 -0.339 0.000 1.841 90 A HA -0.138 4.183 4.320 0.002 0.000 0.214 90 A C 1.717 179.134 177.584 -0.278 0.000 1.195 90 A CA 1.707 53.595 52.037 -0.247 0.000 0.611 90 A CB -0.691 18.212 19.000 -0.161 0.000 0.835 90 A HN 0.463 nan 8.150 nan 0.000 0.443 91 D N -0.050 120.151 120.400 -0.330 0.000 2.172 91 D HA -0.184 4.457 4.640 0.002 0.000 0.196 91 D C 1.738 177.831 176.300 -0.344 0.000 0.999 91 D CA 1.401 55.225 54.000 -0.294 0.000 0.856 91 D CB -0.617 39.979 40.800 -0.341 0.000 0.934 91 D HN 0.342 nan 8.370 nan 0.000 0.453 92 L N 1.140 121.984 121.223 -0.631 0.000 1.976 92 L HA -0.144 4.197 4.340 0.002 0.000 0.209 92 L C 1.594 178.271 176.870 -0.321 0.000 1.071 92 L CA 1.794 56.317 54.840 -0.529 0.000 0.746 92 L CB -0.994 40.633 42.059 -0.721 0.000 0.890 92 L HN -0.146 nan 8.230 nan 0.000 0.432 93 N N -0.020 118.499 118.700 -0.302 0.000 2.132 93 N HA -0.203 4.538 4.740 0.002 0.000 0.191 93 N C 1.793 177.227 175.510 -0.126 0.000 1.015 93 N CA 1.603 54.536 53.050 -0.194 0.000 0.864 93 N CB -0.478 37.905 38.487 -0.173 0.000 1.006 93 N HN 0.570 nan 8.380 nan 0.000 0.430 94 A N -0.008 122.742 122.820 -0.118 0.000 1.978 94 A HA -0.064 4.257 4.320 0.002 0.000 0.220 94 A C 1.867 179.437 177.584 -0.024 0.000 1.170 94 A CA 1.036 53.037 52.037 -0.061 0.000 0.636 94 A CB -0.450 18.521 19.000 -0.049 0.000 0.810 94 A HN 0.297 nan 8.150 nan 0.000 0.448 95 L N -0.396 120.817 121.223 -0.017 0.000 2.592 95 L HA 0.142 4.483 4.340 0.002 0.000 0.227 95 L C 0.277 177.163 176.870 0.027 0.000 1.127 95 L CA -0.492 54.379 54.840 0.051 0.000 0.884 95 L CB -0.080 42.085 42.059 0.177 0.000 1.065 95 L HN 0.329 nan 8.230 nan 0.000 0.457 96 M N 0.236 119.816 119.600 -0.033 0.000 2.291 96 M HA 0.253 4.734 4.480 0.002 0.000 0.324 96 M C -1.113 175.180 176.300 -0.011 0.000 1.148 96 M CA -1.740 53.542 55.300 -0.030 0.000 1.104 96 M CB 0.286 32.846 32.600 -0.068 0.000 1.483 96 M HN -0.194 nan 8.290 nan 0.000 0.467 97 P HA 0.193 nan 4.420 nan 0.000 0.216 97 P C 0.038 177.336 177.300 -0.004 0.000 1.151 97 P CA 1.290 64.391 63.100 0.001 0.000 0.863 97 P CB 0.599 32.305 31.700 0.009 0.000 0.790 107 A N -0.819 121.988 122.820 -0.022 0.000 3.184 107 A HA 0.820 5.141 4.320 0.002 0.000 0.206 107 A C -1.189 176.401 177.584 0.011 0.000 1.262 107 A CA -0.352 51.697 52.037 0.020 0.000 0.891 107 A CB 0.651 19.677 19.000 0.042 0.000 1.526 107 A HN 0.802 nan 8.150 nan 0.000 0.508 108 F N 2.062 122.005 119.950 -0.011 0.000 2.385 108 F HA 0.456 4.984 4.527 0.002 0.000 0.360 108 F C -1.654 174.156 175.800 0.017 0.000 1.122 108 F CA -2.094 55.911 58.000 0.008 0.000 1.090 108 F CB 1.125 40.151 39.000 0.043 0.000 1.150 108 F HN 0.333 nan 8.300 nan 0.000 0.472 109 P HA -0.035 nan 4.420 nan 0.000 0.264 109 P C -0.632 176.837 177.300 0.282 0.000 1.179 109 P CA -0.015 63.173 63.100 0.148 0.000 0.763 109 P CB 0.715 32.445 31.700 0.050 0.000 0.806 110 S N 2.549 118.327 115.700 0.131 0.000 2.585 110 S HA 0.592 5.063 4.470 0.002 0.000 0.273 110 S C -0.084 174.628 174.600 0.188 0.000 1.339 110 S CA -0.365 57.831 58.200 -0.006 0.000 1.028 110 S CB -0.098 63.090 63.200 -0.020 0.000 0.906 110 S HN 0.484 nan 8.310 nan 0.000 0.528 111 F N -1.770 118.316 119.950 0.227 0.000 2.713 111 F HA 0.659 5.187 4.527 0.002 0.000 0.311 111 F C -0.781 175.149 175.800 0.216 0.000 1.141 111 F CA -1.461 56.690 58.000 0.252 0.000 0.939 111 F CB 1.403 40.516 39.000 0.187 0.000 1.325 111 F HN 0.763 nan 8.300 nan 0.000 0.453 112 R N 1.257 122.094 120.500 0.561 0.000 2.338 112 R HA 0.567 4.908 4.340 0.002 0.000 0.317 112 R C -1.169 175.301 176.300 0.282 0.000 0.968 112 R CA -0.349 55.979 56.100 0.380 0.000 0.849 112 R CB 1.542 32.039 30.300 0.328 0.000 1.128 112 R HN 0.930 nan 8.270 nan 0.000 0.448 113 T N 5.565 120.283 114.554 0.272 0.000 2.884 113 T HA 0.191 4.542 4.350 0.002 0.000 0.298 113 T C 1.283 176.019 174.700 0.060 0.000 0.998 113 T CA -0.326 61.861 62.100 0.144 0.000 1.124 113 T CB 1.047 70.016 68.868 0.167 0.000 0.931 113 T HN 0.545 nan 8.240 nan 0.000 0.531 114 L N 0.994 122.206 121.223 -0.018 0.000 2.435 114 L HA 0.334 4.675 4.340 0.002 0.000 0.195 114 L C 0.884 177.759 176.870 0.010 0.000 1.072 114 L CA 0.343 55.159 54.840 -0.039 0.000 0.833 114 L CB 0.271 42.229 42.059 -0.168 0.000 1.081 114 L HN 0.535 nan 8.230 nan 0.000 0.485 115 D N 0.334 120.734 120.400 -0.001 0.000 2.438 115 D HA 0.328 4.969 4.640 0.002 0.000 0.257 115 D C 0.673 176.992 176.300 0.031 0.000 1.148 115 D CA 0.058 54.070 54.000 0.021 0.000 0.902 115 D CB 2.081 42.884 40.800 0.005 0.000 1.062 115 D HN 0.105 nan 8.370 nan 0.000 0.518 116 A N 3.134 125.991 122.820 0.062 0.000 1.892 116 A HA -0.126 4.195 4.320 0.002 0.000 0.218 116 A C 1.991 179.617 177.584 0.071 0.000 1.188 116 A CA 2.133 54.222 52.037 0.087 0.000 0.631 116 A CB -0.801 18.275 19.000 0.127 0.000 0.822 116 A HN 0.586 nan 8.150 nan 0.000 0.447 117 G N -1.013 107.816 108.800 0.049 0.000 2.545 117 G HA2 -0.143 3.818 3.960 0.002 0.000 0.217 117 G HA3 -0.143 3.818 3.960 0.002 0.000 0.217 117 G C 1.681 176.591 174.900 0.017 0.000 1.218 117 G CA 2.376 47.492 45.100 0.027 0.000 0.787 117 G HN 0.899 nan 8.290 nan 0.000 0.571 118 R N 0.272 120.775 120.500 0.006 0.000 2.339 118 R HA 0.355 4.696 4.340 0.002 0.000 0.199 118 R C 2.224 178.509 176.300 -0.025 0.000 1.018 118 R CA 1.373 57.465 56.100 -0.014 0.000 1.036 118 R CB -1.303 28.986 30.300 -0.019 0.000 0.899 118 R HN 1.741 nan 8.270 nan 0.000 0.473 119 G N -0.413 108.383 108.800 -0.006 0.000 2.166 119 G HA2 -0.240 3.721 3.960 0.002 0.000 0.260 119 G HA3 -0.240 3.721 3.960 0.002 0.000 0.260 119 G C 0.303 175.166 174.900 -0.063 0.000 0.986 119 G CA 0.426 45.517 45.100 -0.016 0.000 0.683 119 G HN 0.534 nan 8.290 nan 0.000 0.527 120 L N 0.090 121.275 121.223 -0.064 0.000 2.416 120 L HA 0.541 4.882 4.340 0.002 0.000 0.272 120 L C 0.715 177.526 176.870 -0.098 0.000 1.161 120 L CA -0.322 54.468 54.840 -0.084 0.000 0.845 120 L CB 1.039 43.063 42.059 -0.058 0.000 1.119 120 L HN 0.004 nan 8.230 nan 0.000 0.464 121 V N 3.325 123.172 119.914 -0.113 0.000 3.167 121 V HA 0.540 4.661 4.120 0.002 0.000 0.310 121 V C -0.705 175.309 176.094 -0.133 0.000 1.207 121 V CA -0.745 61.468 62.300 -0.146 0.000 1.059 121 V CB 2.957 34.594 31.823 -0.309 0.000 1.079 121 V HN 0.432 nan 8.190 nan 0.000 0.446 122 V N 2.166 121.983 119.914 -0.161 0.000 2.638 122 V HA 0.634 4.755 4.120 0.002 0.000 0.306 122 V C -1.332 174.668 176.094 -0.157 0.000 1.052 122 V CA -0.368 61.787 62.300 -0.242 0.000 0.885 122 V CB 1.788 33.235 31.823 -0.626 0.000 0.999 122 V HN 0.684 nan 8.190 nan 0.000 0.424 123 L N 6.532 127.691 121.223 -0.107 0.000 2.307 123 L HA 0.593 4.934 4.340 0.002 0.000 0.284 123 L C -0.973 175.817 176.870 -0.134 0.000 1.023 123 L CA -0.347 54.495 54.840 0.003 0.000 0.810 123 L CB 1.599 43.708 42.059 0.082 0.000 1.231 123 L HN 0.499 nan 8.230 nan 0.000 0.423 124 F N 1.308 121.328 119.950 0.118 0.000 2.424 124 F HA 0.487 5.015 4.527 0.002 0.000 0.356 124 F C 0.687 176.525 175.800 0.063 0.000 1.110 124 F CA -0.419 57.635 58.000 0.089 0.000 1.161 124 F CB 1.338 40.383 39.000 0.074 0.000 1.115 124 F HN 0.385 nan 8.300 nan 0.000 0.507 125 T N -0.696 113.964 114.554 0.175 0.000 2.971 125 T HA 0.539 4.890 4.350 0.002 0.000 0.304 125 T C -0.374 174.378 174.700 0.086 0.000 1.038 125 T CA -1.049 61.115 62.100 0.107 0.000 1.007 125 T CB 1.220 70.124 68.868 0.060 0.000 1.055 125 T HN 0.778 nan 8.240 nan 0.000 0.451 126 Q N 0.970 120.808 119.800 0.064 0.000 3.178 126 Q HA 0.375 4.716 4.340 0.002 0.000 0.340 126 Q C 1.115 177.138 176.000 0.040 0.000 1.183 126 Q CA 0.912 56.742 55.803 0.045 0.000 1.188 126 Q CB -1.837 26.917 28.738 0.026 0.000 1.043 126 Q HN 2.661 nan 8.270 nan 0.000 0.438 127 G N 0.746 109.574 108.800 0.046 0.000 2.780 127 G HA2 0.527 4.488 3.960 0.002 0.000 0.364 127 G HA3 0.527 4.488 3.960 0.002 0.000 0.364 127 G C 0.724 175.653 174.900 0.048 0.000 1.045 127 G CA 0.393 45.516 45.100 0.037 0.000 1.202 127 G HN 2.697 nan 8.290 nan 0.000 0.534 128 G N -0.458 108.375 108.800 0.056 0.000 2.756 128 G HA2 0.233 4.194 3.960 0.002 0.000 0.678 128 G HA3 0.233 4.194 3.960 0.002 0.000 0.678 128 G C -0.313 174.645 174.900 0.097 0.000 1.349 128 G CA -0.266 44.879 45.100 0.076 0.000 0.847 128 G HN 1.548 nan 8.290 nan 0.000 0.548 129 L N -0.755 120.555 121.223 0.144 0.000 2.362 129 L HA 0.674 5.015 4.340 0.002 0.000 0.271 129 L C 0.161 177.159 176.870 0.213 0.000 1.002 129 L CA -1.306 53.598 54.840 0.107 0.000 0.818 129 L CB 2.204 44.306 42.059 0.071 0.000 1.298 129 L HN 0.479 nan 8.230 nan 0.000 0.420 130 V N 1.545 121.532 119.914 0.122 0.000 2.328 130 V HA 0.405 4.526 4.120 0.002 0.000 0.278 130 V C 0.712 176.928 176.094 0.204 0.000 1.021 130 V CA -0.573 61.828 62.300 0.169 0.000 0.838 130 V CB 1.227 33.113 31.823 0.105 0.000 0.999 130 V HN 0.886 nan 8.190 nan 0.000 0.447 131 G N 3.791 112.791 108.800 0.335 0.000 2.378 131 G HA2 0.460 4.421 3.960 0.002 0.000 0.255 131 G HA3 0.460 4.421 3.960 0.002 0.000 0.255 131 G C -1.153 173.889 174.900 0.237 0.000 1.270 131 G CA 0.073 45.356 45.100 0.305 0.000 0.876 131 G HN 0.511 nan 8.290 nan 0.000 0.521 132 F N 1.913 121.857 119.950 -0.009 0.000 2.569 132 F HA 0.382 4.910 4.527 0.002 0.000 0.312 132 F C -0.898 174.861 175.800 -0.068 0.000 1.109 132 F CA -1.318 56.664 58.000 -0.030 0.000 0.919 132 F CB 2.455 41.456 39.000 0.002 0.000 1.211 132 F HN 0.403 nan 8.300 nan 0.000 0.446 133 D N 6.096 125.977 120.400 -0.866 0.000 2.274 133 D HA 0.183 4.824 4.640 0.002 0.000 0.239 133 D C 0.587 176.470 176.300 -0.696 0.000 1.104 133 D CA -0.257 53.385 54.000 -0.597 0.000 0.840 133 D CB 1.373 41.883 40.800 -0.483 0.000 1.100 133 D HN 0.513 nan 8.370 nan 0.000 0.477 134 M N 3.393 122.851 119.600 -0.238 0.000 2.248 134 M HA 0.012 4.493 4.480 0.002 0.000 0.265 134 M C 1.915 178.093 176.300 -0.205 0.000 1.079 134 M CA 0.730 55.990 55.300 -0.066 0.000 1.150 134 M CB -0.535 32.170 32.600 0.175 0.000 1.366 134 M HN 0.491 nan 8.290 nan 0.000 0.433 135 L N -0.551 120.586 121.223 -0.144 0.000 2.465 135 L HA -0.033 4.308 4.340 0.002 0.000 0.224 135 L C 1.657 178.385 176.870 -0.237 0.000 1.145 135 L CA 0.592 55.331 54.840 -0.167 0.000 0.834 135 L CB -0.616 41.395 42.059 -0.079 0.000 0.944 135 L HN 0.239 nan 8.230 nan 0.000 0.451 136 A N -0.943 121.704 122.820 -0.288 0.000 2.628 136 A HA 0.229 4.550 4.320 0.002 0.000 0.267 136 A C 0.787 178.175 177.584 -0.326 0.000 1.159 136 A CA -0.507 51.366 52.037 -0.273 0.000 0.972 136 A CB 0.233 19.092 19.000 -0.234 0.000 1.211 136 A HN 0.256 nan 8.150 nan 0.000 0.576 137 R N 0.146 120.392 120.500 -0.423 0.000 3.184 137 R HA -0.190 4.151 4.340 0.002 0.000 0.242 137 R C -0.930 175.183 176.300 -0.311 0.000 0.907 137 R CA 1.210 57.121 56.100 -0.314 0.000 0.618 137 R CB -1.751 28.468 30.300 -0.134 0.000 1.016 137 R HN 0.557 nan 8.270 nan 0.000 0.469 138 K N -0.018 119.895 120.400 -0.812 0.000 2.422 138 K HA 0.386 4.707 4.320 0.002 0.000 0.251 138 K C -0.308 175.901 176.600 -0.653 0.000 0.933 138 K CA -0.929 55.076 56.287 -0.469 0.000 0.798 138 K CB 2.752 35.066 32.500 -0.310 0.000 1.238 138 K HN -0.134 nan 8.250 nan 0.000 0.428 139 V N 3.460 123.315 119.914 -0.099 0.000 2.415 139 V HA -0.057 4.064 4.120 0.002 0.000 0.267 139 V C 1.570 177.575 176.094 -0.148 0.000 1.042 139 V CA 0.285 62.636 62.300 0.084 0.000 1.000 139 V CB 0.370 32.310 31.823 0.196 0.000 1.015 139 V HN 1.064 nan 8.190 nan 0.000 0.478 140 T N 3.532 117.975 114.554 -0.184 0.000 2.590 140 T HA -0.029 4.322 4.350 0.002 0.000 0.257 140 T C 0.362 174.682 174.700 -0.633 0.000 1.080 140 T CA 1.052 62.925 62.100 -0.378 0.000 1.180 140 T CB -0.078 68.712 68.868 -0.131 0.000 0.865 140 T HN 0.403 nan 8.240 nan 0.000 0.403 141 Y N -0.691 119.583 120.300 -0.043 0.000 2.615 141 Y HA 0.671 5.222 4.550 0.002 0.000 0.341 141 Y C -1.102 174.643 175.900 -0.259 0.000 1.089 141 Y CA -1.678 56.277 58.100 -0.241 0.000 1.049 141 Y CB 1.464 39.594 38.460 -0.550 0.000 1.296 141 Y HN 0.078 nan 8.280 nan 0.000 0.470 142 L N 2.242 123.363 121.223 -0.170 0.000 2.313 142 L HA 0.517 4.858 4.340 0.002 0.000 0.283 142 L C -1.301 175.422 176.870 -0.245 0.000 1.013 142 L CA -0.676 54.116 54.840 -0.080 0.000 0.816 142 L CB 0.400 42.449 42.059 -0.017 0.000 1.236 142 L HN 0.377 nan 8.230 nan 0.000 0.419 143 F N 1.456 121.471 119.950 0.107 0.000 2.508 143 F HA 0.428 4.956 4.527 0.002 0.000 0.325 143 F C 0.322 176.135 175.800 0.021 0.000 1.090 143 F CA -0.821 57.226 58.000 0.079 0.000 0.945 143 F CB 1.713 40.788 39.000 0.124 0.000 1.156 143 F HN 0.338 nan 8.300 nan 0.000 0.463 144 D N 1.684 122.178 120.400 0.157 0.000 2.461 144 D HA 0.209 4.850 4.640 0.002 0.000 0.240 144 D C 0.086 176.353 176.300 -0.056 0.000 1.094 144 D CA -0.083 53.945 54.000 0.046 0.000 0.868 144 D CB 1.439 42.257 40.800 0.031 0.000 1.062 144 D HN 0.559 nan 8.370 nan 0.000 0.530 145 T N 1.857 116.290 114.554 -0.202 0.000 3.107 145 T HA 0.076 4.427 4.350 0.002 0.000 0.249 145 T C 0.511 174.880 174.700 -0.551 0.000 1.096 145 T CA -0.198 61.508 62.100 -0.657 0.000 1.012 145 T CB -0.335 68.121 68.868 -0.687 0.000 0.977 145 T HN 0.647 nan 8.240 nan 0.000 0.527 146 N N 2.247 120.809 118.700 -0.230 0.000 2.783 146 N HA -0.159 4.582 4.740 0.002 0.000 0.247 146 N C -0.735 174.702 175.510 -0.120 0.000 1.089 146 N CA 0.253 53.220 53.050 -0.138 0.000 0.690 146 N CB -1.214 37.199 38.487 -0.123 0.000 0.991 146 N HN 0.526 nan 8.380 nan 0.000 0.552 147 E N -1.354 118.785 120.200 -0.101 0.000 2.320 147 E HA -0.254 4.097 4.350 0.002 0.000 0.234 147 E C -0.359 176.205 176.600 -0.060 0.000 1.183 147 E CA 0.935 57.303 56.400 -0.053 0.000 0.713 147 E CB -0.591 29.095 29.700 -0.024 0.000 1.226 147 E HN 0.541 nan 8.360 nan 0.000 0.382 148 E N 0.221 120.348 120.200 -0.121 0.000 2.191 148 E HA 0.317 4.668 4.350 0.002 0.000 0.263 148 E C 0.446 177.019 176.600 -0.044 0.000 0.881 148 E CA 0.135 56.486 56.400 -0.082 0.000 0.757 148 E CB 1.244 30.880 29.700 -0.106 0.000 1.147 148 E HN 0.113 nan 8.360 nan 0.000 0.414 149 T N 0.974 115.553 114.554 0.041 0.000 3.028 149 T HA 0.305 4.656 4.350 0.002 0.000 0.250 149 T C 1.773 176.543 174.700 0.117 0.000 0.979 149 T CA 0.487 62.660 62.100 0.123 0.000 1.004 149 T CB -0.211 68.741 68.868 0.139 0.000 1.120 149 T HN 0.297 nan 8.240 nan 0.000 0.482 150 A N 2.857 125.721 122.820 0.073 0.000 1.884 150 A HA -0.123 4.198 4.320 0.002 0.000 0.219 150 A C 2.508 180.151 177.584 0.097 0.000 1.197 150 A CA 2.718 54.798 52.037 0.071 0.000 0.637 150 A CB -1.240 17.793 19.000 0.055 0.000 0.827 150 A HN 0.874 nan 8.150 nan 0.000 0.450 151 S N -0.890 114.875 115.700 0.108 0.000 2.605 151 S HA 0.361 4.832 4.470 0.002 0.000 0.217 151 S C 0.393 175.067 174.600 0.124 0.000 0.958 151 S CA -0.465 57.802 58.200 0.112 0.000 0.919 151 S CB -0.654 62.613 63.200 0.111 0.000 0.780 151 S HN 0.358 nan 8.310 nan 0.000 0.507 152 L N 2.886 124.188 121.223 0.131 0.000 2.628 152 L HA 0.144 4.485 4.340 0.002 0.000 0.274 152 L C -0.018 176.910 176.870 0.097 0.000 1.209 152 L CA 0.326 55.209 54.840 0.072 0.000 0.930 152 L CB -0.027 42.102 42.059 0.118 0.000 1.183 152 L HN 0.248 nan 8.230 nan 0.000 0.492 153 D N 4.320 124.740 120.400 0.035 0.000 2.402 153 D HA 0.275 4.916 4.640 0.002 0.000 0.252 153 D C -0.762 175.650 176.300 0.187 0.000 1.294 153 D CA -0.433 53.680 54.000 0.189 0.000 0.948 153 D CB 0.664 41.591 40.800 0.210 0.000 1.202 153 D HN -0.001 nan 8.370 nan 0.000 0.561 154 F N 1.545 121.544 119.950 0.082 0.000 2.443 154 F HA 0.205 4.733 4.527 0.002 0.000 0.353 154 F C 1.609 177.148 175.800 -0.434 0.000 1.101 154 F CA -0.322 57.600 58.000 -0.131 0.000 1.226 154 F CB 1.153 40.028 39.000 -0.208 0.000 1.140 154 F HN 0.146 nan 8.300 nan 0.000 0.557 155 S N 5.133 120.333 115.700 -0.834 0.000 2.560 155 S HA 0.094 4.565 4.470 0.002 0.000 0.284 155 S C -1.106 173.125 174.600 -0.616 0.000 1.327 155 S CA -1.177 56.042 58.200 -1.634 0.000 1.055 155 S CB 0.717 62.865 63.200 -1.754 0.000 0.868 155 S HN 0.495 nan 8.310 nan 0.000 0.506 156 P HA -0.066 nan 4.420 nan 0.000 0.223 156 P C 1.208 178.428 177.300 -0.134 0.000 1.144 156 P CA 0.768 63.773 63.100 -0.159 0.000 0.783 156 P CB -0.144 31.515 31.700 -0.069 0.000 0.771 157 V N -0.557 119.236 119.914 -0.201 0.000 3.217 157 V HA 0.063 4.184 4.120 0.002 0.000 0.264 157 V C 2.120 178.174 176.094 -0.065 0.000 1.135 157 V CA 1.356 63.584 62.300 -0.120 0.000 1.142 157 V CB -1.647 30.091 31.823 -0.142 0.000 0.754 157 V HN 0.317 nan 8.190 nan 0.000 0.484 158 G N 1.515 110.271 108.800 -0.073 0.000 2.189 158 G HA2 -0.328 3.633 3.960 0.002 0.000 0.267 158 G HA3 -0.328 3.633 3.960 0.002 0.000 0.267 158 G C 0.607 175.592 174.900 0.141 0.000 0.975 158 G CA 0.699 45.830 45.100 0.052 0.000 0.644 158 G HN 0.703 nan 8.290 nan 0.000 0.537 159 D N -0.913 119.448 120.400 -0.065 0.000 2.407 159 D HA 0.143 4.784 4.640 0.002 0.000 0.208 159 D C 0.954 177.189 176.300 -0.108 0.000 1.083 159 D CA 0.043 53.807 54.000 -0.393 0.000 0.844 159 D CB 0.445 40.887 40.800 -0.597 0.000 0.967 159 D HN 0.496 nan 8.370 nan 0.000 0.506 160 R N -0.079 120.438 120.500 0.029 0.000 2.771 160 R HA 0.630 4.971 4.340 0.002 0.000 0.274 160 R C -1.663 174.644 176.300 0.012 0.000 0.987 160 R CA -0.943 55.214 56.100 0.095 0.000 0.908 160 R CB 3.242 33.543 30.300 0.002 0.000 1.213 160 R HN -0.035 nan 8.270 nan 0.000 0.468 161 V N 0.980 120.932 119.914 0.063 0.000 2.709 161 V HA 0.799 4.920 4.120 0.002 0.000 0.308 161 V C -1.195 175.000 176.094 0.169 0.000 1.062 161 V CA -0.457 61.696 62.300 -0.245 0.000 0.901 161 V CB 1.850 33.022 31.823 -1.085 0.000 1.003 161 V HN 0.937 nan 8.190 nan 0.000 0.425 162 A N 6.048 129.026 122.820 0.262 0.000 2.324 162 A HA 1.000 5.321 4.320 0.002 0.000 0.330 162 A C -1.135 176.525 177.584 0.127 0.000 1.165 162 A CA -0.335 51.791 52.037 0.149 0.000 0.813 162 A CB 1.100 20.093 19.000 -0.012 0.000 1.197 162 A HN 1.808 nan 8.150 nan 0.000 0.484 163 Y N -1.255 119.027 120.300 -0.031 0.000 2.656 163 Y HA 0.659 5.210 4.550 0.002 0.000 0.334 163 Y C -1.350 174.568 175.900 0.030 0.000 1.179 163 Y CA -1.449 56.641 58.100 -0.017 0.000 1.050 163 Y CB 0.733 39.175 38.460 -0.029 0.000 1.308 163 Y HN 0.446 nan 8.280 nan 0.000 0.456 164 V N 2.698 122.687 119.914 0.124 0.000 2.513 164 V HA 0.696 4.817 4.120 0.002 0.000 0.299 164 V C -0.531 175.677 176.094 0.190 0.000 1.035 164 V CA -0.801 61.544 62.300 0.074 0.000 0.889 164 V CB 1.562 33.419 31.823 0.056 0.000 0.988 164 V HN 0.810 nan 8.190 nan 0.000 0.440 165 R N 3.684 124.291 120.500 0.177 0.000 2.512 165 R HA 0.330 4.671 4.340 0.002 0.000 0.291 165 R C -0.682 175.678 176.300 0.099 0.000 1.097 165 R CA -0.475 55.697 56.100 0.120 0.000 0.940 165 R CB 0.741 31.089 30.300 0.079 0.000 1.198 165 R HN 0.855 nan 8.270 nan 0.000 0.429 166 N N 5.220 123.909 118.700 -0.019 0.000 2.708 166 N HA -0.207 4.534 4.740 0.002 0.000 0.255 166 N C -0.438 175.090 175.510 0.030 0.000 1.046 166 N CA 1.545 54.555 53.050 -0.067 0.000 0.715 166 N CB -0.904 37.622 38.487 0.065 0.000 0.895 166 N HN 0.968 nan 8.380 nan 0.000 0.545 167 H N -4.135 115.000 119.070 0.108 0.000 4.158 167 H HA -0.186 4.371 4.556 0.002 0.000 0.150 167 H C 0.296 175.696 175.328 0.119 0.000 0.823 167 H CA 1.591 57.706 56.048 0.111 0.000 1.252 167 H CB -0.942 28.879 29.762 0.098 0.000 0.889 167 H HN 0.521 nan 8.280 nan 0.000 0.437 168 N N 0.733 119.527 118.700 0.158 0.000 2.404 168 N HA 0.411 5.152 4.740 0.002 0.000 0.297 168 N C -0.208 175.170 175.510 -0.220 0.000 1.163 168 N CA -0.777 52.217 53.050 -0.093 0.000 0.864 168 N CB 2.114 40.444 38.487 -0.262 0.000 1.247 168 N HN 0.010 nan 8.380 nan 0.000 0.510 169 L N 1.777 122.653 121.223 -0.579 0.000 2.289 169 L HA 0.443 4.784 4.340 0.002 0.000 0.285 169 L C -1.384 174.943 176.870 -0.905 0.000 1.049 169 L CA -0.163 54.304 54.840 -0.622 0.000 0.804 169 L CB -0.022 41.574 42.059 -0.771 0.000 1.195 169 L HN 0.400 nan 8.230 nan 0.000 0.428 170 Y N 4.445 124.319 120.300 -0.709 0.000 2.602 170 Y HA 0.649 5.200 4.550 0.002 0.000 0.342 170 Y C -0.407 175.139 175.900 -0.590 0.000 1.029 170 Y CA -0.813 56.867 58.100 -0.700 0.000 1.080 170 Y CB 1.835 39.774 38.460 -0.869 0.000 1.284 170 Y HN 0.325 nan 8.280 nan 0.000 0.485 171 I N 2.062 122.543 120.570 -0.148 0.000 2.476 171 I HA 0.520 4.691 4.170 0.002 0.000 0.281 171 I C -0.743 175.482 176.117 0.180 0.000 1.040 171 I CA -0.776 60.547 61.300 0.039 0.000 1.094 171 I CB 1.259 39.296 38.000 0.061 0.000 1.219 171 I HN 0.679 nan 8.210 nan 0.000 0.450 172 A N 6.449 129.456 122.820 0.312 0.000 2.301 172 A HA 0.592 4.913 4.320 0.002 0.000 0.298 172 A C -0.042 177.692 177.584 0.251 0.000 1.185 172 A CA -0.445 51.772 52.037 0.300 0.000 0.830 172 A CB 0.633 19.851 19.000 0.363 0.000 1.112 172 A HN 0.796 nan 8.150 nan 0.000 0.508 173 R N 2.349 122.941 120.500 0.152 0.000 2.297 173 R HA 0.442 4.783 4.340 0.002 0.000 0.308 173 R C 0.570 176.829 176.300 -0.068 0.000 1.029 173 R CA 0.087 56.224 56.100 0.061 0.000 0.929 173 R CB 0.824 31.138 30.300 0.022 0.000 1.046 173 R HN 0.857 nan 8.270 nan 0.000 0.461 174 G N 1.843 110.467 108.800 -0.293 0.000 2.365 174 G HA2 0.307 4.268 3.960 0.002 0.000 0.249 174 G HA3 0.307 4.268 3.960 0.002 0.000 0.249 174 G C -0.222 174.461 174.900 -0.363 0.000 1.288 174 G CA -0.351 44.259 45.100 -0.815 0.000 0.887 174 G HN 0.701 nan 8.290 nan 0.000 0.524 175 G N 1.617 110.292 108.800 -0.208 0.000 2.335 175 G HA2 0.481 4.442 3.960 0.002 0.000 0.316 175 G HA3 0.481 4.442 3.960 0.002 0.000 0.316 175 G C 0.078 175.021 174.900 0.072 0.000 1.129 175 G CA -0.711 44.378 45.100 -0.018 0.000 0.899 175 G HN 0.611 nan 8.290 nan 0.000 0.448 176 K N 0.804 121.273 120.400 0.115 0.000 2.414 176 K HA 0.060 4.381 4.320 0.002 0.000 0.272 176 K C 0.212 176.794 176.600 -0.031 0.000 0.993 176 K CA -0.585 55.702 56.287 0.001 0.000 0.964 176 K CB 0.886 33.382 32.500 -0.008 0.000 0.925 176 K HN 0.326 nan 8.250 nan 0.000 0.487 177 L N 2.797 123.980 121.223 -0.066 0.000 2.615 177 L HA -0.032 4.309 4.340 0.002 0.000 0.271 177 L C 1.187 178.042 176.870 -0.026 0.000 1.183 177 L CA 1.998 56.815 54.840 -0.039 0.000 0.933 177 L CB -0.399 41.636 42.059 -0.041 0.000 1.199 177 L HN 0.961 nan 8.230 nan 0.000 0.487 178 G N 1.624 110.416 108.800 -0.014 0.000 2.498 178 G HA2 -0.404 3.557 3.960 0.002 0.000 0.229 178 G HA3 -0.404 3.557 3.960 0.002 0.000 0.229 178 G C 0.838 175.734 174.900 -0.006 0.000 1.156 178 G CA 0.894 45.989 45.100 -0.009 0.000 0.680 178 G HN 0.962 nan 8.290 nan 0.000 0.512 179 E N 1.045 121.241 120.200 -0.007 0.000 2.455 179 E HA 0.396 4.747 4.350 0.002 0.000 0.202 179 E C 2.381 178.984 176.600 0.004 0.000 1.045 179 E CA 1.596 57.996 56.400 0.000 0.000 0.872 179 E CB -0.974 28.729 29.700 0.005 0.000 0.792 179 E HN 2.748 nan 8.360 nan 0.000 0.542 180 G N -0.775 108.026 108.800 0.003 0.000 2.721 180 G HA2 0.028 3.989 3.960 0.002 0.000 0.686 180 G HA3 0.028 3.989 3.960 0.002 0.000 0.686 180 G C -0.133 174.770 174.900 0.005 0.000 1.236 180 G CA -0.188 44.915 45.100 0.005 0.000 0.786 180 G HN 0.331 nan 8.290 nan 0.000 0.616 181 M N 0.431 120.034 119.600 0.005 0.000 2.359 181 M HA 0.710 5.191 4.480 0.002 0.000 0.322 181 M C 0.701 177.009 176.300 0.013 0.000 1.166 181 M CA -0.618 54.685 55.300 0.005 0.000 1.067 181 M CB 1.520 34.125 32.600 0.008 0.000 1.523 181 M HN 0.856 nan 8.290 nan 0.000 0.467 182 S N 0.473 116.184 115.700 0.018 0.000 2.526 182 S HA 0.543 5.014 4.470 0.002 0.000 0.293 182 S C -0.611 174.015 174.600 0.044 0.000 1.092 182 S CA -0.749 57.468 58.200 0.029 0.000 0.980 182 S CB 1.373 64.590 63.200 0.028 0.000 1.048 182 S HN 0.636 nan 8.310 nan 0.000 0.483 183 R N 2.719 123.246 120.500 0.046 0.000 2.504 183 R HA 0.334 4.675 4.340 0.002 0.000 0.291 183 R C 0.386 176.735 176.300 0.082 0.000 0.974 183 R CA 0.723 56.858 56.100 0.058 0.000 1.077 183 R CB -0.306 30.025 30.300 0.051 0.000 0.926 183 R HN 0.720 nan 8.270 nan 0.000 0.407 184 A N 5.208 128.093 122.820 0.108 0.000 2.507 184 A HA 0.180 4.501 4.320 0.002 0.000 0.235 184 A C 0.091 177.761 177.584 0.144 0.000 1.070 184 A CA -0.032 52.097 52.037 0.155 0.000 0.768 184 A CB 0.097 19.231 19.000 0.225 0.000 1.011 184 A HN 0.783 nan 8.150 nan 0.000 0.502 185 I N 1.131 121.765 120.570 0.106 0.000 2.359 185 I HA 0.398 4.569 4.170 0.002 0.000 0.294 185 I C 0.699 176.747 176.117 -0.115 0.000 0.987 185 I CA -0.192 61.119 61.300 0.018 0.000 1.225 185 I CB 1.710 39.707 38.000 -0.005 0.000 1.366 185 I HN 0.688 nan 8.210 nan 0.000 0.466 186 A N 6.409 129.107 122.820 -0.204 0.000 2.391 186 A HA 0.356 4.677 4.320 0.002 0.000 0.316 186 A C 0.957 178.150 177.584 -0.652 0.000 1.381 186 A CA -0.458 51.202 52.037 -0.628 0.000 0.998 186 A CB 0.319 19.032 19.000 -0.479 0.000 1.147 186 A HN 0.659 nan 8.150 nan 0.000 0.545 187 V N 2.414 121.810 119.914 -0.863 0.000 2.427 187 V HA -0.077 4.044 4.120 0.002 0.000 0.248 187 V C 1.571 177.235 176.094 -0.717 0.000 1.051 187 V CA 2.252 63.994 62.300 -0.930 0.000 1.048 187 V CB -1.154 29.996 31.823 -1.122 0.000 0.666 187 V HN 0.971 nan 8.190 nan 0.000 0.456 188 T N -2.012 112.056 114.554 -0.811 0.000 2.906 188 T HA 0.694 5.045 4.350 0.002 0.000 0.295 188 T C -0.042 174.318 174.700 -0.567 0.000 1.075 188 T CA -0.169 61.482 62.100 -0.747 0.000 1.005 188 T CB 2.554 70.649 68.868 -1.287 0.000 1.136 188 T HN 0.240 nan 8.240 nan 0.000 0.498 189 I N -1.855 118.496 120.570 -0.366 0.000 4.620 189 I HA 0.396 4.567 4.170 0.002 0.000 0.347 189 I C 0.171 176.245 176.117 -0.072 0.000 1.302 189 I CA -0.496 60.688 61.300 -0.193 0.000 1.277 189 I CB 0.663 38.585 38.000 -0.129 0.000 1.566 189 I HN 0.579 nan 8.210 nan 0.000 0.547 190 D N 1.564 121.944 120.400 -0.033 0.000 2.559 190 D HA 0.240 4.881 4.640 0.002 0.000 0.234 190 D C 0.868 177.269 176.300 0.168 0.000 1.226 190 D CA -0.189 53.852 54.000 0.069 0.000 0.830 190 D CB 0.030 40.880 40.800 0.083 0.000 1.028 190 D HN 0.266 nan 8.370 nan 0.000 0.492 191 G N -0.353 108.574 108.800 0.211 0.000 2.554 191 G HA2 0.436 4.397 3.960 0.002 0.000 0.238 191 G HA3 0.436 4.397 3.960 0.002 0.000 0.238 191 G C -0.167 174.750 174.900 0.029 0.000 1.259 191 G CA 0.243 45.527 45.100 0.307 0.000 0.843 191 G HN 0.204 nan 8.290 nan 0.000 0.582 192 T N -0.601 113.869 114.554 -0.140 0.000 2.711 192 T HA 0.250 4.601 4.350 0.002 0.000 0.302 192 T C 1.062 175.490 174.700 -0.454 0.000 1.373 192 T CA -0.136 61.634 62.100 -0.550 0.000 1.000 192 T CB 1.601 70.301 68.868 -0.280 0.000 1.483 192 T HN 0.672 nan 8.240 nan 0.000 0.499 193 E N -0.288 119.664 120.200 -0.414 0.000 2.418 193 E HA -0.030 4.321 4.350 0.002 0.000 0.197 193 E C 1.424 177.851 176.600 -0.288 0.000 1.026 193 E CA 1.196 57.547 56.400 -0.082 0.000 0.862 193 E CB 0.021 29.764 29.700 0.071 0.000 0.799 193 E HN 0.449 nan 8.360 nan 0.000 0.518 194 T N -0.236 114.115 114.554 -0.338 0.000 3.001 194 T HA 0.173 4.524 4.350 0.002 0.000 0.251 194 T C -0.362 174.142 174.700 -0.326 0.000 1.040 194 T CA -0.262 61.562 62.100 -0.461 0.000 0.985 194 T CB 0.175 68.857 68.868 -0.310 0.000 1.011 194 T HN 0.095 nan 8.240 nan 0.000 0.509 195 L N 2.710 123.787 121.223 -0.243 0.000 2.454 195 L HA 0.560 4.901 4.340 0.002 0.000 0.258 195 L C -1.097 175.640 176.870 -0.220 0.000 1.025 195 L CA -0.625 54.070 54.840 -0.241 0.000 0.901 195 L CB 1.255 43.200 42.059 -0.190 0.000 1.210 195 L HN -0.150 nan 8.230 nan 0.000 0.457 196 V N 4.415 124.197 119.914 -0.220 0.000 2.461 196 V HA 0.333 4.454 4.120 0.002 0.000 0.275 196 V C -0.452 175.552 176.094 -0.151 0.000 1.047 196 V CA -0.353 61.888 62.300 -0.100 0.000 0.955 196 V CB 0.587 32.377 31.823 -0.055 0.000 0.988 196 V HN 0.483 nan 8.190 nan 0.000 0.471 197 Y N 1.798 122.141 120.300 0.071 0.000 2.352 197 Y HA 0.592 5.143 4.550 0.002 0.000 0.339 197 Y C 1.228 177.157 175.900 0.048 0.000 0.992 197 Y CA 0.267 58.414 58.100 0.079 0.000 1.100 197 Y CB 1.979 40.411 38.460 -0.045 0.000 1.192 197 Y HN 0.877 nan 8.280 nan 0.000 0.458 198 G N 2.251 111.245 108.800 0.324 0.000 2.225 198 G HA2 -0.242 3.719 3.960 0.002 0.000 0.267 198 G HA3 -0.242 3.719 3.960 0.002 0.000 0.267 198 G C -0.320 174.671 174.900 0.151 0.000 1.024 198 G CA 0.053 45.272 45.100 0.198 0.000 0.784 198 G HN 0.564 nan 8.290 nan 0.000 0.507 199 Q N -0.985 118.926 119.800 0.187 0.000 2.496 199 Q HA 0.746 5.087 4.340 0.002 0.000 0.286 199 Q C 0.474 176.574 176.000 0.166 0.000 1.103 199 Q CA -0.637 55.249 55.803 0.138 0.000 0.813 199 Q CB 1.728 30.521 28.738 0.092 0.000 1.444 199 Q HN 0.842 nan 8.270 nan 0.000 0.443 200 A N 0.712 123.611 122.820 0.132 0.000 2.583 200 A HA 0.310 4.631 4.320 0.002 0.000 0.231 200 A C -0.167 177.399 177.584 -0.031 0.000 1.065 200 A CA 0.228 52.336 52.037 0.117 0.000 0.760 200 A CB 0.142 19.209 19.000 0.110 0.000 1.001 200 A HN 0.396 nan 8.150 nan 0.000 0.509 201 V N 0.818 120.633 119.914 -0.166 0.000 3.165 201 V HA 0.452 4.573 4.120 0.002 0.000 0.309 201 V C -0.053 175.964 176.094 -0.129 0.000 1.267 201 V CA -0.518 61.538 62.300 -0.406 0.000 1.067 201 V CB 1.550 32.759 31.823 -1.023 0.000 1.082 201 V HN 1.092 nan 8.190 nan 0.000 0.451 202 H N 1.826 120.983 119.070 0.144 0.000 2.713 202 H HA -0.143 4.414 4.556 0.002 0.000 0.311 202 H C 0.774 176.211 175.328 0.181 0.000 1.175 202 H CA 0.882 57.151 56.048 0.369 0.000 1.143 202 H CB -1.378 28.601 29.762 0.361 0.000 1.434 202 H HN 0.773 nan 8.280 nan 0.000 0.418 203 Q N -0.940 119.008 119.800 0.248 0.000 2.461 203 Q HA -0.272 4.069 4.340 0.002 0.000 0.273 203 Q C 0.644 176.697 176.000 0.089 0.000 1.163 203 Q CA 1.323 57.191 55.803 0.107 0.000 0.929 203 Q CB -1.194 27.547 28.738 0.005 0.000 1.334 203 Q HN 0.842 nan 8.270 nan 0.000 0.499 204 R N -1.012 119.557 120.500 0.114 0.000 3.627 204 R HA -0.193 4.148 4.340 0.002 0.000 0.281 204 R C 0.159 176.500 176.300 0.069 0.000 1.140 204 R CA 1.309 57.473 56.100 0.107 0.000 0.761 204 R CB -0.673 29.681 30.300 0.090 0.000 1.181 204 R HN 0.351 nan 8.270 nan 0.000 0.472 205 E N -0.074 120.149 120.200 0.037 0.000 2.284 205 E HA 0.265 4.616 4.350 0.002 0.000 0.255 205 E C 0.586 177.158 176.600 -0.047 0.000 1.052 205 E CA -0.879 55.399 56.400 -0.203 0.000 0.904 205 E CB 0.181 29.500 29.700 -0.635 0.000 1.217 205 E HN 0.123 nan 8.360 nan 0.000 0.438 206 F N 0.101 120.058 119.950 0.013 0.000 3.048 206 F HA -0.244 4.284 4.527 0.002 0.000 0.269 206 F C 1.245 177.070 175.800 0.041 0.000 0.960 206 F CA 0.624 58.636 58.000 0.022 0.000 0.909 206 F CB -2.212 36.808 39.000 0.032 0.000 0.837 206 F HN 0.764 nan 8.300 nan 0.000 0.768 207 G N -0.418 108.447 108.800 0.109 0.000 2.196 207 G HA2 -0.373 3.588 3.960 0.002 0.000 0.268 207 G HA3 -0.373 3.588 3.960 0.002 0.000 0.268 207 G C 0.329 175.339 174.900 0.184 0.000 0.975 207 G CA 0.169 45.316 45.100 0.080 0.000 0.648 207 G HN 0.625 nan 8.290 nan 0.000 0.538 208 I N 0.826 121.549 120.570 0.254 0.000 2.505 208 I HA 0.235 4.406 4.170 0.002 0.000 0.287 208 I C 1.135 177.397 176.117 0.241 0.000 1.104 208 I CA 0.524 62.015 61.300 0.318 0.000 1.387 208 I CB 0.722 38.930 38.000 0.348 0.000 1.404 208 I HN 0.223 nan 8.210 nan 0.000 0.528 209 E N 5.574 125.925 120.200 0.252 0.000 2.572 209 E HA 0.112 4.463 4.350 0.002 0.000 0.220 209 E C -0.275 176.424 176.600 0.164 0.000 0.945 209 E CA -0.096 56.413 56.400 0.181 0.000 1.070 209 E CB 0.705 30.502 29.700 0.162 0.000 1.090 209 E HN 0.640 nan 8.360 nan 0.000 0.506 210 K N -2.028 118.488 120.400 0.193 0.000 2.499 210 K HA 0.620 4.941 4.320 0.002 0.000 0.284 210 K C 0.021 176.718 176.600 0.162 0.000 1.039 210 K CA -0.884 55.467 56.287 0.106 0.000 0.873 210 K CB 0.923 33.418 32.500 -0.008 0.000 1.545 210 K HN -0.055 nan 8.250 nan 0.000 0.402 211 G N 0.463 109.281 108.800 0.030 0.000 3.979 211 G HA2 0.210 4.171 3.960 0.002 0.000 0.287 211 G HA3 0.210 4.171 3.960 0.002 0.000 0.287 211 G C -0.731 174.095 174.900 -0.125 0.000 1.011 211 G CA 0.076 45.295 45.100 0.199 0.000 0.818 211 G HN 0.703 nan 8.290 nan 0.000 0.470 212 T N -1.273 112.908 114.554 -0.622 0.000 2.848 212 T HA 0.726 5.077 4.350 0.002 0.000 0.285 212 T C -1.264 172.906 174.700 -0.884 0.000 0.995 212 T CA -0.809 60.990 62.100 -0.501 0.000 0.970 212 T CB 1.645 70.348 68.868 -0.274 0.000 0.976 212 T HN -0.000 nan 8.240 nan 0.000 0.441 213 F N 1.369 121.346 119.950 0.044 0.000 2.659 213 F HA 0.502 5.030 4.527 0.002 0.000 0.342 213 F C -0.620 175.331 175.800 0.251 0.000 1.168 213 F CA -1.514 56.609 58.000 0.205 0.000 1.003 213 F CB 0.896 40.041 39.000 0.242 0.000 1.267 213 F HN 0.591 nan 8.300 nan 0.000 0.463 214 W N 1.924 123.361 121.300 0.229 0.000 2.202 214 W HA 0.463 5.124 4.660 0.002 0.000 0.332 214 W C 0.599 176.897 176.519 -0.368 0.000 1.263 214 W CA -0.308 57.030 57.345 -0.011 0.000 1.223 214 W CB 0.939 30.386 29.460 -0.022 0.000 1.128 214 W HN 0.501 nan 8.180 nan 0.000 0.573 215 S N 2.112 117.424 115.700 -0.647 0.000 2.580 215 S HA 0.200 4.671 4.470 0.002 0.000 0.274 215 S C -1.824 172.544 174.600 -0.387 0.000 1.329 215 S CA -1.117 56.285 58.200 -1.330 0.000 1.036 215 S CB 1.231 63.413 63.200 -1.696 0.000 0.919 215 S HN 0.283 nan 8.310 nan 0.000 0.515 216 P HA -0.176 nan 4.420 nan 0.000 0.219 216 P C 0.445 177.715 177.300 -0.050 0.000 1.151 216 P CA 1.578 64.661 63.100 -0.029 0.000 0.850 216 P CB -0.009 31.709 31.700 0.030 0.000 0.784 217 K N -2.227 118.117 120.400 -0.094 0.000 2.399 217 K HA 0.341 4.662 4.320 0.002 0.000 0.204 217 K C 1.076 177.635 176.600 -0.067 0.000 1.023 217 K CA 0.455 56.702 56.287 -0.067 0.000 1.127 217 K CB -0.111 32.358 32.500 -0.052 0.000 0.856 217 K HN 0.058 nan 8.250 nan 0.000 0.514 218 G N 1.269 110.032 108.800 -0.062 0.000 2.187 218 G HA2 -0.329 3.632 3.960 0.002 0.000 0.261 218 G HA3 -0.329 3.632 3.960 0.002 0.000 0.261 218 G C 0.866 175.829 174.900 0.106 0.000 1.000 218 G CA 0.890 46.004 45.100 0.024 0.000 0.718 218 G HN 0.357 nan 8.290 nan 0.000 0.519 219 S N -1.465 114.227 115.700 -0.013 0.000 2.395 219 S HA 0.148 4.619 4.470 0.002 0.000 0.225 219 S C 1.189 175.763 174.600 -0.044 0.000 1.027 219 S CA 1.064 59.255 58.200 -0.016 0.000 0.965 219 S CB 0.279 63.448 63.200 -0.051 0.000 0.812 219 S HN 0.771 nan 8.310 nan 0.000 0.482 220 C N 1.029 120.223 119.300 -0.176 0.000 2.779 220 C HA 0.793 5.254 4.460 0.002 0.000 0.314 220 C C -0.683 174.207 174.990 -0.167 0.000 1.231 220 C CA -1.073 57.798 59.018 -0.245 0.000 1.652 220 C CB 1.421 28.927 27.740 -0.390 0.000 2.198 220 C HN 0.437 nan 8.230 nan 0.000 0.483 221 L N 2.515 123.665 121.223 -0.123 0.000 2.377 221 L HA 0.752 5.093 4.340 0.002 0.000 0.270 221 L C 0.092 177.020 176.870 0.096 0.000 0.991 221 L CA -0.046 54.645 54.840 -0.249 0.000 0.851 221 L CB 0.665 42.373 42.059 -0.585 0.000 1.218 221 L HN 0.881 nan 8.230 nan 0.000 0.420 222 A N 4.636 127.614 122.820 0.264 0.000 2.316 222 A HA 0.820 5.141 4.320 0.002 0.000 0.284 222 A C -0.873 176.858 177.584 0.244 0.000 1.115 222 A CA -0.206 51.950 52.037 0.197 0.000 0.812 222 A CB 0.283 19.419 19.000 0.228 0.000 1.064 222 A HN 0.870 nan 8.150 nan 0.000 0.489 223 F N -1.309 118.647 119.950 0.009 0.000 2.678 223 F HA 0.613 5.141 4.527 0.002 0.000 0.308 223 F C -1.366 174.460 175.800 0.045 0.000 1.118 223 F CA -1.486 56.532 58.000 0.031 0.000 0.959 223 F CB 0.604 39.592 39.000 -0.021 0.000 1.305 223 F HN 0.521 nan 8.300 nan 0.000 0.443 224 Y N 1.410 121.917 120.300 0.344 0.000 2.301 224 Y HA 0.539 5.090 4.550 0.002 0.000 0.328 224 Y C 0.488 176.555 175.900 0.279 0.000 1.242 224 Y CA -0.573 57.638 58.100 0.186 0.000 1.323 224 Y CB 1.171 39.710 38.460 0.131 0.000 1.266 224 Y HN 0.663 nan 8.280 nan 0.000 0.527 225 R N 4.188 124.880 120.500 0.320 0.000 2.473 225 R HA 0.381 4.722 4.340 0.002 0.000 0.303 225 R C -1.633 174.623 176.300 -0.074 0.000 1.002 225 R CA -0.605 55.545 56.100 0.082 0.000 0.884 225 R CB 0.899 31.345 30.300 0.242 0.000 1.173 225 R HN 0.834 nan 8.270 nan 0.000 0.464 226 M N 4.445 123.922 119.600 -0.206 0.000 2.072 226 M HA 0.218 4.699 4.480 0.002 0.000 0.331 226 M C -1.105 175.057 176.300 -0.230 0.000 1.004 226 M CA -0.501 54.659 55.300 -0.235 0.000 0.952 226 M CB 1.186 33.583 32.600 -0.339 0.000 1.511 226 M HN 0.428 nan 8.290 nan 0.000 0.422 227 D N 4.983 125.292 120.400 -0.153 0.000 2.411 227 D HA 0.093 4.734 4.640 0.002 0.000 0.225 227 D C 0.015 176.235 176.300 -0.132 0.000 1.156 227 D CA 0.082 53.994 54.000 -0.148 0.000 0.874 227 D CB 0.900 41.644 40.800 -0.092 0.000 1.034 227 D HN 0.792 nan 8.370 nan 0.000 0.502 228 Q N 1.360 121.051 119.800 -0.182 0.000 2.188 228 Q HA 0.068 4.409 4.340 0.002 0.000 0.212 228 Q C 1.031 176.934 176.000 -0.161 0.000 0.846 228 Q CA -0.296 55.432 55.803 -0.125 0.000 0.989 228 Q CB 0.170 28.825 28.738 -0.140 0.000 1.114 228 Q HN 0.276 nan 8.270 nan 0.000 0.488 229 S N 1.266 116.858 115.700 -0.180 0.000 2.500 229 S HA -0.112 4.359 4.470 0.002 0.000 0.239 229 S C 1.718 176.297 174.600 -0.036 0.000 0.989 229 S CA 0.702 58.833 58.200 -0.114 0.000 0.951 229 S CB -0.270 62.864 63.200 -0.111 0.000 0.759 229 S HN 0.602 nan 8.310 nan 0.000 0.523 230 M N 0.582 120.136 119.600 -0.076 0.000 2.475 230 M HA 0.438 4.919 4.480 0.002 0.000 0.261 230 M C -0.600 175.706 176.300 0.010 0.000 1.177 230 M CA -0.304 54.960 55.300 -0.060 0.000 0.979 230 M CB -0.754 31.744 32.600 -0.171 0.000 1.482 230 M HN -0.000 nan 8.290 nan 0.000 0.484 231 V N 1.977 121.953 119.914 0.103 0.000 2.357 231 V HA 0.335 4.456 4.120 0.002 0.000 0.284 231 V C 0.175 176.371 176.094 0.170 0.000 1.018 231 V CA -0.845 61.548 62.300 0.155 0.000 0.841 231 V CB 1.596 33.567 31.823 0.246 0.000 0.991 231 V HN 0.384 nan 8.190 nan 0.000 0.437 232 K N 7.651 128.095 120.400 0.074 0.000 2.402 232 K HA 0.201 4.522 4.320 0.002 0.000 0.285 232 K C -2.108 174.467 176.600 -0.041 0.000 1.054 232 K CA -0.997 55.301 56.287 0.020 0.000 1.001 232 K CB 0.667 33.173 32.500 0.009 0.000 0.946 232 K HN 0.455 nan 8.250 nan 0.000 0.473 233 P HA 0.112 nan 4.420 nan 0.000 0.279 233 P C -0.911 176.280 177.300 -0.182 0.000 1.252 233 P CA -0.478 62.414 63.100 -0.347 0.000 0.811 233 P CB 1.312 32.524 31.700 -0.812 0.000 1.035 234 T N 3.277 117.746 114.554 -0.141 0.000 2.824 234 T HA 0.419 4.770 4.350 0.002 0.000 0.280 234 T C -2.308 172.341 174.700 -0.084 0.000 0.995 234 T CA -1.424 60.626 62.100 -0.083 0.000 1.009 234 T CB 0.998 69.829 68.868 -0.061 0.000 0.955 234 T HN 0.386 nan 8.240 nan 0.000 0.452 235 P HA 0.372 nan 4.420 nan 0.000 0.279 235 P C -1.038 176.267 177.300 0.007 0.000 1.239 235 P CA -0.520 62.558 63.100 -0.036 0.000 0.789 235 P CB 0.820 32.501 31.700 -0.031 0.000 0.933 236 I N 3.462 124.035 120.570 0.006 0.000 2.437 236 I HA 0.173 4.344 4.170 0.002 0.000 0.279 236 I C 0.079 176.193 176.117 -0.005 0.000 1.028 236 I CA -0.905 60.413 61.300 0.031 0.000 1.142 236 I CB 1.491 39.509 38.000 0.029 0.000 1.266 236 I HN 0.034 nan 8.210 nan 0.000 0.461 237 V N 5.089 125.000 119.914 -0.004 0.000 2.498 237 V HA 0.190 4.311 4.120 0.002 0.000 0.279 237 V C 0.181 176.112 176.094 -0.270 0.000 1.048 237 V CA -0.447 61.730 62.300 -0.205 0.000 0.967 237 V CB 1.727 33.316 31.823 -0.389 0.000 0.988 237 V HN 0.634 nan 8.190 nan 0.000 0.473 238 D N 3.089 123.314 120.400 -0.293 0.000 2.412 238 D HA 0.247 4.888 4.640 0.002 0.000 0.224 238 D C 0.038 176.152 176.300 -0.310 0.000 1.093 238 D CA -0.298 53.590 54.000 -0.186 0.000 0.850 238 D CB 0.677 41.441 40.800 -0.059 0.000 1.046 238 D HN 0.497 nan 8.370 nan 0.000 0.507 239 Y N 2.179 122.369 120.300 -0.182 0.000 2.462 239 Y HA 0.048 4.599 4.550 0.002 0.000 0.293 239 Y C 1.732 177.480 175.900 -0.253 0.000 1.195 239 Y CA 0.081 58.061 58.100 -0.200 0.000 1.276 239 Y CB 0.163 38.504 38.460 -0.197 0.000 1.082 239 Y HN 0.576 nan 8.280 nan 0.000 0.514 240 H N -1.013 118.110 119.070 0.089 0.000 2.415 240 H HA 0.112 4.669 4.556 0.002 0.000 0.297 240 H C -1.196 174.155 175.328 0.039 0.000 1.048 240 H CA 0.225 56.308 56.048 0.059 0.000 1.365 240 H CB -1.345 28.435 29.762 0.031 0.000 1.421 240 H HN 0.236 nan 8.280 nan 0.000 0.533 241 P HA -0.083 nan 4.420 nan 0.000 0.270 241 P C 1.322 178.658 177.300 0.059 0.000 1.227 241 P CA -0.109 63.034 63.100 0.071 0.000 0.788 241 P CB 0.880 32.601 31.700 0.036 0.000 0.926 242 L N 0.860 122.111 121.223 0.047 0.000 1.976 242 L HA -0.203 4.138 4.340 0.002 0.000 0.223 242 L C 0.368 177.262 176.870 0.040 0.000 1.081 242 L CA 2.086 56.951 54.840 0.042 0.000 0.784 242 L CB -0.988 41.089 42.059 0.031 0.000 0.896 242 L HN 0.410 nan 8.230 nan 0.000 0.438 243 E N 0.018 120.234 120.200 0.026 0.000 2.216 243 E HA 0.538 4.889 4.350 0.002 0.000 0.279 243 E C -0.014 176.584 176.600 -0.004 0.000 0.997 243 E CA 0.145 56.556 56.400 0.018 0.000 0.817 243 E CB 1.060 30.765 29.700 0.009 0.000 1.096 243 E HN 0.452 nan 8.360 nan 0.000 0.393 244 A N 3.251 126.059 122.820 -0.021 0.000 2.531 244 A HA 0.103 4.424 4.320 0.002 0.000 0.236 244 A C -0.109 177.390 177.584 -0.140 0.000 1.062 244 A CA 0.093 52.048 52.037 -0.136 0.000 0.760 244 A CB 0.188 19.016 19.000 -0.286 0.000 0.995 244 A HN 0.650 nan 8.150 nan 0.000 0.501 245 E N 0.433 120.536 120.200 -0.162 0.000 2.212 245 E HA 0.500 4.851 4.350 0.002 0.000 0.268 245 E C -0.875 175.648 176.600 -0.129 0.000 0.902 245 E CA -0.490 55.847 56.400 -0.105 0.000 0.779 245 E CB 1.907 31.575 29.700 -0.053 0.000 1.172 245 E HN 0.529 nan 8.360 nan 0.000 0.409 246 S N 2.468 118.118 115.700 -0.083 0.000 2.478 246 S HA 0.353 4.824 4.470 0.002 0.000 0.312 246 S C -1.010 173.573 174.600 -0.028 0.000 1.094 246 S CA -0.767 57.392 58.200 -0.069 0.000 1.081 246 S CB 0.639 63.801 63.200 -0.064 0.000 1.007 246 S HN 0.423 nan 8.310 nan 0.000 0.475 247 K N 4.758 125.150 120.400 -0.015 0.000 2.221 247 K HA 0.609 4.930 4.320 0.002 0.000 0.258 247 K C -2.674 173.929 176.600 0.004 0.000 0.944 247 K CA -2.404 53.894 56.287 0.018 0.000 0.823 247 K CB 1.419 33.943 32.500 0.040 0.000 1.113 247 K HN 0.408 nan 8.250 nan 0.000 0.431 248 P HA 0.108 nan 4.420 nan 0.000 0.284 248 P C -1.261 175.974 177.300 -0.109 0.000 1.253 248 P CA -0.636 62.396 63.100 -0.114 0.000 0.800 248 P CB 0.981 32.563 31.700 -0.198 0.000 0.961 249 L N 4.631 125.756 121.223 -0.163 0.000 2.294 249 L HA 0.350 4.691 4.340 0.002 0.000 0.283 249 L C -0.681 176.121 176.870 -0.112 0.000 1.015 249 L CA -0.842 53.984 54.840 -0.024 0.000 0.831 249 L CB 0.358 42.444 42.059 0.045 0.000 1.217 249 L HN 0.180 nan 8.230 nan 0.000 0.420 250 Y N 5.001 125.374 120.300 0.122 0.000 3.028 250 Y HA 0.081 4.632 4.550 0.002 0.000 0.381 250 Y C -0.348 175.643 175.900 0.152 0.000 1.139 250 Y CA 0.113 58.286 58.100 0.120 0.000 2.013 250 Y CB -0.982 37.533 38.460 0.091 0.000 2.146 250 Y HN 0.520 nan 8.280 nan 0.000 0.412 251 Y N 5.063 125.403 120.300 0.067 0.000 2.585 251 Y HA 0.221 4.772 4.550 0.002 0.000 0.354 251 Y C -2.140 173.784 175.900 0.040 0.000 1.024 251 Y CA -3.345 54.783 58.100 0.048 0.000 1.321 251 Y CB 0.512 38.971 38.460 -0.001 0.000 1.151 251 Y HN 0.198 nan 8.280 nan 0.000 0.525 252 P HA 0.089 nan 4.420 nan 0.000 0.279 252 P C -0.710 176.520 177.300 -0.117 0.000 1.318 252 P CA 0.134 63.182 63.100 -0.086 0.000 0.819 252 P CB 0.536 32.169 31.700 -0.113 0.000 0.927 253 M N 2.526 122.153 119.600 0.046 0.000 2.241 253 M HA 0.351 4.833 4.480 0.002 0.000 0.335 253 M C 0.989 177.355 176.300 0.110 0.000 1.122 253 M CA -0.539 54.833 55.300 0.120 0.000 1.164 253 M CB 0.756 33.459 32.600 0.172 0.000 1.459 253 M HN 0.331 nan 8.290 nan 0.000 0.461 254 A N 1.757 124.691 122.820 0.191 0.000 2.603 254 A HA 0.309 4.630 4.320 0.002 0.000 0.235 254 A C 1.322 178.961 177.584 0.092 0.000 1.035 254 A CA 0.901 53.060 52.037 0.203 0.000 0.755 254 A CB -0.984 18.233 19.000 0.362 0.000 0.954 254 A HN 1.270 nan 8.150 nan 0.000 0.511 255 G N 1.529 110.368 108.800 0.065 0.000 2.245 255 G HA2 -0.223 3.738 3.960 0.002 0.000 0.264 255 G HA3 -0.223 3.738 3.960 0.002 0.000 0.264 255 G C 0.722 175.630 174.900 0.014 0.000 0.985 255 G CA 1.428 46.535 45.100 0.010 0.000 0.625 255 G HN 2.258 nan 8.290 nan 0.000 0.536 256 T N -1.070 113.502 114.554 0.030 0.000 2.862 256 T HA 0.635 4.986 4.350 0.002 0.000 0.276 256 T C -2.583 172.131 174.700 0.023 0.000 0.974 256 T CA -1.471 60.643 62.100 0.023 0.000 0.966 256 T CB 1.964 70.849 68.868 0.029 0.000 1.072 256 T HN 0.040 nan 8.240 nan 0.000 0.538 257 P HA 0.240 nan 4.420 nan 0.000 0.267 257 P C -0.255 177.057 177.300 0.020 0.000 1.209 257 P CA -0.067 63.049 63.100 0.026 0.000 0.763 257 P CB 0.561 32.273 31.700 0.018 0.000 0.816 258 S N 2.765 118.481 115.700 0.027 0.000 2.624 258 S HA 0.163 4.634 4.470 0.002 0.000 0.263 258 S C 0.264 174.896 174.600 0.054 0.000 1.287 258 S CA -0.601 57.584 58.200 -0.024 0.000 0.990 258 S CB 0.094 63.278 63.200 -0.026 0.000 0.950 258 S HN 0.530 nan 8.310 nan 0.000 0.561 259 H N 0.282 119.442 119.070 0.151 0.000 2.597 259 H HA 0.311 4.868 4.556 0.002 0.000 0.370 259 H C -0.602 174.879 175.328 0.255 0.000 1.281 259 H CA -0.556 55.548 56.048 0.093 0.000 1.422 259 H CB 0.143 29.944 29.762 0.064 0.000 1.524 259 H HN 0.678 nan 8.280 nan 0.000 0.607 260 H N 0.533 119.708 119.070 0.176 0.000 2.595 260 H HA 0.338 4.895 4.556 0.002 0.000 0.313 260 H C -0.682 174.661 175.328 0.025 0.000 1.023 260 H CA -0.953 55.144 56.048 0.082 0.000 1.218 260 H CB 1.590 31.358 29.762 0.009 0.000 1.403 260 H HN 0.220 nan 8.280 nan 0.000 0.477 261 V N 3.500 123.513 119.914 0.165 0.000 2.547 261 V HA 0.371 4.492 4.120 0.002 0.000 0.299 261 V C 0.283 176.423 176.094 0.077 0.000 1.040 261 V CA -0.588 61.743 62.300 0.052 0.000 0.913 261 V CB 1.811 33.603 31.823 -0.050 0.000 0.992 261 V HN 0.917 nan 8.190 nan 0.000 0.449 262 T N 0.694 115.308 114.554 0.100 0.000 2.900 262 T HA 0.725 5.076 4.350 0.002 0.000 0.303 262 T C -1.001 173.790 174.700 0.153 0.000 1.142 262 T CA -0.743 61.423 62.100 0.110 0.000 1.007 262 T CB 1.760 70.683 68.868 0.093 0.000 1.156 262 T HN 0.269 nan 8.240 nan 0.000 0.490 263 V N 1.675 121.594 119.914 0.008 0.000 2.370 263 V HA 0.735 4.856 4.120 0.002 0.000 0.283 263 V C 0.917 176.729 176.094 -0.470 0.000 1.023 263 V CA -0.354 61.802 62.300 -0.238 0.000 0.857 263 V CB 1.164 32.769 31.823 -0.364 0.000 0.985 263 V HN 1.236 nan 8.190 nan 0.000 0.443 264 G N 4.458 112.640 108.800 -1.030 0.000 2.434 264 G HA2 0.779 4.740 3.960 0.002 0.000 0.330 264 G HA3 0.779 4.740 3.960 0.002 0.000 0.330 264 G C -0.924 173.292 174.900 -1.141 0.000 1.155 264 G CA -0.600 43.507 45.100 -1.655 0.000 0.917 264 G HN 0.608 nan 8.290 nan 0.000 0.493 265 I N 0.813 120.998 120.570 -0.642 0.000 2.468 265 I HA 0.181 4.352 4.170 0.002 0.000 0.285 265 I C -1.449 174.646 176.117 -0.037 0.000 1.039 265 I CA -0.737 60.414 61.300 -0.248 0.000 1.074 265 I CB 2.089 39.989 38.000 -0.167 0.000 1.228 265 I HN 0.489 nan 8.210 nan 0.000 0.436 266 Y N 6.162 126.444 120.300 -0.030 0.000 2.326 266 Y HA 0.363 4.914 4.550 0.002 0.000 0.337 266 Y C -0.218 175.613 175.900 -0.114 0.000 1.023 266 Y CA -0.291 57.813 58.100 0.007 0.000 1.143 266 Y CB 0.614 39.089 38.460 0.024 0.000 1.183 266 Y HN 0.425 nan 8.280 nan 0.000 0.485 267 H N 8.558 127.284 119.070 -0.573 0.000 2.641 267 H HA 0.122 4.679 4.556 0.002 0.000 0.295 267 H C 0.623 175.556 175.328 -0.657 0.000 1.070 267 H CA -0.227 55.567 56.048 -0.423 0.000 1.257 267 H CB 1.454 31.070 29.762 -0.243 0.000 1.393 267 H HN 0.786 nan 8.280 nan 0.000 0.464 268 L N 2.985 124.043 121.223 -0.276 0.000 2.043 268 L HA -0.245 4.096 4.340 0.002 0.000 0.212 268 L C 2.607 179.440 176.870 -0.062 0.000 1.075 268 L CA 1.933 56.717 54.840 -0.093 0.000 0.752 268 L CB -0.700 41.433 42.059 0.123 0.000 0.891 268 L HN 0.685 nan 8.230 nan 0.000 0.432 269 A N -0.671 122.129 122.820 -0.034 0.000 1.865 269 A HA -0.244 4.077 4.320 0.002 0.000 0.217 269 A C 2.389 179.950 177.584 -0.039 0.000 1.191 269 A CA 2.685 54.712 52.037 -0.016 0.000 0.623 269 A CB -1.095 17.904 19.000 -0.001 0.000 0.826 269 A HN 0.519 nan 8.150 nan 0.000 0.444 270 T N -5.163 109.346 114.554 -0.075 0.000 3.037 270 T HA 0.414 4.765 4.350 0.002 0.000 0.251 270 T C 1.485 176.133 174.700 -0.087 0.000 1.079 270 T CA 1.084 63.139 62.100 -0.076 0.000 1.067 270 T CB 0.245 69.056 68.868 -0.096 0.000 0.948 270 T HN 1.795 nan 8.240 nan 0.000 0.496 271 G N 1.805 110.480 108.800 -0.208 0.000 2.189 271 G HA2 -0.315 3.646 3.960 0.002 0.000 0.267 271 G HA3 -0.315 3.646 3.960 0.002 0.000 0.267 271 G C 0.004 174.857 174.900 -0.078 0.000 0.975 271 G CA 0.536 45.532 45.100 -0.173 0.000 0.644 271 G HN 0.880 nan 8.290 nan 0.000 0.537 272 K N 0.701 121.032 120.400 -0.114 0.000 2.185 272 K HA 0.527 4.848 4.320 0.002 0.000 0.271 272 K C -0.477 176.166 176.600 0.073 0.000 1.013 272 K CA 0.127 56.413 56.287 -0.001 0.000 0.943 272 K CB 0.500 32.974 32.500 -0.045 0.000 0.998 272 K HN 0.057 nan 8.250 nan 0.000 0.468 273 T N 2.338 116.984 114.554 0.154 0.000 2.863 273 T HA 0.447 4.798 4.350 0.002 0.000 0.285 273 T C -1.286 173.491 174.700 0.130 0.000 1.009 273 T CA -0.642 61.570 62.100 0.186 0.000 0.989 273 T CB 1.615 70.635 68.868 0.254 0.000 1.004 273 T HN 0.332 nan 8.240 nan 0.000 0.455 274 V N 3.094 123.033 119.914 0.042 0.000 2.686 274 V HA 0.457 4.578 4.120 0.002 0.000 0.306 274 V C -1.506 174.499 176.094 -0.148 0.000 1.065 274 V CA -0.971 61.352 62.300 0.039 0.000 0.894 274 V CB 1.791 33.664 31.823 0.084 0.000 1.004 274 V HN 0.828 nan 8.190 nan 0.000 0.424 275 Y N 3.736 124.017 120.300 -0.032 0.000 2.342 275 Y HA 0.567 5.118 4.550 0.002 0.000 0.334 275 Y C 0.476 176.304 175.900 -0.119 0.000 1.067 275 Y CA -0.708 57.331 58.100 -0.102 0.000 1.128 275 Y CB 1.414 39.833 38.460 -0.068 0.000 1.200 275 Y HN 0.439 nan 8.280 nan 0.000 0.464 276 L N 3.539 124.699 121.223 -0.104 0.000 2.490 276 L HA 0.041 4.383 4.340 0.002 0.000 0.274 276 L C 0.230 177.038 176.870 -0.103 0.000 1.201 276 L CA 0.141 54.846 54.840 -0.226 0.000 0.869 276 L CB 0.259 41.932 42.059 -0.644 0.000 1.123 276 L HN 0.584 nan 8.230 nan 0.000 0.484 277 Q N 1.296 121.114 119.800 0.029 0.000 3.181 277 Q HA 0.032 4.373 4.340 0.002 0.000 0.293 277 Q C 1.077 177.157 176.000 0.133 0.000 1.406 277 Q CA -0.163 55.694 55.803 0.091 0.000 1.026 277 Q CB 0.093 28.917 28.738 0.143 0.000 1.630 277 Q HN 0.741 nan 8.270 nan 0.000 0.553 278 T N -2.483 112.058 114.554 -0.021 0.000 3.098 278 T HA 0.085 4.436 4.350 0.002 0.000 0.266 278 T C 1.201 175.893 174.700 -0.012 0.000 1.145 278 T CA 0.129 62.228 62.100 -0.002 0.000 1.092 278 T CB -0.232 68.566 68.868 -0.118 0.000 0.908 278 T HN 0.662 nan 8.240 nan 0.000 0.526 279 G N 1.346 110.127 108.800 -0.032 0.000 2.601 279 G HA2 -0.196 3.765 3.960 0.002 0.000 0.252 279 G HA3 -0.196 3.765 3.960 0.002 0.000 0.252 279 G C -0.701 174.137 174.900 -0.103 0.000 1.294 279 G CA -0.152 44.904 45.100 -0.073 0.000 0.912 279 G HN 0.578 nan 8.290 nan 0.000 0.574 280 E N 1.051 121.181 120.200 -0.116 0.000 2.281 280 E HA 0.512 4.863 4.350 0.002 0.000 0.262 280 E C -2.154 174.363 176.600 -0.139 0.000 0.933 280 E CA -1.497 54.823 56.400 -0.134 0.000 0.809 280 E CB 1.983 31.613 29.700 -0.116 0.000 1.242 280 E HN 0.530 nan 8.360 nan 0.000 0.418 281 P HA 0.074 nan 4.420 nan 0.000 0.272 281 P C -0.130 177.026 177.300 -0.239 0.000 1.223 281 P CA -0.070 62.923 63.100 -0.180 0.000 0.784 281 P CB 1.116 32.713 31.700 -0.171 0.000 0.923 282 K N 0.937 121.140 120.400 -0.329 0.000 2.209 282 K HA -0.124 4.197 4.320 0.002 0.000 0.204 282 K C 1.548 177.879 176.600 -0.448 0.000 1.048 282 K CA 1.363 57.359 56.287 -0.486 0.000 0.940 282 K CB -0.037 31.901 32.500 -0.938 0.000 0.729 282 K HN 0.543 nan 8.250 nan 0.000 0.451 283 E N 1.287 121.261 120.200 -0.376 0.000 2.516 283 E HA -0.046 4.305 4.350 0.002 0.000 0.199 283 E C -0.388 175.919 176.600 -0.488 0.000 1.069 283 E CA 0.179 56.400 56.400 -0.299 0.000 0.876 283 E CB 0.041 29.582 29.700 -0.265 0.000 0.843 283 E HN 0.220 nan 8.360 nan 0.000 0.530 284 K N 1.066 121.237 120.400 -0.382 0.000 2.543 284 K HA -0.081 4.240 4.320 0.002 0.000 0.279 284 K C -0.445 175.922 176.600 -0.389 0.000 1.001 284 K CA 0.356 56.414 56.287 -0.382 0.000 1.088 284 K CB 0.157 32.539 32.500 -0.197 0.000 0.863 284 K HN -0.079 nan 8.250 nan 0.000 0.488 285 F N 3.793 123.583 119.950 -0.267 0.000 2.413 285 F HA 0.168 4.696 4.527 0.002 0.000 0.359 285 F C 0.519 176.170 175.800 -0.248 0.000 1.122 285 F CA -0.588 57.083 58.000 -0.549 0.000 1.160 285 F CB 0.217 38.685 39.000 -0.886 0.000 1.146 285 F HN 0.173 nan 8.300 nan 0.000 0.514 286 L N 4.552 125.953 121.223 0.298 0.000 2.282 286 L HA 0.379 4.720 4.340 0.002 0.000 0.287 286 L C 0.442 177.492 176.870 0.300 0.000 1.075 286 L CA -0.415 54.566 54.840 0.235 0.000 0.839 286 L CB 0.188 42.409 42.059 0.270 0.000 1.219 286 L HN 0.659 nan 8.230 nan 0.000 0.434 287 T N -0.628 114.004 114.554 0.129 0.000 2.930 287 T HA 0.354 4.705 4.350 0.002 0.000 0.290 287 T C 0.327 175.103 174.700 0.126 0.000 1.052 287 T CA -0.784 61.418 62.100 0.170 0.000 1.017 287 T CB 1.565 70.467 68.868 0.056 0.000 1.137 287 T HN 0.601 nan 8.240 nan 0.000 0.511 288 N N 1.257 120.054 118.700 0.163 0.000 2.688 288 N HA -0.122 4.619 4.740 0.002 0.000 0.258 288 N C -0.355 175.155 175.510 -0.000 0.000 1.016 288 N CA 0.245 53.374 53.050 0.131 0.000 0.747 288 N CB -1.180 37.443 38.487 0.226 0.000 0.895 288 N HN 0.664 nan 8.380 nan 0.000 0.543 289 L N 0.592 121.661 121.223 -0.258 0.000 2.559 289 L HA 0.022 4.363 4.340 0.002 0.000 0.274 289 L C 0.617 177.387 176.870 -0.168 0.000 1.205 289 L CA 0.845 55.433 54.840 -0.421 0.000 0.907 289 L CB 0.302 41.746 42.059 -1.025 0.000 1.153 289 L HN 0.159 nan 8.230 nan 0.000 0.490 290 S N 2.424 118.092 115.700 -0.052 0.000 2.707 290 S HA 0.343 4.814 4.470 0.002 0.000 0.303 290 S C -0.810 173.930 174.600 0.233 0.000 1.132 290 S CA -0.771 57.529 58.200 0.167 0.000 1.046 290 S CB 0.959 64.269 63.200 0.183 0.000 1.004 290 S HN 0.389 nan 8.310 nan 0.000 0.483 291 W N 2.701 124.152 121.300 0.253 0.000 2.161 291 W HA 0.389 5.050 4.660 0.002 0.000 0.344 291 W C 0.986 177.668 176.519 0.271 0.000 1.262 291 W CA -0.107 57.368 57.345 0.216 0.000 1.270 291 W CB 0.627 30.183 29.460 0.161 0.000 1.126 291 W HN 0.636 nan 8.180 nan 0.000 0.598 292 S N 1.640 117.610 115.700 0.450 0.000 2.562 292 S HA 0.288 4.759 4.470 0.002 0.000 0.275 292 S C -1.987 172.613 174.600 0.000 0.000 1.281 292 S CA -1.234 57.011 58.200 0.075 0.000 1.045 292 S CB 1.651 64.920 63.200 0.115 0.000 0.962 292 S HN 0.241 nan 8.310 nan 0.000 0.503 293 P HA -0.127 nan 4.420 nan 0.000 0.218 293 P C 0.804 178.085 177.300 -0.030 0.000 1.146 293 P CA 1.308 64.355 63.100 -0.089 0.000 0.813 293 P CB -0.006 31.606 31.700 -0.146 0.000 0.778 294 D N -0.616 119.757 120.400 -0.046 0.000 2.224 294 D HA -0.145 4.496 4.640 0.002 0.000 0.205 294 D C 0.848 177.186 176.300 0.064 0.000 0.965 294 D CA 0.772 54.776 54.000 0.007 0.000 0.852 294 D CB -0.327 40.473 40.800 -0.000 0.000 0.947 294 D HN 0.064 nan 8.370 nan 0.000 0.494 295 E N -1.975 118.312 120.200 0.145 0.000 3.916 295 E HA -0.249 4.102 4.350 0.002 0.000 0.331 295 E C 0.549 177.341 176.600 0.320 0.000 0.729 295 E CA 0.710 57.262 56.400 0.253 0.000 1.222 295 E CB -1.325 28.399 29.700 0.040 0.000 1.633 295 E HN 0.398 nan 8.360 nan 0.000 0.437 296 N N -0.065 118.747 118.700 0.186 0.000 2.395 296 N HA 0.051 4.793 4.740 0.002 0.000 0.175 296 N C 0.510 176.055 175.510 0.059 0.000 1.029 296 N CA 0.754 53.880 53.050 0.126 0.000 0.897 296 N CB 0.501 39.023 38.487 0.059 0.000 0.991 296 N HN 0.152 nan 8.380 nan 0.000 0.441 297 I N 1.231 121.804 120.570 0.006 0.000 2.530 297 I HA 0.292 4.463 4.170 0.002 0.000 0.297 297 I C -0.569 175.336 176.117 -0.353 0.000 1.011 297 I CA -0.989 60.173 61.300 -0.229 0.000 1.107 297 I CB 2.064 39.825 38.000 -0.398 0.000 1.285 297 I HN -0.159 nan 8.210 nan 0.000 0.436 298 L N 7.273 128.170 121.223 -0.543 0.000 2.345 298 L HA 0.466 4.807 4.340 0.002 0.000 0.274 298 L C -1.244 175.326 176.870 -0.500 0.000 0.999 298 L CA -0.314 54.109 54.840 -0.694 0.000 0.849 298 L CB 0.803 42.307 42.059 -0.925 0.000 1.220 298 L HN 0.266 nan 8.230 nan 0.000 0.422 299 Y N 3.868 124.037 120.300 -0.219 0.000 2.309 299 Y HA 0.574 5.125 4.550 0.002 0.000 0.327 299 Y C 0.221 176.023 175.900 -0.163 0.000 1.172 299 Y CA -0.184 57.824 58.100 -0.155 0.000 1.280 299 Y CB 1.322 39.674 38.460 -0.180 0.000 1.234 299 Y HN 0.330 nan 8.280 nan 0.000 0.512 300 V N 2.124 122.065 119.914 0.046 0.000 2.709 300 V HA 0.643 4.764 4.120 0.002 0.000 0.308 300 V C -0.553 175.535 176.094 -0.011 0.000 1.062 300 V CA -1.313 60.985 62.300 -0.004 0.000 0.901 300 V CB 1.822 33.636 31.823 -0.015 0.000 1.003 300 V HN 0.842 nan 8.190 nan 0.000 0.425 301 A N 3.451 126.268 122.820 -0.006 0.000 2.478 301 A HA 0.575 4.896 4.320 0.002 0.000 0.327 301 A C 0.087 177.659 177.584 -0.020 0.000 1.431 301 A CA -0.375 51.652 52.037 -0.016 0.000 1.014 301 A CB -0.203 18.884 19.000 0.145 0.000 1.143 301 A HN 0.855 nan 8.150 nan 0.000 0.532 302 E N 1.268 121.443 120.200 -0.042 0.000 2.229 302 E HA 0.423 4.774 4.350 0.002 0.000 0.283 302 E C -0.841 175.721 176.600 -0.064 0.000 1.030 302 E CA -0.292 56.080 56.400 -0.047 0.000 0.836 302 E CB 1.678 31.362 29.700 -0.027 0.000 1.068 302 E HN 0.380 nan 8.360 nan 0.000 0.401 303 V N 3.870 123.734 119.914 -0.083 0.000 2.604 303 V HA 0.166 4.287 4.120 0.002 0.000 0.305 303 V C -0.011 176.092 176.094 0.016 0.000 1.043 303 V CA -1.126 61.157 62.300 -0.030 0.000 0.888 303 V CB 1.735 33.486 31.823 -0.121 0.000 0.995 303 V HN 0.715 nan 8.190 nan 0.000 0.429 304 N N 3.682 122.397 118.700 0.024 0.000 2.408 304 N HA 0.174 4.915 4.740 0.002 0.000 0.260 304 N C 0.803 176.341 175.510 0.048 0.000 1.242 304 N CA -0.748 52.279 53.050 -0.038 0.000 0.959 304 N CB 0.523 38.997 38.487 -0.023 0.000 1.201 304 N HN 0.466 nan 8.380 nan 0.000 0.511 305 R N 0.293 120.751 120.500 -0.070 0.000 2.152 305 R HA 0.039 4.380 4.340 0.002 0.000 0.232 305 R C 1.482 177.885 176.300 0.172 0.000 1.117 305 R CA 1.668 57.790 56.100 0.037 0.000 0.981 305 R CB -1.155 29.105 30.300 -0.067 0.000 0.870 305 R HN 0.759 nan 8.270 nan 0.000 0.451 306 A N -0.085 122.804 122.820 0.115 0.000 2.206 306 A HA 0.015 4.336 4.320 0.002 0.000 0.211 306 A C 0.401 178.080 177.584 0.160 0.000 1.158 306 A CA 0.594 52.708 52.037 0.128 0.000 0.761 306 A CB -0.192 18.860 19.000 0.087 0.000 0.801 306 A HN 0.530 nan 8.150 nan 0.000 0.473 307 Q N -1.292 118.622 119.800 0.190 0.000 2.457 307 Q HA -0.254 4.087 4.340 0.002 0.000 0.283 307 Q C -0.107 175.992 176.000 0.163 0.000 1.234 307 Q CA 0.799 56.723 55.803 0.202 0.000 0.877 307 Q CB -1.602 27.251 28.738 0.193 0.000 1.250 307 Q HN 1.012 nan 8.270 nan 0.000 0.481 308 N N -0.410 118.360 118.700 0.117 0.000 2.177 308 N HA 0.144 4.885 4.740 0.002 0.000 0.218 308 N C -0.410 175.134 175.510 0.057 0.000 1.182 308 N CA -0.103 52.995 53.050 0.080 0.000 0.882 308 N CB 0.806 39.329 38.487 0.060 0.000 1.052 308 N HN 0.355 nan 8.380 nan 0.000 0.519 309 E N -0.023 120.215 120.200 0.063 0.000 2.290 309 E HA 0.409 4.760 4.350 0.002 0.000 0.274 309 E C -1.825 174.799 176.600 0.041 0.000 0.889 309 E CA -0.897 55.528 56.400 0.042 0.000 0.760 309 E CB 1.997 31.707 29.700 0.015 0.000 1.206 309 E HN 0.181 nan 8.360 nan 0.000 0.419 310 C N 5.743 125.067 119.300 0.040 0.000 2.407 310 C HA 0.499 4.960 4.460 0.002 0.000 0.328 310 C C -0.929 174.021 174.990 -0.066 0.000 1.137 310 C CA -0.570 58.461 59.018 0.021 0.000 1.390 310 C CB -0.306 27.501 27.740 0.113 0.000 1.989 310 C HN 0.644 nan 8.230 nan 0.000 0.432 311 K N 4.667 125.002 120.400 -0.109 0.000 2.211 311 K HA 0.543 4.864 4.320 0.002 0.000 0.275 311 K C -0.669 175.761 176.600 -0.284 0.000 1.024 311 K CA -0.412 55.764 56.287 -0.186 0.000 0.887 311 K CB 1.730 34.166 32.500 -0.108 0.000 1.084 311 K HN 0.531 nan 8.250 nan 0.000 0.463 312 V N 4.304 123.881 119.914 -0.562 0.000 2.364 312 V HA 0.166 4.287 4.120 0.002 0.000 0.272 312 V C -0.216 175.673 176.094 -0.341 0.000 1.036 312 V CA -0.818 61.114 62.300 -0.612 0.000 0.880 312 V CB 0.716 31.766 31.823 -1.287 0.000 0.991 312 V HN 0.700 nan 8.190 nan 0.000 0.460 313 N N 2.933 121.559 118.700 -0.124 0.000 2.384 313 N HA 0.754 5.495 4.740 0.002 0.000 0.301 313 N C -0.315 175.090 175.510 -0.175 0.000 1.133 313 N CA -0.399 52.598 53.050 -0.089 0.000 0.853 313 N CB 2.174 40.718 38.487 0.095 0.000 1.241 313 N HN 0.748 nan 8.380 nan 0.000 0.502 314 A N 1.440 123.987 122.820 -0.456 0.000 2.292 314 A HA 0.663 4.984 4.320 0.002 0.000 0.319 314 A C -1.365 175.757 177.584 -0.770 0.000 1.206 314 A CA -0.341 51.328 52.037 -0.614 0.000 0.835 314 A CB 0.164 18.860 19.000 -0.506 0.000 1.164 314 A HN 0.618 nan 8.150 nan 0.000 0.505 315 Y N 0.572 120.587 120.300 -0.476 0.000 2.462 315 Y HA 0.298 4.849 4.550 0.002 0.000 0.346 315 Y C 0.119 175.836 175.900 -0.305 0.000 0.976 315 Y CA -0.700 57.200 58.100 -0.334 0.000 1.044 315 Y CB 1.833 40.138 38.460 -0.258 0.000 1.230 315 Y HN 0.712 nan 8.280 nan 0.000 0.455 316 D N 2.158 122.524 120.400 -0.056 0.000 2.358 316 D HA 0.134 4.775 4.640 0.002 0.000 0.258 316 D C 0.637 176.934 176.300 -0.003 0.000 1.223 316 D CA 0.336 54.307 54.000 -0.048 0.000 0.886 316 D CB 1.561 42.343 40.800 -0.030 0.000 1.120 316 D HN 0.791 nan 8.370 nan 0.000 0.482 317 A N 3.975 126.799 122.820 0.005 0.000 2.168 317 A HA -0.115 4.206 4.320 0.002 0.000 0.215 317 A C 1.805 179.529 177.584 0.234 0.000 1.152 317 A CA 0.985 53.068 52.037 0.078 0.000 0.716 317 A CB -0.081 19.041 19.000 0.204 0.000 0.794 317 A HN 0.621 nan 8.150 nan 0.000 0.465 318 E N -0.340 119.950 120.200 0.149 0.000 2.075 318 E HA -0.081 4.270 4.350 0.002 0.000 0.190 318 E C 2.002 178.627 176.600 0.042 0.000 0.969 318 E CA 1.784 58.236 56.400 0.086 0.000 0.815 318 E CB 0.007 29.716 29.700 0.015 0.000 0.776 318 E HN 0.553 nan 8.360 nan 0.000 0.457 319 T N -4.397 110.181 114.554 0.040 0.000 2.990 319 T HA 0.338 4.689 4.350 0.002 0.000 0.249 319 T C 1.575 176.308 174.700 0.054 0.000 1.039 319 T CA 0.505 62.626 62.100 0.035 0.000 1.036 319 T CB 0.653 69.534 68.868 0.022 0.000 0.994 319 T HN 0.328 nan 8.240 nan 0.000 0.489 320 G N 1.966 110.802 108.800 0.059 0.000 2.175 320 G HA2 -0.234 3.727 3.960 0.002 0.000 0.244 320 G HA3 -0.234 3.727 3.960 0.002 0.000 0.244 320 G C 0.249 175.241 174.900 0.153 0.000 0.982 320 G CA -0.165 44.975 45.100 0.066 0.000 0.641 320 G HN 0.652 nan 8.290 nan 0.000 0.527 321 R N -0.370 120.202 120.500 0.120 0.000 2.679 321 R HA 0.319 4.660 4.340 0.002 0.000 0.268 321 R C 0.293 176.686 176.300 0.154 0.000 1.044 321 R CA -0.323 55.858 56.100 0.136 0.000 1.105 321 R CB 0.338 30.672 30.300 0.057 0.000 0.989 321 R HN 0.256 nan 8.270 nan 0.000 0.447 322 F N 2.451 122.400 119.950 -0.002 0.000 2.504 322 F HA 0.003 4.531 4.527 0.002 0.000 0.369 322 F C 0.804 176.434 175.800 -0.282 0.000 1.082 322 F CA -0.023 57.798 58.000 -0.299 0.000 1.216 322 F CB 0.645 39.516 39.000 -0.216 0.000 1.108 322 F HN 0.178 nan 8.300 nan 0.000 0.554 323 V N 5.581 124.783 119.914 -1.186 0.000 2.521 323 V HA 0.224 4.345 4.120 0.002 0.000 0.239 323 V C 0.043 175.490 176.094 -1.079 0.000 1.053 323 V CA 1.208 63.004 62.300 -0.840 0.000 1.073 323 V CB -0.317 31.168 31.823 -0.563 0.000 0.746 323 V HN 0.875 nan 8.190 nan 0.000 0.476 324 R N -1.820 117.785 120.500 -1.491 0.000 3.033 324 R HA 0.302 4.643 4.340 0.002 0.000 0.284 324 R C -1.443 174.575 176.300 -0.470 0.000 0.997 324 R CA -0.579 54.993 56.100 -0.880 0.000 0.851 324 R CB 0.684 30.775 30.300 -0.349 0.000 1.297 324 R HN -0.074 nan 8.270 nan 0.000 0.518 325 T N 2.554 117.090 114.554 -0.029 0.000 2.738 325 T HA 0.264 4.615 4.350 0.002 0.000 0.298 325 T C 0.910 175.584 174.700 -0.044 0.000 0.962 325 T CA -0.546 61.557 62.100 0.005 0.000 0.972 325 T CB 0.941 69.856 68.868 0.078 0.000 0.928 325 T HN 0.397 nan 8.240 nan 0.000 0.474 326 L N 3.334 124.497 121.223 -0.099 0.000 1.988 326 L HA 0.219 4.560 4.340 0.002 0.000 0.207 326 L C 0.462 177.387 176.870 0.092 0.000 1.071 326 L CA 1.566 56.412 54.840 0.010 0.000 0.744 326 L CB -0.381 41.696 42.059 0.030 0.000 0.893 326 L HN 0.787 nan 8.230 nan 0.000 0.433 327 F N -4.283 115.564 119.950 -0.173 0.000 2.693 327 F HA 0.701 5.229 4.527 0.002 0.000 0.309 327 F C -1.132 174.571 175.800 -0.161 0.000 1.129 327 F CA -1.662 56.241 58.000 -0.161 0.000 0.948 327 F CB 0.816 39.673 39.000 -0.239 0.000 1.315 327 F HN -0.416 nan 8.300 nan 0.000 0.447 328 V N 1.208 121.194 119.914 0.119 0.000 2.735 328 V HA 0.655 4.776 4.120 0.002 0.000 0.310 328 V C -1.078 175.113 176.094 0.162 0.000 1.061 328 V CA -0.757 61.568 62.300 0.042 0.000 0.913 328 V CB 1.849 33.682 31.823 0.018 0.000 1.005 328 V HN 0.906 nan 8.190 nan 0.000 0.428 329 E N 1.496 121.779 120.200 0.139 0.000 2.292 329 E HA 0.743 5.094 4.350 0.002 0.000 0.272 329 E C -0.838 175.819 176.600 0.094 0.000 0.881 329 E CA -0.759 55.730 56.400 0.149 0.000 0.754 329 E CB 2.413 32.250 29.700 0.229 0.000 1.201 329 E HN 0.684 nan 8.360 nan 0.000 0.425 330 T N -0.592 113.998 114.554 0.060 0.000 2.807 330 T HA 0.598 4.949 4.350 0.002 0.000 0.277 330 T C -0.769 173.933 174.700 0.003 0.000 1.006 330 T CA -0.723 61.396 62.100 0.032 0.000 1.006 330 T CB 1.991 70.869 68.868 0.016 0.000 1.274 330 T HN 0.604 nan 8.240 nan 0.000 0.569 331 D N -1.272 119.108 120.400 -0.033 0.000 2.663 331 D HA 0.187 4.828 4.640 0.002 0.000 0.233 331 D C 0.452 176.660 176.300 -0.152 0.000 1.240 331 D CA -0.583 53.358 54.000 -0.098 0.000 0.774 331 D CB 2.559 43.283 40.800 -0.127 0.000 1.443 331 D HN 0.665 nan 8.370 nan 0.000 0.441 332 K N 0.983 121.227 120.400 -0.259 0.000 2.032 332 K HA -0.169 4.153 4.320 0.002 0.000 0.209 332 K C 1.382 177.727 176.600 -0.426 0.000 1.048 332 K CA 1.426 57.487 56.287 -0.376 0.000 0.927 332 K CB 0.071 32.224 32.500 -0.579 0.000 0.712 332 K HN 0.430 nan 8.250 nan 0.000 0.441 333 H N -1.986 116.949 119.070 -0.225 0.000 2.316 333 H HA 0.064 4.621 4.556 0.002 0.000 0.314 333 H C 0.154 175.311 175.328 -0.286 0.000 1.057 333 H CA 1.090 56.876 56.048 -0.437 0.000 1.402 333 H CB 0.107 29.389 29.762 -0.800 0.000 1.443 333 H HN 0.223 nan 8.280 nan 0.000 0.559 334 Y N -1.688 118.532 120.300 -0.133 0.000 2.565 334 Y HA 0.521 5.072 4.550 0.002 0.000 0.330 334 Y C -1.446 174.422 175.900 -0.054 0.000 1.150 334 Y CA -1.375 56.660 58.100 -0.108 0.000 1.055 334 Y CB 0.814 39.157 38.460 -0.195 0.000 1.337 334 Y HN -0.229 nan 8.280 nan 0.000 0.457 335 V N 1.573 121.592 119.914 0.174 0.000 2.532 335 V HA 0.555 4.676 4.120 0.002 0.000 0.295 335 V C -0.389 175.852 176.094 0.244 0.000 1.041 335 V CA -0.755 61.637 62.300 0.153 0.000 0.926 335 V CB 1.644 33.549 31.823 0.137 0.000 0.992 335 V HN 0.896 nan 8.190 nan 0.000 0.457 336 E N 4.438 124.777 120.200 0.232 0.000 3.117 336 E HA 0.299 4.650 4.350 0.002 0.000 0.262 336 E C -2.732 174.012 176.600 0.242 0.000 1.202 336 E CA -1.538 55.023 56.400 0.269 0.000 0.853 336 E CB 1.709 31.532 29.700 0.205 0.000 1.426 336 E HN 0.598 nan 8.360 nan 0.000 0.387 337 P HA 0.031 nan 4.420 nan 0.000 0.267 337 P C 0.155 177.548 177.300 0.156 0.000 1.205 337 P CA 0.066 63.281 63.100 0.192 0.000 0.765 337 P CB 1.109 32.998 31.700 0.314 0.000 0.828 338 L N 2.101 123.311 121.223 -0.022 0.000 3.039 338 L HA 0.237 4.578 4.340 0.002 0.000 0.269 338 L C 0.202 176.735 176.870 -0.562 0.000 1.169 338 L CA -0.011 54.699 54.840 -0.217 0.000 0.986 338 L CB 0.019 41.913 42.059 -0.275 0.000 1.377 338 L HN 0.464 nan 8.230 nan 0.000 0.575 339 H N -0.835 118.243 119.070 0.014 0.000 2.895 339 H HA 0.418 4.975 4.556 0.002 0.000 0.373 339 H C -2.461 172.946 175.328 0.131 0.000 1.174 339 H CA -1.727 54.366 56.048 0.075 0.000 1.144 339 H CB 1.332 31.119 29.762 0.043 0.000 1.793 339 H HN -0.232 nan 8.280 nan 0.000 0.551 340 P HA 0.102 nan 4.420 nan 0.000 0.277 340 P C -0.493 177.009 177.300 0.336 0.000 1.276 340 P CA -0.453 62.835 63.100 0.314 0.000 0.788 340 P CB 1.297 33.178 31.700 0.302 0.000 1.114 341 L N -0.081 121.268 121.223 0.211 0.000 2.395 341 L HA 0.343 4.684 4.340 0.002 0.000 0.269 341 L C 0.582 177.531 176.870 0.133 0.000 1.133 341 L CA 0.079 54.943 54.840 0.040 0.000 0.812 341 L CB 0.430 42.043 42.059 -0.743 0.000 1.125 341 L HN 0.325 nan 8.230 nan 0.000 0.452 342 T N 2.383 117.076 114.554 0.232 0.000 2.934 342 T HA 0.427 4.779 4.350 0.002 0.000 0.328 342 T C -0.242 174.721 174.700 0.438 0.000 1.068 342 T CA -0.397 61.959 62.100 0.427 0.000 1.018 342 T CB 0.237 69.481 68.868 0.625 0.000 1.009 342 T HN 0.098 nan 8.240 nan 0.000 0.471 343 F N 2.123 122.329 119.950 0.426 0.000 2.496 343 F HA 0.289 4.817 4.527 0.002 0.000 0.344 343 F C 1.108 177.031 175.800 0.205 0.000 1.155 343 F CA -0.868 57.344 58.000 0.352 0.000 1.302 343 F CB 0.434 39.585 39.000 0.251 0.000 1.159 343 F HN 0.208 nan 8.300 nan 0.000 0.595 344 L N 4.187 125.539 121.223 0.214 0.000 2.439 344 L HA 0.192 4.533 4.340 0.002 0.000 0.269 344 L C -1.887 174.862 176.870 -0.201 0.000 1.179 344 L CA -1.812 52.858 54.840 -0.283 0.000 0.828 344 L CB 0.195 42.179 42.059 -0.125 0.000 1.106 344 L HN 0.321 nan 8.230 nan 0.000 0.467 345 P HA -0.054 nan 4.420 nan 0.000 0.264 345 P C 0.716 177.986 177.300 -0.050 0.000 1.183 345 P CA 0.607 63.621 63.100 -0.143 0.000 0.763 345 P CB 0.590 32.203 31.700 -0.145 0.000 0.807 346 G N 1.475 110.276 108.800 0.002 0.000 2.180 346 G HA2 -0.256 3.705 3.960 0.002 0.000 0.263 346 G HA3 -0.256 3.705 3.960 0.002 0.000 0.263 346 G C 0.263 175.181 174.900 0.031 0.000 0.989 346 G CA 0.548 45.657 45.100 0.015 0.000 0.692 346 G HN 0.864 nan 8.290 nan 0.000 0.526 347 S N -1.018 114.717 115.700 0.057 0.000 2.503 347 S HA 0.654 5.125 4.470 0.002 0.000 0.301 347 S C 0.421 175.097 174.600 0.127 0.000 1.087 347 S CA -0.056 58.204 58.200 0.101 0.000 1.042 347 S CB 1.576 64.854 63.200 0.131 0.000 1.043 347 S HN 0.341 nan 8.310 nan 0.000 0.489 348 N N 2.396 121.158 118.700 0.104 0.000 2.197 348 N HA 0.332 5.073 4.740 0.002 0.000 0.228 348 N C -0.000 175.629 175.510 0.198 0.000 1.212 348 N CA -0.072 52.989 53.050 0.017 0.000 0.883 348 N CB 0.292 38.767 38.487 -0.020 0.000 1.107 348 N HN 0.543 nan 8.380 nan 0.000 0.519 349 N N -0.716 118.164 118.700 0.300 0.000 2.168 349 N HA 0.140 4.881 4.740 0.002 0.000 0.216 349 N C -0.701 175.006 175.510 0.328 0.000 1.259 349 N CA 0.166 53.403 53.050 0.310 0.000 0.902 349 N CB 0.819 39.411 38.487 0.174 0.000 1.079 349 N HN 0.298 nan 8.380 nan 0.000 0.507 350 Q N 0.379 120.388 119.800 0.349 0.000 2.365 350 Q HA 0.567 4.908 4.340 0.002 0.000 0.269 350 Q C -1.300 174.822 176.000 0.205 0.000 1.061 350 Q CA -0.865 55.031 55.803 0.155 0.000 0.816 350 Q CB 2.494 31.279 28.738 0.078 0.000 1.325 350 Q HN 0.133 nan 8.270 nan 0.000 0.446 351 F N -0.855 119.072 119.950 -0.038 0.000 2.631 351 F HA 0.616 5.144 4.527 0.002 0.000 0.308 351 F C -1.461 174.357 175.800 0.030 0.000 1.097 351 F CA -1.426 56.456 58.000 -0.197 0.000 0.952 351 F CB 0.901 39.325 39.000 -0.960 0.000 1.307 351 F HN 0.257 nan 8.300 nan 0.000 0.450 352 I N 3.171 123.946 120.570 0.342 0.000 2.396 352 I HA 0.169 4.340 4.170 0.002 0.000 0.292 352 I C -0.810 175.551 176.117 0.406 0.000 0.999 352 I CA -0.437 60.993 61.300 0.217 0.000 1.310 352 I CB 1.268 39.237 38.000 -0.052 0.000 1.404 352 I HN 0.881 nan 8.210 nan 0.000 0.496 353 W N 7.408 128.820 121.300 0.186 0.000 2.781 353 W HA 0.376 5.037 4.660 0.002 0.000 0.333 353 W C -1.425 175.185 176.519 0.152 0.000 1.047 353 W CA -0.641 56.849 57.345 0.241 0.000 1.236 353 W CB 1.675 31.390 29.460 0.425 0.000 1.394 353 W HN 0.562 nan 8.180 nan 0.000 0.466 354 Q N 3.665 123.174 119.800 -0.486 0.000 2.261 354 Q HA 0.398 4.739 4.340 0.002 0.000 0.252 354 Q C -0.505 175.061 176.000 -0.722 0.000 0.915 354 Q CA 0.065 55.592 55.803 -0.461 0.000 0.915 354 Q CB 2.194 30.706 28.738 -0.377 0.000 1.204 354 Q HN 0.330 nan 8.270 nan 0.000 0.421 355 S N 1.048 116.574 115.700 -0.290 0.000 2.564 355 S HA 0.436 4.907 4.470 0.002 0.000 0.274 355 S C -0.685 173.891 174.600 -0.039 0.000 1.124 355 S CA -0.704 57.364 58.200 -0.219 0.000 0.869 355 S CB 1.468 64.487 63.200 -0.301 0.000 1.105 355 S HN 0.703 nan 8.310 nan 0.000 0.472 356 R N 1.493 121.974 120.500 -0.031 0.000 2.662 356 R HA 0.202 4.543 4.340 0.002 0.000 0.396 356 R C 1.774 178.067 176.300 -0.013 0.000 1.096 356 R CA -0.092 55.995 56.100 -0.022 0.000 1.081 356 R CB -0.019 30.250 30.300 -0.052 0.000 1.382 356 R HN 0.750 nan 8.270 nan 0.000 0.580 357 R N 0.021 120.528 120.500 0.012 0.000 2.105 357 R HA -0.126 4.215 4.340 0.002 0.000 0.239 357 R C 0.519 176.849 176.300 0.049 0.000 1.135 357 R CA 1.952 58.062 56.100 0.016 0.000 0.967 357 R CB -0.395 29.897 30.300 -0.014 0.000 0.861 357 R HN 0.110 nan 8.270 nan 0.000 0.442 358 D N -0.533 119.946 120.400 0.133 0.000 2.395 358 D HA 0.129 4.770 4.640 0.002 0.000 0.226 358 D C 0.923 177.312 176.300 0.148 0.000 1.146 358 D CA 0.283 54.379 54.000 0.161 0.000 0.830 358 D CB 0.474 41.413 40.800 0.232 0.000 0.958 358 D HN 0.496 nan 8.370 nan 0.000 0.501 359 G N -0.741 108.034 108.800 -0.042 0.000 2.176 359 G HA2 -0.229 3.732 3.960 0.002 0.000 0.253 359 G HA3 -0.229 3.732 3.960 0.002 0.000 0.253 359 G C -0.517 173.892 174.900 -0.818 0.000 0.979 359 G CA -0.018 44.853 45.100 -0.381 0.000 0.641 359 G HN 0.261 nan 8.290 nan 0.000 0.530 360 W N -0.270 120.974 121.300 -0.094 0.000 3.425 360 W HA 0.574 5.235 4.660 0.001 0.000 0.318 360 W C -0.333 175.949 176.519 -0.396 0.000 1.201 360 W CA -1.403 55.786 57.345 -0.260 0.000 1.212 360 W CB 0.757 30.007 29.460 -0.350 0.000 1.355 360 W HN 0.168 nan 8.180 nan 0.000 0.515 361 N N 2.853 121.426 118.700 -0.212 0.000 2.438 361 N HA 0.085 4.826 4.740 0.002 0.000 0.267 361 N C -0.455 174.767 175.510 -0.480 0.000 1.222 361 N CA 0.817 53.733 53.050 -0.222 0.000 0.930 361 N CB 0.216 38.637 38.487 -0.110 0.000 1.083 361 N HN 0.372 nan 8.380 nan 0.000 0.476 362 H N 2.247 121.294 119.070 -0.038 0.000 2.908 362 H HA 0.420 4.977 4.556 0.002 0.000 0.350 362 H C -0.504 174.748 175.328 -0.127 0.000 1.217 362 H CA -0.675 55.258 56.048 -0.191 0.000 1.168 362 H CB 1.025 30.607 29.762 -0.300 0.000 1.891 362 H HN 0.297 nan 8.280 nan 0.000 0.566 363 L N 2.122 123.241 121.223 -0.174 0.000 2.275 363 L HA 0.285 4.626 4.340 0.002 0.000 0.288 363 L C -0.884 175.866 176.870 -0.200 0.000 1.046 363 L CA -0.529 54.176 54.840 -0.226 0.000 0.805 363 L CB 0.248 42.029 42.059 -0.463 0.000 1.193 363 L HN 0.316 nan 8.230 nan 0.000 0.426 364 Y N 2.946 123.185 120.300 -0.102 0.000 2.409 364 Y HA 0.441 4.992 4.550 0.002 0.000 0.339 364 Y C -0.197 175.646 175.900 -0.095 0.000 1.033 364 Y CA -0.915 57.136 58.100 -0.081 0.000 1.094 364 Y CB 1.979 40.469 38.460 0.051 0.000 1.210 364 Y HN 0.332 nan 8.280 nan 0.000 0.456 365 L N 4.202 125.353 121.223 -0.120 0.000 2.264 365 L HA 0.465 4.806 4.340 0.002 0.000 0.287 365 L C -1.621 175.024 176.870 -0.374 0.000 1.039 365 L CA -0.564 54.170 54.840 -0.178 0.000 0.829 365 L CB -0.499 41.469 42.059 -0.151 0.000 1.211 365 L HN 0.533 nan 8.230 nan 0.000 0.427 366 Y N 2.263 122.243 120.300 -0.533 0.000 2.596 366 Y HA 0.537 5.088 4.550 0.002 0.000 0.326 366 Y C -0.040 175.443 175.900 -0.695 0.000 1.167 366 Y CA -0.372 57.304 58.100 -0.708 0.000 1.246 366 Y CB 1.443 39.279 38.460 -1.041 0.000 1.347 366 Y HN 0.561 nan 8.280 nan 0.000 0.515 367 D N -0.746 119.540 120.400 -0.190 0.000 2.505 367 D HA 0.117 4.758 4.640 0.002 0.000 0.249 367 D C 0.489 176.874 176.300 0.142 0.000 1.082 367 D CA -0.472 53.505 54.000 -0.038 0.000 0.839 367 D CB 1.663 42.464 40.800 0.002 0.000 1.317 367 D HN 0.657 nan 8.370 nan 0.000 0.497 368 T N 0.134 114.864 114.554 0.294 0.000 3.070 368 T HA -0.197 4.154 4.350 0.002 0.000 0.270 368 T C 1.488 176.359 174.700 0.285 0.000 1.175 368 T CA 1.772 64.127 62.100 0.424 0.000 1.073 368 T CB -0.766 68.385 68.868 0.472 0.000 0.840 368 T HN 0.504 nan 8.240 nan 0.000 0.576 369 T N -2.154 112.520 114.554 0.200 0.000 3.014 369 T HA 0.422 4.773 4.350 0.002 0.000 0.263 369 T C 2.008 176.802 174.700 0.157 0.000 1.078 369 T CA 0.677 62.862 62.100 0.142 0.000 1.135 369 T CB -0.341 68.587 68.868 0.100 0.000 0.895 369 T HN 0.848 nan 8.240 nan 0.000 0.480 370 G N 1.471 110.404 108.800 0.221 0.000 2.205 370 G HA2 -0.187 3.775 3.960 0.002 0.000 0.180 370 G HA3 -0.187 3.775 3.960 0.002 0.000 0.180 370 G C 0.137 175.226 174.900 0.315 0.000 1.004 370 G CA -0.153 45.115 45.100 0.279 0.000 0.670 370 G HN 0.816 nan 8.290 nan 0.000 0.496 371 R N 0.596 121.215 120.500 0.199 0.000 2.389 371 R HA 0.564 4.905 4.340 0.002 0.000 0.295 371 R C -0.067 176.204 176.300 -0.049 0.000 1.075 371 R CA -0.628 55.524 56.100 0.087 0.000 1.005 371 R CB 0.458 30.774 30.300 0.025 0.000 0.987 371 R HN 0.297 nan 8.270 nan 0.000 0.452 372 L N 6.458 127.527 121.223 -0.257 0.000 2.278 372 L HA 0.208 4.549 4.340 0.002 0.000 0.287 372 L C 0.588 177.213 176.870 -0.408 0.000 1.072 372 L CA 0.291 54.688 54.840 -0.739 0.000 0.819 372 L CB 0.858 42.494 42.059 -0.704 0.000 1.176 372 L HN 0.853 nan 8.230 nan 0.000 0.435 373 I N 4.364 124.694 120.570 -0.400 0.000 2.333 373 I HA 0.022 4.193 4.170 0.002 0.000 0.246 373 I C 0.945 176.927 176.117 -0.225 0.000 1.106 373 I CA 0.619 61.775 61.300 -0.239 0.000 1.411 373 I CB -0.171 37.715 38.000 -0.190 0.000 1.082 373 I HN 0.791 nan 8.210 nan 0.000 0.420 374 R N 0.247 120.580 120.500 -0.279 0.000 2.993 374 R HA 0.183 4.524 4.340 0.002 0.000 0.288 374 R C -1.427 174.679 176.300 -0.323 0.000 0.982 374 R CA -0.782 55.168 56.100 -0.250 0.000 0.832 374 R CB 0.705 30.888 30.300 -0.196 0.000 1.340 374 R HN -0.091 nan 8.270 nan 0.000 0.516 375 Q N 1.744 121.306 119.800 -0.396 0.000 2.431 375 Q HA 0.262 4.603 4.340 0.002 0.000 0.249 375 Q C 0.312 176.012 176.000 -0.500 0.000 1.025 375 Q CA -0.524 54.864 55.803 -0.692 0.000 0.835 375 Q CB 1.757 29.997 28.738 -0.829 0.000 1.207 375 Q HN 0.570 nan 8.270 nan 0.000 0.490 376 V N 2.281 121.946 119.914 -0.415 0.000 2.252 376 V HA -0.179 3.942 4.120 0.002 0.000 0.249 376 V C 1.230 177.145 176.094 -0.298 0.000 1.056 376 V CA 2.208 64.340 62.300 -0.281 0.000 1.022 376 V CB -0.703 30.995 31.823 -0.207 0.000 0.641 376 V HN 0.877 nan 8.190 nan 0.000 0.445 377 T N -0.010 114.291 114.554 -0.422 0.000 2.895 377 T HA 0.668 5.019 4.350 0.002 0.000 0.283 377 T C -0.758 173.372 174.700 -0.951 0.000 1.014 377 T CA -0.831 61.001 62.100 -0.446 0.000 1.037 377 T CB 2.010 70.662 68.868 -0.359 0.000 1.006 377 T HN 0.643 nan 8.240 nan 0.000 0.468 378 K N 0.479 120.286 120.400 -0.989 0.000 2.546 378 K HA 0.780 5.101 4.320 0.002 0.000 0.264 378 K C -0.576 175.484 176.600 -0.900 0.000 0.937 378 K CA -1.157 54.374 56.287 -1.259 0.000 0.833 378 K CB 1.736 33.856 32.500 -0.632 0.000 1.378 378 K HN 1.272 nan 8.250 nan 0.000 0.432 379 G N 1.064 109.333 108.800 -0.885 0.000 2.350 379 G HA2 0.049 4.010 3.960 0.002 0.000 0.304 379 G HA3 0.049 4.010 3.960 0.002 0.000 0.304 379 G C -1.372 172.884 174.900 -1.072 0.000 1.421 379 G CA -0.965 43.699 45.100 -0.727 0.000 0.934 379 G HN 0.546 nan 8.290 nan 0.000 0.632 380 E N 1.106 120.725 120.200 -0.968 0.000 2.452 380 E HA 0.168 4.519 4.350 0.002 0.000 0.293 380 E C -0.028 175.748 176.600 -1.374 0.000 1.535 380 E CA -0.146 55.136 56.400 -1.863 0.000 1.816 380 E CB 0.058 29.124 29.700 -1.057 0.000 1.494 380 E HN 0.448 nan 8.360 nan 0.000 0.464 381 W N -0.239 120.598 121.300 -0.772 0.000 3.038 381 W HA 0.588 5.249 4.660 0.002 0.000 0.347 381 W C -0.659 175.865 176.519 0.008 0.000 1.219 381 W CA -0.970 56.247 57.345 -0.213 0.000 1.142 381 W CB 0.585 29.945 29.460 -0.166 0.000 1.484 381 W HN -0.212 nan 8.180 nan 0.000 0.586 382 E N 0.724 121.140 120.200 0.360 0.000 2.293 382 E HA 0.393 4.744 4.350 0.002 0.000 0.270 382 E C -1.137 175.609 176.600 0.244 0.000 0.879 382 E CA -1.129 55.335 56.400 0.106 0.000 0.756 382 E CB 3.358 33.137 29.700 0.132 0.000 1.208 382 E HN 0.136 nan 8.360 nan 0.000 0.428 383 V N 2.407 122.352 119.914 0.053 0.000 2.470 383 V HA 0.011 4.132 4.120 0.002 0.000 0.276 383 V C 1.252 177.438 176.094 0.153 0.000 1.040 383 V CA 0.591 62.984 62.300 0.155 0.000 1.008 383 V CB 0.673 32.447 31.823 -0.081 0.000 0.990 383 V HN 0.924 nan 8.190 nan 0.000 0.477 384 T N 0.558 115.259 114.554 0.245 0.000 3.069 384 T HA 0.203 4.554 4.350 0.002 0.000 0.252 384 T C 0.470 175.309 174.700 0.232 0.000 1.053 384 T CA -0.175 62.057 62.100 0.220 0.000 0.964 384 T CB -0.173 68.834 68.868 0.230 0.000 1.005 384 T HN 0.620 nan 8.240 nan 0.000 0.532 385 N N -0.183 118.673 118.700 0.260 0.000 4.251 385 N HA 0.117 4.858 4.740 0.002 0.000 0.189 385 N C -2.289 173.439 175.510 0.363 0.000 1.037 385 N CA -0.407 52.806 53.050 0.272 0.000 1.139 385 N CB 1.325 39.984 38.487 0.286 0.000 1.614 385 N HN 0.131 nan 8.380 nan 0.000 0.802 386 F N 3.773 123.790 119.950 0.112 0.000 2.334 386 F HA 0.630 5.158 4.527 0.002 0.000 0.367 386 F C 0.796 176.698 175.800 0.170 0.000 1.115 386 F CA -0.448 57.621 58.000 0.116 0.000 1.116 386 F CB 0.857 39.841 39.000 -0.026 0.000 1.230 386 F HN 0.625 nan 8.300 nan 0.000 0.484 387 A N 3.985 126.756 122.820 -0.081 0.000 2.021 387 A HA 0.573 4.894 4.320 0.002 0.000 0.216 387 A C 1.274 178.630 177.584 -0.381 0.000 1.163 387 A CA 0.969 52.968 52.037 -0.063 0.000 0.676 387 A CB -0.854 18.363 19.000 0.361 0.000 0.818 387 A HN 1.424 nan 8.150 nan 0.000 0.453 388 G N -2.244 105.981 108.800 -0.958 0.000 2.250 388 G HA2 0.294 4.255 3.960 0.002 0.000 0.252 388 G HA3 0.294 4.255 3.960 0.002 0.000 0.252 388 G C -0.632 173.991 174.900 -0.462 0.000 1.325 388 G CA -0.406 44.188 45.100 -0.844 0.000 1.091 388 G HN 0.499 nan 8.290 nan 0.000 0.476 389 F N 0.772 120.832 119.950 0.183 0.000 2.782 389 F HA 0.697 5.225 4.527 0.002 0.000 0.366 389 F C 0.007 176.009 175.800 0.337 0.000 1.171 389 F CA -0.599 57.554 58.000 0.256 0.000 1.064 389 F CB 0.571 39.692 39.000 0.203 0.000 1.449 389 F HN 0.620 nan 8.300 nan 0.000 0.520 390 D N -0.443 120.256 120.400 0.498 0.000 2.294 390 D HA 0.337 4.978 4.640 0.002 0.000 0.250 390 D C -2.312 174.129 176.300 0.234 0.000 1.058 390 D CA -2.189 52.036 54.000 0.375 0.000 0.950 390 D CB 0.574 41.540 40.800 0.278 0.000 1.158 390 D HN 0.061 nan 8.370 nan 0.000 0.453 391 P HA -0.236 nan 4.420 nan 0.000 0.219 391 P C 0.978 178.316 177.300 0.064 0.000 1.158 391 P CA 2.053 65.206 63.100 0.088 0.000 0.895 391 P CB 0.152 31.887 31.700 0.060 0.000 0.792 392 K N -2.625 117.817 120.400 0.069 0.000 2.097 392 K HA 0.084 4.405 4.320 0.002 0.000 0.205 392 K C 1.284 177.905 176.600 0.035 0.000 1.050 392 K CA 1.108 57.423 56.287 0.046 0.000 0.938 392 K CB -0.516 32.013 32.500 0.049 0.000 0.718 392 K HN 0.237 nan 8.250 nan 0.000 0.442 393 G N 1.502 110.347 108.800 0.075 0.000 2.164 393 G HA2 -0.206 3.755 3.960 0.002 0.000 0.212 393 G HA3 -0.206 3.755 3.960 0.002 0.000 0.212 393 G C 0.545 175.520 174.900 0.125 0.000 1.031 393 G CA 0.483 45.624 45.100 0.069 0.000 0.730 393 G HN 0.386 nan 8.290 nan 0.000 0.501 394 T N -3.064 111.561 114.554 0.119 0.000 3.023 394 T HA 0.481 4.832 4.350 0.002 0.000 0.253 394 T C 0.845 175.587 174.700 0.071 0.000 1.038 394 T CA 0.285 62.435 62.100 0.084 0.000 0.962 394 T CB 0.522 69.421 68.868 0.051 0.000 1.018 394 T HN 0.543 nan 8.240 nan 0.000 0.521 395 R N 0.494 121.040 120.500 0.077 0.000 2.673 395 R HA 0.658 4.999 4.340 0.002 0.000 0.281 395 R C -1.405 174.858 176.300 -0.061 0.000 0.991 395 R CA -0.813 55.254 56.100 -0.054 0.000 0.896 395 R CB 2.196 32.369 30.300 -0.213 0.000 1.201 395 R HN 0.192 nan 8.270 nan 0.000 0.457 396 L N 2.748 123.922 121.223 -0.082 0.000 2.317 396 L HA 0.522 4.863 4.340 0.002 0.000 0.281 396 L C -0.927 175.876 176.870 -0.111 0.000 1.024 396 L CA -0.897 53.959 54.840 0.027 0.000 0.810 396 L CB 0.990 43.191 42.059 0.237 0.000 1.240 396 L HN 0.479 nan 8.230 nan 0.000 0.427 397 Y N 3.041 123.395 120.300 0.089 0.000 2.387 397 Y HA 0.658 5.209 4.550 0.002 0.000 0.336 397 Y C -0.091 175.776 175.900 -0.055 0.000 1.067 397 Y CA -0.560 57.425 58.100 -0.192 0.000 1.114 397 Y CB 1.706 40.087 38.460 -0.132 0.000 1.208 397 Y HN 0.451 nan 8.280 nan 0.000 0.458 398 F N -1.273 118.515 119.950 -0.269 0.000 2.807 398 F HA 0.518 5.046 4.527 0.002 0.000 0.316 398 F C -1.580 174.213 175.800 -0.012 0.000 1.162 398 F CA -1.412 56.578 58.000 -0.015 0.000 0.910 398 F CB 1.514 40.623 39.000 0.181 0.000 1.314 398 F HN 0.358 nan 8.300 nan 0.000 0.454 399 E N 1.250 121.728 120.200 0.463 0.000 2.183 399 E HA 0.700 5.051 4.350 0.002 0.000 0.271 399 E C -1.209 175.695 176.600 0.506 0.000 0.919 399 E CA -0.523 56.153 56.400 0.459 0.000 0.781 399 E CB 1.939 31.902 29.700 0.439 0.000 1.140 399 E HN 0.951 nan 8.360 nan 0.000 0.402 400 S N 1.202 117.170 115.700 0.447 0.000 2.688 400 S HA 0.282 4.753 4.470 0.002 0.000 0.275 400 S C 0.049 174.801 174.600 0.253 0.000 1.175 400 S CA -0.225 58.185 58.200 0.350 0.000 0.818 400 S CB 1.189 64.583 63.200 0.325 0.000 1.157 400 S HN 0.494 nan 8.310 nan 0.000 0.482 401 T N -2.431 112.258 114.554 0.226 0.000 3.214 401 T HA 0.331 4.682 4.350 0.002 0.000 0.264 401 T C 0.954 175.653 174.700 -0.002 0.000 1.012 401 T CA 0.294 62.481 62.100 0.144 0.000 0.901 401 T CB -0.146 68.831 68.868 0.182 0.000 1.070 401 T HN 0.717 nan 8.240 nan 0.000 0.561 402 E N 1.361 121.350 120.200 -0.352 0.000 2.118 402 E HA -0.144 4.207 4.350 0.002 0.000 0.195 402 E C 2.237 178.586 176.600 -0.418 0.000 0.992 402 E CA 1.246 57.134 56.400 -0.853 0.000 0.804 402 E CB -0.361 28.188 29.700 -1.919 0.000 0.741 402 E HN 0.681 nan 8.360 nan 0.000 0.458 403 A N 0.190 122.833 122.820 -0.295 0.000 1.873 403 A HA -0.022 4.299 4.320 0.002 0.000 0.215 403 A C 1.252 178.725 177.584 -0.185 0.000 1.186 403 A CA 1.251 53.090 52.037 -0.331 0.000 0.616 403 A CB -0.006 18.478 19.000 -0.860 0.000 0.823 403 A HN 0.234 nan 8.150 nan 0.000 0.442 404 S N -3.332 112.298 115.700 -0.116 0.000 2.606 404 S HA 0.408 4.879 4.470 0.002 0.000 0.290 404 S C -2.865 171.702 174.600 -0.055 0.000 1.103 404 S CA -0.497 57.658 58.200 -0.075 0.000 0.870 404 S CB 1.111 64.271 63.200 -0.067 0.000 1.077 404 S HN -0.094 nan 8.310 nan 0.000 0.448 405 P HA 0.060 nan 4.420 nan 0.000 0.221 405 P C 0.945 178.161 177.300 -0.140 0.000 1.145 405 P CA 0.878 63.912 63.100 -0.110 0.000 0.795 405 P CB 0.045 31.623 31.700 -0.203 0.000 0.775 406 L N -1.783 119.321 121.223 -0.199 0.000 2.591 406 L HA 0.127 4.468 4.340 0.002 0.000 0.228 406 L C 0.881 177.742 176.870 -0.014 0.000 1.133 406 L CA 0.490 55.241 54.840 -0.150 0.000 0.880 406 L CB -0.352 41.572 42.059 -0.225 0.000 1.033 406 L HN 0.044 nan 8.230 nan 0.000 0.450 407 E N -0.237 119.997 120.200 0.057 0.000 2.393 407 E HA 0.571 4.922 4.350 0.002 0.000 0.265 407 E C -0.702 176.059 176.600 0.268 0.000 0.941 407 E CA -1.016 55.497 56.400 0.187 0.000 0.801 407 E CB 1.821 31.713 29.700 0.320 0.000 1.313 407 E HN -0.100 nan 8.360 nan 0.000 0.435 408 R N 1.291 122.020 120.500 0.381 0.000 2.502 408 R HA 0.419 4.760 4.340 0.002 0.000 0.298 408 R C -1.178 175.433 176.300 0.518 0.000 1.018 408 R CA -0.450 55.889 56.100 0.400 0.000 0.899 408 R CB 0.995 31.462 30.300 0.277 0.000 1.181 408 R HN 0.618 nan 8.270 nan 0.000 0.444 409 H N 1.694 120.935 119.070 0.285 0.000 2.572 409 H HA 0.328 4.885 4.556 0.002 0.000 0.359 409 H C -0.780 174.619 175.328 0.118 0.000 1.134 409 H CA -0.796 55.307 56.048 0.093 0.000 1.187 409 H CB 2.716 32.356 29.762 -0.204 0.000 1.597 409 H HN 0.305 nan 8.280 nan 0.000 0.524 410 F N 3.111 122.999 119.950 -0.105 0.000 2.420 410 F HA 0.187 4.715 4.527 0.002 0.000 0.352 410 F C -1.034 174.605 175.800 -0.268 0.000 1.108 410 F CA -0.183 57.779 58.000 -0.063 0.000 1.162 410 F CB 0.032 38.981 39.000 -0.085 0.000 1.118 410 F HN 0.395 nan 8.300 nan 0.000 0.510 411 Y N 3.403 123.209 120.300 -0.824 0.000 2.833 411 Y HA 0.639 5.190 4.550 0.002 0.000 0.323 411 Y C -0.254 175.098 175.900 -0.913 0.000 1.220 411 Y CA -1.301 56.305 58.100 -0.824 0.000 1.174 411 Y CB 1.169 39.041 38.460 -0.980 0.000 1.404 411 Y HN 0.663 nan 8.280 nan 0.000 0.607 412 C N 1.722 120.729 119.300 -0.488 0.000 3.135 412 C HA 0.676 5.137 4.460 0.002 0.000 0.428 412 C C -1.445 173.418 174.990 -0.211 0.000 0.972 412 C CA -0.735 58.044 59.018 -0.398 0.000 1.218 412 C CB -0.612 27.020 27.740 -0.180 0.000 1.595 412 C HN 0.775 nan 8.230 nan 0.000 0.576 413 I N 3.913 124.426 120.570 -0.095 0.000 3.002 413 I HA 0.529 4.700 4.170 0.002 0.000 0.310 413 I C -0.703 175.410 176.117 -0.007 0.000 1.087 413 I CA -0.239 61.084 61.300 0.039 0.000 1.017 413 I CB 1.755 39.898 38.000 0.238 0.000 1.226 413 I HN 0.789 nan 8.210 nan 0.000 0.443 414 D N 3.659 124.060 120.400 0.002 0.000 2.350 414 D HA 0.049 4.690 4.640 0.002 0.000 0.249 414 D C 0.903 177.210 176.300 0.011 0.000 1.119 414 D CA 0.007 54.005 54.000 -0.004 0.000 0.886 414 D CB 1.497 42.293 40.800 -0.007 0.000 1.195 414 D HN 0.535 nan 8.370 nan 0.000 0.437 415 I N 3.792 124.379 120.570 0.028 0.000 2.530 415 I HA -0.223 3.948 4.170 0.002 0.000 0.257 415 I C 1.772 177.887 176.117 -0.003 0.000 1.179 415 I CA 1.531 62.857 61.300 0.043 0.000 1.440 415 I CB 0.036 38.086 38.000 0.083 0.000 1.087 415 I HN 0.362 nan 8.210 nan 0.000 0.440 416 K N 0.556 120.948 120.400 -0.013 0.000 2.459 416 K HA 0.327 4.648 4.320 0.002 0.000 0.193 416 K C 0.983 177.550 176.600 -0.055 0.000 1.030 416 K CA 0.498 56.764 56.287 -0.035 0.000 1.026 416 K CB -0.132 32.352 32.500 -0.026 0.000 0.809 416 K HN 0.525 nan 8.250 nan 0.000 0.504 417 G N -0.013 108.758 108.800 -0.048 0.000 2.548 417 G HA2 0.145 4.106 3.960 0.002 0.000 0.208 417 G HA3 0.145 4.106 3.960 0.002 0.000 0.208 417 G C 0.157 175.035 174.900 -0.037 0.000 1.308 417 G CA -0.580 44.482 45.100 -0.064 0.000 0.924 417 G HN 0.599 nan 8.290 nan 0.000 0.540 418 G N -1.142 107.632 108.800 -0.043 0.000 2.451 418 G HA2 0.249 4.210 3.960 0.002 0.000 0.208 418 G HA3 0.249 4.210 3.960 0.002 0.000 0.208 418 G C -0.007 174.894 174.900 0.002 0.000 1.248 418 G CA 0.491 45.577 45.100 -0.024 0.000 0.989 418 G HN 1.398 nan 8.290 nan 0.000 0.559 419 K N 0.970 121.372 120.400 0.004 0.000 2.295 419 K HA 0.500 4.821 4.320 0.002 0.000 0.270 419 K C 0.645 177.263 176.600 0.031 0.000 1.011 419 K CA 0.602 56.897 56.287 0.014 0.000 0.953 419 K CB 0.652 33.153 32.500 0.001 0.000 0.956 419 K HN 0.831 nan 8.250 nan 0.000 0.477 420 T N -0.816 113.763 114.554 0.040 0.000 2.902 420 T HA 0.307 4.658 4.350 0.002 0.000 0.283 420 T C -0.463 174.272 174.700 0.058 0.000 1.009 420 T CA -1.044 61.092 62.100 0.060 0.000 1.051 420 T CB 1.351 70.243 68.868 0.040 0.000 0.999 420 T HN 0.482 nan 8.240 nan 0.000 0.474 421 K N 2.113 122.529 120.400 0.027 0.000 2.367 421 K HA 0.231 4.552 4.320 0.002 0.000 0.263 421 K C -0.722 175.810 176.600 -0.113 0.000 1.000 421 K CA -0.650 55.623 56.287 -0.022 0.000 0.891 421 K CB 0.774 33.252 32.500 -0.038 0.000 1.117 421 K HN 0.689 nan 8.250 nan 0.000 0.443 422 D N 4.929 125.195 120.400 -0.224 0.000 2.401 422 D HA -0.012 4.629 4.640 0.002 0.000 0.254 422 D C 0.581 176.660 176.300 -0.368 0.000 1.192 422 D CA 0.126 53.746 54.000 -0.634 0.000 0.885 422 D CB 0.802 41.264 40.800 -0.564 0.000 1.147 422 D HN 0.614 nan 8.370 nan 0.000 0.478 423 L N 2.705 123.719 121.223 -0.348 0.000 2.585 423 L HA 0.086 4.427 4.340 0.002 0.000 0.226 423 L C 0.969 177.695 176.870 -0.241 0.000 1.113 423 L CA 0.336 55.074 54.840 -0.171 0.000 0.876 423 L CB -0.006 42.064 42.059 0.019 0.000 1.072 423 L HN 0.479 nan 8.230 nan 0.000 0.468 424 T N -3.899 110.414 114.554 -0.402 0.000 3.542 424 T HA 0.243 4.594 4.350 0.002 0.000 0.276 424 T C -1.910 172.362 174.700 -0.714 0.000 1.412 424 T CA -1.215 60.460 62.100 -0.708 0.000 1.664 424 T CB 0.856 69.082 68.868 -1.071 0.000 0.863 424 T HN -0.134 nan 8.240 nan 0.000 0.661 425 P HA -0.039 nan 4.420 nan 0.000 0.226 425 P C 0.448 177.717 177.300 -0.051 0.000 1.153 425 P CA 0.474 63.518 63.100 -0.094 0.000 0.777 425 P CB 0.311 31.948 31.700 -0.105 0.000 0.794 426 E N 1.131 121.210 120.200 -0.201 0.000 2.417 426 E HA 0.082 4.433 4.350 0.002 0.000 0.261 426 E C -0.101 176.478 176.600 -0.035 0.000 1.000 426 E CA -0.251 56.032 56.400 -0.195 0.000 0.919 426 E CB 0.228 29.595 29.700 -0.555 0.000 0.955 426 E HN -0.065 nan 8.360 nan 0.000 0.455 427 S N 2.838 118.607 115.700 0.115 0.000 2.563 427 S HA 0.367 4.838 4.470 0.002 0.000 0.294 427 S C 0.192 175.021 174.600 0.381 0.000 1.279 427 S CA 0.773 59.125 58.200 0.254 0.000 1.069 427 S CB -0.012 63.298 63.200 0.182 0.000 0.828 427 S HN 0.790 nan 8.310 nan 0.000 0.497 428 G N 4.195 113.207 108.800 0.354 0.000 2.302 428 G HA2 0.118 4.079 3.960 0.002 0.000 0.264 428 G HA3 0.118 4.079 3.960 0.002 0.000 0.264 428 G C -1.486 173.474 174.900 0.101 0.000 1.335 428 G CA -0.809 44.431 45.100 0.234 0.000 0.982 428 G HN 0.615 nan 8.290 nan 0.000 0.473 429 M N 2.039 121.552 119.600 -0.144 0.000 2.088 429 M HA 0.428 4.909 4.480 0.002 0.000 0.346 429 M C -0.749 175.471 176.300 -0.134 0.000 1.111 429 M CA -0.399 54.851 55.300 -0.083 0.000 1.017 429 M CB 0.564 33.101 32.600 -0.105 0.000 1.568 429 M HN 0.518 nan 8.290 nan 0.000 0.445 430 H N 2.901 122.039 119.070 0.113 0.000 2.551 430 H HA 0.379 4.936 4.556 0.002 0.000 0.321 430 H C -0.468 174.913 175.328 0.088 0.000 1.028 430 H CA -0.309 55.803 56.048 0.106 0.000 1.215 430 H CB 1.866 31.643 29.762 0.024 0.000 1.414 430 H HN 0.535 nan 8.280 nan 0.000 0.480 431 R N 3.187 123.778 120.500 0.152 0.000 2.272 431 R HA 0.275 4.616 4.340 0.002 0.000 0.323 431 R C -0.902 175.423 176.300 0.041 0.000 1.002 431 R CA -0.394 55.767 56.100 0.101 0.000 0.900 431 R CB 0.431 30.762 30.300 0.053 0.000 1.151 431 R HN 0.505 nan 8.270 nan 0.000 0.507 432 T N 3.057 117.610 114.554 -0.000 0.000 2.925 432 T HA 0.330 4.681 4.350 0.002 0.000 0.285 432 T C -0.513 174.042 174.700 -0.243 0.000 1.021 432 T CA -0.746 61.221 62.100 -0.222 0.000 1.042 432 T CB 1.931 70.444 68.868 -0.591 0.000 1.037 432 T HN 0.489 nan 8.240 nan 0.000 0.481 433 Q N 1.594 121.257 119.800 -0.228 0.000 2.347 433 Q HA 0.434 4.775 4.340 0.002 0.000 0.265 433 Q C -1.141 174.856 176.000 -0.004 0.000 1.024 433 Q CA -0.838 54.938 55.803 -0.045 0.000 0.731 433 Q CB 1.764 30.560 28.738 0.096 0.000 1.245 433 Q HN 0.468 nan 8.270 nan 0.000 0.472 434 L N 2.669 123.799 121.223 -0.155 0.000 2.462 434 L HA 0.152 4.493 4.340 0.002 0.000 0.272 434 L C 0.149 176.845 176.870 -0.290 0.000 1.166 434 L CA 0.495 55.203 54.840 -0.220 0.000 0.880 434 L CB 0.769 42.747 42.059 -0.134 0.000 1.142 434 L HN 0.683 nan 8.230 nan 0.000 0.473 435 S N 4.651 119.938 115.700 -0.688 0.000 2.580 435 S HA 0.284 4.755 4.470 0.002 0.000 0.266 435 S C -1.791 172.409 174.600 -0.666 0.000 1.354 435 S CA -0.620 56.705 58.200 -1.457 0.000 1.008 435 S CB 0.208 62.202 63.200 -2.011 0.000 0.898 435 S HN 0.657 nan 8.310 nan 0.000 0.555 436 P HA -0.121 nan 4.420 nan 0.000 0.214 436 P C 0.921 178.115 177.300 -0.176 0.000 1.163 436 P CA 1.464 64.435 63.100 -0.214 0.000 0.883 436 P CB -0.208 31.419 31.700 -0.121 0.000 0.788 437 D N -0.966 119.303 120.400 -0.220 0.000 2.390 437 D HA -0.005 4.636 4.640 0.002 0.000 0.235 437 D C 1.234 177.458 176.300 -0.127 0.000 1.040 437 D CA 0.813 54.730 54.000 -0.137 0.000 0.923 437 D CB -1.476 39.247 40.800 -0.128 0.000 0.886 437 D HN 0.240 nan 8.370 nan 0.000 0.532 438 G N 0.198 108.888 108.800 -0.184 0.000 2.258 438 G HA2 -0.376 3.585 3.960 0.002 0.000 0.274 438 G HA3 -0.376 3.585 3.960 0.002 0.000 0.274 438 G C 0.948 175.759 174.900 -0.149 0.000 1.021 438 G CA 1.243 46.255 45.100 -0.147 0.000 0.798 438 G HN 0.675 nan 8.290 nan 0.000 0.507 439 S N -1.197 114.381 115.700 -0.203 0.000 2.694 439 S HA 0.712 5.183 4.470 0.002 0.000 0.225 439 S C 1.762 176.269 174.600 -0.155 0.000 1.012 439 S CA 1.334 59.455 58.200 -0.131 0.000 0.896 439 S CB -0.064 63.080 63.200 -0.093 0.000 0.838 439 S HN 1.737 nan 8.310 nan 0.000 0.604 440 A N 1.584 124.271 122.820 -0.223 0.000 2.260 440 A HA 0.773 5.094 4.320 0.002 0.000 0.278 440 A C -0.110 177.424 177.584 -0.082 0.000 1.269 440 A CA -0.488 51.491 52.037 -0.096 0.000 0.824 440 A CB -0.158 18.879 19.000 0.061 0.000 1.238 440 A HN 0.900 nan 8.150 nan 0.000 0.507 441 I N -0.878 119.802 120.570 0.184 0.000 2.731 441 I HA 0.295 4.466 4.170 0.002 0.000 0.286 441 I C -1.716 174.475 176.117 0.124 0.000 1.421 441 I CA -0.446 60.925 61.300 0.120 0.000 1.071 441 I CB 1.053 38.977 38.000 -0.126 0.000 1.375 441 I HN 0.553 nan 8.210 nan 0.000 0.425 442 I N 6.066 126.709 120.570 0.122 0.000 2.342 442 I HA 0.319 4.490 4.170 0.002 0.000 0.291 442 I C -0.720 175.307 176.117 -0.151 0.000 1.010 442 I CA -0.026 61.180 61.300 -0.157 0.000 1.308 442 I CB 1.325 39.116 38.000 -0.349 0.000 1.400 442 I HN 0.487 nan 8.210 nan 0.000 0.488 443 D N 7.221 127.538 120.400 -0.138 0.000 2.620 443 D HA 0.441 5.082 4.640 0.002 0.000 0.252 443 D C -0.869 175.423 176.300 -0.014 0.000 1.207 443 D CA -0.349 53.609 54.000 -0.070 0.000 0.884 443 D CB 1.233 42.006 40.800 -0.044 0.000 1.262 443 D HN 0.290 nan 8.370 nan 0.000 0.552 444 I N 4.623 125.195 120.570 0.003 0.000 2.306 444 I HA 0.311 4.482 4.170 0.002 0.000 0.288 444 I C -0.629 175.512 176.117 0.040 0.000 1.036 444 I CA -0.889 60.406 61.300 -0.008 0.000 1.221 444 I CB 0.522 38.489 38.000 -0.055 0.000 1.385 444 I HN 0.318 nan 8.210 nan 0.000 0.472 445 F N 6.879 126.737 119.950 -0.152 0.000 2.523 445 F HA 0.654 5.182 4.527 0.002 0.000 0.329 445 F C -0.663 174.983 175.800 -0.257 0.000 1.061 445 F CA -0.372 57.445 58.000 -0.304 0.000 0.967 445 F CB 1.618 40.394 39.000 -0.374 0.000 1.218 445 F HN 0.535 nan 8.300 nan 0.000 0.480 446 Q N 2.593 121.459 119.800 -1.555 0.000 2.468 446 Q HA 0.568 4.909 4.340 0.002 0.000 0.263 446 Q C -1.880 173.426 176.000 -1.157 0.000 0.979 446 Q CA -0.862 54.241 55.803 -1.166 0.000 0.932 446 Q CB 1.560 29.987 28.738 -0.519 0.000 1.462 446 Q HN 0.765 nan 8.270 nan 0.000 0.403 447 S N 0.238 115.501 115.700 -0.729 0.000 2.811 447 S HA 0.709 5.180 4.470 0.002 0.000 0.311 447 S C -2.239 172.385 174.600 0.040 0.000 1.152 447 S CA -1.492 56.538 58.200 -0.284 0.000 0.864 447 S CB 1.509 64.659 63.200 -0.083 0.000 1.226 447 S HN 0.434 nan 8.310 nan 0.000 0.541 448 P HA -0.051 nan 4.420 nan 0.000 0.218 448 P C 1.613 179.047 177.300 0.223 0.000 1.148 448 P CA 2.117 65.268 63.100 0.085 0.000 0.822 448 P CB -0.192 31.512 31.700 0.006 0.000 0.784 449 T N -4.247 110.426 114.554 0.198 0.000 3.035 449 T HA 0.066 4.417 4.350 0.002 0.000 0.259 449 T C 0.635 175.468 174.700 0.221 0.000 1.078 449 T CA 0.307 62.542 62.100 0.226 0.000 1.132 449 T CB -0.700 68.245 68.868 0.128 0.000 0.900 449 T HN -0.214 nan 8.240 nan 0.000 0.480 450 V N 3.463 123.431 119.914 0.089 0.000 2.347 450 V HA 0.346 4.468 4.120 0.002 0.000 0.280 450 V C -1.692 174.142 176.094 -0.433 0.000 1.021 450 V CA -1.818 60.404 62.300 -0.130 0.000 0.847 450 V CB 1.511 33.308 31.823 -0.043 0.000 0.990 450 V HN 0.103 nan 8.190 nan 0.000 0.444 451 P HA -0.025 nan 4.420 nan 0.000 0.216 451 P C 0.427 177.289 177.300 -0.730 0.000 1.153 451 P CA 0.956 63.233 63.100 -1.372 0.000 0.848 451 P CB 0.317 31.193 31.700 -1.373 0.000 0.787 452 R N -2.514 117.697 120.500 -0.481 0.000 2.741 452 R HA 0.526 4.867 4.340 0.002 0.000 0.276 452 R C -1.636 174.556 176.300 -0.181 0.000 1.028 452 R CA -0.740 55.168 56.100 -0.319 0.000 0.865 452 R CB 1.122 31.252 30.300 -0.283 0.000 1.268 452 R HN -0.334 nan 8.270 nan 0.000 0.475 453 K N 2.253 122.596 120.400 -0.095 0.000 2.659 453 K HA 0.186 4.507 4.320 0.002 0.000 0.308 453 K C -1.571 175.017 176.600 -0.019 0.000 1.342 453 K CA -0.396 55.879 56.287 -0.021 0.000 1.052 453 K CB 1.118 33.689 32.500 0.117 0.000 1.416 453 K HN 0.332 nan 8.250 nan 0.000 0.524 454 V N 2.314 122.179 119.914 -0.082 0.000 2.740 454 V HA 0.231 4.352 4.120 0.002 0.000 0.303 454 V C 0.197 176.234 176.094 -0.095 0.000 1.054 454 V CA 0.326 62.565 62.300 -0.102 0.000 1.106 454 V CB 1.356 33.087 31.823 -0.152 0.000 0.957 454 V HN 0.708 nan 8.190 nan 0.000 0.486 455 T N 3.445 117.935 114.554 -0.107 0.000 3.160 455 T HA 0.292 4.643 4.350 0.002 0.000 0.344 455 T C -0.468 174.143 174.700 -0.148 0.000 0.981 455 T CA -0.462 61.577 62.100 -0.101 0.000 1.170 455 T CB 0.874 69.700 68.868 -0.071 0.000 1.016 455 T HN 0.347 nan 8.240 nan 0.000 0.492 456 V N 2.943 122.721 119.914 -0.228 0.000 2.740 456 V HA 0.478 4.599 4.120 0.002 0.000 0.303 456 V C 0.575 176.601 176.094 -0.114 0.000 1.054 456 V CA 0.027 62.138 62.300 -0.314 0.000 1.106 456 V CB 0.822 32.222 31.823 -0.706 0.000 0.957 456 V HN 0.900 nan 8.190 nan 0.000 0.486 457 T N 3.881 118.414 114.554 -0.035 0.000 3.071 457 T HA 0.276 4.627 4.350 0.002 0.000 0.311 457 T C -0.500 174.217 174.700 0.029 0.000 1.042 457 T CA -0.685 61.413 62.100 -0.003 0.000 1.028 457 T CB 0.968 69.817 68.868 -0.032 0.000 1.068 457 T HN 0.620 nan 8.240 nan 0.000 0.451 458 N N 3.070 121.789 118.700 0.032 0.000 2.402 458 N HA 0.225 4.966 4.740 0.002 0.000 0.252 458 N C 0.251 175.769 175.510 0.013 0.000 1.118 458 N CA -0.223 52.843 53.050 0.028 0.000 0.945 458 N CB 0.648 39.156 38.487 0.035 0.000 1.147 458 N HN 0.631 nan 8.380 nan 0.000 0.495 459 I N 2.218 122.791 120.570 0.004 0.000 3.138 459 I HA -0.213 3.958 4.170 0.002 0.000 0.286 459 I C 1.545 177.678 176.117 0.028 0.000 1.194 459 I CA 0.758 62.071 61.300 0.021 0.000 1.392 459 I CB -0.612 37.411 38.000 0.038 0.000 1.476 459 I HN 0.798 nan 8.210 nan 0.000 0.579 460 G N 4.960 113.771 108.800 0.019 0.000 3.330 460 G HA2 -0.174 3.787 3.960 0.002 0.000 0.197 460 G HA3 -0.174 3.787 3.960 0.002 0.000 0.197 460 G C 0.554 175.460 174.900 0.010 0.000 1.284 460 G CA -0.560 44.550 45.100 0.016 0.000 0.921 460 G HN 0.428 nan 8.290 nan 0.000 0.466 461 K N 0.771 121.179 120.400 0.014 0.000 2.614 461 K HA 0.478 4.799 4.320 0.002 0.000 0.275 461 K C 1.280 177.886 176.600 0.011 0.000 1.055 461 K CA 0.017 56.313 56.287 0.016 0.000 0.961 461 K CB -0.238 32.277 32.500 0.025 0.000 1.220 461 K HN 0.376 nan 8.250 nan 0.000 0.491 462 G N -0.281 108.530 108.800 0.018 0.000 2.599 462 G HA2 0.140 4.101 3.960 0.002 0.000 0.264 462 G HA3 0.140 4.101 3.960 0.002 0.000 0.264 462 G C -0.780 174.131 174.900 0.019 0.000 1.200 462 G CA -0.478 44.630 45.100 0.015 0.000 0.896 462 G HN 0.338 nan 8.290 nan 0.000 0.536 463 S N 0.248 115.951 115.700 0.006 0.000 2.252 463 S HA 0.133 4.604 4.470 0.002 0.000 0.180 463 S C -0.035 174.577 174.600 0.021 0.000 1.534 463 S CA -0.498 57.702 58.200 0.001 0.000 1.141 463 S CB -0.046 63.130 63.200 -0.041 0.000 1.122 463 S HN 0.655 nan 8.310 nan 0.000 0.475 464 H N 2.924 121.965 119.070 -0.049 0.000 3.184 464 H HA 0.028 4.585 4.556 0.002 0.000 0.274 464 H C -0.190 175.091 175.328 -0.077 0.000 0.962 464 H CA 0.722 56.743 56.048 -0.045 0.000 1.441 464 H CB 0.105 29.857 29.762 -0.017 0.000 1.518 464 H HN 0.258 nan 8.280 nan 0.000 0.539 465 T N 6.901 121.331 114.554 -0.207 0.000 2.901 465 T HA 0.030 4.381 4.350 0.002 0.000 0.301 465 T C 1.514 176.149 174.700 -0.110 0.000 1.012 465 T CA -0.465 61.551 62.100 -0.139 0.000 1.135 465 T CB 0.887 69.662 68.868 -0.156 0.000 0.936 465 T HN 0.538 nan 8.240 nan 0.000 0.539 466 L N 3.507 124.709 121.223 -0.036 0.000 2.515 466 L HA 0.519 4.860 4.340 0.002 0.000 0.223 466 L C -0.224 176.584 176.870 -0.103 0.000 1.079 466 L CA 0.639 55.471 54.840 -0.014 0.000 0.857 466 L CB 0.242 42.258 42.059 -0.071 0.000 1.050 466 L HN 0.453 nan 8.230 nan 0.000 0.476 467 L N 0.118 121.269 121.223 -0.121 0.000 2.666 467 L HA 0.393 4.734 4.340 0.002 0.000 0.259 467 L C -2.010 174.788 176.870 -0.121 0.000 0.919 467 L CA -0.260 54.500 54.840 -0.135 0.000 0.927 467 L CB 1.853 43.809 42.059 -0.172 0.000 1.423 467 L HN 0.100 nan 8.230 nan 0.000 0.426 468 E N 3.790 123.920 120.200 -0.116 0.000 2.292 468 E HA 0.891 5.242 4.350 0.002 0.000 0.272 468 E C -1.805 174.720 176.600 -0.124 0.000 0.881 468 E CA -0.148 56.186 56.400 -0.109 0.000 0.754 468 E CB 2.314 31.961 29.700 -0.088 0.000 1.201 468 E HN 0.948 nan 8.360 nan 0.000 0.425 469 A N 1.951 124.678 122.820 -0.154 0.000 2.593 469 A HA 1.036 5.357 4.320 0.002 0.000 0.290 469 A C -1.204 176.259 177.584 -0.203 0.000 1.126 469 A CA -0.144 51.788 52.037 -0.174 0.000 0.695 469 A CB 1.530 20.402 19.000 -0.213 0.000 1.290 469 A HN 0.961 nan 8.150 nan 0.000 0.414 470 K N -1.073 119.220 120.400 -0.179 0.000 2.600 470 K HA 0.745 5.066 4.320 0.002 0.000 0.262 470 K C -0.916 175.646 176.600 -0.063 0.000 0.935 470 K CA 0.310 56.507 56.287 -0.151 0.000 0.866 470 K CB 0.183 32.641 32.500 -0.072 0.000 1.354 470 K HN 2.473 nan 8.250 nan 0.000 0.419 478 M N 1.015 120.543 119.600 -0.119 0.000 2.578 478 M HA 0.440 4.921 4.480 0.002 0.000 0.276 478 M C -2.877 173.322 176.300 -0.168 0.000 1.245 478 M CA -1.698 53.518 55.300 -0.139 0.000 0.871 478 M CB 1.307 33.837 32.600 -0.117 0.000 1.722 478 M HN 0.468 nan 8.290 nan 0.000 0.473 479 P HA 0.111 nan 4.420 nan 0.000 0.267 479 P C -0.514 176.672 177.300 -0.190 0.000 1.209 479 P CA 0.043 63.029 63.100 -0.189 0.000 0.763 479 P CB 0.417 32.010 31.700 -0.178 0.000 0.816 480 E N 3.565 123.646 120.200 -0.198 0.000 2.324 480 E HA 0.118 4.469 4.350 0.002 0.000 0.271 480 E C -0.607 175.879 176.600 -0.189 0.000 1.028 480 E CA -0.202 56.086 56.400 -0.186 0.000 0.890 480 E CB 0.325 29.909 29.700 -0.193 0.000 1.004 480 E HN 0.378 nan 8.360 nan 0.000 0.431 481 I N 5.675 126.151 120.570 -0.158 0.000 2.321 481 I HA 0.305 4.476 4.170 0.002 0.000 0.291 481 I C 0.366 176.441 176.117 -0.070 0.000 0.998 481 I CA -0.517 60.712 61.300 -0.119 0.000 1.227 481 I CB 1.171 39.087 38.000 -0.141 0.000 1.368 481 I HN 0.329 nan 8.210 nan 0.000 0.466 482 R N 3.807 124.304 120.500 -0.005 0.000 2.668 482 R HA 0.710 5.051 4.340 0.002 0.000 0.279 482 R C -0.587 175.769 176.300 0.093 0.000 0.976 482 R CA -0.732 55.403 56.100 0.058 0.000 0.978 482 R CB 2.139 32.515 30.300 0.127 0.000 1.133 482 R HN 0.648 nan 8.270 nan 0.000 0.484 483 T N -1.466 113.083 114.554 -0.009 0.000 2.893 483 T HA 0.777 5.128 4.350 0.002 0.000 0.293 483 T C -0.066 174.373 174.700 -0.434 0.000 1.027 483 T CA -0.814 61.149 62.100 -0.228 0.000 0.988 483 T CB 2.316 71.096 68.868 -0.147 0.000 1.043 483 T HN 0.748 nan 8.240 nan 0.000 0.461 484 G N 0.612 108.709 108.800 -1.172 0.000 2.706 484 G HA2 0.717 4.678 3.960 0.002 0.000 0.307 484 G HA3 0.717 4.678 3.960 0.002 0.000 0.307 484 G C -1.381 173.043 174.900 -0.792 0.000 1.307 484 G CA -0.774 43.806 45.100 -0.866 0.000 0.790 484 G HN 0.874 nan 8.290 nan 0.000 0.503 485 T N 0.168 114.534 114.554 -0.313 0.000 2.903 485 T HA 0.697 5.048 4.350 0.002 0.000 0.299 485 T C -0.630 174.041 174.700 -0.049 0.000 1.093 485 T CA -0.205 61.741 62.100 -0.257 0.000 1.002 485 T CB 1.574 70.257 68.868 -0.308 0.000 1.127 485 T HN 1.071 nan 8.240 nan 0.000 0.488 486 I N -1.629 118.905 120.570 -0.059 0.000 3.004 486 I HA 0.636 4.807 4.170 0.002 0.000 0.305 486 I C -1.134 174.983 176.117 -0.001 0.000 1.312 486 I CA -1.463 59.844 61.300 0.011 0.000 0.992 486 I CB 1.841 39.866 38.000 0.041 0.000 1.282 486 I HN 0.368 nan 8.210 nan 0.000 0.449 487 M N 3.105 122.723 119.600 0.031 0.000 2.242 487 M HA 0.491 4.972 4.480 0.002 0.000 0.344 487 M C 0.513 176.841 176.300 0.047 0.000 1.140 487 M CA 0.101 55.422 55.300 0.034 0.000 1.160 487 M CB 1.007 33.632 32.600 0.041 0.000 1.491 487 M HN 0.898 nan 8.290 nan 0.000 0.459 488 A N 2.318 125.168 122.820 0.049 0.000 2.249 488 A HA 0.614 4.935 4.320 0.002 0.000 0.281 488 A C 1.158 178.762 177.584 0.033 0.000 1.127 488 A CA 0.208 52.272 52.037 0.045 0.000 0.833 488 A CB -0.146 18.875 19.000 0.036 0.000 1.140 488 A HN 0.945 nan 8.150 nan 0.000 0.502 489 A N -0.312 122.521 122.820 0.022 0.000 2.178 489 A HA -0.080 4.241 4.320 0.002 0.000 0.218 489 A C 1.231 178.825 177.584 0.017 0.000 1.157 489 A CA 1.842 53.891 52.037 0.020 0.000 0.689 489 A CB -0.684 18.325 19.000 0.016 0.000 0.787 489 A HN 0.829 nan 8.150 nan 0.000 0.465 490 D N -2.161 118.248 120.400 0.015 0.000 2.340 490 D HA 0.217 4.858 4.640 0.002 0.000 0.220 490 D C 1.266 177.582 176.300 0.028 0.000 1.039 490 D CA 0.875 54.885 54.000 0.018 0.000 0.866 490 D CB -0.662 40.146 40.800 0.014 0.000 0.913 490 D HN 0.639 nan 8.370 nan 0.000 0.523 491 G N 1.004 109.823 108.800 0.031 0.000 2.257 491 G HA2 -0.430 3.531 3.960 0.002 0.000 0.267 491 G HA3 -0.430 3.531 3.960 0.002 0.000 0.267 491 G C 1.032 175.956 174.900 0.040 0.000 0.984 491 G CA 1.013 46.134 45.100 0.034 0.000 0.626 491 G HN 0.599 nan 8.290 nan 0.000 0.540 492 Q N -1.542 118.285 119.800 0.046 0.000 2.477 492 Q HA 0.224 4.565 4.340 0.002 0.000 0.252 492 Q C 0.558 176.602 176.000 0.073 0.000 0.869 492 Q CA 0.710 56.547 55.803 0.056 0.000 0.969 492 Q CB 0.130 28.902 28.738 0.057 0.000 1.144 492 Q HN 0.349 nan 8.270 nan 0.000 0.577 493 T N 4.829 119.435 114.554 0.087 0.000 2.799 493 T HA 0.277 4.628 4.350 0.002 0.000 0.296 493 T C -2.581 172.189 174.700 0.116 0.000 0.947 493 T CA -0.997 61.185 62.100 0.136 0.000 1.141 493 T CB 1.031 70.009 68.868 0.183 0.000 0.891 493 T HN 0.093 nan 8.240 nan 0.000 0.533 494 P HA 0.248 nan 4.420 nan 0.000 0.275 494 P C -0.581 176.635 177.300 -0.141 0.000 1.276 494 P CA -0.131 62.935 63.100 -0.057 0.000 0.782 494 P CB 0.314 31.980 31.700 -0.058 0.000 0.851 495 L N 4.393 125.503 121.223 -0.188 0.000 2.334 495 L HA 0.467 4.808 4.340 0.002 0.000 0.275 495 L C -0.162 176.448 176.870 -0.434 0.000 1.036 495 L CA -0.915 53.859 54.840 -0.110 0.000 0.807 495 L CB 0.839 42.940 42.059 0.071 0.000 1.231 495 L HN 0.325 nan 8.230 nan 0.000 0.438 496 Y N 1.243 121.580 120.300 0.062 0.000 2.409 496 Y HA 0.495 5.047 4.550 0.002 0.000 0.339 496 Y C -0.265 175.627 175.900 -0.014 0.000 1.033 496 Y CA -0.713 57.366 58.100 -0.035 0.000 1.094 496 Y CB 1.474 39.895 38.460 -0.065 0.000 1.210 496 Y HN 0.389 nan 8.280 nan 0.000 0.456 497 Y N -0.355 119.954 120.300 0.014 0.000 2.576 497 Y HA 0.774 5.324 4.550 0.002 0.000 0.346 497 Y C -1.441 174.428 175.900 -0.053 0.000 1.018 497 Y CA -2.123 55.906 58.100 -0.119 0.000 1.050 497 Y CB 1.710 40.048 38.460 -0.203 0.000 1.280 497 Y HN 0.515 nan 8.280 nan 0.000 0.474 498 K N 2.552 123.043 120.400 0.153 0.000 2.397 498 K HA 0.652 4.973 4.320 0.002 0.000 0.253 498 K C -2.346 174.424 176.600 0.283 0.000 0.932 498 K CA -0.955 55.418 56.287 0.144 0.000 0.795 498 K CB 1.764 34.286 32.500 0.036 0.000 1.159 498 K HN 0.812 nan 8.250 nan 0.000 0.424 499 L N 3.530 124.963 121.223 0.350 0.000 2.343 499 L HA 0.416 4.757 4.340 0.002 0.000 0.278 499 L C -1.144 175.805 176.870 0.132 0.000 0.996 499 L CA 0.076 55.133 54.840 0.361 0.000 0.831 499 L CB 1.838 44.208 42.059 0.519 0.000 1.232 499 L HN 0.584 nan 8.230 nan 0.000 0.413 500 T N 6.138 120.738 114.554 0.076 0.000 2.747 500 T HA 0.412 4.763 4.350 0.002 0.000 0.301 500 T C 0.365 174.992 174.700 -0.122 0.000 0.952 500 T CA -0.510 61.559 62.100 -0.051 0.000 0.983 500 T CB 0.256 69.085 68.868 -0.064 0.000 0.930 500 T HN 0.394 nan 8.240 nan 0.000 0.494 501 M N 5.282 124.725 119.600 -0.262 0.000 2.243 501 M HA 0.265 4.746 4.480 0.002 0.000 0.341 501 M C -2.106 173.975 176.300 -0.365 0.000 1.130 501 M CA -3.370 51.635 55.300 -0.491 0.000 1.162 501 M CB -0.198 31.968 32.600 -0.723 0.000 1.497 501 M HN 0.249 nan 8.290 nan 0.000 0.456 502 P HA 0.086 nan 4.420 nan 0.000 0.271 502 P C -0.329 176.850 177.300 -0.202 0.000 1.216 502 P CA -0.603 62.347 63.100 -0.250 0.000 0.771 502 P CB 0.498 32.028 31.700 -0.282 0.000 0.864 503 L N 5.821 126.946 121.223 -0.162 0.000 2.615 503 L HA -0.064 4.277 4.340 0.002 0.000 0.284 503 L C 0.712 177.486 176.870 -0.160 0.000 1.237 503 L CA 0.935 55.626 54.840 -0.249 0.000 0.905 503 L CB -1.186 40.700 42.059 -0.288 0.000 1.149 503 L HN 0.500 nan 8.230 nan 0.000 0.499 504 H N 2.593 121.662 119.070 -0.002 0.000 2.880 504 H HA -0.252 4.305 4.556 0.002 0.000 0.304 504 H C -0.059 175.289 175.328 0.032 0.000 1.259 504 H CA 0.799 56.858 56.048 0.019 0.000 1.153 504 H CB -2.236 27.546 29.762 0.032 0.000 1.395 504 H HN 0.583 nan 8.280 nan 0.000 0.420 505 F N 2.273 122.150 119.950 -0.123 0.000 2.629 505 F HA 0.198 4.726 4.527 0.002 0.000 0.377 505 F C 0.584 176.354 175.800 -0.050 0.000 1.101 505 F CA 0.162 57.995 58.000 -0.278 0.000 1.301 505 F CB 0.594 39.325 39.000 -0.447 0.000 1.062 505 F HN 0.216 nan 8.300 nan 0.000 0.583 506 D N 8.290 128.250 120.400 -0.733 0.000 2.476 506 D HA 0.241 4.882 4.640 0.002 0.000 0.251 506 D C -2.043 173.795 176.300 -0.770 0.000 1.291 506 D CA -1.958 51.725 54.000 -0.529 0.000 0.939 506 D CB 1.947 42.668 40.800 -0.131 0.000 1.221 506 D HN 0.252 nan 8.370 nan 0.000 0.567 507 P HA -0.126 nan 4.420 nan 0.000 0.223 507 P C 1.044 178.287 177.300 -0.096 0.000 1.144 507 P CA 0.555 63.403 63.100 -0.419 0.000 0.783 507 P CB 0.326 31.939 31.700 -0.144 0.000 0.771 508 A N -0.371 122.374 122.820 -0.124 0.000 2.014 508 A HA -0.073 4.248 4.320 0.002 0.000 0.218 508 A C 1.432 178.982 177.584 -0.056 0.000 1.163 508 A CA 0.964 52.962 52.037 -0.064 0.000 0.652 508 A CB -0.521 18.434 19.000 -0.076 0.000 0.808 508 A HN 0.114 nan 8.150 nan 0.000 0.449 509 K N 0.220 120.572 120.400 -0.080 0.000 2.117 509 K HA 0.350 4.671 4.320 0.002 0.000 0.240 509 K C -0.517 176.068 176.600 -0.024 0.000 1.031 509 K CA -0.146 56.045 56.287 -0.160 0.000 0.909 509 K CB 0.294 32.514 32.500 -0.467 0.000 1.097 509 K HN -0.009 nan 8.250 nan 0.000 0.492 510 K N 2.017 122.320 120.400 -0.162 0.000 2.626 510 K HA 0.239 4.560 4.320 0.002 0.000 0.223 510 K C -0.912 175.638 176.600 -0.082 0.000 0.992 510 K CA -0.410 55.872 56.287 -0.008 0.000 1.024 510 K CB 0.553 33.019 32.500 -0.057 0.000 1.225 510 K HN 0.406 nan 8.250 nan 0.000 0.498 511 Y N 2.428 122.838 120.300 0.183 0.000 2.316 511 Y HA 0.269 4.820 4.550 0.002 0.000 0.324 511 Y C -1.657 174.263 175.900 0.034 0.000 1.267 511 Y CA -2.019 56.154 58.100 0.122 0.000 1.311 511 Y CB 0.239 38.864 38.460 0.274 0.000 1.267 511 Y HN 0.368 nan 8.280 nan 0.000 0.516 512 P HA 0.249 nan 4.420 nan 0.000 0.282 512 P C -1.165 176.205 177.300 0.118 0.000 1.249 512 P CA -0.262 62.839 63.100 0.002 0.000 0.806 512 P CB 2.362 33.945 31.700 -0.195 0.000 0.984 513 V N 3.979 123.974 119.914 0.135 0.000 2.823 513 V HA 0.519 4.640 4.120 0.002 0.000 0.312 513 V C -0.661 175.546 176.094 0.188 0.000 1.072 513 V CA -1.123 61.278 62.300 0.169 0.000 0.937 513 V CB 1.782 33.651 31.823 0.076 0.000 1.013 513 V HN 0.357 nan 8.190 nan 0.000 0.430 514 I N 5.762 126.445 120.570 0.188 0.000 2.436 514 I HA 0.431 4.603 4.170 0.002 0.000 0.289 514 I C -0.597 175.708 176.117 0.314 0.000 1.010 514 I CA -0.941 60.462 61.300 0.171 0.000 1.098 514 I CB 2.132 40.084 38.000 -0.080 0.000 1.266 514 I HN 0.281 nan 8.210 nan 0.000 0.434 515 V N 6.767 126.914 119.914 0.388 0.000 2.408 515 V HA 0.093 4.214 4.120 0.002 0.000 0.267 515 V C -0.514 175.814 176.094 0.391 0.000 1.047 515 V CA -0.413 62.152 62.300 0.442 0.000 0.937 515 V CB 0.572 32.683 31.823 0.481 0.000 0.999 515 V HN 0.455 nan 8.190 nan 0.000 0.472 516 Y N 5.587 126.052 120.300 0.274 0.000 2.327 516 Y HA 0.625 5.176 4.550 0.002 0.000 0.336 516 Y C -0.271 175.704 175.900 0.125 0.000 1.035 516 Y CA -0.338 57.897 58.100 0.225 0.000 1.165 516 Y CB 1.537 40.171 38.460 0.291 0.000 1.181 516 Y HN 0.448 nan 8.280 nan 0.000 0.494 517 V N 8.232 127.850 119.914 -0.493 0.000 2.841 517 V HA 0.311 4.432 4.120 0.002 0.000 0.310 517 V C -1.451 174.464 176.094 -0.298 0.000 1.090 517 V CA -0.380 61.749 62.300 -0.284 0.000 0.930 517 V CB 1.697 33.444 31.823 -0.127 0.000 1.014 517 V HN 0.896 nan 8.190 nan 0.000 0.425 518 Y N 4.722 124.910 120.300 -0.187 0.000 2.687 518 Y HA 0.536 5.087 4.550 0.002 0.000 0.246 518 Y C 1.800 177.730 175.900 0.049 0.000 1.061 518 Y CA 1.667 59.732 58.100 -0.059 0.000 1.400 518 Y CB 0.375 38.830 38.460 -0.009 0.000 1.325 518 Y HN 1.021 nan 8.280 nan 0.000 0.498 519 G N 0.195 108.991 108.800 -0.006 0.000 2.328 519 G HA2 -0.300 3.661 3.960 0.002 0.000 0.256 519 G HA3 -0.300 3.661 3.960 0.002 0.000 0.256 519 G C 0.876 175.513 174.900 -0.439 0.000 1.014 519 G CA 0.467 45.500 45.100 -0.111 0.000 0.620 519 G HN 0.929 nan 8.290 nan 0.000 0.530 520 G N 1.325 109.467 108.800 -1.096 0.000 2.667 520 G HA2 0.542 4.503 3.960 0.002 0.000 0.250 520 G HA3 0.542 4.503 3.960 0.002 0.000 0.250 520 G C -1.479 173.053 174.900 -0.614 0.000 1.212 520 G CA -0.029 44.003 45.100 -1.780 0.000 0.874 520 G HN 0.426 nan 8.290 nan 0.000 0.561 521 P HA 0.085 nan 4.420 nan 0.000 0.272 521 P C -0.153 177.122 177.300 -0.041 0.000 1.223 521 P CA 0.190 63.041 63.100 -0.415 0.000 0.784 521 P CB 0.728 31.896 31.700 -0.888 0.000 0.923 522 H N -2.392 116.692 119.070 0.023 0.000 3.636 522 H HA -0.147 4.410 4.556 0.002 0.000 0.179 522 H C 0.097 175.475 175.328 0.082 0.000 0.968 522 H CA 1.243 57.342 56.048 0.086 0.000 1.220 522 H CB -1.890 27.951 29.762 0.131 0.000 1.023 522 H HN 0.736 nan 8.280 nan 0.000 0.366 523 A N 0.507 123.437 122.820 0.183 0.000 2.401 523 A HA 0.691 5.012 4.320 0.002 0.000 0.310 523 A C -0.373 177.277 177.584 0.111 0.000 1.075 523 A CA -0.510 51.588 52.037 0.100 0.000 0.746 523 A CB 2.590 21.566 19.000 -0.040 0.000 1.277 523 A HN 0.161 nan 8.150 nan 0.000 0.425 524 Q N 1.980 121.827 119.800 0.078 0.000 2.295 524 Q HA 0.388 4.729 4.340 0.002 0.000 0.259 524 Q C -1.000 175.040 176.000 0.067 0.000 0.966 524 Q CA -0.519 55.335 55.803 0.084 0.000 0.763 524 Q CB 1.337 30.117 28.738 0.069 0.000 1.283 524 Q HN 0.667 nan 8.270 nan 0.000 0.445 525 L N 2.632 123.907 121.223 0.087 0.000 2.354 525 L HA 0.140 4.481 4.340 0.002 0.000 0.212 525 L C 0.520 177.426 176.870 0.061 0.000 1.091 525 L CA 0.827 55.718 54.840 0.085 0.000 0.828 525 L CB 0.546 42.691 42.059 0.142 0.000 0.973 525 L HN 0.358 nan 8.230 nan 0.000 0.461 526 V N 0.801 120.749 119.914 0.058 0.000 2.288 526 V HA 0.463 4.585 4.120 0.002 0.000 0.266 526 V C 0.158 176.252 176.094 -0.000 0.000 1.048 526 V CA -0.252 62.069 62.300 0.034 0.000 0.842 526 V CB 0.033 31.893 31.823 0.062 0.000 1.064 526 V HN 0.417 nan 8.190 nan 0.000 0.472 527 T N 0.847 115.394 114.554 -0.011 0.000 2.883 527 T HA 0.477 4.828 4.350 0.002 0.000 0.296 527 T C -0.381 174.302 174.700 -0.027 0.000 1.117 527 T CA -1.074 61.010 62.100 -0.027 0.000 1.006 527 T CB 1.957 70.823 68.868 -0.004 0.000 1.191 527 T HN 0.330 nan 8.240 nan 0.000 0.508 528 K N 2.396 122.782 120.400 -0.024 0.000 2.081 528 K HA 0.273 4.594 4.320 0.002 0.000 0.230 528 K C 0.041 176.619 176.600 -0.035 0.000 1.199 528 K CA 0.015 56.290 56.287 -0.020 0.000 1.130 528 K CB -0.460 32.045 32.500 0.008 0.000 1.386 528 K HN 0.620 nan 8.250 nan 0.000 0.280 529 T N 0.370 114.905 114.554 -0.032 0.000 2.769 529 T HA 0.279 4.630 4.350 0.002 0.000 0.258 529 T C -0.701 174.027 174.700 0.047 0.000 1.008 529 T CA -0.783 61.305 62.100 -0.020 0.000 1.021 529 T CB 0.935 69.800 68.868 -0.005 0.000 1.788 529 T HN 0.512 nan 8.240 nan 0.000 0.577 530 W N 2.215 123.432 121.300 -0.138 0.000 2.361 530 W HA 0.441 5.102 4.660 0.002 0.000 0.314 530 W C 0.496 176.963 176.519 -0.087 0.000 1.041 530 W CA 0.056 57.327 57.345 -0.124 0.000 1.241 530 W CB 0.190 29.564 29.460 -0.143 0.000 1.279 530 W HN 1.103 nan 8.180 nan 0.000 0.436 531 R N 2.058 122.111 120.500 -0.745 0.000 3.794 531 R HA -0.321 4.020 4.340 0.002 0.000 0.485 531 R C 0.699 176.839 176.300 -0.266 0.000 0.241 531 R CA 1.590 57.333 56.100 -0.595 0.000 1.522 531 R CB -2.196 27.689 30.300 -0.691 0.000 0.988 531 R HN 0.963 nan 8.270 nan 0.000 0.570 532 S N 0.317 115.904 115.700 -0.188 0.000 2.592 532 S HA 0.422 4.893 4.470 0.002 0.000 0.256 532 S C 0.872 175.440 174.600 -0.054 0.000 1.369 532 S CA 1.240 59.380 58.200 -0.099 0.000 0.984 532 S CB 0.157 63.317 63.200 -0.067 0.000 0.919 532 S HN 2.388 nan 8.310 nan 0.000 0.576 533 S N 0.221 115.902 115.700 -0.033 0.000 2.745 533 S HA 0.362 4.833 4.470 0.002 0.000 0.232 533 S C -0.580 174.017 174.600 -0.005 0.000 0.804 533 S CA -0.561 57.633 58.200 -0.009 0.000 1.071 533 S CB 0.076 63.276 63.200 -0.001 0.000 1.480 533 S HN 0.544 nan 8.310 nan 0.000 0.467 534 V N 0.767 120.666 119.914 -0.025 0.000 3.503 534 V HA 0.540 4.661 4.120 0.002 0.000 0.426 534 V C 1.324 177.425 176.094 0.012 0.000 1.555 534 V CA 0.046 62.311 62.300 -0.059 0.000 1.586 534 V CB 0.129 31.783 31.823 -0.281 0.000 1.152 534 V HN 1.013 nan 8.190 nan 0.000 0.571 535 G N 0.783 109.609 108.800 0.043 0.000 2.153 535 G HA2 -0.038 3.923 3.960 0.002 0.000 0.252 535 G HA3 -0.038 3.923 3.960 0.002 0.000 0.252 535 G C 1.225 176.231 174.900 0.176 0.000 0.994 535 G CA 0.708 45.867 45.100 0.099 0.000 0.698 535 G HN 2.012 nan 8.290 nan 0.000 0.521 536 G N -1.893 106.972 108.800 0.109 0.000 2.148 536 G HA2 -0.334 3.627 3.960 0.002 0.000 0.254 536 G HA3 -0.334 3.627 3.960 0.002 0.000 0.254 536 G C 1.033 176.029 174.900 0.160 0.000 0.981 536 G CA 1.158 46.319 45.100 0.103 0.000 0.670 536 G HN 1.576 nan 8.290 nan 0.000 0.528 537 W N 1.847 123.121 121.300 -0.043 0.000 2.388 537 W HA -0.026 4.635 4.660 0.002 0.000 0.294 537 W C 2.195 178.635 176.519 -0.132 0.000 1.212 537 W CA 2.131 59.341 57.345 -0.225 0.000 1.271 537 W CB 0.013 29.173 29.460 -0.501 0.000 1.126 537 W HN 0.438 nan 8.180 nan 0.000 0.535 538 D N 0.383 120.680 120.400 -0.171 0.000 2.104 538 D HA -0.278 4.363 4.640 0.002 0.000 0.194 538 D C 2.058 178.185 176.300 -0.288 0.000 0.994 538 D CA 2.071 55.900 54.000 -0.284 0.000 0.830 538 D CB -1.202 39.530 40.800 -0.114 0.000 0.959 538 D HN 0.336 nan 8.370 nan 0.000 0.452 539 I N -0.323 120.148 120.570 -0.164 0.000 2.394 539 I HA -0.219 3.952 4.170 0.002 0.000 0.251 539 I C 2.612 178.685 176.117 -0.074 0.000 1.136 539 I CA 0.773 62.001 61.300 -0.120 0.000 1.425 539 I CB -0.391 37.558 38.000 -0.085 0.000 1.079 539 I HN 0.035 nan 8.210 nan 0.000 0.425 540 Y N 0.858 120.997 120.300 -0.269 0.000 2.133 540 Y HA -0.290 4.261 4.550 0.002 0.000 0.287 540 Y C 2.801 178.501 175.900 -0.334 0.000 1.134 540 Y CA 1.040 58.992 58.100 -0.248 0.000 1.133 540 Y CB 0.115 38.437 38.460 -0.232 0.000 0.987 540 Y HN -0.010 nan 8.280 nan 0.000 0.502 541 M N 0.501 119.705 119.600 -0.661 0.000 2.108 541 M HA -0.231 4.250 4.480 0.002 0.000 0.261 541 M C 2.546 178.660 176.300 -0.311 0.000 1.066 541 M CA 1.678 56.554 55.300 -0.706 0.000 1.107 541 M CB -1.637 30.328 32.600 -1.058 0.000 1.356 541 M HN 0.493 nan 8.290 nan 0.000 0.406 542 A N -0.210 122.462 122.820 -0.247 0.000 1.986 542 A HA -0.224 4.097 4.320 0.002 0.000 0.220 542 A C 2.014 179.547 177.584 -0.083 0.000 1.171 542 A CA 1.639 53.596 52.037 -0.133 0.000 0.640 542 A CB -0.732 18.176 19.000 -0.153 0.000 0.811 542 A HN 0.681 nan 8.150 nan 0.000 0.451 543 Q N -0.696 119.059 119.800 -0.075 0.000 2.297 543 Q HA -0.030 4.311 4.340 0.002 0.000 0.204 543 Q C 0.974 176.986 176.000 0.019 0.000 0.962 543 Q CA 1.011 56.801 55.803 -0.023 0.000 0.879 543 Q CB -0.050 28.710 28.738 0.036 0.000 0.947 543 Q HN 0.585 nan 8.270 nan 0.000 0.462 544 K N -0.496 119.903 120.400 -0.001 0.000 2.500 544 K HA 0.157 4.478 4.320 0.002 0.000 0.206 544 K C 0.518 177.244 176.600 0.209 0.000 1.034 544 K CA 0.398 56.727 56.287 0.069 0.000 1.179 544 K CB 0.837 33.316 32.500 -0.034 0.000 0.884 544 K HN 0.304 nan 8.250 nan 0.000 0.493 545 G N 0.649 109.544 108.800 0.157 0.000 2.195 545 G HA2 -0.268 3.693 3.960 0.002 0.000 0.246 545 G HA3 -0.268 3.693 3.960 0.002 0.000 0.246 545 G C -0.388 174.559 174.900 0.077 0.000 0.984 545 G CA -0.208 44.977 45.100 0.141 0.000 0.633 545 G HN 0.238 nan 8.290 nan 0.000 0.525 546 Y N 1.130 121.431 120.300 0.002 0.000 2.361 546 Y HA 0.716 5.267 4.550 0.002 0.000 0.332 546 Y C 0.678 176.551 175.900 -0.045 0.000 1.101 546 Y CA -0.673 57.425 58.100 -0.003 0.000 1.137 546 Y CB 1.698 40.096 38.460 -0.104 0.000 1.207 546 Y HN 0.446 nan 8.280 nan 0.000 0.463 547 A N 2.667 125.592 122.820 0.175 0.000 2.309 547 A HA 0.700 5.021 4.320 0.002 0.000 0.298 547 A C -0.902 176.774 177.584 0.154 0.000 1.165 547 A CA -0.555 51.563 52.037 0.135 0.000 0.821 547 A CB 0.323 19.508 19.000 0.309 0.000 1.102 547 A HN 0.550 nan 8.150 nan 0.000 0.500 548 V N 2.290 122.272 119.914 0.114 0.000 2.513 548 V HA 0.580 4.701 4.120 0.002 0.000 0.299 548 V C -0.800 175.476 176.094 0.303 0.000 1.035 548 V CA -0.327 62.074 62.300 0.169 0.000 0.889 548 V CB 1.265 33.111 31.823 0.039 0.000 0.988 548 V HN 0.796 nan 8.190 nan 0.000 0.440 549 F N 2.963 123.030 119.950 0.195 0.000 2.547 549 F HA 0.780 5.308 4.527 0.002 0.000 0.316 549 F C -0.188 175.759 175.800 0.244 0.000 1.121 549 F CA 0.075 58.196 58.000 0.202 0.000 0.911 549 F CB 2.247 41.347 39.000 0.166 0.000 1.179 549 F HN 0.488 nan 8.300 nan 0.000 0.443 550 T N 5.280 119.550 114.554 -0.473 0.000 2.900 550 T HA 0.666 5.017 4.350 0.002 0.000 0.295 550 T C -1.748 172.614 174.700 -0.564 0.000 1.044 550 T CA -0.706 61.210 62.100 -0.307 0.000 0.995 550 T CB 1.885 70.784 68.868 0.053 0.000 1.072 550 T HN 0.599 nan 8.240 nan 0.000 0.473 551 V N 2.154 121.899 119.914 -0.283 0.000 2.711 551 V HA 0.353 4.474 4.120 0.002 0.000 0.304 551 V C -1.467 174.655 176.094 0.047 0.000 1.097 551 V CA -0.858 61.371 62.300 -0.117 0.000 0.906 551 V CB 2.038 33.820 31.823 -0.067 0.000 1.015 551 V HN 0.892 nan 8.190 nan 0.000 0.427 552 D N 5.249 125.723 120.400 0.122 0.000 2.455 552 D HA 0.195 4.836 4.640 0.002 0.000 0.234 552 D C 0.726 177.171 176.300 0.243 0.000 1.224 552 D CA 0.395 54.507 54.000 0.186 0.000 0.999 552 D CB 0.856 41.786 40.800 0.217 0.000 1.072 552 D HN 0.776 nan 8.370 nan 0.000 0.514 553 S N 2.040 117.828 115.700 0.146 0.000 2.600 553 S HA 0.214 4.685 4.470 0.002 0.000 0.265 553 S C 0.671 175.254 174.600 -0.028 0.000 1.325 553 S CA -0.816 57.431 58.200 0.078 0.000 1.002 553 S CB 1.449 64.662 63.200 0.020 0.000 0.921 553 S HN 0.294 nan 8.310 nan 0.000 0.554 554 R N 0.522 120.841 120.500 -0.301 0.000 2.537 554 R HA 0.347 4.688 4.340 0.002 0.000 0.281 554 R C 1.464 177.478 176.300 -0.477 0.000 0.988 554 R CA 1.233 56.824 56.100 -0.847 0.000 1.077 554 R CB -0.209 29.660 30.300 -0.718 0.000 0.932 554 R HN 1.105 nan 8.270 nan 0.000 0.409 555 G N 1.269 109.797 108.800 -0.454 0.000 2.316 555 G HA2 -0.283 3.678 3.960 0.002 0.000 0.203 555 G HA3 -0.283 3.678 3.960 0.002 0.000 0.203 555 G C 0.143 174.973 174.900 -0.117 0.000 0.999 555 G CA -0.018 44.930 45.100 -0.254 0.000 0.649 555 G HN 0.709 nan 8.290 nan 0.000 0.489 556 S N 0.768 116.504 115.700 0.059 0.000 2.596 556 S HA 0.754 5.225 4.470 0.002 0.000 0.260 556 S C 0.811 175.540 174.600 0.215 0.000 1.336 556 S CA 0.657 58.955 58.200 0.162 0.000 0.993 556 S CB 1.562 64.915 63.200 0.254 0.000 0.923 556 S HN 1.905 nan 8.310 nan 0.000 0.567 557 A N 0.672 123.575 122.820 0.138 0.000 2.257 557 A HA 0.574 4.895 4.320 0.002 0.000 0.289 557 A C 0.736 178.359 177.584 0.065 0.000 1.095 557 A CA -0.540 51.556 52.037 0.099 0.000 0.836 557 A CB -0.480 18.584 19.000 0.106 0.000 1.111 557 A HN 1.086 nan 8.150 nan 0.000 0.497 558 N N -0.884 117.850 118.700 0.056 0.000 2.741 558 N HA -0.135 4.606 4.740 0.002 0.000 0.251 558 N C 0.107 175.618 175.510 0.003 0.000 1.112 558 N CA 1.102 54.183 53.050 0.051 0.000 0.750 558 N CB -0.537 37.990 38.487 0.066 0.000 1.119 558 N HN 0.648 nan 8.380 nan 0.000 0.561 559 R N 0.265 120.708 120.500 -0.095 0.000 2.565 559 R HA 0.362 4.703 4.340 0.002 0.000 0.347 559 R C 1.106 177.287 176.300 -0.198 0.000 1.010 559 R CA 0.625 56.583 56.100 -0.236 0.000 1.126 559 R CB 0.486 30.144 30.300 -1.071 0.000 1.331 559 R HN 0.393 nan 8.270 nan 0.000 0.552 560 G N -0.165 108.466 108.800 -0.282 0.000 2.663 560 G HA2 -0.180 3.781 3.960 0.002 0.000 0.686 560 G HA3 -0.180 3.781 3.960 0.002 0.000 0.686 560 G C 0.623 175.234 174.900 -0.483 0.000 1.246 560 G CA -0.377 44.219 45.100 -0.839 0.000 0.795 560 G HN 0.123 nan 8.290 nan 0.000 0.627 561 A N 0.561 123.049 122.820 -0.552 0.000 1.908 561 A HA 0.265 4.587 4.320 0.002 0.000 0.218 561 A C 2.962 180.400 177.584 -0.242 0.000 1.181 561 A CA 3.466 55.309 52.037 -0.323 0.000 0.627 561 A CB -0.873 17.938 19.000 -0.316 0.000 0.818 561 A HN 2.530 nan 8.150 nan 0.000 0.445 562 A N -1.330 121.331 122.820 -0.265 0.000 1.902 562 A HA -0.076 4.245 4.320 0.002 0.000 0.217 562 A C 2.053 179.599 177.584 -0.063 0.000 1.181 562 A CA 1.591 53.549 52.037 -0.131 0.000 0.623 562 A CB -0.732 18.218 19.000 -0.084 0.000 0.818 562 A HN 0.680 nan 8.150 nan 0.000 0.443 563 F N 0.556 120.397 119.950 -0.183 0.000 2.216 563 F HA -0.135 4.393 4.527 0.002 0.000 0.300 563 F C 2.200 177.938 175.800 -0.104 0.000 1.085 563 F CA 2.098 60.034 58.000 -0.105 0.000 1.326 563 F CB 0.043 38.995 39.000 -0.080 0.000 1.027 563 F HN 0.467 nan 8.300 nan 0.000 0.497 564 E N -0.388 119.812 120.200 0.000 0.000 2.057 564 E HA -0.161 4.190 4.350 0.002 0.000 0.190 564 E C 1.981 178.511 176.600 -0.116 0.000 0.969 564 E CA 0.588 56.949 56.400 -0.064 0.000 0.812 564 E CB -0.272 29.426 29.700 -0.003 0.000 0.777 564 E HN 0.505 nan 8.360 nan 0.000 0.455 565 Q N 0.645 120.365 119.800 -0.133 0.000 2.439 565 Q HA -0.094 4.247 4.340 0.002 0.000 0.211 565 Q C 2.147 177.988 176.000 -0.264 0.000 0.978 565 Q CA 0.675 56.348 55.803 -0.216 0.000 0.897 565 Q CB -0.057 28.418 28.738 -0.438 0.000 0.956 565 Q HN 0.215 nan 8.270 nan 0.000 0.483 566 V N 1.932 121.719 119.914 -0.212 0.000 2.688 566 V HA -0.224 3.897 4.120 0.002 0.000 0.256 566 V C 1.945 177.957 176.094 -0.135 0.000 1.084 566 V CA 1.699 63.894 62.300 -0.175 0.000 1.103 566 V CB -0.434 31.282 31.823 -0.178 0.000 0.688 566 V HN 0.543 nan 8.190 nan 0.000 0.480 567 I N -2.410 118.080 120.570 -0.133 0.000 2.928 567 I HA 0.015 4.186 4.170 0.002 0.000 0.266 567 I C 1.461 177.547 176.117 -0.052 0.000 1.234 567 I CA 0.367 61.596 61.300 -0.118 0.000 1.483 567 I CB -0.909 36.984 38.000 -0.178 0.000 1.097 567 I HN 0.336 nan 8.210 nan 0.000 0.455 568 H N 3.909 122.914 119.070 -0.107 0.000 3.193 568 H HA -0.106 4.451 4.556 0.002 0.000 0.306 568 H C 0.507 175.861 175.328 0.043 0.000 0.960 568 H CA 0.911 56.953 56.048 -0.009 0.000 1.375 568 H CB 0.388 30.115 29.762 -0.059 0.000 1.321 568 H HN 0.400 nan 8.280 nan 0.000 0.578 569 R N 1.924 122.349 120.500 -0.125 0.000 4.024 569 R HA -0.235 4.106 4.340 0.002 0.000 0.391 569 R C 0.032 176.451 176.300 0.197 0.000 1.157 569 R CA 1.812 57.924 56.100 0.020 0.000 1.215 569 R CB -0.954 29.206 30.300 -0.234 0.000 1.738 569 R HN 0.713 nan 8.270 nan 0.000 0.566 570 R N 0.805 121.327 120.500 0.036 0.000 2.772 570 R HA 0.302 4.643 4.340 0.002 0.000 0.358 570 R C -0.281 175.920 176.300 -0.164 0.000 1.143 570 R CA -0.492 55.629 56.100 0.034 0.000 1.153 570 R CB 0.619 30.923 30.300 0.007 0.000 1.329 570 R HN 0.013 nan 8.270 nan 0.000 0.615 571 L N 0.648 121.503 121.223 -0.613 0.000 2.578 571 L HA -0.071 4.270 4.340 0.002 0.000 0.279 571 L C 1.447 178.200 176.870 -0.195 0.000 1.227 571 L CA 1.388 55.773 54.840 -0.757 0.000 0.900 571 L CB 0.219 41.151 42.059 -1.877 0.000 1.144 571 L HN 0.811 nan 8.230 nan 0.000 0.496 572 G N 1.533 110.339 108.800 0.010 0.000 2.320 572 G HA2 -0.319 3.642 3.960 0.002 0.000 0.242 572 G HA3 -0.319 3.642 3.960 0.002 0.000 0.242 572 G C 0.878 175.766 174.900 -0.021 0.000 1.033 572 G CA 0.516 45.655 45.100 0.064 0.000 0.620 572 G HN 0.660 nan 8.290 nan 0.000 0.517 573 Q N -0.229 119.563 119.800 -0.014 0.000 1.942 573 Q HA -0.062 4.279 4.340 0.002 0.000 0.203 573 Q C 2.782 178.774 176.000 -0.014 0.000 0.987 573 Q CA 2.305 58.104 55.803 -0.007 0.000 0.844 573 Q CB -0.446 28.294 28.738 0.003 0.000 0.911 573 Q HN 0.568 nan 8.270 nan 0.000 0.423 574 T N 1.042 115.572 114.554 -0.038 0.000 2.821 574 T HA -0.123 4.228 4.350 0.002 0.000 0.267 574 T C 1.536 176.206 174.700 -0.050 0.000 1.046 574 T CA 1.425 63.495 62.100 -0.050 0.000 1.139 574 T CB -0.208 68.606 68.868 -0.091 0.000 0.871 574 T HN 0.256 nan 8.240 nan 0.000 0.454 575 E N 1.497 121.663 120.200 -0.056 0.000 2.049 575 E HA -0.128 4.223 4.350 0.002 0.000 0.198 575 E C 2.151 178.743 176.600 -0.014 0.000 1.007 575 E CA 1.387 57.762 56.400 -0.042 0.000 0.809 575 E CB -0.412 29.281 29.700 -0.011 0.000 0.749 575 E HN 0.457 nan 8.360 nan 0.000 0.450 576 M N -0.020 119.574 119.600 -0.011 0.000 2.132 576 M HA -0.098 4.383 4.480 0.002 0.000 0.263 576 M C 2.413 178.756 176.300 0.073 0.000 1.065 576 M CA 1.410 56.729 55.300 0.032 0.000 1.122 576 M CB -0.310 32.316 32.600 0.043 0.000 1.365 576 M HN 0.207 nan 8.290 nan 0.000 0.411 577 A N 0.388 123.242 122.820 0.056 0.000 1.940 577 A HA -0.206 4.115 4.320 0.002 0.000 0.219 577 A C 1.663 179.269 177.584 0.037 0.000 1.176 577 A CA 2.206 54.275 52.037 0.052 0.000 0.631 577 A CB -0.697 18.322 19.000 0.033 0.000 0.814 577 A HN 0.381 nan 8.150 nan 0.000 0.446 578 D N -0.884 119.531 120.400 0.025 0.000 2.149 578 D HA -0.077 4.564 4.640 0.002 0.000 0.201 578 D C 2.193 178.539 176.300 0.077 0.000 0.972 578 D CA 0.879 54.900 54.000 0.036 0.000 0.835 578 D CB -0.225 40.579 40.800 0.007 0.000 0.966 578 D HN 0.307 nan 8.370 nan 0.000 0.476 579 Q N -0.338 119.513 119.800 0.084 0.000 2.170 579 Q HA -0.056 4.285 4.340 0.002 0.000 0.203 579 Q C 1.884 177.982 176.000 0.163 0.000 0.976 579 Q CA 0.746 56.634 55.803 0.140 0.000 0.858 579 Q CB -0.162 28.645 28.738 0.115 0.000 0.907 579 Q HN 0.340 nan 8.270 nan 0.000 0.433 580 M N -0.950 118.703 119.600 0.088 0.000 2.476 580 M HA -0.082 4.399 4.480 0.002 0.000 0.262 580 M C 2.055 178.363 176.300 0.013 0.000 1.079 580 M CA 0.516 55.821 55.300 0.008 0.000 1.104 580 M CB -1.008 31.516 32.600 -0.126 0.000 1.409 580 M HN 0.198 nan 8.290 nan 0.000 0.467 581 C N -0.114 119.220 119.300 0.056 0.000 2.468 581 C HA 0.067 4.528 4.460 0.002 0.000 0.277 581 C C 2.728 177.783 174.990 0.109 0.000 1.400 581 C CA 0.776 59.832 59.018 0.064 0.000 1.770 581 C CB -1.576 26.206 27.740 0.071 0.000 1.905 581 C HN 0.674 nan 8.230 nan 0.000 0.519 582 G N 0.013 108.921 108.800 0.179 0.000 2.464 582 G HA2 -0.024 3.937 3.960 0.002 0.000 0.217 582 G HA3 -0.024 3.937 3.960 0.002 0.000 0.217 582 G C 1.599 176.508 174.900 0.014 0.000 1.138 582 G CA 0.888 46.169 45.100 0.302 0.000 0.793 582 G HN 0.388 nan 8.290 nan 0.000 0.539 583 V N 1.243 121.164 119.914 0.011 0.000 2.302 583 V HA -0.103 4.018 4.120 0.002 0.000 0.243 583 V C 2.530 178.516 176.094 -0.180 0.000 1.036 583 V CA 1.908 64.131 62.300 -0.128 0.000 1.020 583 V CB -0.326 31.409 31.823 -0.147 0.000 0.657 583 V HN 0.238 nan 8.190 nan 0.000 0.453 584 D N -0.084 120.251 120.400 -0.109 0.000 2.149 584 D HA -0.240 4.401 4.640 0.002 0.000 0.194 584 D C 1.901 178.117 176.300 -0.140 0.000 1.001 584 D CA 1.658 55.592 54.000 -0.110 0.000 0.849 584 D CB -0.380 40.392 40.800 -0.047 0.000 0.939 584 D HN 0.456 nan 8.370 nan 0.000 0.449 585 F N 1.403 121.214 119.950 -0.231 0.000 2.095 585 F HA -0.163 4.365 4.527 0.002 0.000 0.298 585 F C 2.222 177.786 175.800 -0.394 0.000 1.104 585 F CA 1.209 59.041 58.000 -0.280 0.000 1.232 585 F CB -0.426 38.376 39.000 -0.331 0.000 0.987 585 F HN -0.109 nan 8.300 nan 0.000 0.475 586 L N 0.249 121.123 121.223 -0.582 0.000 2.083 586 L HA -0.223 4.118 4.340 0.002 0.000 0.209 586 L C 2.436 178.912 176.870 -0.656 0.000 1.083 586 L CA 1.275 55.677 54.840 -0.731 0.000 0.752 586 L CB -0.695 41.002 42.059 -0.604 0.000 0.899 586 L HN 0.074 nan 8.230 nan 0.000 0.433 587 K N -0.326 119.794 120.400 -0.467 0.000 2.283 587 K HA -0.045 4.276 4.320 0.002 0.000 0.202 587 K C 2.035 178.409 176.600 -0.376 0.000 1.048 587 K CA 0.904 56.967 56.287 -0.374 0.000 0.948 587 K CB -0.088 32.253 32.500 -0.265 0.000 0.742 587 K HN 0.242 nan 8.250 nan 0.000 0.458 588 S N 1.194 116.628 115.700 -0.442 0.000 2.522 588 S HA -0.021 4.450 4.470 0.002 0.000 0.227 588 S C 0.639 174.991 174.600 -0.414 0.000 0.986 588 S CA 0.566 58.536 58.200 -0.382 0.000 0.929 588 S CB 0.089 63.057 63.200 -0.386 0.000 0.769 588 S HN 0.254 nan 8.310 nan 0.000 0.529 589 Q N 1.210 120.658 119.800 -0.586 0.000 2.261 589 Q HA 0.301 4.642 4.340 0.002 0.000 0.252 589 Q C 1.199 176.920 176.000 -0.465 0.000 0.915 589 Q CA -0.129 55.321 55.803 -0.588 0.000 0.915 589 Q CB 1.350 29.392 28.738 -1.160 0.000 1.204 589 Q HN 0.360 nan 8.270 nan 0.000 0.421 590 S N 2.018 117.607 115.700 -0.184 0.000 2.368 590 S HA -0.104 4.367 4.470 0.002 0.000 0.224 590 S C 1.425 176.008 174.600 -0.028 0.000 1.029 590 S CA 0.866 59.026 58.200 -0.067 0.000 0.988 590 S CB -0.442 62.792 63.200 0.057 0.000 0.838 590 S HN 0.845 nan 8.310 nan 0.000 0.462 591 W N 1.911 123.264 121.300 0.088 0.000 2.721 591 W HA 0.294 4.956 4.660 0.002 0.000 0.245 591 W C -0.274 176.342 176.519 0.162 0.000 1.276 591 W CA -0.309 57.162 57.345 0.210 0.000 1.342 591 W CB -0.935 28.824 29.460 0.498 0.000 1.135 591 W HN 0.025 nan 8.180 nan 0.000 0.654 592 V N 3.904 123.436 119.914 -0.636 0.000 2.408 592 V HA -0.021 4.100 4.120 0.002 0.000 0.267 592 V C 0.173 176.096 176.094 -0.285 0.000 1.047 592 V CA -0.207 61.728 62.300 -0.609 0.000 0.937 592 V CB 0.857 32.128 31.823 -0.920 0.000 0.999 592 V HN -0.100 nan 8.190 nan 0.000 0.472 593 D N 5.308 125.622 120.400 -0.144 0.000 2.416 593 D HA 0.168 4.809 4.640 0.002 0.000 0.240 593 D C 1.204 177.429 176.300 -0.126 0.000 1.250 593 D CA 0.141 54.078 54.000 -0.106 0.000 0.967 593 D CB 1.331 42.095 40.800 -0.060 0.000 1.059 593 D HN 0.640 nan 8.370 nan 0.000 0.512 594 A N 3.743 126.470 122.820 -0.155 0.000 2.298 594 A HA -0.173 4.148 4.320 0.002 0.000 0.215 594 A C 1.382 178.896 177.584 -0.117 0.000 1.193 594 A CA 1.057 52.998 52.037 -0.159 0.000 0.697 594 A CB 0.054 18.957 19.000 -0.161 0.000 0.774 594 A HN 0.509 nan 8.150 nan 0.000 0.492 595 D N -1.326 119.026 120.400 -0.079 0.000 2.433 595 D HA 0.100 4.742 4.640 0.002 0.000 0.211 595 D C 0.411 176.705 176.300 -0.010 0.000 1.114 595 D CA 0.155 54.128 54.000 -0.046 0.000 0.837 595 D CB 0.239 41.018 40.800 -0.035 0.000 0.984 595 D HN 0.429 nan 8.370 nan 0.000 0.505 596 R N 0.824 121.320 120.500 -0.007 0.000 3.026 596 R HA 0.405 4.746 4.340 0.002 0.000 0.317 596 R C -0.233 176.114 176.300 0.080 0.000 1.278 596 R CA -0.173 55.959 56.100 0.055 0.000 1.407 596 R CB 1.010 31.334 30.300 0.041 0.000 1.368 596 R HN -0.051 nan 8.270 nan 0.000 0.612 597 I N 0.714 121.314 120.570 0.051 0.000 2.321 597 I HA 0.366 4.537 4.170 0.002 0.000 0.291 597 I C 0.765 177.013 176.117 0.219 0.000 0.998 597 I CA -0.404 60.928 61.300 0.053 0.000 1.227 597 I CB 1.757 39.668 38.000 -0.150 0.000 1.368 597 I HN 0.293 nan 8.210 nan 0.000 0.466 598 G N 4.699 113.693 108.800 0.325 0.000 2.932 598 G HA2 0.722 4.683 3.960 0.002 0.000 0.283 598 G HA3 0.722 4.683 3.960 0.002 0.000 0.283 598 G C -1.448 173.781 174.900 0.548 0.000 1.336 598 G CA -0.573 44.819 45.100 0.487 0.000 1.056 598 G HN 0.409 nan 8.290 nan 0.000 0.522 599 V N -0.647 119.589 119.914 0.537 0.000 2.924 599 V HA 0.676 4.797 4.120 0.002 0.000 0.300 599 V C -1.981 174.384 176.094 0.451 0.000 1.227 599 V CA -0.743 61.780 62.300 0.371 0.000 0.954 599 V CB 1.998 33.840 31.823 0.032 0.000 1.055 599 V HN 1.180 nan 8.190 nan 0.000 0.429 600 H N 3.478 122.678 119.070 0.218 0.000 2.851 600 H HA 0.926 5.483 4.556 0.002 0.000 0.372 600 H C -0.359 174.873 175.328 -0.159 0.000 1.158 600 H CA 0.100 56.221 56.048 0.121 0.000 1.159 600 H CB 2.313 32.161 29.762 0.144 0.000 1.757 600 H HN 1.177 nan 8.280 nan 0.000 0.546 601 G N 1.967 110.458 108.800 -0.515 0.000 2.632 601 G HA2 0.323 4.284 3.960 0.002 0.000 0.292 601 G HA3 0.323 4.284 3.960 0.002 0.000 0.292 601 G C -2.223 172.482 174.900 -0.326 0.000 1.465 601 G CA -0.841 43.895 45.100 -0.607 0.000 0.824 601 G HN 0.441 nan 8.290 nan 0.000 0.509 602 W N 0.847 121.968 121.300 -0.298 0.000 2.819 602 W HA 0.516 5.177 4.660 0.002 0.000 0.337 602 W C 0.664 177.203 176.519 0.032 0.000 1.077 602 W CA 0.685 57.948 57.345 -0.138 0.000 1.226 602 W CB 1.952 31.341 29.460 -0.119 0.000 1.419 602 W HN 1.745 nan 8.180 nan 0.000 0.502 603 A N 3.045 125.802 122.820 -0.105 0.000 5.122 603 A HA -0.444 3.877 4.320 0.002 0.000 0.315 603 A C 1.172 178.747 177.584 -0.016 0.000 1.926 603 A CA 2.267 54.386 52.037 0.136 0.000 0.712 603 A CB -2.162 17.216 19.000 0.630 0.000 1.325 603 A HN 0.994 nan 8.150 nan 0.000 0.371 604 Y N 1.382 121.630 120.300 -0.087 0.000 2.274 604 Y HA 0.103 4.654 4.550 0.002 0.000 0.290 604 Y C 2.557 178.285 175.900 -0.287 0.000 1.145 604 Y CA 2.661 60.587 58.100 -0.291 0.000 1.203 604 Y CB -0.592 37.410 38.460 -0.763 0.000 0.984 604 Y HN 0.734 nan 8.280 nan 0.000 0.533 605 G N -1.124 107.615 108.800 -0.102 0.000 2.484 605 G HA2 -0.162 3.799 3.960 0.002 0.000 0.218 605 G HA3 -0.162 3.799 3.960 0.002 0.000 0.218 605 G C 1.817 176.589 174.900 -0.213 0.000 1.130 605 G CA 0.661 45.675 45.100 -0.143 0.000 0.784 605 G HN 0.548 nan 8.290 nan 0.000 0.543 606 G N 0.546 109.209 108.800 -0.229 0.000 2.394 606 G HA2 -0.113 3.848 3.960 0.002 0.000 0.215 606 G HA3 -0.113 3.848 3.960 0.002 0.000 0.215 606 G C 1.543 176.279 174.900 -0.274 0.000 1.165 606 G CA 0.693 45.608 45.100 -0.308 0.000 0.784 606 G HN 0.405 nan 8.290 nan 0.000 0.535 607 F N 0.969 120.668 119.950 -0.419 0.000 2.095 607 F HA -0.167 4.361 4.527 0.002 0.000 0.298 607 F C 2.687 178.291 175.800 -0.326 0.000 1.104 607 F CA 1.646 59.398 58.000 -0.414 0.000 1.232 607 F CB 0.045 38.740 39.000 -0.508 0.000 0.987 607 F HN -0.001 nan 8.300 nan 0.000 0.475 608 M N 0.414 119.683 119.600 -0.552 0.000 2.067 608 M HA -0.181 4.300 4.480 0.002 0.000 0.260 608 M C 2.212 178.236 176.300 -0.460 0.000 1.069 608 M CA 2.093 57.051 55.300 -0.571 0.000 1.117 608 M CB -1.745 30.674 32.600 -0.301 0.000 1.334 608 M HN 0.160 nan 8.290 nan 0.000 0.407 609 T N 0.705 115.047 114.554 -0.354 0.000 2.665 609 T HA -0.148 4.203 4.350 0.002 0.000 0.268 609 T C 1.826 176.334 174.700 -0.320 0.000 1.035 609 T CA 2.193 64.111 62.100 -0.303 0.000 1.151 609 T CB -0.414 68.340 68.868 -0.190 0.000 0.862 609 T HN 0.428 nan 8.240 nan 0.000 0.438 610 T N 2.022 116.369 114.554 -0.346 0.000 2.737 610 T HA -0.099 4.252 4.350 0.002 0.000 0.265 610 T C 2.063 176.569 174.700 -0.324 0.000 1.038 610 T CA 1.075 62.963 62.100 -0.353 0.000 1.144 610 T CB -0.475 68.091 68.868 -0.503 0.000 0.866 610 T HN 0.249 nan 8.240 nan 0.000 0.434 611 N N 1.166 119.608 118.700 -0.430 0.000 2.149 611 N HA -0.025 4.716 4.740 0.002 0.000 0.188 611 N C 1.771 177.109 175.510 -0.287 0.000 1.019 611 N CA 1.074 53.886 53.050 -0.397 0.000 0.857 611 N CB -0.515 37.551 38.487 -0.702 0.000 0.997 611 N HN 0.358 nan 8.380 nan 0.000 0.426 612 L N -0.176 120.850 121.223 -0.330 0.000 2.056 612 L HA -0.086 4.255 4.340 0.002 0.000 0.207 612 L C 2.368 179.147 176.870 -0.151 0.000 1.078 612 L CA 0.915 55.589 54.840 -0.277 0.000 0.749 612 L CB -0.281 41.391 42.059 -0.645 0.000 0.901 612 L HN 0.232 nan 8.230 nan 0.000 0.433 613 M N -0.792 118.706 119.600 -0.170 0.000 2.296 613 M HA -0.158 4.324 4.480 0.002 0.000 0.265 613 M C 2.021 178.352 176.300 0.050 0.000 1.064 613 M CA 1.432 56.744 55.300 0.020 0.000 1.109 613 M CB -0.081 32.532 32.600 0.021 0.000 1.396 613 M HN 0.274 nan 8.290 nan 0.000 0.430 614 L N -1.474 119.740 121.223 -0.015 0.000 2.375 614 L HA -0.018 4.323 4.340 0.002 0.000 0.215 614 L C 2.031 178.876 176.870 -0.041 0.000 1.108 614 L CA 0.669 55.514 54.840 0.009 0.000 0.830 614 L CB -0.435 41.638 42.059 0.023 0.000 0.959 614 L HN 0.198 nan 8.230 nan 0.000 0.457 615 T N -2.549 111.934 114.554 -0.119 0.000 3.010 615 T HA 0.074 4.425 4.350 0.002 0.000 0.252 615 T C 0.683 175.109 174.700 -0.456 0.000 1.047 615 T CA 0.638 62.558 62.100 -0.300 0.000 1.140 615 T CB 0.118 68.740 68.868 -0.410 0.000 0.885 615 T HN 0.213 nan 8.240 nan 0.000 0.464 616 H N 0.317 119.469 119.070 0.137 0.000 2.471 616 H HA 0.391 4.948 4.556 0.002 0.000 0.234 616 H C 1.491 176.960 175.328 0.235 0.000 1.388 616 H CA -0.460 55.707 56.048 0.199 0.000 1.198 616 H CB 0.155 30.107 29.762 0.318 0.000 1.714 616 H HN 0.307 nan 8.280 nan 0.000 0.536 617 G N 0.427 109.348 108.800 0.202 0.000 2.479 617 G HA2 -0.241 3.720 3.960 0.002 0.000 0.220 617 G HA3 -0.241 3.720 3.960 0.002 0.000 0.220 617 G C 1.124 176.119 174.900 0.158 0.000 1.115 617 G CA 0.517 45.723 45.100 0.177 0.000 0.757 617 G HN 0.315 nan 8.290 nan 0.000 0.560 618 D N -0.202 120.279 120.400 0.134 0.000 2.194 618 D HA -0.005 4.636 4.640 0.002 0.000 0.204 618 D C 2.694 179.007 176.300 0.022 0.000 0.964 618 D CA 0.335 54.379 54.000 0.073 0.000 0.846 618 D CB -0.012 40.822 40.800 0.056 0.000 0.962 618 D HN 0.243 nan 8.370 nan 0.000 0.490 619 V N 0.247 120.158 119.914 -0.006 0.000 2.379 619 V HA -0.052 4.069 4.120 0.002 0.000 0.243 619 V C 0.527 176.411 176.094 -0.350 0.000 1.035 619 V CA 0.852 62.993 62.300 -0.264 0.000 1.035 619 V CB -0.258 31.254 31.823 -0.518 0.000 0.673 619 V HN -0.011 nan 8.190 nan 0.000 0.457 620 F N 0.762 120.771 119.950 0.098 0.000 2.391 620 F HA 0.432 4.960 4.527 0.002 0.000 0.359 620 F C 1.207 177.082 175.800 0.125 0.000 1.122 620 F CA -0.641 57.431 58.000 0.120 0.000 1.120 620 F CB 0.927 40.008 39.000 0.134 0.000 1.142 620 F HN -0.177 nan 8.300 nan 0.000 0.483 621 K N 1.836 122.397 120.400 0.268 0.000 2.128 621 K HA 0.205 4.526 4.320 0.002 0.000 0.202 621 K C 0.233 176.977 176.600 0.240 0.000 1.050 621 K CA 0.737 57.151 56.287 0.212 0.000 0.966 621 K CB 0.215 32.816 32.500 0.168 0.000 0.759 621 K HN 0.350 nan 8.250 nan 0.000 0.454 622 V N -0.478 119.634 119.914 0.330 0.000 2.876 622 V HA 0.746 4.867 4.120 0.002 0.000 0.312 622 V C -0.083 176.284 176.094 0.456 0.000 1.085 622 V CA -0.877 61.626 62.300 0.338 0.000 0.945 622 V CB 2.088 34.110 31.823 0.330 0.000 1.017 622 V HN 0.380 nan 8.190 nan 0.000 0.428 623 G N 1.042 110.031 108.800 0.315 0.000 2.677 623 G HA2 0.683 4.644 3.960 0.002 0.000 0.291 623 G HA3 0.683 4.644 3.960 0.002 0.000 0.291 623 G C -2.112 172.801 174.900 0.020 0.000 1.435 623 G CA -0.551 44.714 45.100 0.275 0.000 0.826 623 G HN 0.635 nan 8.290 nan 0.000 0.491 624 V N 0.061 119.986 119.914 0.019 0.000 2.569 624 V HA 0.749 4.870 4.120 0.002 0.000 0.301 624 V C -0.087 176.016 176.094 0.014 0.000 1.044 624 V CA -0.592 61.610 62.300 -0.164 0.000 0.874 624 V CB 1.493 33.094 31.823 -0.370 0.000 1.002 624 V HN 1.416 nan 8.190 nan 0.000 0.424 625 A N 3.386 126.130 122.820 -0.125 0.000 2.311 625 A HA 0.855 5.176 4.320 0.002 0.000 0.306 625 A C 0.240 177.569 177.584 -0.426 0.000 1.189 625 A CA -0.102 51.805 52.037 -0.216 0.000 0.791 625 A CB 1.154 19.998 19.000 -0.260 0.000 1.172 625 A HN 1.086 nan 8.150 nan 0.000 0.481 626 G N 0.758 109.109 108.800 -0.747 0.000 2.377 626 G HA2 0.537 4.498 3.960 0.002 0.000 0.299 626 G HA3 0.537 4.498 3.960 0.002 0.000 0.299 626 G C 0.889 174.713 174.900 -1.793 0.000 1.150 626 G CA 0.073 44.130 45.100 -1.739 0.000 0.847 626 G HN 2.031 nan 8.290 nan 0.000 0.501 627 G N 2.402 110.311 108.800 -1.484 0.000 2.385 627 G HA2 -0.187 3.774 3.960 0.002 0.000 0.284 627 G HA3 -0.187 3.774 3.960 0.002 0.000 0.284 627 G C -1.773 172.686 174.900 -0.734 0.000 0.899 627 G CA 0.126 44.538 45.100 -1.148 0.000 1.204 627 G HN 0.645 nan 8.290 nan 0.000 0.486 628 P HA 0.378 nan 4.420 nan 0.000 0.285 628 P C 0.241 177.255 177.300 -0.478 0.000 1.259 628 P CA -0.330 62.498 63.100 -0.454 0.000 0.794 628 P CB 1.834 33.302 31.700 -0.386 0.000 0.940 629 V N 5.751 125.287 119.914 -0.629 0.000 2.488 629 V HA 0.085 4.206 4.120 0.002 0.000 0.277 629 V C 1.698 177.411 176.094 -0.634 0.000 1.046 629 V CA 0.445 62.102 62.300 -1.071 0.000 0.986 629 V CB 0.408 31.236 31.823 -1.659 0.000 0.989 629 V HN 0.526 nan 8.190 nan 0.000 0.475 630 I N 1.855 122.252 120.570 -0.289 0.000 3.565 630 I HA 0.222 4.393 4.170 0.002 0.000 0.287 630 I C 0.368 176.523 176.117 0.064 0.000 1.193 630 I CA 0.443 61.743 61.300 -0.000 0.000 1.402 630 I CB 0.562 38.645 38.000 0.139 0.000 1.284 630 I HN 0.584 nan 8.210 nan 0.000 0.454 631 D N -0.466 120.021 120.400 0.144 0.000 2.462 631 D HA 0.119 4.760 4.640 0.002 0.000 0.245 631 D C 0.087 176.503 176.300 0.193 0.000 1.122 631 D CA -0.625 53.477 54.000 0.170 0.000 0.864 631 D CB 0.722 41.602 40.800 0.134 0.000 1.098 631 D HN 0.035 nan 8.370 nan 0.000 0.541 632 W N 2.543 123.994 121.300 0.252 0.000 2.538 632 W HA 0.010 4.671 4.660 0.002 0.000 0.254 632 W C 1.938 178.776 176.519 0.532 0.000 1.249 632 W CA 0.282 57.824 57.345 0.327 0.000 1.253 632 W CB -0.376 29.228 29.460 0.240 0.000 1.130 632 W HN 0.521 nan 8.180 nan 0.000 0.618 633 N N 0.371 119.426 118.700 0.590 0.000 2.396 633 N HA -0.088 4.653 4.740 0.002 0.000 0.180 633 N C 1.446 177.132 175.510 0.293 0.000 1.028 633 N CA 0.605 53.880 53.050 0.375 0.000 0.893 633 N CB -0.010 38.573 38.487 0.160 0.000 0.967 633 N HN 0.100 nan 8.380 nan 0.000 0.440 634 R N -0.801 119.864 120.500 0.277 0.000 2.426 634 R HA 0.053 4.394 4.340 0.002 0.000 0.263 634 R C -0.718 175.833 176.300 0.418 0.000 0.961 634 R CA -0.204 56.010 56.100 0.190 0.000 1.086 634 R CB 0.193 30.400 30.300 -0.156 0.000 1.186 634 R HN 0.212 nan 8.270 nan 0.000 0.537 635 Y N 2.231 122.762 120.300 0.386 0.000 2.403 635 Y HA 0.066 4.618 4.550 0.002 0.000 0.323 635 Y C 0.435 176.588 175.900 0.422 0.000 1.226 635 Y CA -1.772 56.585 58.100 0.428 0.000 1.235 635 Y CB 0.802 39.453 38.460 0.319 0.000 1.248 635 Y HN 0.119 nan 8.280 nan 0.000 0.489 636 E N 2.977 123.008 120.200 -0.280 0.000 2.459 636 E HA -0.056 4.295 4.350 0.002 0.000 0.264 636 E C 0.485 177.102 176.600 0.028 0.000 1.055 636 E CA 0.055 56.219 56.400 -0.393 0.000 0.957 636 E CB 0.570 29.856 29.700 -0.690 0.000 0.952 636 E HN 0.769 nan 8.360 nan 0.000 0.448 637 I N 1.214 121.778 120.570 -0.010 0.000 2.113 637 I HA -0.332 3.839 4.170 0.002 0.000 0.238 637 I C 2.303 178.496 176.117 0.126 0.000 1.070 637 I CA 1.509 62.876 61.300 0.112 0.000 1.332 637 I CB -0.356 37.702 38.000 0.097 0.000 1.044 637 I HN 0.596 nan 8.210 nan 0.000 0.402 638 M N -0.022 119.591 119.600 0.022 0.000 2.255 638 M HA -0.298 4.183 4.480 0.002 0.000 0.260 638 M C 2.371 178.645 176.300 -0.044 0.000 1.069 638 M CA 2.325 57.559 55.300 -0.110 0.000 1.089 638 M CB -1.193 31.285 32.600 -0.204 0.000 1.269 638 M HN 0.193 nan 8.290 nan 0.000 0.434 639 Y N 0.256 120.546 120.300 -0.017 0.000 2.070 639 Y HA -0.135 4.417 4.550 0.002 0.000 0.279 639 Y C 2.365 178.422 175.900 0.263 0.000 1.134 639 Y CA 1.913 60.106 58.100 0.154 0.000 1.113 639 Y CB -0.998 37.726 38.460 0.441 0.000 0.981 639 Y HN 0.236 nan 8.280 nan 0.000 0.487 640 G N 0.086 109.400 108.800 0.858 0.000 2.599 640 G HA2 -0.354 3.607 3.960 0.002 0.000 0.219 640 G HA3 -0.354 3.607 3.960 0.002 0.000 0.219 640 G C 1.420 176.565 174.900 0.409 0.000 1.193 640 G CA 1.470 47.021 45.100 0.751 0.000 0.778 640 G HN 0.585 nan 8.290 nan 0.000 0.589 641 E N -0.116 120.270 120.200 0.310 0.000 2.204 641 E HA -0.117 4.234 4.350 0.002 0.000 0.195 641 E C 2.478 179.118 176.600 0.067 0.000 0.990 641 E CA 0.535 57.077 56.400 0.237 0.000 0.821 641 E CB -0.117 29.716 29.700 0.221 0.000 0.750 641 E HN 0.478 nan 8.360 nan 0.000 0.477 642 R N 0.543 120.924 120.500 -0.198 0.000 2.080 642 R HA -0.187 4.154 4.340 0.002 0.000 0.236 642 R C 1.751 177.601 176.300 -0.751 0.000 1.137 642 R CA 1.711 57.441 56.100 -0.617 0.000 0.943 642 R CB -0.169 29.428 30.300 -1.171 0.000 0.846 642 R HN 0.229 nan 8.270 nan 0.000 0.431 643 Y N -1.997 118.077 120.300 -0.377 0.000 2.448 643 Y HA 0.072 4.622 4.550 0.002 0.000 0.289 643 Y C 1.750 177.672 175.900 0.037 0.000 1.114 643 Y CA 0.362 58.309 58.100 -0.257 0.000 1.235 643 Y CB 0.086 38.252 38.460 -0.489 0.000 1.045 643 Y HN 0.065 nan 8.280 nan 0.000 0.554 644 F N -0.479 119.469 119.950 -0.004 0.000 2.717 644 F HA 0.107 4.635 4.527 0.002 0.000 0.297 644 F C -0.074 175.766 175.800 0.067 0.000 1.113 644 F CA -0.292 57.631 58.000 -0.128 0.000 1.319 644 F CB 0.727 39.457 39.000 -0.450 0.000 1.097 644 F HN -0.095 nan 8.300 nan 0.000 0.595 645 D N 0.095 120.710 120.400 0.358 0.000 10.807 645 D HA -0.167 4.474 4.640 0.002 0.000 0.359 645 D C -0.302 176.205 176.300 0.345 0.000 3.110 645 D CA 0.713 54.894 54.000 0.302 0.000 2.589 645 D CB -0.068 40.871 40.800 0.231 0.000 1.188 645 D HN 0.283 nan 8.370 nan 0.000 0.949 646 A N 1.672 124.620 122.820 0.215 0.000 2.520 646 A HA 0.323 4.644 4.320 0.002 0.000 0.235 646 A C -0.908 176.651 177.584 -0.042 0.000 1.065 646 A CA 0.192 52.298 52.037 0.115 0.000 0.764 646 A CB 0.132 19.163 19.000 0.051 0.000 1.002 646 A HN 0.429 nan 8.150 nan 0.000 0.502 647 P HA -0.152 nan 4.420 nan 0.000 0.221 647 P C 0.715 177.763 177.300 -0.420 0.000 1.150 647 P CA 1.255 63.732 63.100 -1.038 0.000 0.800 647 P CB 0.199 31.189 31.700 -1.184 0.000 0.787 648 Q N 0.506 120.169 119.800 -0.227 0.000 2.230 648 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 648 Q C 1.944 177.898 176.000 -0.076 0.000 0.963 648 Q CA 1.295 57.023 55.803 -0.126 0.000 0.866 648 Q CB -0.584 28.106 28.738 -0.080 0.000 0.931 648 Q HN 0.572 nan 8.270 nan 0.000 0.452 649 E N -0.814 119.355 120.200 -0.053 0.000 2.474 649 E HA 0.046 4.397 4.350 0.002 0.000 0.195 649 E C -0.066 176.534 176.600 0.000 0.000 1.039 649 E CA 0.131 56.524 56.400 -0.011 0.000 0.881 649 E CB 0.250 29.962 29.700 0.020 0.000 0.970 649 E HN 0.045 nan 8.360 nan 0.000 0.486 650 N N 0.697 119.390 118.700 -0.013 0.000 2.697 650 N HA 0.195 4.936 4.740 0.002 0.000 0.253 650 N C -2.447 173.070 175.510 0.012 0.000 1.604 650 N CA -1.820 51.240 53.050 0.017 0.000 0.772 650 N CB 1.380 39.901 38.487 0.057 0.000 1.267 650 N HN -0.182 nan 8.380 nan 0.000 0.510 651 P HA -0.068 nan 4.420 nan 0.000 0.215 651 P C 0.752 178.061 177.300 0.014 0.000 1.157 651 P CA 1.288 64.371 63.100 -0.028 0.000 0.863 651 P CB 0.467 32.149 31.700 -0.030 0.000 0.787 652 E N -0.665 119.544 120.200 0.015 0.000 2.077 652 E HA -0.108 4.243 4.350 0.002 0.000 0.193 652 E C 2.308 178.932 176.600 0.041 0.000 0.989 652 E CA 1.258 57.676 56.400 0.030 0.000 0.800 652 E CB -0.945 28.771 29.700 0.027 0.000 0.746 652 E HN 0.229 nan 8.360 nan 0.000 0.452 653 G N 0.424 109.230 108.800 0.010 0.000 2.459 653 G HA2 -0.279 3.682 3.960 0.002 0.000 0.217 653 G HA3 -0.279 3.682 3.960 0.002 0.000 0.217 653 G C 1.187 176.018 174.900 -0.115 0.000 1.183 653 G CA 0.846 45.953 45.100 0.013 0.000 0.776 653 G HN 0.220 nan 8.290 nan 0.000 0.552 654 Y N 1.219 121.200 120.300 -0.532 0.000 2.181 654 Y HA -0.106 4.445 4.550 0.002 0.000 0.288 654 Y C 2.800 178.686 175.900 -0.023 0.000 1.146 654 Y CA 1.535 59.370 58.100 -0.441 0.000 1.164 654 Y CB -0.007 38.219 38.460 -0.390 0.000 0.982 654 Y HN 0.147 nan 8.280 nan 0.000 0.515 655 D N -0.497 119.989 120.400 0.144 0.000 2.144 655 D HA -0.159 4.482 4.640 0.002 0.000 0.199 655 D C 2.201 178.591 176.300 0.149 0.000 0.984 655 D CA 1.305 55.385 54.000 0.133 0.000 0.834 655 D CB -0.489 40.360 40.800 0.082 0.000 0.955 655 D HN 0.348 nan 8.370 nan 0.000 0.465 656 A N 0.501 123.410 122.820 0.148 0.000 2.015 656 A HA 0.052 4.373 4.320 0.002 0.000 0.219 656 A C 2.133 179.847 177.584 0.216 0.000 1.163 656 A CA 1.799 53.926 52.037 0.151 0.000 0.646 656 A CB -0.272 18.807 19.000 0.131 0.000 0.806 656 A HN 0.228 nan 8.150 nan 0.000 0.448 657 A N -0.732 122.280 122.820 0.320 0.000 2.220 657 A HA 0.127 4.448 4.320 0.002 0.000 0.211 657 A C 1.017 178.882 177.584 0.467 0.000 1.176 657 A CA 0.027 52.344 52.037 0.467 0.000 0.834 657 A CB -0.320 19.005 19.000 0.541 0.000 0.868 657 A HN 0.371 nan 8.150 nan 0.000 0.488 658 N N 1.833 120.737 118.700 0.341 0.000 2.454 658 N HA 0.076 4.817 4.740 0.002 0.000 0.285 658 N C 0.749 176.405 175.510 0.243 0.000 1.233 658 N CA 0.037 53.257 53.050 0.283 0.000 1.036 658 N CB -0.149 38.467 38.487 0.215 0.000 1.423 658 N HN 0.448 nan 8.380 nan 0.000 0.495 659 L N 2.534 123.917 121.223 0.267 0.000 2.261 659 L HA -0.188 4.153 4.340 0.002 0.000 0.216 659 L C 1.924 178.980 176.870 0.310 0.000 1.114 659 L CA 0.717 55.702 54.840 0.241 0.000 0.777 659 L CB -0.217 41.927 42.059 0.142 0.000 0.910 659 L HN 0.521 nan 8.230 nan 0.000 0.440 660 L N -0.189 121.192 121.223 0.263 0.000 2.131 660 L HA -0.206 4.136 4.340 0.002 0.000 0.210 660 L C 2.481 179.415 176.870 0.106 0.000 1.092 660 L CA 1.291 56.248 54.840 0.196 0.000 0.759 660 L CB -0.436 41.699 42.059 0.127 0.000 0.903 660 L HN 0.258 nan 8.230 nan 0.000 0.435 661 K N 0.104 120.572 120.400 0.114 0.000 2.288 661 K HA -0.039 4.282 4.320 0.002 0.000 0.201 661 K C 1.114 177.752 176.600 0.063 0.000 1.048 661 K CA 0.763 57.094 56.287 0.073 0.000 0.956 661 K CB 0.116 32.664 32.500 0.081 0.000 0.746 661 K HN 0.311 nan 8.250 nan 0.000 0.461 662 R N -0.417 120.142 120.500 0.098 0.000 2.662 662 R HA 0.254 4.595 4.340 0.002 0.000 0.396 662 R C 1.101 177.459 176.300 0.097 0.000 1.096 662 R CA -0.115 56.034 56.100 0.081 0.000 1.081 662 R CB 0.835 31.183 30.300 0.080 0.000 1.382 662 R HN 0.032 nan 8.270 nan 0.000 0.580 663 A N 0.772 123.624 122.820 0.053 0.000 1.972 663 A HA -0.083 4.238 4.320 0.002 0.000 0.219 663 A C 2.162 179.701 177.584 -0.074 0.000 1.169 663 A CA 1.735 53.729 52.037 -0.071 0.000 0.635 663 A CB -0.606 18.146 19.000 -0.412 0.000 0.810 663 A HN 0.457 nan 8.150 nan 0.000 0.446 664 G N -0.554 108.211 108.800 -0.057 0.000 2.498 664 G HA2 -0.158 3.803 3.960 0.002 0.000 0.219 664 G HA3 -0.158 3.803 3.960 0.002 0.000 0.219 664 G C 0.746 175.645 174.900 -0.001 0.000 1.119 664 G CA 1.021 46.093 45.100 -0.045 0.000 0.766 664 G HN 0.480 nan 8.290 nan 0.000 0.552 665 D N -0.392 120.024 120.400 0.028 0.000 2.340 665 D HA 0.044 4.685 4.640 0.002 0.000 0.220 665 D C 0.767 177.107 176.300 0.068 0.000 1.039 665 D CA -0.244 53.783 54.000 0.044 0.000 0.866 665 D CB 0.272 41.097 40.800 0.041 0.000 0.913 665 D HN 0.240 nan 8.370 nan 0.000 0.523 666 L N 2.011 123.282 121.223 0.079 0.000 2.433 666 L HA 0.075 4.416 4.340 0.002 0.000 0.284 666 L C 1.324 178.252 176.870 0.097 0.000 1.120 666 L CA 0.235 55.141 54.840 0.109 0.000 0.879 666 L CB 0.071 42.214 42.059 0.139 0.000 1.232 666 L HN -0.106 nan 8.230 nan 0.000 0.454 667 K N 2.806 123.266 120.400 0.099 0.000 2.370 667 K HA 0.354 4.675 4.320 0.002 0.000 0.194 667 K C 0.793 177.453 176.600 0.099 0.000 1.070 667 K CA 0.294 56.638 56.287 0.095 0.000 0.998 667 K CB 0.139 32.687 32.500 0.080 0.000 0.911 667 K HN 0.589 nan 8.250 nan 0.000 0.533 668 G N 1.331 110.198 108.800 0.112 0.000 2.510 668 G HA2 0.287 4.248 3.960 0.002 0.000 0.280 668 G HA3 0.287 4.248 3.960 0.002 0.000 0.280 668 G C -0.738 174.221 174.900 0.097 0.000 1.386 668 G CA -0.759 44.407 45.100 0.111 0.000 1.047 668 G HN -0.000 nan 8.290 nan 0.000 0.527 669 R N -0.343 120.205 120.500 0.079 0.000 2.229 669 R HA 0.474 4.815 4.340 0.002 0.000 0.332 669 R C -1.205 175.203 176.300 0.181 0.000 0.989 669 R CA -0.677 55.451 56.100 0.047 0.000 0.842 669 R CB 0.716 30.880 30.300 -0.227 0.000 1.119 669 R HN 0.295 nan 8.270 nan 0.000 0.456 670 L N 3.219 124.550 121.223 0.180 0.000 2.410 670 L HA 0.584 4.925 4.340 0.002 0.000 0.270 670 L C -0.922 175.945 176.870 -0.005 0.000 0.983 670 L CA -0.442 54.466 54.840 0.112 0.000 0.822 670 L CB 1.980 44.092 42.059 0.090 0.000 1.285 670 L HN 0.630 nan 8.230 nan 0.000 0.409 671 M N 5.181 124.619 119.600 -0.269 0.000 2.181 671 M HA 0.517 4.998 4.480 0.002 0.000 0.323 671 M C -1.776 174.422 176.300 -0.170 0.000 1.004 671 M CA -0.705 54.380 55.300 -0.358 0.000 0.941 671 M CB 1.189 33.212 32.600 -0.961 0.000 1.579 671 M HN 0.579 nan 8.290 nan 0.000 0.427 672 L N 6.088 127.340 121.223 0.049 0.000 2.334 672 L HA 0.584 4.925 4.340 0.002 0.000 0.277 672 L C -0.491 176.413 176.870 0.057 0.000 1.075 672 L CA 0.024 54.908 54.840 0.074 0.000 0.804 672 L CB 1.477 43.696 42.059 0.267 0.000 1.174 672 L HN 0.640 nan 8.230 nan 0.000 0.438 673 I N 1.676 122.174 120.570 -0.120 0.000 2.545 673 I HA 0.433 4.604 4.170 0.002 0.000 0.292 673 I C -0.883 175.151 176.117 -0.138 0.000 1.040 673 I CA -0.619 60.626 61.300 -0.090 0.000 1.068 673 I CB 2.047 40.060 38.000 0.022 0.000 1.251 673 I HN 0.617 nan 8.210 nan 0.000 0.424 674 H N 2.086 121.115 119.070 -0.069 0.000 3.012 674 H HA 0.521 5.078 4.556 0.002 0.000 0.367 674 H C -0.380 174.923 175.328 -0.041 0.000 1.211 674 H CA -0.760 55.260 56.048 -0.046 0.000 1.139 674 H CB 2.377 32.155 29.762 0.027 0.000 1.838 674 H HN 0.719 nan 8.280 nan 0.000 0.550 675 G N 1.134 110.112 108.800 0.296 0.000 2.329 675 G HA2 0.417 4.378 3.960 0.002 0.000 0.309 675 G HA3 0.417 4.378 3.960 0.002 0.000 0.309 675 G C 0.890 175.616 174.900 -0.290 0.000 1.110 675 G CA 0.138 45.303 45.100 0.110 0.000 0.923 675 G HN 0.832 nan 8.290 nan 0.000 0.430 676 A N 3.320 125.739 122.820 -0.669 0.000 1.915 676 A HA -0.207 4.114 4.320 0.002 0.000 0.220 676 A C 2.002 179.326 177.584 -0.432 0.000 1.198 676 A CA 1.808 53.152 52.037 -1.156 0.000 0.647 676 A CB -0.456 17.967 19.000 -0.961 0.000 0.825 676 A HN 1.229 nan 8.150 nan 0.000 0.456 677 I N -2.889 117.582 120.570 -0.165 0.000 3.862 677 I HA 0.214 4.385 4.170 0.002 0.000 0.328 677 I C -0.226 175.909 176.117 0.030 0.000 1.474 677 I CA -0.524 60.761 61.300 -0.024 0.000 1.215 677 I CB -0.325 37.681 38.000 0.009 0.000 1.183 677 I HN 0.010 nan 8.210 nan 0.000 0.413 678 D N 4.619 125.038 120.400 0.031 0.000 2.382 678 D HA 0.088 4.729 4.640 0.002 0.000 0.259 678 D C -1.455 174.902 176.300 0.094 0.000 1.224 678 D CA -1.929 52.156 54.000 0.142 0.000 0.894 678 D CB 1.372 42.336 40.800 0.274 0.000 1.127 678 D HN 0.247 nan 8.370 nan 0.000 0.487 679 P HA 0.022 nan 4.420 nan 0.000 0.267 679 P C 1.035 178.367 177.300 0.052 0.000 1.289 679 P CA -0.071 63.066 63.100 0.062 0.000 0.866 679 P CB 0.860 32.626 31.700 0.109 0.000 1.309 680 V N -0.230 119.707 119.914 0.038 0.000 2.403 680 V HA 0.036 4.157 4.120 0.002 0.000 0.239 680 V C 1.229 177.308 176.094 -0.025 0.000 1.041 680 V CA 1.073 63.353 62.300 -0.032 0.000 1.051 680 V CB -0.098 31.514 31.823 -0.352 0.000 0.704 680 V HN -0.183 nan 8.190 nan 0.000 0.472 681 V N 3.254 123.211 119.914 0.071 0.000 2.284 681 V HA 0.317 4.438 4.120 0.002 0.000 0.274 681 V C -0.199 176.068 176.094 0.289 0.000 1.023 681 V CA -0.850 61.551 62.300 0.168 0.000 0.808 681 V CB 1.232 33.148 31.823 0.154 0.000 1.035 681 V HN 0.333 nan 8.190 nan 0.000 0.445 682 V N 2.322 122.290 119.914 0.091 0.000 2.681 682 V HA -0.033 4.088 4.120 0.002 0.000 0.306 682 V C 1.390 177.581 176.094 0.162 0.000 1.077 682 V CA 0.147 62.466 62.300 0.031 0.000 1.224 682 V CB -0.004 31.717 31.823 -0.169 0.000 0.879 682 V HN 0.945 nan 8.190 nan 0.000 0.494 683 W N 2.996 124.119 121.300 -0.294 0.000 2.290 683 W HA -0.303 4.358 4.660 0.002 0.000 0.311 683 W C 2.496 178.922 176.519 -0.154 0.000 1.238 683 W CA 2.467 59.484 57.345 -0.546 0.000 1.255 683 W CB -0.683 28.590 29.460 -0.312 0.000 1.145 683 W HN 1.004 nan 8.180 nan 0.000 0.506 684 Q N -1.222 118.603 119.800 0.041 0.000 2.182 684 Q HA -0.337 4.004 4.340 0.002 0.000 0.213 684 Q C 2.284 178.271 176.000 -0.021 0.000 1.000 684 Q CA 2.355 58.102 55.803 -0.093 0.000 0.889 684 Q CB -0.800 27.847 28.738 -0.152 0.000 0.932 684 Q HN 0.375 nan 8.270 nan 0.000 0.415 685 H N -0.164 118.963 119.070 0.095 0.000 2.252 685 H HA -0.141 4.416 4.556 0.002 0.000 0.292 685 H C 2.550 177.978 175.328 0.166 0.000 1.082 685 H CA 2.251 58.368 56.048 0.115 0.000 1.229 685 H CB -0.566 29.272 29.762 0.128 0.000 1.353 685 H HN 0.549 nan 8.280 nan 0.000 0.488 686 S N 0.626 116.604 115.700 0.464 0.000 2.402 686 S HA -0.058 4.413 4.470 0.002 0.000 0.229 686 S C 2.460 177.185 174.600 0.208 0.000 1.021 686 S CA 0.683 59.128 58.200 0.408 0.000 0.974 686 S CB -0.675 62.936 63.200 0.685 0.000 0.800 686 S HN 0.225 nan 8.310 nan 0.000 0.484 687 L N 0.762 122.041 121.223 0.094 0.000 2.027 687 L HA 0.007 4.348 4.340 0.002 0.000 0.206 687 L C 2.652 179.440 176.870 -0.137 0.000 1.074 687 L CA 1.199 55.942 54.840 -0.163 0.000 0.745 687 L CB -0.608 41.244 42.059 -0.346 0.000 0.898 687 L HN 0.297 nan 8.230 nan 0.000 0.433 688 L N -1.414 119.769 121.223 -0.066 0.000 2.131 688 L HA -0.253 4.088 4.340 0.002 0.000 0.210 688 L C 2.548 179.403 176.870 -0.025 0.000 1.092 688 L CA 1.088 55.892 54.840 -0.061 0.000 0.759 688 L CB -0.464 41.572 42.059 -0.038 0.000 0.903 688 L HN 0.201 nan 8.230 nan 0.000 0.435 689 F N 0.715 120.619 119.950 -0.078 0.000 2.102 689 F HA -0.228 4.300 4.527 0.002 0.000 0.298 689 F C 2.261 177.983 175.800 -0.130 0.000 1.105 689 F CA 1.477 59.432 58.000 -0.074 0.000 1.239 689 F CB -0.263 38.713 39.000 -0.041 0.000 0.991 689 F HN -0.131 nan 8.300 nan 0.000 0.474 690 L N -0.099 121.005 121.223 -0.199 0.000 2.043 690 L HA -0.276 4.065 4.340 0.002 0.000 0.212 690 L C 2.188 178.858 176.870 -0.334 0.000 1.075 690 L CA 2.115 56.758 54.840 -0.328 0.000 0.752 690 L CB -1.021 40.805 42.059 -0.389 0.000 0.891 690 L HN 0.188 nan 8.230 nan 0.000 0.432 691 D N -0.073 120.167 120.400 -0.267 0.000 2.104 691 D HA -0.184 4.457 4.640 0.002 0.000 0.194 691 D C 2.154 178.304 176.300 -0.250 0.000 0.994 691 D CA 1.435 55.299 54.000 -0.227 0.000 0.830 691 D CB 0.128 40.822 40.800 -0.177 0.000 0.959 691 D HN 0.273 nan 8.370 nan 0.000 0.452 692 A N -0.515 122.132 122.820 -0.289 0.000 1.933 692 A HA -0.179 4.142 4.320 0.002 0.000 0.218 692 A C 2.493 179.854 177.584 -0.372 0.000 1.175 692 A CA 1.453 53.312 52.037 -0.297 0.000 0.628 692 A CB -0.932 17.888 19.000 -0.300 0.000 0.814 692 A HN 0.504 nan 8.150 nan 0.000 0.444 693 C N -1.303 117.691 119.300 -0.510 0.000 2.440 693 C HA -0.021 4.440 4.460 0.002 0.000 0.278 693 C C 2.712 177.458 174.990 -0.406 0.000 1.295 693 C CA 0.897 59.620 59.018 -0.491 0.000 1.738 693 C CB -1.142 26.270 27.740 -0.547 0.000 1.987 693 C HN 0.475 nan 8.230 nan 0.000 0.492 694 V N 1.061 120.772 119.914 -0.339 0.000 2.343 694 V HA -0.216 3.905 4.120 0.002 0.000 0.247 694 V C 2.230 178.187 176.094 -0.228 0.000 1.051 694 V CA 1.885 64.018 62.300 -0.279 0.000 1.036 694 V CB -0.535 31.166 31.823 -0.204 0.000 0.654 694 V HN 0.590 nan 8.190 nan 0.000 0.451 695 K N 0.081 120.360 120.400 -0.202 0.000 2.361 695 K HA 0.231 4.552 4.320 0.002 0.000 0.196 695 K C 1.843 178.356 176.600 -0.145 0.000 1.039 695 K CA 0.853 57.050 56.287 -0.150 0.000 1.001 695 K CB -0.029 32.395 32.500 -0.126 0.000 0.795 695 K HN 0.444 nan 8.250 nan 0.000 0.495 696 A N 0.694 123.402 122.820 -0.187 0.000 2.267 696 A HA 0.101 4.422 4.320 0.002 0.000 0.213 696 A C 0.064 177.550 177.584 -0.164 0.000 1.192 696 A CA -0.150 51.794 52.037 -0.155 0.000 0.851 696 A CB 0.196 19.095 19.000 -0.168 0.000 0.881 696 A HN 0.139 nan 8.150 nan 0.000 0.494 697 R N 0.313 120.670 120.500 -0.239 0.000 3.322 697 R HA -0.116 4.225 4.340 0.002 0.000 0.266 697 R C -0.250 175.805 176.300 -0.409 0.000 1.072 697 R CA 1.217 57.142 56.100 -0.292 0.000 0.715 697 R CB -3.180 27.074 30.300 -0.076 0.000 1.199 697 R HN 0.788 nan 8.270 nan 0.000 0.421 698 T N -2.934 111.285 114.554 -0.559 0.000 2.932 698 T HA 0.734 5.085 4.350 0.002 0.000 0.289 698 T C -0.233 174.069 174.700 -0.663 0.000 1.039 698 T CA -0.700 61.164 62.100 -0.392 0.000 1.024 698 T CB 1.777 70.534 68.868 -0.184 0.000 1.090 698 T HN 0.165 nan 8.240 nan 0.000 0.496 699 Y N 1.774 122.058 120.300 -0.027 0.000 2.805 699 Y HA 0.432 4.983 4.550 0.002 0.000 0.339 699 Y C -2.215 173.694 175.900 0.014 0.000 1.012 699 Y CA -2.282 55.808 58.100 -0.016 0.000 1.262 699 Y CB 0.795 39.250 38.460 -0.007 0.000 1.100 699 Y HN 0.554 nan 8.280 nan 0.000 0.559 700 P HA 0.321 nan 4.420 nan 0.000 0.281 700 P C -0.624 176.753 177.300 0.128 0.000 1.281 700 P CA -0.302 62.873 63.100 0.126 0.000 0.811 700 P CB 2.074 33.863 31.700 0.147 0.000 1.154 701 D N -1.256 119.225 120.400 0.135 0.000 2.506 701 D HA 0.467 5.108 4.640 0.002 0.000 0.254 701 D C -0.990 175.442 176.300 0.220 0.000 1.089 701 D CA 0.195 54.290 54.000 0.159 0.000 1.050 701 D CB 1.208 42.114 40.800 0.177 0.000 1.221 701 D HN 0.313 nan 8.370 nan 0.000 0.589 702 Y N -0.419 119.906 120.300 0.042 0.000 2.641 702 Y HA 0.424 4.975 4.550 0.002 0.000 0.333 702 Y C -2.029 173.941 175.900 0.116 0.000 1.174 702 Y CA -0.890 57.246 58.100 0.060 0.000 1.057 702 Y CB 1.347 39.845 38.460 0.064 0.000 1.322 702 Y HN 0.374 nan 8.280 nan 0.000 0.457 703 Y N 2.446 122.510 120.300 -0.393 0.000 2.480 703 Y HA 0.665 5.216 4.550 0.002 0.000 0.329 703 Y C -1.939 173.664 175.900 -0.494 0.000 1.127 703 Y CA -0.873 57.022 58.100 -0.341 0.000 1.037 703 Y CB 1.632 39.990 38.460 -0.171 0.000 1.320 703 Y HN 0.469 nan 8.280 nan 0.000 0.446 704 V N 5.710 125.157 119.914 -0.778 0.000 2.604 704 V HA 0.370 4.491 4.120 0.002 0.000 0.305 704 V C -1.437 174.410 176.094 -0.411 0.000 1.043 704 V CA -0.884 61.147 62.300 -0.450 0.000 0.888 704 V CB 1.893 33.512 31.823 -0.341 0.000 0.995 704 V HN 0.647 nan 8.190 nan 0.000 0.429 705 Y N 5.094 125.366 120.300 -0.047 0.000 2.721 705 Y HA 0.339 4.890 4.550 0.002 0.000 0.328 705 Y C -1.761 174.103 175.900 -0.061 0.000 1.003 705 Y CA -2.040 56.110 58.100 0.083 0.000 1.275 705 Y CB 1.502 40.115 38.460 0.254 0.000 1.097 705 Y HN 0.516 nan 8.280 nan 0.000 0.514 706 P HA -0.158 nan 4.420 nan 0.000 0.219 706 P C 1.116 178.395 177.300 -0.035 0.000 1.146 706 P CA 1.582 64.602 63.100 -0.133 0.000 0.808 706 P CB 0.439 32.039 31.700 -0.168 0.000 0.779 707 S N -2.798 112.924 115.700 0.037 0.000 2.524 707 S HA 0.031 4.502 4.470 0.002 0.000 0.216 707 S C 0.738 175.223 174.600 -0.192 0.000 0.987 707 S CA 0.166 58.360 58.200 -0.011 0.000 0.909 707 S CB -0.487 62.699 63.200 -0.023 0.000 0.781 707 S HN 0.258 nan 8.310 nan 0.000 0.521 708 H N 1.402 120.528 119.070 0.093 0.000 2.496 708 H HA 0.386 4.943 4.556 0.002 0.000 0.342 708 H C 0.614 175.977 175.328 0.058 0.000 1.170 708 H CA -0.196 55.891 56.048 0.064 0.000 1.274 708 H CB 1.048 30.834 29.762 0.040 0.000 1.538 708 H HN 0.261 nan 8.280 nan 0.000 0.542 709 E N 0.281 120.608 120.200 0.211 0.000 3.277 709 E HA -0.047 4.304 4.350 0.002 0.000 0.426 709 E C 1.158 177.926 176.600 0.280 0.000 0.326 709 E CA -0.270 56.245 56.400 0.192 0.000 2.454 709 E CB 0.274 30.075 29.700 0.169 0.000 2.219 709 E HN 0.544 nan 8.360 nan 0.000 0.459 710 H N 0.243 119.429 119.070 0.192 0.000 2.363 710 H HA 0.126 4.683 4.556 0.002 0.000 0.301 710 H C -0.091 175.435 175.328 0.330 0.000 1.074 710 H CA 0.969 57.182 56.048 0.276 0.000 1.354 710 H CB 0.294 30.197 29.762 0.234 0.000 1.397 710 H HN 0.025 nan 8.280 nan 0.000 0.516 711 N N -0.108 118.608 118.700 0.028 0.000 2.269 711 N HA 0.196 4.937 4.740 0.002 0.000 0.304 711 N C -1.321 174.006 175.510 -0.306 0.000 1.072 711 N CA -0.548 52.314 53.050 -0.314 0.000 0.802 711 N CB 2.878 41.137 38.487 -0.381 0.000 1.348 711 N HN -0.133 nan 8.380 nan 0.000 0.484 712 V N 3.401 122.974 119.914 -0.568 0.000 2.370 712 V HA 0.234 4.356 4.120 0.002 0.000 0.257 712 V C 0.543 176.297 176.094 -0.567 0.000 1.064 712 V CA 0.049 61.850 62.300 -0.833 0.000 0.975 712 V CB -0.532 30.638 31.823 -1.088 0.000 1.067 712 V HN 0.489 nan 8.190 nan 0.000 0.485 713 M N 3.542 122.936 119.600 -0.344 0.000 2.537 713 M HA 0.818 5.299 4.480 0.002 0.000 0.324 713 M C 0.723 176.961 176.300 -0.104 0.000 1.187 713 M CA -0.155 55.031 55.300 -0.190 0.000 0.993 713 M CB 1.822 34.367 32.600 -0.091 0.000 1.666 713 M HN 0.749 nan 8.290 nan 0.000 0.461 714 G N 1.524 110.259 108.800 -0.109 0.000 2.660 714 G HA2 -0.136 3.825 3.960 0.002 0.000 0.247 714 G HA3 -0.136 3.825 3.960 0.002 0.000 0.247 714 G C -2.637 172.210 174.900 -0.087 0.000 1.328 714 G CA -0.935 44.126 45.100 -0.066 0.000 0.884 714 G HN 0.508 nan 8.290 nan 0.000 0.531 715 P HA -0.045 nan 4.420 nan 0.000 0.217 715 P C 1.240 178.520 177.300 -0.032 0.000 1.151 715 P CA 1.764 64.838 63.100 -0.042 0.000 0.849 715 P CB -0.058 31.637 31.700 -0.010 0.000 0.787 716 D N -1.387 119.008 120.400 -0.007 0.000 2.271 716 D HA -0.164 4.477 4.640 0.002 0.000 0.207 716 D C 1.901 178.142 176.300 -0.099 0.000 0.983 716 D CA 0.804 54.809 54.000 0.009 0.000 0.878 716 D CB -0.461 40.382 40.800 0.072 0.000 0.920 716 D HN 0.167 nan 8.370 nan 0.000 0.479 717 R N 0.196 120.566 120.500 -0.217 0.000 2.189 717 R HA -0.067 4.274 4.340 0.002 0.000 0.223 717 R C 1.843 177.987 176.300 -0.260 0.000 1.092 717 R CA 0.376 56.282 56.100 -0.324 0.000 0.989 717 R CB 0.065 30.102 30.300 -0.437 0.000 0.876 717 R HN 0.045 nan 8.270 nan 0.000 0.457 718 V N -0.033 119.797 119.914 -0.139 0.000 2.358 718 V HA -0.271 3.850 4.120 0.002 0.000 0.246 718 V C 2.361 178.506 176.094 0.085 0.000 1.047 718 V CA 1.978 64.242 62.300 -0.060 0.000 1.035 718 V CB -0.724 31.086 31.823 -0.021 0.000 0.658 718 V HN 0.501 nan 8.190 nan 0.000 0.452 719 H N -0.278 118.815 119.070 0.038 0.000 2.353 719 H HA -0.141 4.416 4.556 0.002 0.000 0.300 719 H C 2.230 177.646 175.328 0.147 0.000 1.090 719 H CA 2.150 58.261 56.048 0.106 0.000 1.327 719 H CB 0.091 29.947 29.762 0.156 0.000 1.383 719 H HN 0.360 nan 8.280 nan 0.000 0.508 720 L N 0.344 121.703 121.223 0.226 0.000 1.994 720 L HA -0.194 4.147 4.340 0.002 0.000 0.208 720 L C 2.309 179.362 176.870 0.305 0.000 1.071 720 L CA 1.616 56.584 54.840 0.213 0.000 0.745 720 L CB -1.109 40.942 42.059 -0.014 0.000 0.892 720 L HN 0.242 nan 8.230 nan 0.000 0.431 721 Y N -0.649 119.724 120.300 0.121 0.000 2.207 721 Y HA -0.317 4.234 4.550 0.002 0.000 0.287 721 Y C 2.674 178.784 175.900 0.350 0.000 1.156 721 Y CA 0.875 59.166 58.100 0.319 0.000 1.182 721 Y CB -0.012 38.669 38.460 0.368 0.000 0.979 721 Y HN 0.331 nan 8.280 nan 0.000 0.521 722 E N 0.060 120.477 120.200 0.361 0.000 2.077 722 E HA -0.144 4.207 4.350 0.002 0.000 0.193 722 E C 2.047 178.689 176.600 0.069 0.000 0.989 722 E CA 1.988 58.515 56.400 0.211 0.000 0.800 722 E CB -0.351 29.391 29.700 0.069 0.000 0.746 722 E HN 0.240 nan 8.360 nan 0.000 0.452 723 T N 0.836 115.359 114.554 -0.052 0.000 2.643 723 T HA -0.120 4.231 4.350 0.002 0.000 0.264 723 T C 1.965 176.676 174.700 0.019 0.000 1.045 723 T CA 1.625 63.661 62.100 -0.106 0.000 1.155 723 T CB -0.361 68.350 68.868 -0.261 0.000 0.863 723 T HN 0.148 nan 8.240 nan 0.000 0.420 724 I N 1.011 121.620 120.570 0.065 0.000 2.118 724 I HA -0.244 3.927 4.170 0.002 0.000 0.241 724 I C 2.780 179.025 176.117 0.214 0.000 1.070 724 I CA 1.329 62.659 61.300 0.049 0.000 1.327 724 I CB -0.873 37.115 38.000 -0.021 0.000 1.034 724 I HN 0.269 nan 8.210 nan 0.000 0.405 725 T N 0.188 114.905 114.554 0.271 0.000 2.622 725 T HA -0.250 4.101 4.350 0.002 0.000 0.266 725 T C 2.036 176.784 174.700 0.081 0.000 1.047 725 T CA 1.647 63.837 62.100 0.149 0.000 1.159 725 T CB -0.338 68.440 68.868 -0.151 0.000 0.863 725 T HN 0.283 nan 8.240 nan 0.000 0.422 726 R N -0.570 119.964 120.500 0.057 0.000 2.139 726 R HA -0.174 4.167 4.340 0.002 0.000 0.243 726 R C 2.252 178.577 176.300 0.042 0.000 1.145 726 R CA 1.481 57.602 56.100 0.034 0.000 0.976 726 R CB -0.465 29.855 30.300 0.033 0.000 0.866 726 R HN 0.493 nan 8.270 nan 0.000 0.449 727 Y N -0.026 120.236 120.300 -0.062 0.000 2.181 727 Y HA -0.218 4.333 4.550 0.002 0.000 0.288 727 Y C 1.529 177.372 175.900 -0.096 0.000 1.146 727 Y CA 1.797 59.843 58.100 -0.090 0.000 1.164 727 Y CB -0.267 38.072 38.460 -0.202 0.000 0.982 727 Y HN 0.003 nan 8.280 nan 0.000 0.515 728 F N -0.354 119.612 119.950 0.028 0.000 2.163 728 F HA -0.143 4.385 4.527 0.002 0.000 0.297 728 F C 2.735 178.423 175.800 -0.186 0.000 1.094 728 F CA 1.797 59.725 58.000 -0.120 0.000 1.290 728 F CB -1.279 37.548 39.000 -0.289 0.000 1.017 728 F HN 0.088 nan 8.300 nan 0.000 0.483 729 T N -3.144 111.403 114.554 -0.011 0.000 3.007 729 T HA -0.134 4.217 4.350 0.002 0.000 0.270 729 T C 1.384 176.098 174.700 0.022 0.000 1.107 729 T CA 1.552 63.702 62.100 0.084 0.000 1.118 729 T CB -0.328 68.574 68.868 0.056 0.000 0.889 729 T HN 0.066 nan 8.240 nan 0.000 0.506 730 D N 0.485 120.802 120.400 -0.138 0.000 2.201 730 D HA 0.035 4.676 4.640 0.002 0.000 0.209 730 D C 1.924 177.926 176.300 -0.497 0.000 0.961 730 D CA 0.912 54.694 54.000 -0.364 0.000 0.861 730 D CB -0.047 40.404 40.800 -0.582 0.000 0.997 730 D HN 0.546 nan 8.370 nan 0.000 0.486 731 H N -1.186 117.790 119.070 -0.157 0.000 3.046 731 H HA 0.208 4.765 4.556 0.002 0.000 0.262 731 H C 0.593 175.947 175.328 0.042 0.000 1.044 731 H CA -0.309 55.665 56.048 -0.124 0.000 1.209 731 H CB 1.023 30.584 29.762 -0.335 0.000 1.507 731 H HN 0.088 nan 8.280 nan 0.000 0.507 732 L N 0.000 121.389 121.223 0.277 0.000 2.949 732 L HA 0.000 4.341 4.340 0.002 0.000 0.249 732 L CA 0.000 55.074 54.840 0.390 0.000 0.813 732 L CB 0.000 42.425 42.059 0.611 0.000 0.961 732 L HN 0.000 nan 8.230 nan 0.000 0.502